version,id,spin,name,family,flags,external_parameter_count,EXC,VXC,FXC,KXC,LXC,FD_count,FD_max_normalized_error,active_output_values
6.2.2,1,1,Slater exchange,1,135,0,True,True,True,False,False,3,1.0018071999408046e-10,9
6.2.2,1,2,Slater exchange,1,135,0,True,True,True,False,False,6,1.0563156534430734e-10,18
6.2.2,2,1,Wigner,1,135,2,True,True,True,False,False,3,4.276526780725612e-12,9
6.2.2,2,2,Wigner,1,135,2,True,True,True,False,False,6,8.359958445336138e-11,18
6.2.2,3,1,Random Phase Approximation (RPA),1,135,0,True,True,True,False,False,3,1.1681326905417016e-11,9
6.2.2,3,2,Random Phase Approximation (RPA),1,135,0,True,True,True,False,False,6,5.92797302946636e-12,18
6.2.2,4,1,Hedin & Lundqvist,1,135,4,True,True,True,False,False,3,1.048049875808602e-11,9
6.2.2,4,2,Hedin & Lundqvist,1,135,4,True,True,True,False,False,6,5.207441189822306e-12,18
6.2.2,5,1,Gunnarson & Lundqvist,1,135,4,True,True,True,False,False,3,1.4208628943432807e-11,9
6.2.2,5,2,Gunnarson & Lundqvist,1,135,4,True,True,True,False,False,6,3.1872811766040026e-11,18
6.2.2,6,1,Slater's Xalpha,1,135,1,True,True,True,False,False,3,6.83951244679375e-11,9
6.2.2,6,2,Slater's Xalpha,1,135,1,True,True,True,False,False,6,7.350973434546022e-11,18
6.2.2,7,1,"Vosko, Wilk & Nusair (VWN5)",1,135,0,True,True,True,False,False,3,1.1534119895120366e-11,9
6.2.2,7,2,"Vosko, Wilk & Nusair (VWN5)",1,135,0,True,True,True,False,False,6,5.076094545031894e-11,18
6.2.2,8,1,"Vosko, Wilk & Nusair (VWN5_RPA)",1,135,0,True,True,True,False,False,3,1.2220618692277422e-11,9
6.2.2,8,2,"Vosko, Wilk & Nusair (VWN5_RPA)",1,135,0,True,True,True,False,False,6,3.9640662072101656e-11,18
6.2.2,9,1,Perdew & Zunger,1,135,14,True,True,True,False,False,3,1.1010249301300242e-11,9
6.2.2,9,2,Perdew & Zunger,1,135,14,True,True,True,False,False,6,4.318193510918143e-11,18
6.2.2,10,1,Perdew & Zunger (Modified),1,135,14,True,True,True,False,False,3,1.1010249301300242e-11,9
6.2.2,10,2,Perdew & Zunger (Modified),1,135,14,True,True,True,False,False,6,4.318193510918143e-11,18
6.2.2,11,1,Ortiz & Ballone (PZ parametrization),1,135,14,True,True,True,False,False,3,9.570175870908803e-12,9
6.2.2,11,2,Ortiz & Ballone (PZ parametrization),1,135,14,True,True,True,False,False,6,4.491750289311879e-11,18
6.2.2,12,1,Perdew & Wang,1,135,22,True,True,True,False,False,3,1.1341353619130334e-11,9
6.2.2,12,2,Perdew & Wang,1,135,22,True,True,True,False,False,6,4.976692509613222e-11,18
6.2.2,13,1,Perdew & Wang (modified),1,135,22,True,True,True,False,False,3,1.1294418645179457e-11,9
6.2.2,13,2,Perdew & Wang (modified),1,135,22,True,True,True,False,False,6,4.979326647697557e-11,18
6.2.2,14,1,Ortiz & Ballone (PW parametrization),1,135,22,True,True,True,False,False,3,1.1409881043962675e-11,9
6.2.2,14,2,Ortiz & Ballone (PW parametrization),1,135,22,True,True,True,False,False,6,4.772534501237224e-11,18
6.2.2,15,1,AMGB (for 2D systems),1,71,0,True,True,True,False,False,3,3.1199194386478304e-11,9
6.2.2,15,2,AMGB (for 2D systems),1,71,0,True,True,True,False,False,6,9.881261898339395e-11,18
6.2.2,16,1,PRM (for 2D systems),1,71,1,True,True,True,False,False,3,2.414847856822789e-11,9
6.2.2,16,2,PRM (for 2D systems),1,71,1,True,True,True,False,False,6,1.2354355439286089e-11,18
6.2.2,17,1,von Barth & Hedin,1,135,4,True,True,True,False,False,3,1.1746641447691226e-11,9
6.2.2,17,2,von Barth & Hedin,1,135,4,True,True,True,False,False,6,3.992602940758931e-11,18
6.2.2,18,1,"Casula, Sorella & Senatore",1,39,2,True,True,True,False,False,3,3.7461001131526107e-10,9
6.2.2,18,2,"Casula, Sorella & Senatore",1,39,2,True,True,True,False,False,6,3.11329774946623e-10,18
6.2.2,19,1,Slater exchange,1,71,0,True,True,True,False,False,3,1.2376495268328408e-10,9
6.2.2,19,2,Slater exchange,1,71,0,True,True,True,False,False,6,1.3315483648484685e-10,18
6.2.2,20,1,Teter 93,1,135,0,True,True,True,False,False,3,1.0001560278587018e-10,9
6.2.2,20,2,Teter 93,1,135,0,True,True,True,False,False,6,9.220645818974908e-11,18
6.2.2,21,1,Exchange in 1D for an soft-Coulomb interaction,1,39,1,True,True,True,False,False,3,1.563136482412268e-10,9
6.2.2,21,2,Exchange in 1D for an soft-Coulomb interaction,1,39,1,True,True,True,False,False,6,1.749614036043506e-10,18
6.2.2,22,1,Modified LSD (version 1) of Proynov and Salahub,1,135,2,True,True,True,False,False,3,1.3299157591344329e-11,9
6.2.2,22,2,Modified LSD (version 1) of Proynov and Salahub,1,135,2,True,True,True,False,False,6,6.819325615617594e-11,18
6.2.2,23,1,Modified LSD (version 2) of Proynov and Salahub,1,135,2,True,True,True,False,False,3,6.095339652558367e-12,9
6.2.2,23,2,Modified LSD (version 2) of Proynov and Salahub,1,135,2,True,True,True,False,False,6,2.560405444137552e-11,18
6.2.2,24,1,Gombas,1,135,0,True,True,True,False,False,3,1.0387113063225789e-11,9
6.2.2,24,2,Gombas,1,135,0,True,True,True,False,False,6,5.14815318391402e-12,18
6.2.2,25,1,Perdew & Wang (fit to the RPA energy),1,135,22,True,True,True,False,False,3,1.229354236169867e-11,9
6.2.2,25,2,Perdew & Wang (fit to the RPA energy),1,135,22,True,True,True,False,False,6,4.5484929548511694e-11,18
6.2.2,26,1,P-F Loos correlation LDA,1,39,0,True,True,True,False,False,3,9.747120677836748e-11,9
6.2.2,26,2,P-F Loos correlation LDA,1,39,0,True,True,True,False,False,6,4.877113227207415e-11,18
6.2.2,27,1,Ragot-Cortona,1,135,0,True,True,True,False,False,3,1.178573903662717e-11,9
6.2.2,27,2,Ragot-Cortona,1,135,0,True,True,True,False,False,6,3.681809918061653e-11,18
6.2.2,28,1,"Vosko, Wilk & Nusair (VWN1)",1,135,0,True,True,True,False,False,3,1.1496029757932289e-11,9
6.2.2,28,2,"Vosko, Wilk & Nusair (VWN1)",1,135,0,True,True,True,False,False,6,4.3183814397965806e-11,18
6.2.2,29,1,"Vosko, Wilk & Nusair (VWN2)",1,135,0,True,True,True,False,False,3,1.1534119895120366e-11,9
6.2.2,29,2,"Vosko, Wilk & Nusair (VWN2)",1,135,0,True,True,True,False,False,6,5.0094552804099096e-11,18
6.2.2,30,1,"Vosko, Wilk & Nusair (VWN3)",1,135,0,True,True,True,False,False,3,1.1496029757932289e-11,9
6.2.2,30,2,"Vosko, Wilk & Nusair (VWN3)",1,135,0,True,True,True,False,False,6,5.0449993058199685e-11,18
6.2.2,31,1,"Vosko, Wilk & Nusair (VWN4)",1,135,0,True,True,True,False,False,3,1.1534119895120366e-11,9
6.2.2,31,2,"Vosko, Wilk & Nusair (VWN4)",1,135,0,True,True,True,False,False,6,5.149791134230259e-11,18
6.2.2,32,1,Minnesota GAM exhange functional,2,135,16,True,True,True,False,False,6,1.0424149132051298e-10,18
6.2.2,32,2,Minnesota GAM exhange functional,2,135,16,True,True,True,False,False,15,6.551879800094228e-09,63
6.2.2,33,1,Minnesota GAM correlation functional,2,16519,10,True,True,True,False,False,6,1.736497537908527e-08,18
6.2.2,33,2,Minnesota GAM correlation functional,2,16519,10,True,True,True,False,False,15,1.7889710043736515e-07,63
6.2.2,34,1,HCTH-A,2,135,0,True,True,True,False,False,6,4.650769477230157e-10,18
6.2.2,34,2,HCTH-A,2,135,0,True,True,True,False,False,15,4.558209889386368e-08,63
6.2.2,35,1,Engel and Vosko,2,135,6,True,True,True,False,False,6,1.0431449546746463e-10,18
6.2.2,35,2,Engel and Vosko,2,135,6,True,True,True,False,False,15,1.1966912940471311e-08,63
6.2.2,36,1,Dispersionless Density Functional,64,135,0,True,True,True,False,False,9,2.524575727372725e-10,30
6.2.2,36,2,Dispersionless Density Functional,64,135,0,True,True,True,False,False,21,4.0578993861515877e-10,108
6.2.2,37,1,Dispersionless Density Functional,4,135,13,True,True,True,False,False,9,1.0865677556957062e-09,30
6.2.2,37,2,Dispersionless Density Functional,4,135,13,True,True,True,False,False,21,4.245370126625686e-07,108
6.2.2,38,1,"Burke, Cancio, Gould, and Pittalis",2,135,2,True,True,True,False,False,6,1.068558068940554e-10,18
6.2.2,38,2,"Burke, Cancio, Gould, and Pittalis",2,135,2,True,True,True,False,False,15,5.006676022732464e-10,63
6.2.2,39,1,"acGGA, asymptotically corrected GGA correlation",2,135,0,True,True,True,False,False,6,5.09156788682284e-11,18
6.2.2,39,2,"acGGA, asymptotically corrected GGA correlation",2,135,0,True,True,True,False,False,15,1.969643368868699e-10,63
6.2.2,40,1,lambda_OC2(N) version of PBE,2,135,3,True,True,True,False,False,6,1.0602573678620227e-10,18
6.2.2,40,2,lambda_OC2(N) version of PBE,2,135,3,True,True,True,False,False,15,6.832089716278142e-10,63
6.2.2,41,1,Revised Becke 86 with modified gradient correction,2,135,3,True,True,True,False,False,6,1.0321324276573074e-10,18
6.2.2,41,2,Revised Becke 86 with modified gradient correction,2,135,3,True,True,True,False,False,15,1.0921401049972527e-10,63
6.2.2,42,1,"Zhao, Levy & Parr, Eq. (21)",4,32903,0,True,True,True,False,False,12,1.0863352920033034e-10,45
6.2.2,42,2,"Zhao, Levy & Parr, Eq. (21)",4,32903,0,True,True,True,False,False,27,6.024915079412676e-11,165
6.2.2,43,1,"Zhao, Levy & Parr, Eq. (20)",1,135,0,True,True,True,False,False,3,1.0891498020192961e-10,9
6.2.2,43,2,"Zhao, Levy & Parr, Eq. (20)",1,135,0,True,True,True,False,False,6,5.374317514484115e-11,18
6.2.2,44,1,lambda_CH(N) version of PBE,2,135,3,True,True,True,False,False,6,1.0611427823309471e-10,18
6.2.2,44,2,lambda_CH(N) version of PBE,2,135,3,True,True,True,False,False,15,4.163489496615135e-10,63
6.2.2,45,1,lambda_LO(N) version of PBE,2,135,3,True,True,True,False,False,6,1.0590356323913351e-10,18
6.2.2,45,2,lambda_LO(N) version of PBE,2,135,3,True,True,True,False,False,15,3.7417959520368935e-10,63
6.2.2,46,1,HJS screened exchange B88 corrected version,2,135,16,True,True,True,False,False,6,1.1107990617333374e-10,18
6.2.2,46,2,HJS screened exchange B88 corrected version,2,135,16,True,True,True,False,False,15,2.709006826356277e-09,63
6.2.2,47,1,Chiodo et al,2,135,0,True,True,True,False,False,6,1.2119939233831399e-11,18
6.2.2,47,2,Chiodo et al,2,135,0,True,True,True,False,False,15,5.53497658818663e-11,63
6.2.2,48,1,Chiodo et al,2,135,0,True,True,True,False,False,6,1.0312985029378445e-10,18
6.2.2,48,2,Chiodo et al,2,135,0,True,True,True,False,False,15,3.061353568168344e-10,63
6.2.2,49,1,"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",2,135,2,True,True,True,False,False,6,1.0761768845189193e-10,18
6.2.2,49,2,"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",2,135,2,True,True,True,False,False,15,6.350874359524505e-10,63
6.2.2,50,1,Thomas-Fermi kinetic energy,1,135,0,True,True,True,False,False,3,1.434775095491765e-10,9
6.2.2,50,2,Thomas-Fermi kinetic energy,1,135,0,True,True,True,False,False,6,1.5059213345119017e-10,18
6.2.2,51,1,Lee and Parr Gaussian ansatz for the kinetic energy,1,135,0,True,True,True,False,False,3,1.444634218244908e-10,9
6.2.2,51,2,Lee and Parr Gaussian ansatz for the kinetic energy,1,135,0,True,True,True,False,False,6,1.516970076175807e-10,18
6.2.2,52,1,Thomas-Fermi plus von Weiszaecker correction,2,135,2,True,True,True,False,False,6,1.740591879964501e-10,18
6.2.2,52,2,Thomas-Fermi plus von Weiszaecker correction,2,135,2,True,True,True,False,False,15,3.6471255735215273e-10,63
6.2.2,53,1,interpolated version of revAPBE,2,135,0,True,True,True,False,False,6,1.468914148005605e-10,18
6.2.2,53,2,interpolated version of revAPBE,2,135,0,True,True,True,False,False,15,2.746248852660129e-09,63
6.2.2,54,1,interpolated version of APBE,2,135,0,True,True,True,False,False,6,1.4701302297606148e-10,18
6.2.2,54,2,interpolated version of APBE,2,135,0,True,True,True,False,False,15,2.826939767375384e-09,63
6.2.2,55,1,revised APBE,2,135,0,True,True,True,False,False,6,1.477835029819521e-10,18
6.2.2,55,2,revised APBE,2,135,0,True,True,True,False,False,15,2.067898293256841e-10,63
6.2.2,56,1,Armiento & Kuemmel 2013,2,135,2,True,True,True,False,False,6,9.811385797228516e-10,18
6.2.2,56,2,Armiento & Kuemmel 2013,2,135,2,True,True,True,False,False,15,2.066818278385213e-08,63
6.2.2,57,1,"Meyer,  Wang, and Young",2,135,0,True,True,True,False,False,6,1.5081116903312455e-08,18
6.2.2,57,2,"Meyer,  Wang, and Young",2,135,0,True,True,True,False,False,15,9.561531794125831e-09,63
6.2.2,58,1,Berland and Hyldgaard,2,135,0,True,True,True,False,False,6,1.0288414586344488e-10,18
6.2.2,58,2,Berland and Hyldgaard,2,135,0,True,True,True,False,False,15,1.0809963538572985e-10,63
6.2.2,59,1,PBE revised by Tognetti et al,2,135,2,True,True,True,False,False,6,1.0608936882290801e-10,18
6.2.2,59,2,PBE revised by Tognetti et al,2,135,2,True,True,True,False,False,15,1.6595812232613131e-10,63
6.2.2,60,1,PBE for hybrid interfaces,2,135,4,True,True,True,False,False,6,1.0349975424509339e-10,18
6.2.2,60,2,PBE for hybrid interfaces,2,135,4,True,True,True,False,False,15,1.9244549506144562e-10,63
6.2.2,61,1,spin-dependent gradient correction to PBEint,2,135,0,True,True,True,False,False,6,8.16895891562055e-12,18
6.2.2,61,2,spin-dependent gradient correction to PBEint,2,135,0,True,True,True,False,False,15,4.930529900645841e-11,63
6.2.2,62,1,PBE for hybrid interfaces,2,135,3,True,True,True,False,False,6,8.168938329149084e-12,18
6.2.2,62,2,PBE for hybrid interfaces,2,135,3,True,True,True,False,False,15,4.94601099149521e-11,63
6.2.2,63,1,spin-dependent gradient correction to PBEsol,2,135,0,True,True,True,False,False,6,5.483767564060984e-12,18
6.2.2,63,2,spin-dependent gradient correction to PBEsol,2,135,0,True,True,True,False,False,15,4.943371796757893e-11,63
6.2.2,64,1,oTPSS-D functional of Goerigk and Grimme,4,135,0,True,True,True,False,False,9,8.906021985872415e-11,30
6.2.2,64,2,oTPSS-D functional of Goerigk and Grimme,4,135,0,True,True,True,False,False,21,9.419215159556776e-09,108
6.2.2,65,1,oPBE-D functional of Goerigk and Grimme,2,135,0,True,True,True,False,False,6,1.0180609406653696e-10,18
6.2.2,65,2,oPBE-D functional of Goerigk and Grimme,2,135,0,True,True,True,False,False,15,1.8522106640770403e-10,63
6.2.2,66,1,oPWLYP-D functional of Goerigk and Grimme,2,135,0,True,True,True,False,False,6,3.0805124181341136e-09,18
6.2.2,66,2,oPWLYP-D functional of Goerigk and Grimme,2,135,0,True,True,True,False,False,15,3.188239686764003e-08,63
6.2.2,67,1,oBLYP-D functional of Goerigk and Grimme,2,135,0,True,True,True,False,False,6,1.0608260362912441e-10,18
6.2.2,67,2,oBLYP-D functional of Goerigk and Grimme,2,135,0,True,True,True,False,False,15,6.80512048538181e-09,63
6.2.2,68,1,"VMT{8,4} with constraint satisfaction with mu = mu_GE",2,135,0,True,True,True,False,False,6,8.87695397560933e-10,18
6.2.2,68,2,"VMT{8,4} with constraint satisfaction with mu = mu_GE",2,135,0,True,True,True,False,False,15,8.591562334817963e-10,63
6.2.2,69,1,"VMT{8,4} with constraint satisfaction with mu = mu_PBE",2,135,0,True,True,True,False,False,6,9.380031309915072e-10,18
6.2.2,69,2,"VMT{8,4} with constraint satisfaction with mu = mu_PBE",2,135,0,True,True,True,False,False,15,5.673325660775879e-10,63
6.2.2,70,1,"Vela, Medel, and Trickey with mu = mu_GE",2,135,0,True,True,True,False,False,6,1.0347167845895764e-10,18
6.2.2,70,2,"Vela, Medel, and Trickey with mu = mu_GE",2,135,0,True,True,True,False,False,15,1.0931062057269541e-10,63
6.2.2,71,1,"Vela, Medel, and Trickey with mu = mu_PBE",2,135,0,True,True,True,False,False,6,1.0612490758869675e-10,18
6.2.2,71,2,"Vela, Medel, and Trickey with mu = mu_PBE",2,135,0,True,True,True,False,False,15,2.456953485045079e-10,63
6.2.2,72,1,Colle and Salvetti,4,32903,0,True,True,True,False,False,12,2.1527173399556223e-11,45
6.2.2,72,2,Colle and Salvetti,4,32903,0,True,True,True,False,False,27,1.555783402805887e-10,165
6.2.2,73,1,Minnesota MN12-SX correlation functional,4,135,24,True,True,True,False,False,9,4.172101364496713e-09,30
6.2.2,73,2,Minnesota MN12-SX correlation functional,4,135,24,True,True,True,False,False,21,2.0458919492324757e-09,108
6.2.2,74,1,Minnesota MN12-L correlation functional,4,135,24,True,True,True,False,False,9,1.559090548923745e-09,30
6.2.2,74,2,Minnesota MN12-L correlation functional,4,135,24,True,True,True,False,False,21,7.982018887067947e-10,108
6.2.2,75,1,Minnesota M11-L correlation functional,4,135,24,True,True,True,False,False,9,3.968713185502042e-09,30
6.2.2,75,2,Minnesota M11-L correlation functional,4,135,24,True,True,True,False,False,21,1.8286667951438409e-09,108
6.2.2,76,1,Minnesota M11 correlation functional,4,135,24,True,True,True,False,False,9,3.3426876140772755e-09,30
6.2.2,76,2,Minnesota M11 correlation functional,4,135,24,True,True,True,False,False,21,1.6021656510394787e-09,108
6.2.2,77,1,Minnesota M08-SO correlation functional,4,135,24,True,True,True,False,False,9,1.0303933941803231e-08,30
6.2.2,77,2,Minnesota M08-SO correlation functional,4,135,24,True,True,True,False,False,21,4.801094365271474e-09,108
6.2.2,78,1,Minnesota M08 correlation functional,4,135,24,True,True,True,False,False,9,7.735448588468786e-09,30
6.2.2,78,2,Minnesota M08 correlation functional,4,135,24,True,True,True,False,False,21,3.6357903625189576e-09,108
6.2.2,79,1,Minnesota N12-SX correlation functional,2,135,10,True,True,True,False,False,6,6.420530444211622e-09,18
6.2.2,79,2,Minnesota N12-SX correlation functional,2,135,10,True,True,True,False,False,15,6.974887378468006e-08,63
6.2.2,80,1,Minnesota N12 correlation functional,2,135,10,True,True,True,False,False,6,7.401828301571111e-08,18
6.2.2,80,2,Minnesota N12 correlation functional,2,135,10,True,True,True,False,False,15,1.3977216998594805e-06,63
6.2.2,81,1,Minnesota N12-SX exchange functional,32,391,18,True,True,True,False,False,6,9.411654302879234e-11,18
6.2.2,81,2,Minnesota N12-SX exchange functional,32,391,18,True,True,True,False,False,15,1.581132744335715e-10,63
6.2.2,82,1,Minnesota N12 exchange functional,2,135,16,True,True,True,False,False,6,9.715565107050568e-11,18
6.2.2,82,2,Minnesota N12 exchange functional,2,135,16,True,True,True,False,False,15,9.269233577726448e-09,63
6.2.2,83,1,regularized TPSS correlation,2,135,0,True,True,True,False,False,6,1.0001744948659346e-11,18
6.2.2,83,2,regularized TPSS correlation,2,135,0,True,True,True,False,False,15,4.953543196912012e-11,63
6.2.2,84,1,one-parameter progressive functional (Xalpha version),2,135,0,True,True,True,False,False,6,8.240630697322833e-12,18
6.2.2,84,2,one-parameter progressive functional (Xalpha version),2,135,0,True,True,True,False,False,15,4.6320331595590616e-11,63
6.2.2,85,1,one-parameter progressive functional (G96 version),2,135,0,True,True,True,False,False,6,1.154598010623463e-09,18
6.2.2,85,2,one-parameter progressive functional (G96 version),2,135,0,True,True,True,False,False,15,3.1738343692411916e-08,63
6.2.2,86,1,one-parameter progressive functional (PBE version),2,135,0,True,True,True,False,False,6,6.4627479959963434e-12,18
6.2.2,86,2,one-parameter progressive functional (PBE version),2,135,0,True,True,True,False,False,15,1.21081154677585e-09,63
6.2.2,87,1,one-parameter progressive functional (B88 version),2,135,0,True,True,True,False,False,6,4.237797188556759e-11,18
6.2.2,87,2,one-parameter progressive functional (B88 version),2,135,0,True,True,True,False,False,15,7.334659535913229e-09,63
6.2.2,88,1,Filatov & Thiel correlation,2,135,0,True,True,True,False,False,6,4.63772820538097e-09,18
6.2.2,88,2,Filatov & Thiel correlation,2,135,0,True,True,True,False,False,15,1.533360767861612e-06,63
6.2.2,89,1,PBE correlation to be used with the SSB exchange,2,135,3,True,True,True,False,False,6,3.440540531909511e-11,18
6.2.2,89,2,PBE correlation to be used with the SSB exchange,2,135,3,True,True,True,False,False,15,1.4029111362701798e-10,63
6.2.2,90,1,"Swart, Sola and Bickelhaupt correction to PBE",2,135,5,True,True,True,False,False,6,1.0276304431906247e-10,18
6.2.2,90,2,"Swart, Sola and Bickelhaupt correction to PBE",2,135,5,True,True,True,False,False,15,3.144610579719612e-08,63
6.2.2,91,1,"Swart, Sola and Bickelhaupt",2,135,8,True,True,True,False,False,6,1.372739374686229e-10,18
6.2.2,91,2,"Swart, Sola and Bickelhaupt",2,135,8,True,True,True,False,False,15,3.868664230179987e-08,63
6.2.2,92,1,"Swart, Sola and Bickelhaupt dispersion",2,135,8,True,True,True,False,False,6,1.4849158171102581e-10,18
6.2.2,92,2,"Swart, Sola and Bickelhaupt dispersion",2,135,8,True,True,True,False,False,15,4.4765224227514846e-08,63
6.2.2,93,1,HCTH/407+,2,135,15,True,True,True,False,False,6,1.6052302069783055e-08,18
6.2.2,93,2,HCTH/407+,2,135,15,True,True,True,False,False,15,5.456546746396102e-08,63
6.2.2,94,1,HCTH p=7/6,2,135,15,True,True,True,False,False,6,9.793044250478785e-10,18
6.2.2,94,2,HCTH p=7/6,2,135,15,True,True,True,False,False,15,2.1216727915342528e-07,63
6.2.2,95,1,HCTH p=1/4,2,135,15,True,True,True,False,False,6,7.617161425451368e-09,18
6.2.2,95,2,HCTH p=1/4,2,135,15,True,True,True,False,False,15,2.7761609853137537e-07,63
6.2.2,96,1,Becke 97 GGA-1,2,135,15,True,True,True,False,False,6,1.1442336634120261e-08,18
6.2.2,96,2,Becke 97 GGA-1,2,135,15,True,True,True,False,False,15,4.266876595076445e-07,63
6.2.2,97,1,HCTH-A,2,135,0,True,True,True,False,False,6,3.7196566361960973e-09,18
6.2.2,97,2,HCTH-A,2,135,0,True,True,True,False,False,15,5.11393096661923e-08,63
6.2.2,98,1,BPCCAC (GRAC for the energy),2,135,0,True,True,True,False,False,6,1.0635532556295915e-10,18
6.2.2,98,2,BPCCAC (GRAC for the energy),2,135,0,True,True,True,False,False,15,1.666089359266715e-10,63
6.2.2,99,1,"Tognetti, Cortona, Adamo (revised)",2,135,0,True,True,True,False,False,6,6.368957065296122e-10,18
6.2.2,99,2,"Tognetti, Cortona, Adamo (revised)",2,135,0,True,True,True,False,False,15,2.1886099330893457e-09,63
6.2.2,100,1,"Tognetti, Cortona, Adamo",2,135,0,True,True,True,False,False,6,6.368957282777519e-10,18
6.2.2,100,2,"Tognetti, Cortona, Adamo",2,135,0,True,True,True,False,False,15,2.280998004076524e-09,63
6.2.2,101,1,"Perdew, Burke & Ernzerhof",2,135,2,True,True,True,False,False,6,1.0603659293507671e-10,18
6.2.2,101,2,"Perdew, Burke & Ernzerhof",2,135,2,True,True,True,False,False,15,3.753120177370052e-10,63
6.2.2,102,1,Revised PBE from Zhang & Yang,2,135,2,True,True,True,False,False,6,1.0582290127061231e-10,18
6.2.2,102,2,Revised PBE from Zhang & Yang,2,135,2,True,True,True,False,False,15,1.567117907594096e-10,63
6.2.2,103,1,Becke 86,2,135,3,True,True,True,False,False,6,1.0636493023670289e-10,18
6.2.2,103,2,Becke 86,2,135,3,True,True,True,False,False,15,3.0409328882959734e-10,63
6.2.2,105,1,Becke 86 with modified gradient correction,2,135,3,True,True,True,False,False,6,1.0673718018238574e-10,18
6.2.2,105,2,Becke 86 with modified gradient correction,2,135,3,True,True,True,False,False,15,6.582808718079857e-10,63
6.2.2,106,1,Becke 88,2,135,2,True,True,True,False,False,6,1.06818622196572e-10,18
6.2.2,106,2,Becke 88,2,135,2,True,True,True,False,False,15,6.601623555117415e-09,63
6.2.2,107,1,Gill 96,2,135,0,True,True,True,False,False,6,2.7229445983224127e-09,18
6.2.2,107,2,Gill 96,2,135,0,True,True,True,False,False,15,3.527287298004561e-08,63
6.2.2,108,1,Perdew & Wang 86,2,135,3,True,True,True,False,False,6,1.0863498473617598e-10,18
6.2.2,108,2,Perdew & Wang 86,2,135,3,True,True,True,False,False,15,4.0837760851392455e-08,63
6.2.2,109,1,Perdew & Wang 91,2,135,7,True,True,True,False,False,6,2.2577725416039167e-09,18
6.2.2,109,2,Perdew & Wang 91,2,135,7,True,True,True,False,False,15,1.0709427448807205e-08,63
6.2.2,110,1,Handy & Cohen OPTX 01,2,135,3,True,True,True,False,False,6,1.0310378334971058e-10,18
6.2.2,110,2,Handy & Cohen OPTX 01,2,135,3,True,True,True,False,False,15,6.645008960623068e-09,63
6.2.2,111,1,dePristo & Kress 87 version R1,2,135,3,True,True,True,False,False,6,1.074673115547931e-09,18
6.2.2,111,2,dePristo & Kress 87 version R1,2,135,3,True,True,True,False,False,15,2.8332794686050044e-08,63
6.2.2,112,1,dePristo & Kress 87 version R2,2,135,3,True,True,True,False,False,6,1.0585860048313526e-09,18
6.2.2,112,2,dePristo & Kress 87 version R2,2,135,3,True,True,True,False,False,15,2.7998062978736082e-08,63
6.2.2,113,1,Lacks & Gordon 93,2,135,0,True,True,True,False,False,6,1.4496878770578144e-10,18
6.2.2,113,2,Lacks & Gordon 93,2,135,0,True,True,True,False,False,15,2.571583134098306e-09,63
6.2.2,114,1,Filatov & Thiel 97 (version A),2,135,3,True,True,True,False,False,6,1.0536660312420243e-10,18
6.2.2,114,2,Filatov & Thiel 97 (version A),2,135,3,True,True,True,False,False,15,3.4178459074039397e-10,63
6.2.2,115,1,Filatov & Thiel 97 (version B),2,135,3,True,True,True,False,False,6,1.0517002876277605e-10,18
6.2.2,115,2,Filatov & Thiel 97 (version B),2,135,3,True,True,True,False,False,15,3.3772017190178075e-10,63
6.2.2,116,1,"Perdew, Burke & Ernzerhof SOL",2,135,2,True,True,True,False,False,6,1.0335167513011109e-10,18
6.2.2,116,2,"Perdew, Burke & Ernzerhof SOL",2,135,2,True,True,True,False,False,15,1.0931640902190921e-10,63
6.2.2,117,1,"Hammer, Hansen, and Norskov",2,135,2,True,True,True,False,False,6,1.059773457744841e-10,18
6.2.2,117,2,"Hammer, Hansen, and Norskov",2,135,2,True,True,True,False,False,15,1.292030778468931e-10,63
6.2.2,118,1,Wu & Cohen,2,135,0,True,True,True,False,False,6,1.0601094095673368e-10,18
6.2.2,118,2,Wu & Cohen,2,135,0,True,True,True,False,False,15,2.3425565778740543e-09,63
6.2.2,119,1,mPW91 of Adamo & Barone,2,135,3,True,True,True,False,False,6,2.3042334429262094e-09,18
6.2.2,119,2,mPW91 of Adamo & Barone,2,135,3,True,True,True,False,False,15,1.0933311206617448e-08,63
6.2.2,120,1,Armiento & Mattsson 05,2,135,2,True,True,True,False,False,6,1.0017586119950878e-10,18
6.2.2,120,2,Armiento & Mattsson 05,2,135,2,True,True,True,False,False,15,1.7221583703515956e-09,63
6.2.2,121,1,Madsen 07,2,135,0,True,True,True,False,False,6,1.0579897476170207e-10,18
6.2.2,121,2,Madsen 07,2,135,0,True,True,True,False,False,15,8.413406156242142e-10,63
6.2.2,122,1,Adamo & Barone modification to PBE,2,135,0,True,True,True,False,False,6,1.0593325509614952e-10,18
6.2.2,122,2,Adamo & Barone modification to PBE,2,135,0,True,True,True,False,False,15,2.3918193803820733e-10,63
6.2.2,123,1,Extended PBE by Xu & Goddard III,2,135,2,True,True,True,False,False,6,1.0656385018312233e-10,18
6.2.2,123,2,Extended PBE by Xu & Goddard III,2,135,2,True,True,True,False,False,15,3.3055617292190523e-10,63
6.2.2,124,1,Becke 86 with modified gradient correction for 2D,2,71,0,True,True,True,False,False,6,1.3287669400673274e-10,18
6.2.2,124,2,Becke 86 with modified gradient correction for 2D,2,71,0,True,True,True,False,False,15,1.1749610678754016e-08,63
6.2.2,125,1,Bayesian best fit for the enhancement factor,2,135,0,True,True,True,False,False,6,1.5106237961556724e-10,18
6.2.2,125,2,Bayesian best fit for the enhancement factor,2,135,0,True,True,True,False,False,15,7.794832643626891e-09,63
6.2.2,126,1,"Reparametrized PBE by Pedroza, Silva & Capelle",2,135,2,True,True,True,False,False,6,1.0402291366186863e-10,18
6.2.2,126,2,"Reparametrized PBE by Pedroza, Silva & Capelle",2,135,2,True,True,True,False,False,15,1.563138432099799e-10,63
6.2.2,127,1,Becke 88 in 2D,2,71,0,True,True,True,False,False,6,1.4376919965822258e-09,18
6.2.2,127,2,Becke 88 in 2D,2,71,0,True,True,True,False,False,15,5.9397109470020975e-08,63
6.2.2,128,1,Becke 86 in 2D,2,71,0,True,True,True,False,False,6,1.3242860797419894e-10,18
6.2.2,128,2,Becke 86 in 2D,2,71,0,True,True,True,False,False,15,2.1413885109202722e-10,63
6.2.2,129,1,"Perdew, Burke & Ernzerhof in 2D",2,71,0,True,True,True,False,False,6,2.9285073736361684e-10,18
6.2.2,129,2,"Perdew, Burke & Ernzerhof in 2D",2,71,0,True,True,True,False,False,15,5.734360008703167e-08,63
6.2.2,130,1,"Perdew, Burke & Ernzerhof",2,135,3,True,True,True,False,False,6,1.3262979124400489e-11,18
6.2.2,130,2,"Perdew, Burke & Ernzerhof",2,135,3,True,True,True,False,False,15,5.58664507643657e-11,63
6.2.2,131,1,"Lee, Yang & Parr",2,135,4,True,True,True,False,False,6,7.613906855030903e-12,18
6.2.2,131,2,"Lee, Yang & Parr",2,135,4,True,True,True,False,False,15,1.1241668946390643e-10,63
6.2.2,132,1,Perdew 86,2,135,7,True,True,True,False,False,6,2.588534311060253e-10,18
6.2.2,132,2,Perdew 86,2,135,7,True,True,True,False,False,15,9.265527112245949e-10,63
6.2.2,133,1,"Perdew, Burke & Ernzerhof SOL",2,135,3,True,True,True,False,False,6,5.483767564060984e-12,18
6.2.2,133,2,"Perdew, Burke & Ernzerhof SOL",2,135,3,True,True,True,False,False,15,4.958026903535793e-11,63
6.2.2,134,1,Perdew & Wang 91,2,135,0,True,True,True,False,False,6,5.747269729138902e-10,18
6.2.2,134,2,Perdew & Wang 91,2,135,0,True,True,True,False,False,15,1.7723277144572738e-09,63
6.2.2,135,1,Armiento & Mattsson 05,2,135,2,True,True,True,False,False,6,5.1058872380061346e-11,18
6.2.2,135,2,Armiento & Mattsson 05,2,135,2,True,True,True,False,False,15,1.4999257092090236e-08,63
6.2.2,136,1,Extended PBE by Xu & Goddard III,2,135,3,True,True,True,False,False,6,7.227377187862268e-11,18
6.2.2,136,2,Extended PBE by Xu & Goddard III,2,135,3,True,True,True,False,False,15,3.0016384506066226e-10,63
6.2.2,137,1,Langreth & Mehl,2,135,1,True,True,True,False,False,6,4.094633789793529e-10,18
6.2.2,137,2,Langreth & Mehl,2,135,1,True,True,True,False,False,15,1.2694700834418641e-09,63
6.2.2,138,1,"Reparametrized PBE by Pedroza, Silva & Capelle",2,135,3,True,True,True,False,False,6,5.4875762390659294e-12,18
6.2.2,138,2,"Reparametrized PBE by Pedroza, Silva & Capelle",2,135,3,True,True,True,False,False,15,4.95026837722394e-11,63
6.2.2,139,1,opt-Becke 88 for vdW,2,135,2,True,True,True,False,False,6,1.0563111048366705e-10,18
6.2.2,139,2,opt-Becke 88 for vdW,2,135,2,True,True,True,False,False,15,5.6105317926078014e-09,63
6.2.2,140,1,Reparametrized PBE for vdW,2,135,2,True,True,True,False,False,6,1.0598202007330187e-10,18
6.2.2,140,2,Reparametrized PBE for vdW,2,135,2,True,True,True,False,False,15,2.4832551498578e-10,63
6.2.2,141,1,Reparametrized PBE for vdW,2,135,0,True,True,True,False,False,6,1.0483681877993841e-10,18
6.2.2,141,2,Reparametrized PBE for vdW,2,135,0,True,True,True,False,False,15,1.260243296791747e-10,63
6.2.2,142,1,Regularized PBE,2,135,0,True,True,True,False,False,6,1.0336089189173568e-10,18
6.2.2,142,2,Regularized PBE,2,135,0,True,True,True,False,False,15,1.1187813967179402e-10,63
6.2.2,143,1,Regularized PBE,2,135,3,True,True,True,False,False,6,7.1277541893241475e-12,18
6.2.2,143,2,Regularized PBE,2,135,3,True,True,True,False,False,15,4.960574539753455e-11,63
6.2.2,144,1,Refitted Perdew & Wang 86,2,135,3,True,True,True,False,False,6,1.5553807742486859e-10,18
6.2.2,144,2,Refitted Perdew & Wang 86,2,135,3,True,True,True,False,False,15,4.556740648467275e-08,63
6.2.2,145,1,Exchange part of Keal and Tozer version 1,2,135,2,True,True,True,False,False,6,1.0028065658103098e-10,18
6.2.2,145,2,Exchange part of Keal and Tozer version 1,2,135,2,True,True,True,False,False,15,1.0553072941453917e-10,63
6.2.2,146,1,"Keal and Tozer, version 2",2,135,0,True,True,True,False,False,6,1.0321329182661931e-10,18
6.2.2,146,2,"Keal and Tozer, version 2",2,135,0,True,True,True,False,False,15,1.0069834404722169e-10,63
6.2.2,147,1,Wilson & Levy,2,135,0,True,True,True,False,False,6,2.2847970108778933e-08,18
6.2.2,147,2,Wilson & Levy,2,135,0,True,True,True,False,False,15,1.8512443126988546e-07,63
6.2.2,148,1,Wilson & Ivanov,2,135,5,True,True,True,False,False,6,2.7326905301423014e-11,18
6.2.2,148,2,Wilson & Ivanov,2,135,5,True,True,True,False,False,15,1.2403659941557769e-10,63
6.2.2,149,1,Modified Becke 88 for proton transfer,2,135,2,True,True,True,False,False,6,1.0176071554037906e-10,18
6.2.2,149,2,Modified Becke 88 for proton transfer,2,135,2,True,True,True,False,False,15,7.504243110050173e-10,63
6.2.2,150,1,Second-order generalized gradient approximation,2,135,0,True,True,True,False,False,6,1.0334881904548704e-10,18
6.2.2,150,2,Second-order generalized gradient approximation,2,135,0,True,True,True,False,False,15,1.0885454282103207e-10,63
6.2.2,151,1,Second-order generalized gradient approximation 2011,2,135,14,True,True,True,False,False,6,1.0399004586519791e-10,18
6.2.2,151,2,Second-order generalized gradient approximation 2011,2,135,14,True,True,True,False,False,15,1.4453770780854492e-08,63
6.2.2,152,1,Second-order generalized gradient approximation 2011,2,135,12,True,True,True,False,False,6,2.7077864824163276e-09,18
6.2.2,152,2,Second-order generalized gradient approximation 2011,2,135,12,True,True,True,False,False,15,1.4411668472508158e-08,63
6.2.2,153,1,Wilson & Ivanov initial version,2,135,5,True,True,True,False,False,6,1.49829473028521e-10,18
6.2.2,153,2,Wilson & Ivanov initial version,2,135,5,True,True,True,False,False,15,6.453745918380104e-10,63
6.2.2,154,1,Tozer and Handy v. 1,2,135,21,True,True,True,False,False,6,2.033431818092495e-09,18
6.2.2,154,2,Tozer and Handy v. 1,2,135,21,True,True,True,False,False,15,2.2490437902293673e-08,63
6.2.2,155,1,Tozer and Handy v. 2,2,135,0,True,True,True,False,False,6,4.9919192314300385e-09,18
6.2.2,155,2,Tozer and Handy v. 2,2,135,0,True,True,True,False,False,15,5.5865885993146566e-08,63
6.2.2,156,1,Tozer and Handy v. 3,2,135,0,True,True,True,False,False,6,4.7433712026539965e-09,18
6.2.2,156,2,Tozer and Handy v. 3,2,135,0,True,True,True,False,False,15,5.738982111844144e-08,63
6.2.2,157,1,Tozer and Handy v. 4,2,135,0,True,True,True,False,False,6,4.355889439302494e-09,18
6.2.2,157,2,Tozer and Handy v. 4,2,135,0,True,True,True,False,False,15,5.3097518141615235e-08,63
6.2.2,158,1,C09x to be used with the VdW of Rutgers-Chalmers,2,135,0,True,True,True,False,False,6,1.0298187260686869e-10,18
6.2.2,158,2,C09x to be used with the VdW of Rutgers-Chalmers,2,135,0,True,True,True,False,False,15,1.0850090932146828e-10,63
6.2.2,159,1,To be used with HYB_GGA_X_SOGGA11_X,2,135,12,True,True,True,False,False,6,3.1677166527385505e-10,18
6.2.2,159,2,To be used with HYB_GGA_X_SOGGA11_X,2,135,12,True,True,True,False,False,15,9.841955499024994e-10,63
6.2.2,160,1,van Leeuwen & Baerends,2,134,0,False,True,True,False,False,0,0,15
6.2.2,160,2,van Leeuwen & Baerends,2,134,0,False,True,True,False,False,0,0,60
6.2.2,161,1,HCTH/93,2,135,15,True,True,True,False,False,6,1.945862942116052e-09,18
6.2.2,161,2,HCTH/93,2,135,15,True,True,True,False,False,15,1.7152414912048623e-07,63
6.2.2,162,1,HCTH/120,2,135,15,True,True,True,False,False,6,2.1694391011485617e-10,18
6.2.2,162,2,HCTH/120,2,135,15,True,True,True,False,False,15,1.3865572137666485e-07,63
6.2.2,163,1,HCTH/147,2,135,15,True,True,True,False,False,6,7.464554109733197e-09,18
6.2.2,163,2,HCTH/147,2,135,15,True,True,True,False,False,15,2.3231712338484415e-07,63
6.2.2,164,1,HCTH/407,2,135,15,True,True,True,False,False,6,1.7422985153926568e-08,18
6.2.2,164,2,HCTH/407,2,135,15,True,True,True,False,False,15,5.798989206625012e-07,63
6.2.2,165,1,EDF1,2,135,0,True,True,True,False,False,6,2.2574367343279148e-10,18
6.2.2,165,2,EDF1,2,135,0,True,True,True,False,False,15,1.694191243370975e-08,63
6.2.2,166,1,XLYP,2,135,0,True,True,True,False,False,6,7.487407641499813e-10,18
6.2.2,166,2,XLYP,2,135,0,True,True,True,False,False,15,8.787427484753525e-09,63
6.2.2,167,1,"Keal and Tozer, version 1",2,135,0,True,True,True,False,False,6,1.0000307774381557e-10,18
6.2.2,167,2,"Keal and Tozer, version 1",2,135,0,True,True,True,False,False,15,9.168065191887319e-11,63
6.2.2,168,1,"lsPBE, a PW91-like modification of PBE exchange",2,135,3,True,True,True,False,False,6,1.0590225793929766e-10,18
6.2.2,168,2,"lsPBE, a PW91-like modification of PBE exchange",2,135,3,True,True,True,False,False,15,3.8353476641818756e-10,63
6.2.2,169,1,"lsRPBE, a PW91-like modification of RPBE",2,135,3,True,True,True,False,False,6,1.0616895587854415e-10,18
6.2.2,169,2,"lsRPBE, a PW91-like modification of RPBE",2,135,3,True,True,True,False,False,15,1.2840073679514944e-10,63
6.2.2,170,1,Becke 97-D,2,135,15,True,True,True,False,False,6,1.274276434293275e-08,18
6.2.2,170,2,Becke 97-D,2,135,15,True,True,True,False,False,15,2.138423782759769e-07,63
6.2.2,171,1,Becke 86 reoptimized for use with vdW functional of Dion et al,2,135,3,True,True,True,False,False,6,1.0355084622408935e-10,18
6.2.2,171,2,Becke 86 reoptimized for use with vdW functional of Dion et al,2,135,3,True,True,True,False,False,15,1.0955587295949122e-10,63
6.2.2,172,1,Revised Minnesota M11 correlation functional,4,135,24,True,True,True,False,False,9,3.973386476351205e-10,30
6.2.2,172,2,Revised Minnesota M11 correlation functional,4,135,24,True,True,True,False,False,21,2.2198158185714243e-10,108
6.2.2,173,1,PBE1W,2,135,0,True,True,True,False,False,6,1.0194861170474487e-10,18
6.2.2,173,2,PBE1W,2,135,0,True,True,True,False,False,15,4.239952973577417e-10,63
6.2.2,174,1,mPWLYP1w,2,135,0,True,True,True,False,False,6,2.403789037003889e-09,18
6.2.2,174,2,mPWLYP1w,2,135,0,True,True,True,False,False,15,1.1759825146776638e-08,63
6.2.2,175,1,PBELYP1W,2,135,0,True,True,True,False,False,6,1.0565006427277312e-10,18
6.2.2,175,2,PBELYP1W,2,135,0,True,True,True,False,False,15,3.974628323879408e-10,63
6.2.2,176,1,"acGGA+, asymptotically corrected GGA correlation+",2,135,0,True,True,True,False,False,6,4.569078430621666e-11,18
6.2.2,176,2,"acGGA+, asymptotically corrected GGA correlation+",2,135,0,True,True,True,False,False,15,1.7762416613088661e-10,63
6.2.2,177,1,LDA hybrid exchange (LDA0),128,135,0,True,True,True,False,False,3,8.73231100669729e-11,9
6.2.2,177,2,LDA hybrid exchange (LDA0),128,135,0,True,True,True,False,False,6,7.996782849803504e-11,18
6.2.2,178,1,CAM version of LDA0,128,391,0,True,True,True,False,False,3,8.947120112304388e-11,9
6.2.2,178,2,CAM version of LDA0,128,391,0,True,True,True,False,False,6,7.773281661869745e-11,18
6.2.2,179,1,Becke 88 reoptimized with the 6-311G** basis set,2,135,2,True,True,True,False,False,6,1.2603373515961165e-10,18
6.2.2,179,2,Becke 88 reoptimized with the 6-311G** basis set,2,135,2,True,True,True,False,False,15,8.874840333103292e-09,63
6.2.2,180,1,Nearly correct asymptotic potential,2,135,4,True,True,True,False,False,6,1.063792873189937e-10,18
6.2.2,180,2,Nearly correct asymptotic potential,2,135,4,True,True,True,False,False,15,1.08180413956926e-09,63
6.2.2,181,1,NCAP exchange + P86 correlation,2,135,0,True,True,True,False,False,6,3.7902298646034127e-10,18
6.2.2,181,2,NCAP exchange + P86 correlation,2,135,0,True,True,True,False,False,15,1.3303186235532334e-09,63
6.2.2,182,1,van Leeuwen & Baerends modified,2,134,0,False,True,True,False,False,0,0,15
6.2.2,182,2,van Leeuwen & Baerends modified,2,134,0,False,True,True,False,False,0,0,60
6.2.2,183,1,Exchange form based on Ou-Yang and Levy v.2,2,135,3,True,True,True,False,False,6,5.229301220756729e-08,18
6.2.2,183,2,Exchange form based on Ou-Yang and Levy v.2,2,135,3,True,True,True,False,False,15,4.1382695617534034e-07,63
6.2.2,184,1,mu fixed from the semiclassical neutral atom,2,135,2,True,True,True,False,False,6,1.0716136012167551e-10,18
6.2.2,184,2,mu fixed from the semiclassical neutral atom,2,135,2,True,True,True,False,False,15,5.558692225375819e-10,63
6.2.2,185,1,mu fixed from the semiclassical neutral atom,2,135,0,True,True,True,False,False,6,1.4757288004230046e-10,18
6.2.2,185,2,mu fixed from the semiclassical neutral atom,2,135,0,True,True,True,False,False,15,4.844853617469733e-10,63
6.2.2,186,1,mu fixed from the semiclassical neutral atom,2,135,3,True,True,True,False,False,6,2.1210273853842233e-11,18
6.2.2,186,2,mu fixed from the semiclassical neutral atom,2,135,3,True,True,True,False,False,15,8.521722479056068e-11,63
6.2.2,187,1,Tran and Wesolowski set 1 (Table II),2,135,0,True,True,True,False,False,6,1.4765710365821568e-10,18
6.2.2,187,2,Tran and Wesolowski set 1 (Table II),2,135,0,True,True,True,False,False,15,4.445863039826073e-10,63
6.2.2,188,1,Tran and Wesolowski set 2 (Table II),2,135,0,True,True,True,False,False,6,1.4737072601477254e-10,18
6.2.2,188,2,Tran and Wesolowski set 2 (Table II),2,135,0,True,True,True,False,False,15,6.655105995894126e-10,63
6.2.2,189,1,Tran and Wesolowski set 3 (Table II),2,135,0,True,True,True,False,False,6,1.4755251119334817e-10,18
6.2.2,189,2,Tran and Wesolowski set 3 (Table II),2,135,0,True,True,True,False,False,15,4.1031071259618376e-10,63
6.2.2,190,1,Tran and Wesolowski set 4 (Table II),2,135,0,True,True,True,False,False,6,1.4736984516876722e-10,18
6.2.2,190,2,Tran and Wesolowski set 4 (Table II),2,135,0,True,True,True,False,False,15,3.924119165162524e-10,63
6.2.2,191,1,"Haas, Tran, Blaha, and Schwarz",2,135,0,True,True,True,False,False,6,1.0601094095673368e-10,18
6.2.2,191,2,"Haas, Tran, Blaha, and Schwarz",2,135,0,True,True,True,False,False,15,2.3425566202949843e-09,63
6.2.2,192,1,Constantin et al based on the Airy gas,2,135,0,True,True,True,False,False,6,6.468752684252028e-10,18
6.2.2,192,2,Constantin et al based on the Airy gas,2,135,0,True,True,True,False,False,15,1.320903974364002e-08,63
6.2.2,193,1,Local Airy Gas,2,135,0,True,True,True,False,False,6,1.4278672416360472e-10,18
6.2.2,193,2,Local Airy Gas,2,135,0,True,True,True,False,False,15,6.557934429188834e-09,63
6.2.2,194,1,Functional for organometallic chemistry,2,135,0,True,True,True,False,False,6,1.0042377102418212e-10,18
6.2.2,194,2,Functional for organometallic chemistry,2,135,0,True,True,True,False,False,15,6.771545800107249e-09,63
6.2.2,195,1,Functional for barrier heights,2,135,0,True,True,True,False,False,6,1.0292021890685018e-10,18
6.2.2,195,2,Functional for barrier heights,2,135,0,True,True,True,False,False,15,8.853600575900895e-09,63
6.2.2,196,1,Tozer and Handy v. FL,2,135,21,True,True,True,False,False,6,8.291379099275067e-11,18
6.2.2,196,2,Tozer and Handy v. FL,2,135,21,True,True,True,False,False,15,8.917789430542893e-11,63
6.2.2,197,1,Tozer and Handy v. FC,2,135,21,True,True,True,False,False,6,7.131244048464082e-09,18
6.2.2,197,2,Tozer and Handy v. FC,2,135,21,True,True,True,False,False,15,7.018566233968191e-08,63
6.2.2,198,1,Tozer and Handy v. FCFO,2,135,21,True,True,True,False,False,6,7.131244048464082e-09,18
6.2.2,198,2,Tozer and Handy v. FCFO,2,135,21,True,True,True,False,False,15,7.264088066217774e-08,63
6.2.2,199,1,Tozer and Handy v. FCO,2,135,21,True,True,True,False,False,6,6.327579702814637e-09,18
6.2.2,199,2,Tozer and Handy v. FCO,2,135,21,True,True,True,False,False,15,6.540476851880668e-08,63
6.2.2,200,1,Optimized correlation functional of Cohen and Handy,2,135,2,True,True,True,False,False,6,4.151865617452492e-10,18
6.2.2,200,2,Optimized correlation functional of Cohen and Handy,2,135,2,True,True,True,False,False,15,1.1003680637131282e-08,63
6.2.2,201,1,Local tau approximation,4,135,1,True,True,True,False,False,9,9.495715156780281e-11,30
6.2.2,201,2,Local tau approximation,4,135,1,True,True,True,False,False,21,1.0060929670589398e-10,108
6.2.2,202,1,"Tao, Perdew, Staroverov & Scuseria",4,135,7,True,True,True,False,False,9,8.922196086697447e-11,30
6.2.2,202,2,"Tao, Perdew, Staroverov & Scuseria",4,135,7,True,True,True,False,False,21,1.899261826911623e-08,108
6.2.2,203,1,Minnesota M06-L exchange functional,4,135,18,True,True,True,False,False,9,1.8825321279820667e-09,30
6.2.2,203,2,Minnesota M06-L exchange functional,4,135,18,True,True,True,False,False,21,3.829217841682121e-09,108
6.2.2,204,1,GVT4 (X part of VSXC),4,135,0,True,True,True,False,False,9,9.270916578124727e-10,30
6.2.2,204,2,GVT4 (X part of VSXC),4,135,0,True,True,True,False,False,21,8.494672546551799e-10,108
6.2.2,205,1,tau-HCTH from Boese and Handy,4,135,8,True,True,True,False,False,9,9.914556114325647e-11,30
6.2.2,205,2,tau-HCTH from Boese and Handy,4,135,8,True,True,True,False,False,21,4.845797366978192e-09,108
6.2.2,206,1,"Becke-Roussel 89, gamma = 0.8",4,32903,2,True,True,True,False,False,12,6.790596664544193e-08,45
6.2.2,206,2,"Becke-Roussel 89, gamma = 0.8",4,32903,2,True,True,True,False,False,27,8.049596706838853e-08,165
6.2.2,207,1,Becke & Johnson 06,4,32902,2,False,True,True,False,False,0,0,42
6.2.2,207,2,Becke & Johnson 06,4,32902,2,False,True,True,False,False,0,0,162
6.2.2,208,1,Tran & Blaha 09,4,32902,2,False,True,True,False,False,0,0,42
6.2.2,208,2,Tran & Blaha 09,4,32902,2,False,True,True,False,False,0,0,162
6.2.2,209,1,"Rasanen, Pittalis & Proetto 09",4,32902,2,False,True,True,False,False,0,0,42
6.2.2,209,2,"Rasanen, Pittalis & Proetto 09",4,32902,2,False,True,True,False,False,0,0,162
6.2.2,210,1,Pittalis-Rasanen-Helbig-Gross 2007,4,49223,0,True,True,True,False,False,12,1.291452567272729e-10,45
6.2.2,210,2,Pittalis-Rasanen-Helbig-Gross 2007,4,49223,0,True,True,True,False,False,27,1.3807483914367225e-10,165
6.2.2,211,1,PRHG07 with Pittalis-Rasanen-Proetto 2010 correction,4,49222,0,False,True,True,False,False,0,0,42
6.2.2,211,2,PRHG07 with Pittalis-Rasanen-Proetto 2010 correction,4,49222,0,False,True,True,False,False,0,0,162
6.2.2,212,1,"revised Tao, Perdew, Staroverov & Scuseria",4,135,7,True,True,True,False,False,9,8.882678270242704e-11,30
6.2.2,212,2,"revised Tao, Perdew, Staroverov & Scuseria",4,135,7,True,True,True,False,False,21,1.7302303685923653e-08,108
6.2.2,213,1,"Perdew, Kurth, Zupan, and Blaha",4,135,0,True,True,True,False,False,9,4.2207724402839555e-10,30
6.2.2,213,2,"Perdew, Kurth, Zupan, and Blaha",4,135,0,True,True,True,False,False,21,1.4973830805386684e-09,108
6.2.2,214,1,"Becke-Roussel 89, gamma = 1.0",4,32903,2,True,True,True,False,False,12,6.016505355678867e-08,45
6.2.2,214,2,"Becke-Roussel 89, gamma = 1.0",4,32903,2,True,True,True,False,False,27,5.886858808981565e-08,165
6.2.2,215,1,"Engel, Chevary, Macdonald and Vosko",2,135,6,True,True,True,False,False,6,1.0278820002957925e-09,18
6.2.2,215,2,"Engel, Chevary, Macdonald and Vosko",2,135,6,True,True,True,False,False,15,1.5642058129800967e-08,63
6.2.2,216,1,"Perdew, Burke & Ernzerhof based on VWN correlation",2,135,3,True,True,True,False,False,6,1.3844165068947806e-11,18
6.2.2,216,2,"Perdew, Burke & Ernzerhof based on VWN correlation",2,135,3,True,True,True,False,False,15,5.647022338238729e-11,63
6.2.2,217,1,Perdew 86 with more accurate value for ftilde,2,135,7,True,True,True,False,False,6,2.582340738232428e-10,18
6.2.2,217,2,Perdew 86 with more accurate value for ftilde,2,135,7,True,True,True,False,False,15,9.258349354894398e-10,63
6.2.2,218,1,"RATIONAL$^{p}$ by Lehtomaki and Lopez-Acevedo (by default $p=3/2$, $C_{2}=0.7687$)",2,135,2,True,True,True,False,False,6,1.3041982440751082e-10,18
6.2.2,218,2,"RATIONAL$^{p}$ by Lehtomaki and Lopez-Acevedo (by default $p=3/2$, $C_{2}=0.7687$)",2,135,2,True,True,True,False,False,15,2.5518041765772518e-09,63
6.2.2,219,1,"PG1 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala",2,135,1,True,True,True,False,False,6,1.5699263101875965e-10,18
6.2.2,219,2,"PG1 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala",2,135,1,True,True,True,False,False,15,1.490913577980836e-09,63
6.2.2,220,1,"PGSL025 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala",4,32903,2,True,True,True,False,False,12,1.4931209004697182e-10,45
6.2.2,220,2,"PGSL025 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala",4,32903,2,True,True,True,False,False,27,8.417959694227259e-09,165
6.2.2,221,1,"MS exchange of Sun, Xiao, and Ruzsinszky",4,135,3,True,True,True,False,False,9,1.9637273067387387e-09,30
6.2.2,221,2,"MS exchange of Sun, Xiao, and Ruzsinszky",4,135,3,True,True,True,False,False,21,3.4273000628670467e-09,108
6.2.2,222,1,"MS1 exchange of Sun, et al",4,135,3,True,True,True,False,False,9,1.7284098460732632e-09,30
6.2.2,222,2,"MS1 exchange of Sun, et al",4,135,3,True,True,True,False,False,21,2.9611420366011066e-09,108
6.2.2,223,1,"MS2 exchange of Sun, et al",4,135,3,True,True,True,False,False,9,5.074348055712428e-10,30
6.2.2,223,2,"MS2 exchange of Sun, et al",4,135,3,True,True,True,False,False,21,1.0208748565592477e-09,108
6.2.2,224,1,"MS2 hybrid exchange of Sun, et al",64,135,0,True,True,True,False,False,9,4.852917727576335e-10,30
6.2.2,224,2,"MS2 hybrid exchange of Sun, et al",64,135,0,True,True,True,False,False,21,9.783306332259703e-10,108
6.2.2,225,1,Tsuneda and Hirao,4,16519,0,True,True,True,False,False,9,1.3881270649801523e-09,30
6.2.2,225,2,Tsuneda and Hirao,4,16519,0,True,True,True,False,False,21,2.1342326187726506e-09,108
6.2.2,226,1,Minnesota M11-L exchange functional,4,135,49,True,True,True,False,False,9,4.969435029889333e-09,30
6.2.2,226,2,Minnesota M11-L exchange functional,4,135,49,True,True,True,False,False,21,4.288425368277629e-09,108
6.2.2,227,1,Minnesota MN12-L exchange functional,4,135,40,True,True,True,False,False,9,1.2106929923754278e-09,30
6.2.2,227,2,Minnesota MN12-L exchange functional,4,135,40,True,True,True,False,False,21,1.762407985136449e-09,108
6.2.2,228,1,"MS2 exchange of Sun, et al with revised value for c",4,135,3,True,True,True,False,False,9,5.074310322538368e-10,30
6.2.2,228,2,"MS2 exchange of Sun, et al with revised value for c",4,135,3,True,True,True,False,False,21,1.02091007678479e-09,108
6.2.2,229,1,Cancio and Chou 2006,4,32903,0,True,True,True,False,False,12,9.995475651907207e-11,45
6.2.2,229,2,Cancio and Chou 2006,4,32903,0,True,True,True,False,False,27,9.12947745901763e-11,165
6.2.2,230,1,Exchange for accurate virtual orbital energies,4,49287,1,True,True,True,False,False,12,1.4899673277428905e-09,45
6.2.2,230,2,Exchange for accurate virtual orbital energies,4,49287,1,True,True,True,False,False,27,2.250166915766583e-09,165
6.2.2,231,1,"Tao, Perdew, Staroverov & Scuseria",4,135,6,True,True,True,False,False,9,1.0218742983663738e-11,30
6.2.2,231,2,"Tao, Perdew, Staroverov & Scuseria",4,135,6,True,True,True,False,False,21,5.023792096310158e-11,108
6.2.2,232,1,VSXC (correlation part),4,135,14,True,True,True,False,False,9,2.3636927424738982e-09,30
6.2.2,232,2,VSXC (correlation part),4,135,14,True,True,True,False,False,21,3.432259050797062e-09,108
6.2.2,233,1,Minnesota M06-L correlation functional,4,135,27,True,True,True,False,False,9,8.517892160907073e-09,30
6.2.2,233,2,Minnesota M06-L correlation functional,4,135,27,True,True,True,False,False,21,8.007766241823419e-08,108
6.2.2,234,1,Minnesota M06-HF correlation functional,4,135,27,True,True,True,False,False,9,5.74923946791122e-09,30
6.2.2,234,2,Minnesota M06-HF correlation functional,4,135,27,True,True,True,False,False,21,6.072313283208899e-07,108
6.2.2,235,1,Minnesota M06 correlation functional,4,135,27,True,True,True,False,False,9,1.128033119365394e-08,30
6.2.2,235,2,Minnesota M06 correlation functional,4,135,27,True,True,True,False,False,21,2.6911174330594333e-08,108
6.2.2,236,1,Minnesota M06-2X correlation functional,4,135,27,True,True,True,False,False,9,4.281284305120009e-09,30
6.2.2,236,2,Minnesota M06-2X correlation functional,4,135,27,True,True,True,False,False,21,2.8104903524068323e-07,108
6.2.2,237,1,Minnesota M05 correlation functional,4,135,13,True,True,True,False,False,9,1.2619832237146383e-08,30
6.2.2,237,2,Minnesota M05 correlation functional,4,135,13,True,True,True,False,False,21,3.040246289368067e-07,108
6.2.2,238,1,Minnesota M05-2X correlation functional,4,135,13,True,True,True,False,False,9,2.6675828504969735e-09,30
6.2.2,238,2,Minnesota M05-2X correlation functional,4,135,13,True,True,True,False,False,21,7.016416788673627e-07,108
6.2.2,239,1,"Perdew, Kurth, Zupan, and Blaha",4,135,0,True,True,True,False,False,9,9.237974839308943e-12,30
6.2.2,239,2,"Perdew, Kurth, Zupan, and Blaha",4,135,0,True,True,True,False,False,21,4.661140688464128e-10,108
6.2.2,240,1,Becke correlation 95,4,135,2,True,True,True,False,False,9,4.019482029368233e-10,30
6.2.2,240,2,Becke correlation 95,4,135,2,True,True,True,False,False,21,5.728446297449738e-08,108
6.2.2,241,1,revised TPSS correlation,4,135,5,True,True,True,False,False,9,8.00128970251706e-12,30
6.2.2,241,2,revised TPSS correlation,4,135,5,True,True,True,False,False,21,4.961174480868199e-11,108
6.2.2,242,1,TPSSLYP1W,4,135,0,True,True,True,False,False,9,8.987384384854535e-11,30
6.2.2,242,2,TPSSLYP1W,4,135,0,True,True,True,False,False,21,2.0051063954268178e-08,108
6.2.2,243,1,Exchange for accurate virtual orbital energies (v. B),4,49287,0,True,True,True,False,False,12,1.4901297265728132e-09,45
6.2.2,243,2,Exchange for accurate virtual orbital energies (v. B),4,49287,0,True,True,True,False,False,27,2.250166915766583e-09,165
6.2.2,244,1,functional with balanced localization,4,135,7,True,True,True,False,False,9,8.933575260400907e-11,30
6.2.2,244,2,functional with balanced localization,4,135,7,True,True,True,False,False,21,1.7358225211603208e-08,108
6.2.2,245,1,"Modified Tao, Perdew, Staroverov & Scuseria",4,135,7,True,True,True,False,False,9,8.962373173037966e-11,30
6.2.2,245,2,"Modified Tao, Perdew, Staroverov & Scuseria",4,135,7,True,True,True,False,False,21,1.8780556212462973e-08,108
6.2.2,246,1,Semilocal dynamical correlation,2,135,0,True,True,True,False,False,6,1.596268510752159e-11,18
6.2.2,246,2,Semilocal dynamical correlation,2,135,0,True,True,True,False,False,15,7.421212956383265e-11,63
6.2.2,247,1,Semilocal dynamical correlation,4,135,0,True,True,True,False,False,9,1.975597946620116e-11,30
6.2.2,247,2,Semilocal dynamical correlation,4,135,0,True,True,True,False,False,21,8.121728254143322e-11,108
6.2.2,248,1,Minnesota MN12-SX hybrid exchange functional,64,391,43,True,True,True,False,False,9,2.11699959310909e-09,30
6.2.2,248,2,Minnesota MN12-SX hybrid exchange functional,64,391,43,True,True,True,False,False,21,3.157384899349767e-09,108
6.2.2,249,1,mBEEF exchange,4,135,0,True,True,True,False,False,9,2.6318936996019165e-09,30
6.2.2,249,2,mBEEF exchange,4,135,0,True,True,True,False,False,21,4.001380893240517e-09,108
6.2.2,250,1,mBEEF-vdW exchange,4,135,0,True,True,True,False,False,9,2.103255190300561e-09,30
6.2.2,250,2,mBEEF-vdW exchange,4,135,0,True,True,True,False,False,21,3.878399781675525e-09,108
6.2.2,251,1,Tao and Mo 2016 correlation,4,135,6,True,True,True,False,False,9,1.2103850183283562e-11,30
6.2.2,251,2,Tao and Mo 2016 correlation,4,135,6,True,True,True,False,False,21,5.5242635533326255e-11,108
6.2.2,252,1,Perdew 86 based on VWN5 correlation,2,135,7,True,True,True,False,False,6,2.588534311060253e-10,18
6.2.2,252,2,Perdew 86 based on VWN5 correlation,2,135,7,True,True,True,False,False,15,9.265527112245949e-10,63
6.2.2,253,1,"Perdew 86 based on VWN5 correlation, with more accurate value for ftilde",2,135,7,True,True,True,False,False,6,2.582340738232428e-10,18
6.2.2,253,2,"Perdew 86 based on VWN5 correlation, with more accurate value for ftilde",2,135,7,True,True,True,False,False,15,9.258349354894398e-10,63
6.2.2,254,1,B97M-V exchange-correlation functional,4,1159,15,True,True,True,False,False,9,8.384175223771261e-10,30
6.2.2,254,2,B97M-V exchange-correlation functional,4,1159,15,True,True,True,False,False,21,1.2219980945580923e-08,108
6.2.2,255,1,Vydrov and Van Voorhis,2,1159,2,True,True,True,False,False,6,2.214353386411547e-10,18
6.2.2,255,2,Vydrov and Van Voorhis,2,1159,2,True,True,True,False,False,15,5.286087050315569e-08,63
6.2.2,256,1,Jemmer-Knowles meta-GGA exchange,4,32903,2,True,True,True,False,False,12,3.866387777779695e-09,45
6.2.2,256,2,Jemmer-Knowles meta-GGA exchange,4,32903,2,True,True,True,False,False,27,1.1869106869432086e-07,165
6.2.2,257,1,"MVS exchange of Sun, Perdew, and Ruzsinszky",4,135,4,True,True,True,False,False,9,3.5027602517339627e-10,30
6.2.2,257,2,"MVS exchange of Sun, Perdew, and Ruzsinszky",4,135,4,True,True,True,False,False,21,1.5415978241406316e-09,108
6.2.2,258,1,PBE for formation energies,2,135,3,True,True,True,False,False,6,4.650149943980024e-12,18
6.2.2,258,2,PBE for formation energies,2,135,3,True,True,True,False,False,15,4.956763273029267e-11,63
6.2.2,259,1,"Karasiev, Sjostrom, Dufty & Trickey",1,135,1,True,True,True,False,False,3,9.959365595132352e-11,9
6.2.2,259,2,"Karasiev, Sjostrom, Dufty & Trickey",1,135,1,True,True,True,False,False,6,8.979529119205256e-11,18
6.2.2,260,1,Minnesota MN15-L exchange functional,4,135,40,True,True,True,False,False,9,1.2139596094337803e-09,30
6.2.2,260,2,Minnesota MN15-L exchange functional,4,135,40,True,True,True,False,False,21,1.3120340386092938e-09,108
6.2.2,261,1,Minnesota MN15-L correlation functional,4,135,24,True,True,True,False,False,9,9.680996353737104e-10,30
6.2.2,261,2,Minnesota MN15-L correlation functional,4,135,24,True,True,True,False,False,21,7.185969975004911e-10,108
6.2.2,262,1,one-parameter progressive functional (PW91 version),2,135,0,True,True,True,False,False,6,8.630297620914431e-10,18
6.2.2,262,2,one-parameter progressive functional (PW91 version),2,135,0,True,True,True,False,False,15,1.0652265922962197e-08,63
6.2.2,263,1,"SCAN exchange of Sun, Ruzsinszky, and Perdew",4,135,4,True,True,True,False,False,9,2.64012496027588e-09,30
6.2.2,263,2,"SCAN exchange of Sun, Ruzsinszky, and Perdew",4,135,4,True,True,True,False,False,21,8.651402461350516e-10,108
6.2.2,264,1,SCAN hybrid exchange (SCAN0),64,135,1,True,True,True,False,False,9,2.315310149437047e-09,30
6.2.2,264,2,SCAN hybrid exchange (SCAN0),64,135,1,True,True,True,False,False,21,7.32017118449303e-10,108
6.2.2,265,1,PBE for formation energies,2,135,2,True,True,True,False,False,6,1.0883274621928227e-10,18
6.2.2,265,2,PBE for formation energies,2,135,2,True,True,True,False,False,15,3.253804622108475e-09,63
6.2.2,266,1,version of B97 by Cohen and Handy,32,135,16,True,True,True,False,False,6,8.725861896439502e-09,18
6.2.2,266,2,version of B97 by Cohen and Handy,32,135,16,True,True,True,False,False,15,3.920648050720098e-07,63
6.2.2,267,1,"SCAN correlation of Sun, Ruzsinszky, and Perdew",4,135,0,True,True,True,False,False,9,1.4729821864113353e-09,30
6.2.2,267,2,"SCAN correlation of Sun, Ruzsinszky, and Perdew",4,135,0,True,True,True,False,False,21,4.0741671025627974e-10,108
6.2.2,268,1,Minnesota MN15 hybrid exchange functional,64,135,41,True,True,True,False,False,9,5.625560296077588e-10,30
6.2.2,268,2,Minnesota MN15 hybrid exchange functional,64,135,41,True,True,True,False,False,21,6.54825632251226e-10,108
6.2.2,269,1,Minnesota MN15 correlation functional,4,135,24,True,True,True,False,False,9,1.7910109701192054e-09,30
6.2.2,269,2,Minnesota MN15 correlation functional,4,135,24,True,True,True,False,False,21,7.558082272272685e-10,108
6.2.2,270,1,Correct Asymptotic Potential,2,135,2,True,True,True,False,False,6,1.9684126736588295e-10,18
6.2.2,270,2,Correct Asymptotic Potential,2,135,2,True,True,True,False,False,15,6.87484857238941e-09,63
6.2.2,271,1,Non-empirical (excogitated) B88 functional of Becke and Elliott,2,135,2,True,True,True,False,False,6,1.0635035564108691e-10,18
6.2.2,271,2,Non-empirical (excogitated) B88 functional of Becke and Elliott,2,135,2,True,True,True,False,False,15,6.0563232604109715e-09,63
6.2.2,272,1,"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",2,135,3,True,True,True,False,False,6,2.4448225670865504e-11,18
6.2.2,272,2,"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",2,135,3,True,True,True,False,False,15,9.83324916624548e-11,63
6.2.2,273,1,PBEmol0,32,135,1,True,True,True,False,False,6,8.646804800890495e-11,18
6.2.2,273,2,PBEmol0,32,135,1,True,True,True,False,False,15,7.059133397232558e-10,63
6.2.2,274,1,PBEsol0,32,135,1,True,True,True,False,False,6,8.595699643178987e-11,18
6.2.2,274,2,PBEsol0,32,135,1,True,True,True,False,False,15,1.0349843904509582e-10,63
6.2.2,275,1,PBEbeta0,32,135,1,True,True,True,False,False,6,8.777004812812299e-11,18
6.2.2,275,2,PBEbeta0,32,135,1,True,True,True,False,False,15,3.813387872376767e-10,63
6.2.2,276,1,PBEmolbeta0,32,135,1,True,True,True,False,False,6,8.79922993684158e-11,18
6.2.2,276,2,PBEmolbeta0,32,135,1,True,True,True,False,False,15,6.757636235276276e-10,63
6.2.2,277,1,gamma-TFvW form by Acharya et al [$g = 1 - 1.513/N^{0.35}]$,2,135,1,True,True,True,False,False,6,6.954293577762498e-11,18
6.2.2,277,2,gamma-TFvW form by Acharya et al [$g = 1 - 1.513/N^{0.35}]$,2,135,1,True,True,True,False,False,15,2.397201445039464e-10,63
6.2.2,278,1,gamma-TFvW form by Acharya et al [$g = l = 1/(1 + 1.332/N^{1/3})$],2,135,1,True,True,True,False,False,6,1.32478433044431e-10,18
6.2.2,278,2,gamma-TFvW form by Acharya et al [$g = l = 1/(1 + 1.332/N^{1/3})$],2,135,1,True,True,True,False,False,15,2.1188110754128582e-10,63
6.2.2,279,1,Boese-Martin for kinetics,64,135,9,True,True,True,False,False,9,4.717768844037119e-10,30
6.2.2,279,2,Boese-Martin for kinetics,64,135,9,True,True,True,False,False,21,4.911617942079272e-09,108
6.2.2,280,1,Boese-Martin correlation for kinetics,2,135,10,True,True,True,False,False,6,3.3662541028509505e-08,18
6.2.2,280,2,Boese-Martin correlation for kinetics,2,135,10,True,True,True,False,False,15,5.375867516117283e-07,63
6.2.2,281,1,correlation part of tau-hcth,2,135,10,True,True,True,False,False,6,4.3813712176056225e-09,18
6.2.2,281,2,correlation part of tau-hcth,2,135,10,True,True,True,False,False,15,2.1794544739953408e-07,63
6.2.2,282,1,Hybrid version of tau-HCTH,64,135,9,True,True,True,False,False,9,9.24124646437603e-11,30
6.2.2,282,2,Hybrid version of tau-HCTH,64,135,9,True,True,True,False,False,21,4.44122355994443e-10,108
6.2.2,283,1,correlation part of hyb-tau-hcth,2,135,10,True,True,True,False,False,6,2.1538703346469265e-08,18
6.2.2,283,2,correlation part of hyb-tau-hcth,2,135,10,True,True,True,False,False,15,8.161545119357602e-07,63
6.2.2,284,1,Becke 2000,4,32903,2,True,True,True,False,False,12,4.482994164813445e-08,45
6.2.2,284,2,Becke 2000,4,32903,2,True,True,True,False,False,27,4.706653025479048e-08,165
6.2.2,285,1,BEEF-vdW exchange,2,135,0,True,True,True,False,False,6,1.7398562866806137e-06,18
6.2.2,285,2,BEEF-vdW exchange,2,135,0,True,True,True,False,False,15,2.7626164450628925e-06,63
6.2.2,286,1,BEEF-vdW exchange-correlation,2,135,0,True,True,True,False,False,6,2.004657480955948e-06,18
6.2.2,286,2,BEEF-vdW exchange-correlation,2,135,0,True,True,True,False,False,15,2.8271136419536827e-06,63
6.2.2,287,1,Chachiyo simple 2 parameter correlation,1,135,6,True,True,True,False,False,3,1.1242743313212978e-11,9
6.2.2,287,2,Chachiyo simple 2 parameter correlation,1,135,6,True,True,True,False,False,6,4.061726962030755e-11,18
6.2.2,288,1,high local exchange 2017,4,135,0,True,True,True,False,False,9,9.689067935582875e-11,30
6.2.2,288,2,high local exchange 2017,4,135,0,True,True,True,False,False,21,2.4793934976503874e-08,108
6.2.2,289,1,Liu-Parr correlation,1,135,3,True,True,True,False,False,3,2.0646841353751473e-11,9
6.2.2,289,2,Liu-Parr correlation,1,135,3,True,True,True,False,False,6,1.030691254749029e-11,18
6.2.2,290,1,PBE50,32,135,1,True,True,True,False,False,6,6.763797515133799e-11,18
6.2.2,290,2,PBE50,32,135,1,True,True,True,False,False,15,3.391946989235325e-10,63
6.2.2,291,1,Gradient-regulated connection-based correction for the PBE exchange,2,135,0,True,True,True,False,False,6,1.0636021583155562e-10,18
6.2.2,291,2,Gradient-regulated connection-based correction for the PBE exchange,2,135,0,True,True,True,False,False,15,1.639732461827966e-10,63
6.2.2,292,1,SCAN + rVV10 correlation,4,1159,0,True,True,True,False,False,9,1.4729821864113353e-09,30
6.2.2,292,2,SCAN + rVV10 correlation,4,1159,0,True,True,True,False,False,21,4.0741671025627974e-10,108
6.2.2,293,1,Minnesota revM06-L exchange functional,4,135,18,True,True,True,False,False,9,7.547016694536312e-10,30
6.2.2,293,2,Minnesota revM06-L exchange functional,4,135,18,True,True,True,False,False,21,1.2119375783000436e-09,108
6.2.2,294,1,Minnesota revM06-L correlation functional,4,135,27,True,True,True,False,False,9,1.569342880651534e-09,30
6.2.2,294,2,Minnesota revM06-L correlation functional,4,135,27,True,True,True,False,False,21,1.625102863036995e-07,108
6.2.2,295,1,Minnesota M08-HX hybrid exchange functional,64,135,25,True,True,True,False,False,9,4.842248607968808e-09,30
6.2.2,295,2,Minnesota M08-HX hybrid exchange functional,64,135,25,True,True,True,False,False,21,6.524403263061055e-09,108
6.2.2,296,1,Minnesota M08-SO hybrid exchange functional,64,135,25,True,True,True,False,False,9,2.5234529225643804e-09,30
6.2.2,296,2,Minnesota M08-SO hybrid exchange functional,64,135,25,True,True,True,False,False,21,4.220708835679446e-09,108
6.2.2,297,1,Minnesota M11 hybrid exchange functional,64,391,27,True,True,True,False,False,9,4.3148484963254766e-09,30
6.2.2,297,2,Minnesota M11 hybrid exchange functional,64,391,27,True,True,True,False,False,21,3.508486201020425e-09,108
6.2.2,298,1,Chachiyo exchange,2,135,0,True,True,True,False,False,6,2.746742829642539e-10,18
6.2.2,298,2,Chachiyo exchange,2,135,0,True,True,True,False,False,15,9.557949733366615e-09,63
6.2.2,299,1,TPSS for surface adsorption,4,135,5,True,True,True,False,False,9,8.791538642325877e-11,30
6.2.2,299,2,TPSS for surface adsorption,4,135,5,True,True,True,False,False,21,1.9646129845536e-08,108
6.2.2,300,1,MS2beta exchange of Furness and Sun,4,135,0,True,True,True,False,False,9,1.7754913148283387e-10,30
6.2.2,300,2,MS2beta exchange of Furness and Sun,4,135,0,True,True,True,False,False,21,2.597684454176402e-10,108
6.2.2,301,1,MS2beta* exchange of Furness and Sun,4,135,0,True,True,True,False,False,9,1.395430897765572e-10,30
6.2.2,301,2,MS2beta* exchange of Furness and Sun,4,135,0,True,True,True,False,False,21,1.5416430641127966e-10,108
6.2.2,302,1,MVSbeta exchange by Furness and Sun,4,135,4,True,True,True,False,False,9,2.6275676472245065e-10,30
6.2.2,302,2,MVSbeta exchange by Furness and Sun,4,135,4,True,True,True,False,False,21,5.013695841234722e-10,108
6.2.2,303,1,MVSbeta* exchange by Furness and Sun,4,135,4,True,True,True,False,False,9,2.6241343607050497e-10,30
6.2.2,303,2,MVSbeta* exchange by Furness and Sun,4,135,4,True,True,True,False,False,21,5.251984134778426e-10,108
6.2.2,304,1,Revised Minnesota M11 hybrid exchange functional,64,391,27,True,True,True,False,False,9,9.07045836200422e-10,30
6.2.2,304,2,Revised Minnesota M11 hybrid exchange functional,64,391,27,True,True,True,False,False,21,1.2822921570782457e-09,108
6.2.2,305,1,Revised Minnesota M06 hybrid exchange functional,64,135,19,True,True,True,False,False,9,1.009675604080023e-09,30
6.2.2,305,2,Revised Minnesota M06 hybrid exchange functional,64,135,19,True,True,True,False,False,21,1.8697282943347986e-09,108
6.2.2,306,1,Revised Minnesota M06 correlation functional,4,135,27,True,True,True,False,False,9,6.724917240117125e-10,30
6.2.2,306,2,Revised Minnesota M06 correlation functional,4,135,27,True,True,True,False,False,21,6.676832360770205e-08,108
6.2.2,307,1,Chachiyo simple 2 parameter correlation with modified spin scaling,1,135,6,True,True,True,False,False,3,1.1242743313212978e-11,9
6.2.2,307,2,Chachiyo simple 2 parameter correlation with modified spin scaling,1,135,6,True,True,True,False,False,6,3.9280102503361866e-11,18
6.2.2,308,1,Karasiev reparameterization of Chachiyo,1,135,6,True,True,True,False,False,3,1.1132038027884617e-11,9
6.2.2,308,2,Karasiev reparameterization of Chachiyo,1,135,6,True,True,True,False,False,6,3.9806755143027454e-11,18
6.2.2,309,1,Chachiyo simple GGA correlation,2,135,7,True,True,True,False,False,6,1.4955389023471612e-11,18
6.2.2,309,2,Chachiyo simple GGA correlation,2,135,7,True,True,True,False,False,15,6.567746594272357e-11,63
6.2.2,310,1,Minnesota M06-SX short-range hybrid exchange functional,64,391,20,True,True,True,False,False,9,5.33342217069093e-10,30
6.2.2,310,2,Minnesota M06-SX short-range hybrid exchange functional,64,391,20,True,True,True,False,False,21,1.0712172435634216e-09,108
6.2.2,311,1,Minnesota M06-SX correlation functional,4,135,27,True,True,True,False,False,9,1.2089308060723194e-09,30
6.2.2,311,2,Minnesota M06-SX correlation functional,4,135,27,True,True,True,False,False,21,8.989293295649618e-08,108
6.2.2,312,1,"Revised Swart, Sola and Bickelhaupt dispersion",2,135,8,True,True,True,False,False,6,1.4416343441022968e-10,18
6.2.2,312,2,"Revised Swart, Sola and Bickelhaupt dispersion",2,135,8,True,True,True,False,False,15,4.48842812635048e-08,63
6.2.2,313,1,ccDF: coupled-cluster motivated density functional,2,135,5,True,True,True,False,False,6,1.0492675085838377e-10,18
6.2.2,313,2,ccDF: coupled-cluster motivated density functional,2,135,5,True,True,True,False,False,15,6.001704409591065e-10,63
6.2.2,314,1,HF + LYP correlation,32,135,0,True,True,True,False,False,6,7.613906855030903e-12,18
6.2.2,314,2,HF + LYP correlation,32,135,0,True,True,True,False,False,15,1.1241668946390643e-10,63
6.2.2,315,1,"B3P86, NWChem version",32,135,0,True,True,True,False,False,6,1.8608079256439705e-10,18
6.2.2,315,2,"B3P86, NWChem version",32,135,0,True,True,True,False,False,15,6.551925717348161e-09,63
6.2.2,316,1,"PW91, alternate version with more digits",2,135,3,True,True,True,False,False,6,2.261699570911503e-09,18
6.2.2,316,2,"PW91, alternate version with more digits",2,135,3,True,True,True,False,False,15,1.0706724159546657e-08,63
6.2.2,317,1,"Xie, Wu, and Zhao interpolation ansatz without fitting parameters",1,135,0,True,True,True,False,False,3,1.1503758255897936e-11,9
6.2.2,317,2,"Xie, Wu, and Zhao interpolation ansatz without fitting parameters",1,135,0,True,True,True,False,False,6,4.229366659302619e-11,18
6.2.2,318,1,"Corrected KSDT by Karasiev, Dufty and Trickey",1,135,1,True,True,True,False,False,3,9.959384361494733e-11,9
6.2.2,318,2,"Corrected KSDT by Karasiev, Dufty and Trickey",1,135,1,True,True,True,False,False,6,8.94661365541521e-11,18
6.2.2,319,1,Filatov and Thiel 1998 meta-GGA exchange,4,32903,6,True,True,True,False,False,12,1.971756004250608e-09,45
6.2.2,319,2,Filatov and Thiel 1998 meta-GGA exchange,4,32903,6,True,True,True,False,False,27,5.437783050525963e-09,165
6.2.2,320,1,"Perdew, Burke & Ernzerhof with less precise value for beta",2,135,2,True,True,True,False,False,6,1.0604940078116854e-10,18
6.2.2,320,2,"Perdew, Burke & Ernzerhof with less precise value for beta",2,135,2,True,True,True,False,False,15,3.7536700097990736e-10,63
6.2.2,321,1,"Perdew, Burke & Ernzerhof with parameter values used in Gaussian",2,135,2,True,True,True,False,False,6,1.060896272261857e-10,18
6.2.2,321,2,"Perdew, Burke & Ernzerhof with parameter values used in Gaussian",2,135,2,True,True,True,False,False,15,3.773332611173758e-10,63
6.2.2,322,1,"Perdew, Burke & Ernzerhof with parameters from Gaussian",2,135,3,True,True,True,False,False,6,1.3894736204480135e-11,18
6.2.2,322,2,"Perdew, Burke & Ernzerhof with parameters from Gaussian",2,135,3,True,True,True,False,False,15,5.7157683165845674e-11,63
6.2.2,323,1,"Tao, Perdew, Staroverov & Scuseria with parameters from Gaussian",4,135,6,True,True,True,False,False,9,1.0681604239062759e-11,30
6.2.2,323,2,"Tao, Perdew, Staroverov & Scuseria with parameters from Gaussian",4,135,6,True,True,True,False,False,21,5.2024868297528275e-11,108
6.2.2,324,1,Nearly correct asymptotic potential revised,2,135,4,True,True,True,False,False,6,1.0618116558942229e-10,18
6.2.2,324,2,Nearly correct asymptotic potential revised,2,135,4,True,True,True,False,False,15,1.8001231992524181e-09,63
6.2.2,325,1,relPBE0 a.k.a. relPBE: PBE0 refitted for actinide compounds,32,135,6,True,True,True,False,False,6,8.670801157312944e-11,18
6.2.2,325,2,relPBE0 a.k.a. relPBE: PBE0 refitted for actinide compounds,32,135,6,True,True,True,False,False,15,8.319611472295416e-11,63
6.2.2,327,1,Becke 97-3c by Grimme et. al.,2,135,15,True,True,True,False,False,6,1.1013497125748932e-08,18
6.2.2,327,2,Becke 97-3c by Grimme et. al.,2,135,15,True,True,True,False,False,15,2.429394689896592e-07,63
6.2.2,387,1,Self-interaction corrected correlation functional by Schmidt et al,4,135,0,True,True,True,False,False,9,1.1370656743345973e-11,30
6.2.2,387,2,Self-interaction corrected correlation functional by Schmidt et al,4,135,0,True,True,True,False,False,21,5.0179773734211114e-11,108
6.2.2,388,1,Iso-orbital corrected LDA correlation by Lebeda et al,4,135,1,True,True,True,False,False,9,1.1370644484446123e-11,30
6.2.2,388,2,Iso-orbital corrected LDA correlation by Lebeda et al,4,135,1,True,True,True,False,False,21,5.021067062443858e-11,108
6.2.2,389,1,BR3P86 hybrid meta-GGA from Neumann and Handy,64,32903,3,True,True,True,False,False,12,3.845837566638797e-08,45
6.2.2,389,2,BR3P86 hybrid meta-GGA from Neumann and Handy,64,32903,3,True,True,True,False,False,27,3.965510888786598e-08,165
6.2.2,390,1,CASE21: Constrained And Smoothed semi-Empirical 2021 functional,32,135,23,True,True,True,False,False,6,8.628787108236771e-11,18
6.2.2,390,2,CASE21: Constrained And Smoothed semi-Empirical 2021 functional,32,135,23,True,True,True,False,False,15,6.023953966614852e-08,63
6.2.2,391,1,Revised regTM correlation by Jana et al,4,135,0,True,True,True,False,False,9,1.4729821864113353e-09,30
6.2.2,391,2,Revised regTM correlation by Jana et al,4,135,0,True,True,True,False,False,21,4.0741671025627974e-10,108
6.2.2,392,1,PBE-2X: PBE0 with 56% exact exchange,32,135,1,True,True,True,False,False,6,6.21974982177605e-11,18
6.2.2,392,2,PBE-2X: PBE0 with 56% exact exchange,32,135,1,True,True,True,False,False,15,3.3302646450584696e-10,63
6.2.2,393,1,PBE38: PBE0 with 3/8 = 37.5% exact exchange,32,135,1,True,True,True,False,False,6,7.772516113555935e-11,18
6.2.2,393,2,PBE38: PBE0 with 3/8 = 37.5% exact exchange,32,135,1,True,True,True,False,False,15,3.7605314120832966e-10,63
6.2.2,394,1,B3LYP with VWN functional 3 instead of RPA,32,135,3,True,True,True,False,False,6,9.522476109953172e-11,18
6.2.2,394,2,B3LYP with VWN functional 3 instead of RPA,32,135,3,True,True,True,False,False,15,6.338691213970304e-09,63
6.2.2,395,1,CAM-O3LYP,32,391,6,True,True,True,False,False,6,7.789708395927865e-08,18
6.2.2,395,2,CAM-O3LYP,32,391,6,True,True,True,False,False,15,3.9318302256955124e-07,63
6.2.2,396,1,TPSS0 with 25% exact exchange,64,135,1,True,True,True,False,False,9,6.660283642529884e-11,30
6.2.2,396,2,TPSS0 with 25% exact exchange,64,135,1,True,True,True,False,False,21,1.1821548741419967e-08,108
6.2.2,397,1,Becke 1994 meta-GGA correlation,4,32903,3,True,True,True,False,False,12,3.2191028083923954e-08,45
6.2.2,397,2,Becke 1994 meta-GGA correlation,4,32903,3,True,True,True,False,False,27,4.585786818217325e-08,165
6.2.2,398,1,Becke 1994 hybrid meta-GGA,64,32903,4,True,True,True,False,False,12,3.2101496617411735e-08,45
6.2.2,398,2,Becke 1994 hybrid meta-GGA,64,32903,4,True,True,True,False,False,27,3.757773992700544e-08,165
6.2.2,399,1,wB97X-D3 range-separated functional,32,391,18,True,True,True,False,False,6,1.2622343861690882e-07,18
6.2.2,399,2,wB97X-D3 range-separated functional,32,391,18,True,True,True,False,False,15,1.0275510219881493e-06,63
6.2.2,400,1,LC version of BLYP,32,391,1,True,True,True,False,False,6,1.1178122720224892e-10,18
6.2.2,400,2,LC version of BLYP,32,391,1,True,True,True,False,False,15,4.024944903429768e-09,63
6.2.2,401,1,"The original (ACM, B3PW91) hybrid of Becke",32,135,3,True,True,True,False,False,6,5.359524956921614e-10,18
6.2.2,401,2,"The original (ACM, B3PW91) hybrid of Becke",32,135,3,True,True,True,False,False,15,6.621631834416649e-09,63
6.2.2,402,1,B3LYP,32,135,3,True,True,True,False,False,6,9.488449557073598e-11,18
6.2.2,402,2,B3LYP,32,135,3,True,True,True,False,False,15,6.338691213970304e-09,63
6.2.2,403,1,B3P86,32,135,3,True,True,True,False,False,6,1.7333256927217071e-10,18
6.2.2,403,2,B3P86,32,135,3,True,True,True,False,False,15,6.5480894574697905e-09,63
6.2.2,404,1,O3LYP,32,135,4,True,True,True,False,False,6,9.703075032375984e-11,18
6.2.2,404,2,O3LYP,32,135,4,True,True,True,False,False,15,6.686709835217504e-09,63
6.2.2,405,1,mPW1K,32,135,1,True,True,True,False,False,6,2.6835542979876024e-09,18
6.2.2,405,2,mPW1K,32,135,1,True,True,True,False,False,15,1.0612076055036057e-08,63
6.2.2,406,1,PBEH (PBE0),32,135,1,True,True,True,False,False,6,8.635980319886068e-11,18
6.2.2,406,2,PBEH (PBE0),32,135,1,True,True,True,False,False,15,4.000357559655157e-10,63
6.2.2,407,1,Becke 97,32,135,16,True,True,True,False,False,6,1.0541195887094237e-08,18
6.2.2,407,2,Becke 97,32,135,16,True,True,True,False,False,15,7.301003344358857e-07,63
6.2.2,408,1,Becke 97-1,32,135,16,True,True,True,False,False,6,1.1001956156186646e-08,18
6.2.2,408,2,Becke 97-1,32,135,16,True,True,True,False,False,15,8.208923094125241e-07,63
6.2.2,409,1,APF hybrid functional,32,135,0,True,True,True,False,False,6,2.481305033660796e-10,18
6.2.2,409,2,APF hybrid functional,32,135,0,True,True,True,False,False,15,3.1081387392998774e-09,63
6.2.2,410,1,Becke 97-2,32,135,16,True,True,True,False,False,6,4.593738881445474e-09,18
6.2.2,410,2,Becke 97-2,32,135,16,True,True,True,False,False,15,3.448395719725347e-07,63
6.2.2,411,1,X3LYP,32,135,5,True,True,True,False,False,6,4.008159834164434e-10,18
6.2.2,411,2,X3LYP,32,135,5,True,True,True,False,False,15,7.269750066776742e-09,63
6.2.2,412,1,B1WC,32,135,1,True,True,True,False,False,6,9.197410902327493e-11,18
6.2.2,412,2,B1WC,32,135,1,True,True,True,False,False,15,2.6652026111808947e-09,63
6.2.2,413,1,Boese-Martin for Kinetics,32,135,16,True,True,True,False,False,6,1.2670194672456118e-08,18
6.2.2,413,2,Boese-Martin for Kinetics,32,135,16,True,True,True,False,False,15,5.580074458828784e-07,63
6.2.2,414,1,Becke 97-3,32,135,16,True,True,True,False,False,6,3.42231583584851e-08,18
6.2.2,414,2,Becke 97-3,32,135,16,True,True,True,False,False,15,8.406884517568727e-07,63
6.2.2,415,1,MPW3PW of Adamo & Barone,32,135,3,True,True,True,False,False,6,3.0640480531086707e-09,18
6.2.2,415,2,MPW3PW of Adamo & Barone,32,135,3,True,True,True,False,False,15,1.1072651108716305e-08,63
6.2.2,416,1,B1LYP,32,135,1,True,True,True,False,False,6,9.245190669886022e-11,18
6.2.2,416,2,B1LYP,32,135,1,True,True,True,False,False,15,6.564951033047413e-09,63
6.2.2,417,1,B1PW91,32,135,1,True,True,True,False,False,6,7.110430611199968e-10,18
6.2.2,417,2,B1PW91,32,135,1,True,True,True,False,False,15,6.934548359832856e-09,63
6.2.2,418,1,mPW1PW,32,135,1,True,True,True,False,False,6,3.526833125542424e-09,18
6.2.2,418,2,mPW1PW,32,135,1,True,True,True,False,False,15,1.161997395521656e-08,63
6.2.2,419,1,MPW3LYP,32,135,3,True,True,True,False,False,6,1.9246464506882665e-09,18
6.2.2,419,2,MPW3LYP,32,135,3,True,True,True,False,False,15,1.0510976963280235e-08,63
6.2.2,420,1,SB98 (1a),32,135,16,True,True,True,False,False,6,3.6665203444812796e-09,18
6.2.2,420,2,SB98 (1a),32,135,16,True,True,True,False,False,15,9.707045828447105e-09,63
6.2.2,421,1,SB98 (1b),32,135,16,True,True,True,False,False,6,1.0062678564974733e-08,18
6.2.2,421,2,SB98 (1b),32,135,16,True,True,True,False,False,15,1.3058418684308815e-06,63
6.2.2,422,1,SB98 (1c),32,135,16,True,True,True,False,False,6,1.0339998667213111e-08,18
6.2.2,422,2,SB98 (1c),32,135,16,True,True,True,False,False,15,6.687534492610826e-07,63
6.2.2,423,1,SB98 (2a),32,135,16,True,True,True,False,False,6,6.998496876502842e-09,18
6.2.2,423,2,SB98 (2a),32,135,16,True,True,True,False,False,15,3.5820952135590115e-07,63
6.2.2,424,1,SB98 (2b),32,135,16,True,True,True,False,False,6,6.0496311483778445e-09,18
6.2.2,424,2,SB98 (2b),32,135,16,True,True,True,False,False,15,2.842303806198101e-07,63
6.2.2,425,1,SB98 (2c),32,135,16,True,True,True,False,False,6,9.935171432091907e-09,18
6.2.2,425,2,SB98 (2c),32,135,16,True,True,True,False,False,15,6.237523428094266e-07,63
6.2.2,426,1,Hybrid based on SOGGA11 form,32,135,15,True,True,True,False,False,6,7.816902921684391e-11,18
6.2.2,426,2,Hybrid based on SOGGA11 form,32,135,15,True,True,True,False,False,15,4.459676929262055e-09,63
6.2.2,427,1,HSE03,32,391,3,True,True,True,False,False,6,1.0136991235165818e-10,18
6.2.2,427,2,HSE03,32,391,3,True,True,True,False,False,15,1.0399402899951595e-08,63
6.2.2,428,1,HSE06,32,391,3,True,True,True,False,False,6,1.090494693794572e-10,18
6.2.2,428,2,HSE06,32,391,3,True,True,True,False,False,15,1.008091367319291e-08,63
6.2.2,429,1,HJS hybrid screened exchange PBE version,32,391,0,True,True,True,False,False,6,8.557241045311907e-11,18
6.2.2,429,2,HJS hybrid screened exchange PBE version,32,391,0,True,True,True,False,False,15,1.0877251185508367e-09,63
6.2.2,430,1,HJS hybrid screened exchange PBE_SOL version,32,391,0,True,True,True,False,False,6,8.373385934500029e-11,18
6.2.2,430,2,HJS hybrid screened exchange PBE_SOL version,32,391,0,True,True,True,False,False,15,5.16718873418464e-10,63
6.2.2,431,1,HJS hybrid screened exchange B88 version,32,391,0,True,True,True,False,False,6,8.450420023553165e-11,18
6.2.2,431,2,HJS hybrid screened exchange B88 version,32,391,0,True,True,True,False,False,15,3.8662513370104184e-09,63
6.2.2,432,1,HJS hybrid screened exchange B97x version,32,391,0,True,True,True,False,False,6,8.331664807737471e-11,18
6.2.2,432,2,HJS hybrid screened exchange B97x version,32,391,0,True,True,True,False,False,15,1.2596493394571887e-10,63
6.2.2,433,1,CAM version of B3LYP,32,391,4,True,True,True,False,False,6,9.807996539592494e-11,18
6.2.2,433,2,CAM version of B3LYP,32,391,4,True,True,True,False,False,15,5.34065117819784e-09,63
6.2.2,434,1,"CAM version of B3LYP, tuned for excitations and properties",32,391,4,True,True,True,False,False,6,1.0597760987759741e-10,18
6.2.2,434,2,"CAM version of B3LYP, tuned for excitations and properties",32,391,4,True,True,True,False,False,15,5.676404531441627e-09,63
6.2.2,435,1,BHandH i.e. BHLYP,32,135,1,True,True,True,False,False,6,6.975344351845088e-11,18
6.2.2,435,2,BHandH i.e. BHLYP,32,135,1,True,True,True,False,False,15,5.3888186932870785e-11,63
6.2.2,436,1,BHandHLYP,32,135,1,True,True,True,False,False,6,7.38130093634185e-11,18
6.2.2,436,2,BHandHLYP,32,135,1,True,True,True,False,False,15,5.600003183638193e-09,63
6.2.2,437,1,B3LYP with RC04 LDA,32,135,4,True,True,True,False,False,6,9.530757253738135e-11,18
6.2.2,437,2,B3LYP with RC04 LDA,32,135,4,True,True,True,False,False,15,6.338691213970304e-09,63
6.2.2,438,1,Minnesota M05 hybrid exchange functional,64,135,14,True,True,True,False,False,9,3.1590882004566835e-09,30
6.2.2,438,2,Minnesota M05 hybrid exchange functional,64,135,14,True,True,True,False,False,21,3.705146722231673e-09,108
6.2.2,439,1,Minnesota M05-2X hybrid exchange functional,64,135,14,True,True,True,False,False,9,5.478708331476812e-09,30
6.2.2,439,2,Minnesota M05-2X hybrid exchange functional,64,135,14,True,True,True,False,False,21,5.050210441396751e-09,108
6.2.2,440,1,Mixture of B88 with BC95 (B1B95),64,135,0,True,True,True,False,False,9,3.5984267060548765e-10,30
6.2.2,440,2,Mixture of B88 with BC95 (B1B95),64,135,0,True,True,True,False,False,21,6.156780608974545e-08,108
6.2.2,441,1,Mixture of B86 with BC95,64,135,0,True,True,True,False,False,9,3.8215227526319607e-10,30
6.2.2,441,2,Mixture of B86 with BC95,64,135,0,True,True,True,False,False,21,6.222229373634471e-08,108
6.2.2,442,1,Mixture of PW86 with BC95,64,135,0,True,True,True,False,False,9,3.8849333164979355e-10,30
6.2.2,442,2,Mixture of PW86 with BC95,64,135,0,True,True,True,False,False,21,6.69451033734799e-08,108
6.2.2,443,1,Mixture of B88 with BC95 from Zhao and Truhlar,64,135,0,True,True,True,False,False,9,3.581198855353143e-10,30
6.2.2,443,2,Mixture of B88 with BC95 from Zhao and Truhlar,64,135,0,True,True,True,False,False,21,6.067598267278447e-08,108
6.2.2,444,1,Minnesota M06-HF hybrid exchange functional,64,135,19,True,True,True,False,False,9,1.559850092295757e-08,30
6.2.2,444,2,Minnesota M06-HF hybrid exchange functional,64,135,19,True,True,True,False,False,21,1.4808051986199826e-08,108
6.2.2,445,1,Mixture of mPW91 with BC95 from Zhao and Truhlar,64,135,0,True,True,True,False,False,9,1.073191213929118e-09,30
6.2.2,445,2,Mixture of mPW91 with BC95 from Zhao and Truhlar,64,135,0,True,True,True,False,False,21,6.08510300276249e-08,108
6.2.2,446,1,Mixture of mPW91 with BC95 for kinetics,64,135,0,True,True,True,False,False,9,9.264376233903735e-10,30
6.2.2,446,2,Mixture of mPW91 with BC95 for kinetics,64,135,0,True,True,True,False,False,21,6.013324712750117e-08,108
6.2.2,447,1,Mixture of X with BC95,64,135,0,True,True,True,False,False,9,4.208467180185695e-10,30
6.2.2,447,2,Mixture of X with BC95,64,135,0,True,True,True,False,False,21,5.87686670330724e-08,108
6.2.2,448,1,Mixture of X with BC95 for kinetics,64,135,0,True,True,True,False,False,9,4.5386744734364757e-10,30
6.2.2,448,2,Mixture of X with BC95 for kinetics,64,135,0,True,True,True,False,False,21,5.9441885768307293e-08,108
6.2.2,449,1,Minnesota M06 hybrid exchange functional,64,135,19,True,True,True,False,False,9,2.01943842600821e-09,30
6.2.2,449,2,Minnesota M06 hybrid exchange functional,64,135,19,True,True,True,False,False,21,2.772792337108602e-09,108
6.2.2,450,1,Minnesota M06-2X hybrid exchange functional,64,135,14,True,True,True,False,False,9,3.76721823658864e-09,30
6.2.2,450,2,Minnesota M06-2X hybrid exchange functional,64,135,14,True,True,True,False,False,21,4.774522504203253e-09,108
6.2.2,451,1,Mixture of PW91 with BC95 from Zhao and Truhlar,64,135,0,True,True,True,False,False,9,1.3634213866257847e-09,30
6.2.2,451,2,Mixture of PW91 with BC95 from Zhao and Truhlar,64,135,0,True,True,True,False,False,21,5.8279106645487264e-08,108
6.2.2,452,1,Mixture of PW91 with BC95 from Zhao and Truhlar for kinetics,64,135,0,True,True,True,False,False,9,1.1424271111476725e-09,30
6.2.2,452,2,Mixture of PW91 with BC95 from Zhao and Truhlar for kinetics,64,135,0,True,True,True,False,False,21,6.889762846875756e-08,108
6.2.2,453,1,MPW with 1 par. for metals/LYP,32,135,1,True,True,True,False,False,6,2.3399087528274113e-09,18
6.2.2,453,2,MPW with 1 par. for metals/LYP,32,135,1,True,True,True,False,False,15,1.1712890100621954e-08,63
6.2.2,454,1,Revised B3LYP,32,135,3,True,True,True,False,False,6,9.450724589199745e-11,18
6.2.2,454,2,Revised B3LYP,32,135,3,True,True,True,False,False,15,6.190720276004005e-09,63
6.2.2,455,1,CAMY version of BLYP,32,647,0,True,True,True,False,False,6,9.5012423838883e-11,18
6.2.2,455,2,CAMY version of BLYP,32,647,0,True,True,True,False,False,15,4.09372427002573e-09,63
6.2.2,456,1,PBE0-1/3,32,135,1,True,True,True,False,False,6,8.068794124411493e-11,18
6.2.2,456,2,PBE0-1/3,32,135,1,True,True,True,False,False,15,3.8784260118056083e-10,63
6.2.2,457,1,TPSSh,64,135,1,True,True,True,False,False,9,7.563326551323967e-11,30
6.2.2,457,2,TPSSh,64,135,1,True,True,True,False,False,21,1.4380988156788417e-08,108
6.2.2,458,1,revTPSSh,64,135,1,True,True,True,False,False,9,7.641886695320693e-11,30
6.2.2,458,2,revTPSSh,64,135,1,True,True,True,False,False,21,1.1434147525014478e-08,108
6.2.2,459,1,B3LYP*,32,135,3,True,True,True,False,False,6,9.747830347679426e-11,18
6.2.2,459,2,B3LYP*,32,135,3,True,True,True,False,False,15,6.331362289667482e-09,63
6.2.2,460,1,Global hybrid for vertical ionization potentials,32,135,2,True,True,True,False,False,6,5.915216515563226e-11,18
6.2.2,460,2,Global hybrid for vertical ionization potentials,32,135,2,True,True,True,False,False,15,4.0005894423081035e-11,63
6.2.2,461,1,B3LYP-MCM1,32,135,6,True,True,True,False,False,6,9.496745763059551e-11,18
6.2.2,461,2,B3LYP-MCM1,32,135,6,True,True,True,False,False,15,6.4057917490585884e-09,63
6.2.2,462,1,B3LYP-MCM2,32,135,6,True,True,True,False,False,6,9.553974740568958e-11,18
6.2.2,462,2,B3LYP-MCM2,32,135,6,True,True,True,False,False,15,6.458675694002039e-09,63
6.2.2,463,1,wB97 range-separated functional,32,391,18,True,True,True,False,False,6,5.3749450180759496e-08,18
6.2.2,463,2,wB97 range-separated functional,32,391,18,True,True,True,False,False,15,2.7013522138284114e-07,63
6.2.2,464,1,wB97X range-separated functional,32,391,18,True,True,True,False,False,6,1.0178572479593068e-07,18
6.2.2,464,2,wB97X range-separated functional,32,391,18,True,True,True,False,False,15,6.370476146248425e-07,63
6.2.2,465,1,"Long-range corrected short-range hybrid PBE (LRC-wPBEh) by Rohrdanz, Martins and Herbert",32,391,3,True,True,True,False,False,6,9.284784642868751e-11,18
6.2.2,465,2,"Long-range corrected short-range hybrid PBE (LRC-wPBEh) by Rohrdanz, Martins and Herbert",32,391,3,True,True,True,False,False,15,1.7196324368230361e-09,63
6.2.2,466,1,wB97X-V range-separated functional,32,1415,18,True,True,True,False,False,6,1.2307306629567314e-09,18
6.2.2,466,2,wB97X-V range-separated functional,32,1415,18,True,True,True,False,False,15,8.495191650249114e-08,63
6.2.2,467,1,LCY version of PBE,32,647,0,True,True,True,False,False,6,9.439768711564766e-11,18
6.2.2,467,2,LCY version of PBE,32,647,0,True,True,True,False,False,15,2.1542857141584648e-10,63
6.2.2,468,1,LCY version of BLYP,32,647,0,True,True,True,False,False,6,1.006972226654901e-10,18
6.2.2,468,2,LCY version of BLYP,32,647,0,True,True,True,False,False,15,3.030365661707673e-09,63
6.2.2,469,1,Vydrov and Van Voorhis,32,1415,5,True,True,True,False,False,6,1.0455745595353432e-10,18
6.2.2,469,2,Vydrov and Van Voorhis,32,1415,5,True,True,True,False,False,15,8.641095802695105e-10,63
6.2.2,470,1,CAMY version of B3LYP,32,647,4,True,True,True,False,False,6,9.667087643688144e-11,18
6.2.2,470,2,CAMY version of B3LYP,32,647,4,True,True,True,False,False,15,5.709257040626199e-09,63
6.2.2,471,1,wB97X-D range-separated functional,32,391,18,True,True,True,False,False,6,1.3293407220513562e-07,18
6.2.2,471,2,wB97X-D range-separated functional,32,391,18,True,True,True,False,False,15,2.068334245806781e-06,63
6.2.2,472,1,hPBEint,32,16519,1,True,True,True,False,False,6,9.042711966827448e-11,18
6.2.2,472,2,hPBEint,32,16519,1,True,True,True,False,False,15,2.1811788475515876e-10,63
6.2.2,473,1,"Long-range corrected PBE (LRC-wPBE) by Rohrdanz, Martins and Herbert",32,391,3,True,True,True,False,False,6,1.057825203057808e-10,18
6.2.2,473,2,"Long-range corrected PBE (LRC-wPBE) by Rohrdanz, Martins and Herbert",32,391,3,True,True,True,False,False,15,1.438437235740555e-09,63
6.2.2,474,1,MVSh hybrid exchange functional,64,135,0,True,True,True,False,False,9,3.0247078939866295e-10,30
6.2.2,474,2,MVSh hybrid exchange functional,64,135,0,True,True,True,False,False,21,1.3621406373518602e-09,108
6.2.2,475,1,B3LYP with VWN functional 5 instead of RPA,32,135,3,True,True,True,False,False,6,9.522476109953172e-11,18
6.2.2,475,2,B3LYP with VWN functional 5 instead of RPA,32,135,3,True,True,True,False,False,15,6.338691213970304e-09,63
6.2.2,476,1,EDF2,32,135,0,True,True,True,False,False,6,9.681741522077904e-11,18
6.2.2,476,2,EDF2,32,135,0,True,True,True,False,False,15,5.743226116486845e-09,63
6.2.2,477,1,Correct Asymptotic Potential hybrid,32,135,0,True,True,True,False,False,6,2.1120450277793685e-10,18
6.2.2,477,2,Correct Asymptotic Potential hybrid,32,135,0,True,True,True,False,False,15,7.172724210399034e-09,63
6.2.2,478,1,Long-range corrected PBE (LC-wPBE) by Vydrov and Scuseria,32,391,3,True,True,True,False,False,6,1.0591420673589864e-10,18
6.2.2,478,2,Long-range corrected PBE (LC-wPBE) by Vydrov and Scuseria,32,391,3,True,True,True,False,False,15,4.7740918736673394e-09,63
6.2.2,479,1,HSE12,32,391,3,True,True,True,False,False,6,9.225477912198649e-11,18
6.2.2,479,2,HSE12,32,391,3,True,True,True,False,False,15,9.798264201218304e-09,63
6.2.2,480,1,HSE12 (short-range version),32,391,3,True,True,True,False,False,6,9.987389644211664e-11,18
6.2.2,480,2,HSE12 (short-range version),32,391,3,True,True,True,False,False,15,1.0283028208935082e-08,63
6.2.2,481,1,HSEsol,32,391,0,True,True,True,False,False,6,8.373385934500029e-11,18
6.2.2,481,2,HSEsol,32,391,0,True,True,True,False,False,15,5.16718873418464e-10,63
6.2.2,482,1,CAM-B3LYP retuned using ionization potentials of water,32,391,4,True,True,True,False,False,6,9.700553578696176e-11,18
6.2.2,482,2,CAM-B3LYP retuned using ionization potentials of water,32,391,4,True,True,True,False,False,15,3.4557858325118745e-09,63
6.2.2,483,1,mPW1LYP,32,135,1,True,True,True,False,False,6,2.01117400462462e-09,18
6.2.2,483,2,mPW1LYP,32,135,1,True,True,True,False,False,15,1.0869233463227308e-08,63
6.2.2,484,1,mPW1PBE,32,135,1,True,True,True,False,False,6,2.7575068061392168e-09,18
6.2.2,484,2,mPW1PBE,32,135,1,True,True,True,False,False,15,1.1910620392078098e-08,63
6.2.2,485,1,Kang-Musgrave hybrid,32,135,2,True,True,True,False,False,6,6.506804171986485e-11,18
6.2.2,485,2,Kang-Musgrave hybrid,32,135,2,True,True,True,False,False,15,4.5863961661394977e-11,63
6.2.2,486,1,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,391,3,True,True,True,False,False,6,1.0532352870384041e-10,18
6.2.2,486,2,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,391,3,True,True,True,False,False,15,1.0837376901713313e-09,63
6.2.2,487,1,"Long-range corrected short-range hybrid PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,391,3,True,True,True,False,False,6,8.800662705664347e-11,18
6.2.2,487,2,"Long-range corrected short-range hybrid PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,391,3,True,True,True,False,False,15,8.217156051597774e-10,63
6.2.2,488,1,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,391,3,True,True,True,False,False,6,1.0455745595353432e-10,18
6.2.2,488,2,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,391,3,True,True,True,False,False,15,8.641095802695105e-10,63
6.2.2,489,1,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,391,3,True,True,True,False,False,6,9.96899979393502e-11,18
6.2.2,489,2,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,391,3,True,True,True,False,False,15,1.0159576572163228e-10,63
6.2.2,490,1,CAM-B3LYP retuned using ionization potentials of water,32,391,4,True,True,True,False,False,6,7.063533080766182e-11,18
6.2.2,490,2,CAM-B3LYP retuned using ionization potentials of water,32,391,4,True,True,True,False,False,15,3.295078643638481e-09,63
6.2.2,491,1,CAM-B3LYP retuned using ionization potentials of water,32,391,4,True,True,True,False,False,6,9.29283959624166e-11,18
6.2.2,491,2,CAM-B3LYP retuned using ionization potentials of water,32,391,4,True,True,True,False,False,15,3.1643327192807004e-09,63
6.2.2,492,1,CAM-B3LYP retuned using ionization potentials of water,32,391,4,True,True,True,False,False,6,1.0979797078301742e-10,18
6.2.2,492,2,CAM-B3LYP retuned using ionization potentials of water,32,391,4,True,True,True,False,False,15,2.271178944264244e-09,63
6.2.2,493,1,Regularized SCAN exchange by Bartok and Yates,4,135,5,True,True,True,False,False,9,2.6179288662450285e-09,30
6.2.2,493,2,Regularized SCAN exchange by Bartok and Yates,4,135,5,True,True,True,False,False,21,1.2741112132607858e-09,108
6.2.2,494,1,Regularized SCAN correlation by Bartok and Yates,4,135,0,True,True,True,False,False,9,3.821101139200128e-09,30
6.2.2,494,2,Regularized SCAN correlation by Bartok and Yates,4,135,0,True,True,True,False,False,21,1.98299525041135e-09,108
6.2.2,495,1,Swart 2012 GGA exchange,2,135,5,True,True,True,False,False,6,1.0205802981291942e-10,18
6.2.2,495,2,Swart 2012 GGA exchange,2,135,5,True,True,True,False,False,15,2.5559412486218517e-08,63
6.2.2,496,1,Swart 2012 hybrid exchange,32,135,6,True,True,True,False,False,6,1.3368343490257143e-10,18
6.2.2,496,2,Swart 2012 hybrid exchange,32,135,6,True,True,True,False,False,15,1.579964181544272e-08,63
6.2.2,497,1,Re-regularized SCAN exchange by Furness et al,4,135,6,True,True,True,False,False,9,1.6281506298346358e-09,30
6.2.2,497,2,Re-regularized SCAN exchange by Furness et al,4,135,6,True,True,True,False,False,21,2.2769649294919694e-07,108
6.2.2,498,1,Re-regularized SCAN correlation by Furness et al,4,135,1,True,True,True,False,False,9,3.772956896957106e-09,30
6.2.2,498,2,Re-regularized SCAN correlation by Furness et al,4,135,1,True,True,True,False,False,21,2.044656303557334e-09,108
6.2.2,499,1,BLYP35,32,135,1,True,True,True,False,False,6,8.577171468191939e-11,18
6.2.2,499,2,BLYP35,32,135,1,True,True,True,False,False,15,6.2328302497496215e-09,63
6.2.2,500,1,von Weiszaecker correction to Thomas-Fermi,2,135,2,True,True,True,False,False,6,1.2687929634864043e-10,18
6.2.2,500,2,von Weiszaecker correction to Thomas-Fermi,2,135,2,True,True,True,False,False,15,4.3774751112461117e-10,63
6.2.2,501,1,Second-order gradient expansion of the kinetic energy density,2,135,2,True,True,True,False,False,6,1.4687562626221745e-10,18
6.2.2,501,2,Second-order gradient expansion of the kinetic energy density,2,135,2,True,True,True,False,False,15,1.5498933616330888e-10,63
6.2.2,502,1,TF-lambda-vW form by Golden (l = 13/45),2,135,2,True,True,True,False,False,6,1.5225728548844248e-10,18
6.2.2,502,2,TF-lambda-vW form by Golden (l = 13/45),2,135,2,True,True,True,False,False,15,1.7634124474887357e-10,63
6.2.2,503,1,TF-lambda-vW form by Yonei and Tomishima (l = 1/5),2,135,2,True,True,True,False,False,6,1.4924149481279138e-10,18
6.2.2,503,2,TF-lambda-vW form by Yonei and Tomishima (l = 1/5),2,135,2,True,True,True,False,False,15,1.576769517819372e-10,63
6.2.2,504,1,TF-lambda-vW form by Baltin (l = 5/9),2,135,2,True,True,True,False,False,6,1.6035085899830555e-10,18
6.2.2,504,2,TF-lambda-vW form by Baltin (l = 5/9),2,135,2,True,True,True,False,False,15,2.459480148888332e-10,63
6.2.2,505,1,TF-lambda-vW form by Lieb (l = 0.185909191),2,135,2,True,True,True,False,False,6,1.488879323549217e-10,18
6.2.2,505,2,TF-lambda-vW form by Lieb (l = 0.185909191),2,135,2,True,True,True,False,False,15,1.5714682748074337e-10,63
6.2.2,506,1,gamma-TFvW form by Acharya et al [$g = 1 - 1.412/N^{1/3}$],2,135,1,True,True,True,False,False,6,5.3256313268353323e-11,18
6.2.2,506,2,gamma-TFvW form by Acharya et al [$g = 1 - 1.412/N^{1/3}$],2,135,1,True,True,True,False,False,15,2.6823885244530667e-10,63
6.2.2,507,1,gamma-TFvW form by Acharya et al [$g = 1 - 1.332/N^{1/3}$],2,135,1,True,True,True,False,False,6,3.663339100779528e-11,18
6.2.2,507,2,gamma-TFvW form by Acharya et al [$g = 1 - 1.332/N^{1/3}$],2,135,1,True,True,True,False,False,15,2.9408047140929145e-10,63
6.2.2,508,1,gamma-TFvW form by Gazquez and Robles,2,135,1,True,True,True,False,False,6,1.501767538323212e-10,18
6.2.2,508,2,gamma-TFvW form by Gazquez and Robles,2,135,1,True,True,True,False,False,15,4.740618309214265e-10,63
6.2.2,509,1,gamma-TFvW form by Ludena,2,135,1,True,True,True,False,False,6,1.2687929634864043e-10,18
6.2.2,509,2,gamma-TFvW form by Ludena,2,135,1,True,True,True,False,False,15,4.3774751112461117e-10,63
6.2.2,510,1,gamma-TFvW form by Ghosh and Parr,2,135,1,True,True,True,False,False,6,1.2687929634864043e-10,18
6.2.2,510,2,gamma-TFvW form by Ghosh and Parr,2,135,1,True,True,True,False,False,15,4.3774751112461117e-10,63
6.2.2,511,1,Pearson 1992,2,135,0,True,True,True,False,False,6,1.4701154450840527e-10,18
6.2.2,511,2,Pearson 1992,2,135,0,True,True,True,False,False,15,1.942280811181096e-09,63
6.2.2,512,1,Ou-Yang and Levy v.1,2,135,0,True,True,True,False,False,6,1.4505528281902698e-09,18
6.2.2,512,2,Ou-Yang and Levy v.1,2,135,0,True,True,True,False,False,15,1.0077852442343819e-08,63
6.2.2,513,1,Ou-Yang and Levy v.2,2,135,0,True,True,True,False,False,6,3.7034931241258117e-09,18
6.2.2,513,2,Ou-Yang and Levy v.2,2,135,0,True,True,True,False,False,15,1.0894119882445512e-08,63
6.2.2,514,1,Fuentealba & Reyes (B88 version),2,135,0,True,True,True,False,False,6,1.4752925545587443e-10,18
6.2.2,514,2,Fuentealba & Reyes (B88 version),2,135,0,True,True,True,False,False,15,7.920498823199042e-09,63
6.2.2,515,1,Fuentealba & Reyes (PW86 version),2,135,0,True,True,True,False,False,6,1.4696426440829587e-10,18
6.2.2,515,2,Fuentealba & Reyes (PW86 version),2,135,0,True,True,True,False,False,15,2.241114490796147e-08,63
6.2.2,516,1,DePristo and Kress,2,135,10,True,True,True,False,False,6,1.4710319378252818e-10,18
6.2.2,516,2,DePristo and Kress,2,135,10,True,True,True,False,False,15,5.68357095594754e-09,63
6.2.2,517,1,Perdew,2,135,10,True,True,True,False,False,6,1.4651070786733524e-10,18
6.2.2,517,2,Perdew,2,135,10,True,True,True,False,False,15,1.5484898782496907e-10,63
6.2.2,518,1,"Vitos, Skriver, and Kollar",2,135,10,True,True,True,False,False,6,1.4675149932651373e-10,18
6.2.2,518,2,"Vitos, Skriver, and Kollar",2,135,10,True,True,True,False,False,15,5.943296771282269e-10,63
6.2.2,519,1,"Vitos, Johansson, Kollar, and Skriver",2,135,10,True,True,True,False,False,6,1.472812681868224e-10,18
6.2.2,519,2,"Vitos, Johansson, Kollar, and Skriver",2,135,10,True,True,True,False,False,15,1.7438379047450196e-09,63
6.2.2,520,1,Ernzerhof,2,135,10,True,True,True,False,False,6,1.4750354456538946e-10,18
6.2.2,520,2,Ernzerhof,2,135,10,True,True,True,False,False,15,1.5464235249543803e-10,63
6.2.2,521,1,Lembarki & Chermette,2,135,7,True,True,True,False,False,6,1.4185658507604403e-09,18
6.2.2,521,2,Lembarki & Chermette,2,135,7,True,True,True,False,False,15,8.903544313690918e-09,63
6.2.2,522,1,"Lee, Lee & Parr",2,135,0,True,True,True,False,False,6,1.476011171870351e-10,18
6.2.2,522,2,"Lee, Lee & Parr",2,135,0,True,True,True,False,False,15,7.005295671340718e-09,63
6.2.2,523,1,Thakkar 1992,2,135,0,True,True,True,False,False,6,1.083439598337082e-08,18
6.2.2,523,2,Thakkar 1992,2,135,0,True,True,True,False,False,15,3.2155895444114684e-08,63
6.2.2,524,1,short-range part of the PBE (default w=0 gives PBEh),2,135,1,True,True,True,False,False,6,1.0472369307742188e-10,18
6.2.2,524,2,short-range part of the PBE (default w=0 gives PBEh),2,135,1,True,True,True,False,False,15,8.925197522482222e-09,63
6.2.2,525,1,HJS screened exchange PBE version,2,135,16,True,True,True,False,False,6,1.101481433974161e-10,18
6.2.2,525,2,HJS screened exchange PBE version,2,135,16,True,True,True,False,False,15,1.9117844914755634e-09,63
6.2.2,526,1,HJS screened exchange PBE_SOL version,2,135,16,True,True,True,False,False,6,1.080484855770426e-10,18
6.2.2,526,2,HJS screened exchange PBE_SOL version,2,135,16,True,True,True,False,False,15,6.721355155211749e-10,63
6.2.2,527,1,HJS screened exchange B88 version,2,135,16,True,True,True,False,False,6,1.0851985240818045e-10,18
6.2.2,527,2,HJS screened exchange B88 version,2,135,16,True,True,True,False,False,15,6.292182649451153e-10,63
6.2.2,528,1,HJS screened exchange B97x version,2,135,16,True,True,True,False,False,6,1.0677844658652641e-10,18
6.2.2,528,2,HJS screened exchange B97x version,2,135,16,True,True,True,False,False,15,3.919899550574093e-10,63
6.2.2,529,1,Short-range recipe for B88 functional - erf,2,135,1,True,True,True,False,False,6,1.1197501713798857e-10,18
6.2.2,529,2,Short-range recipe for B88 functional - erf,2,135,1,True,True,True,False,False,15,4.811498907056883e-09,63
6.2.2,530,1,Short-range recipe for B88 functional - Yukawa,2,135,1,True,True,True,False,False,6,1.0815764739793422e-10,18
6.2.2,530,2,Short-range recipe for B88 functional - Yukawa,2,135,1,True,True,True,False,False,15,3.971002848009205e-09,63
6.2.2,531,1,wB97M-V exchange-correlation functional,64,1415,17,True,True,True,False,False,9,1.957292028990563e-09,30
6.2.2,531,2,wB97M-V exchange-correlation functional,64,1415,17,True,True,True,False,False,21,5.166131855398282e-08,108
6.2.2,532,1,Slater exchange with relativistic corrections,1,135,0,True,True,True,False,False,3,1.0981123099396251e-10,9
6.2.2,532,2,Slater exchange with relativistic corrections,1,135,0,True,True,True,False,False,6,1.0223947464716792e-10,18
6.2.2,533,1,Semiclassical GGA at fourth order,2,135,0,True,True,True,False,False,6,1.0689741777474765e-10,18
6.2.2,533,2,Semiclassical GGA at fourth order,2,135,0,True,True,True,False,False,15,3.0594350564731035e-09,63
6.2.2,534,1,Semiclassical GGA at fourth order,2,135,0,True,True,True,False,False,6,3.2890505369404746e-10,18
6.2.2,534,2,Semiclassical GGA at fourth order,2,135,0,True,True,True,False,False,15,1.1312962669290605e-09,63
6.2.2,535,1,Gilbert and Gill 1999,2,135,0,True,True,True,False,False,6,1.4112236035808526e-10,18
6.2.2,535,2,Gilbert and Gill 1999,2,135,0,True,True,True,False,False,15,1.3421902688456986e-10,63
6.2.2,536,1,LDA constructed from slab-like systems of 1 electron,1,39,0,True,True,True,False,False,3,1.6503268138973526e-10,9
6.2.2,536,2,LDA constructed from slab-like systems of 1 electron,1,39,0,True,True,True,False,False,6,8.159880605250319e-11,18
6.2.2,537,1,LDA constructed from slab-like systems of 2 electrons,1,39,0,True,True,True,False,False,3,1.5173144639409598e-10,9
6.2.2,537,2,LDA constructed from slab-like systems of 2 electrons,1,39,0,True,True,True,False,False,6,7.475578825715132e-11,18
6.2.2,538,1,LDA constructed from slab-like systems of 3 electrons,1,39,0,True,True,True,False,False,3,1.543317289523332e-10,9
6.2.2,538,2,LDA constructed from slab-like systems of 3 electrons,1,39,0,True,True,True,False,False,6,7.612511981697417e-11,18
6.2.2,539,1,PBE power,2,135,0,True,True,True,False,False,6,1.0611201639949984e-10,18
6.2.2,539,2,PBE power,2,135,0,True,True,True,False,False,15,1.3709903336393409e-10,63
6.2.2,540,1,Tao and Mo 2016 exchange,4,135,0,True,True,True,False,False,9,2.7651636768304695e-10,30
6.2.2,540,2,Tao and Mo 2016 exchange,4,135,0,True,True,True,False,False,21,1.408427571050389e-09,108
6.2.2,541,1,"meta-GGA version of VT{8,4} GGA",4,135,0,True,True,True,False,False,9,1.0387205409472325e-10,30
6.2.2,541,2,"meta-GGA version of VT{8,4} GGA",4,135,0,True,True,True,False,False,21,1.6788360758467953e-08,108
6.2.2,542,1,TPSS with correct surface asymptotics,4,135,0,True,True,True,False,False,9,8.810737966681782e-11,30
6.2.2,542,2,TPSS with correct surface asymptotics,4,135,0,True,True,True,False,False,21,2.0180544203622367e-08,108
6.2.2,543,1,Perdew and Constantin 2007,4,49287,2,True,True,True,False,False,12,1.4671714221641739e-10,45
6.2.2,543,2,Perdew and Constantin 2007,4,49287,2,True,True,True,False,False,27,1.546302361065321e-10,165
6.2.2,544,1,Gilbert and Gill 1999 (mixed),2,135,0,True,True,True,False,False,6,1.4112236035808526e-10,18
6.2.2,544,2,Gilbert and Gill 1999 (mixed),2,135,0,True,True,True,False,False,15,1.3255167872182468e-10,63
6.2.2,545,1,high local exchange 2016,2,135,15,True,True,True,False,False,6,1.1312356442870157e-08,18
6.2.2,545,2,high local exchange 2016,2,135,15,True,True,True,False,False,15,1.9737048395859495e-07,63
6.2.2,546,1,Short-range LDA exchange with error function kernel (erfc),1,135,1,True,True,True,False,False,3,1.1057224549862145e-10,9
6.2.2,546,2,Short-range LDA exchange with error function kernel (erfc),1,135,1,True,True,True,False,False,6,1.1713158755869325e-10,18
6.2.2,547,1,Lee-Parr reparametrization A,1,135,2,True,True,True,False,False,3,1.0750355176278742e-10,9
6.2.2,547,2,Lee-Parr reparametrization A,1,135,2,True,True,True,False,False,6,3.8326737830432087e-10,18
6.2.2,548,1,Lee-Parr reparametrization B,1,135,2,True,True,True,False,False,3,1.0887688883326627e-10,9
6.2.2,548,2,Lee-Parr reparametrization B,1,135,2,True,True,True,False,False,6,3.9509191779898737e-10,18
6.2.2,549,1,Rae self-energy corrected exchange,1,135,1,True,True,True,False,False,3,1.2349991414887052e-11,9
6.2.2,549,2,Rae self-energy corrected exchange,1,135,1,True,True,True,False,False,6,1.3734479341538978e-11,18
6.2.2,550,1,Wigner including kinetic energy contribution,1,135,0,True,True,True,False,False,3,1.609084061317242e-10,9
6.2.2,550,2,Wigner including kinetic energy contribution,1,135,0,True,True,True,False,False,6,1.6663829081865273e-10,18
6.2.2,551,1,McWeeny 76,1,135,2,True,True,True,False,False,3,1.385745022687301e-11,9
6.2.2,551,2,McWeeny 76,1,135,2,True,True,True,False,False,6,1.057974454997078e-10,18
6.2.2,552,1,Brual & Rothstein 78,1,135,2,True,True,True,False,False,3,9.064585540323145e-12,9
6.2.2,552,2,Brual & Rothstein 78,1,135,2,True,True,True,False,False,6,2.909636321559895e-11,18
6.2.2,553,1,GGA component of SCAN,2,135,0,True,True,True,False,False,6,5.17846018601865e-11,18
6.2.2,553,2,GGA component of SCAN,2,135,0,True,True,True,False,False,15,2.3693470832117705e-10,63
6.2.2,554,1,Proynov and Kong 2009,1,135,0,True,True,True,False,False,3,3.2201683607999804e-11,9
6.2.2,554,2,Proynov and Kong 2009,1,135,0,True,True,True,False,False,6,5.6982465005919784e-11,18
6.2.2,555,1,GapC,2,135,0,True,True,True,False,False,6,1.962553820836282e-11,18
6.2.2,555,2,GapC,2,135,0,True,True,True,False,False,15,9.382005929304267e-11,63
6.2.2,556,1,Gaploc,2,135,0,True,True,True,False,False,6,1.1374636411383805e-11,18
6.2.2,556,2,Gaploc,2,135,0,True,True,True,False,False,15,4.1995037068582916e-11,63
6.2.2,557,1,another spin-dependent correction to PBEint,2,135,0,True,True,True,False,False,6,8.16895891562055e-12,18
6.2.2,557,2,another spin-dependent correction to PBEint,2,135,0,True,True,True,False,False,15,4.9381336632115214e-11,63
6.2.2,558,1,another spin-dependent correction to PBEsol,2,135,0,True,True,True,False,False,6,5.483788766543079e-12,18
6.2.2,558,2,another spin-dependent correction to PBEsol,2,135,0,True,True,True,False,False,15,4.9539064820840693e-11,63
6.2.2,559,1,Takkar and McCarthy reparametrization,2,135,4,True,True,True,False,False,6,5.435821010489528e-12,18
6.2.2,559,2,Takkar and McCarthy reparametrization,2,135,4,True,True,True,False,False,15,1.329816779511525e-10,63
6.2.2,560,1,Thakkar and McCarthy reparametrization,2,135,3,True,True,True,False,False,6,9.373532736328624e-11,18
6.2.2,560,2,Thakkar and McCarthy reparametrization,2,135,3,True,True,True,False,False,15,4.3893845006974447e-10,63
6.2.2,561,1,Wilson 94 (Eq. 25),2,135,0,True,True,True,False,False,6,1.3848938509611573e-09,18
6.2.2,561,2,Wilson 94 (Eq. 25),2,135,0,True,True,True,False,False,15,4.783731484351421e-09,63
6.2.2,562,1,"Krieger, Chen, Iafrate, and Savin",4,135,0,True,True,True,False,False,9,7.961662872037131e-10,30
6.2.2,562,2,"Krieger, Chen, Iafrate, and Savin",4,135,0,True,True,True,False,False,21,3.130649162417639e-09,108
6.2.2,563,1,Hybrid based on KCIS,64,135,0,True,True,True,False,False,9,1.3745674820965322e-09,30
6.2.2,563,2,Hybrid based on KCIS,64,135,0,True,True,True,False,False,21,5.728224008388858e-09,108
6.2.2,564,1,"Lee & Parr, Eq. (56)",4,32903,0,True,True,True,False,False,12,1.0464193113582618e-10,45
6.2.2,564,2,"Lee & Parr, Eq. (56)",4,32903,0,True,True,True,False,False,27,5.1722247824307e-11,165
6.2.2,565,1,A dynamical correlation functional,2,135,0,True,True,True,False,False,6,7.741729828807199e-12,18
6.2.2,565,2,A dynamical correlation functional,2,135,0,True,True,True,False,False,15,1.4708282353595722e-09,63
6.2.2,566,1,MPW1KCIS for barrier heights,64,135,0,True,True,True,False,False,9,4.079577815232333e-09,30
6.2.2,566,2,MPW1KCIS for barrier heights,64,135,0,True,True,True,False,False,21,1.1577182571221115e-08,108
6.2.2,567,1,MPWKCIS1K for barrier heights,64,135,0,True,True,True,False,False,9,2.791871326999421e-09,30
6.2.2,567,2,MPWKCIS1K for barrier heights,64,135,0,True,True,True,False,False,21,9.940855481140355e-09,108
6.2.2,568,1,PBE1KCIS for binding energies,64,135,0,True,True,True,False,False,9,1.0318448725395402e-09,30
6.2.2,568,2,PBE1KCIS for binding energies,64,135,0,True,True,True,False,False,21,3.1317218654604323e-09,108
6.2.2,569,1,TPSS1KCIS for thermochemistry and kinetics,64,135,0,True,True,True,False,False,9,7.824007542692458e-10,30
6.2.2,569,2,TPSS1KCIS for thermochemistry and kinetics,64,135,0,True,True,True,False,False,21,9.711803306147297e-09,108
6.2.2,570,1,Becke 88 reoptimized to be used with tau1,2,135,2,True,True,True,False,False,6,1.0704705972882382e-10,18
6.2.2,570,2,Becke 88 reoptimized to be used with tau1,2,135,2,True,True,True,False,False,15,7.338297598656416e-09,63
6.2.2,571,1,Meta-GGA correlation by Becke,4,135,0,True,True,True,False,False,9,5.589123948164347e-11,30
6.2.2,571,2,Meta-GGA correlation by Becke,4,135,0,True,True,True,False,False,21,5.0968155296033135e-09,108
6.2.2,572,1,B5050LYP,32,135,3,True,True,True,False,False,6,7.337899928242691e-11,18
6.2.2,572,2,B5050LYP,32,135,3,True,True,True,False,False,15,5.025221477993158e-09,63
6.2.2,573,1,Wigner with corresponding LYP parameters,1,135,2,True,True,True,False,False,3,7.045832806939638e-12,9
6.2.2,573,2,Wigner with corresponding LYP parameters,1,135,2,True,True,True,False,False,6,4.9007569275186304e-11,18
6.2.2,574,1,Optimized Wigner,1,135,2,True,True,True,False,False,3,7.504781348573308e-12,9
6.2.2,574,2,Optimized Wigner,1,135,2,True,True,True,False,False,6,5.231154764872439e-11,18
6.2.2,575,1,GX functional of Loos,4,135,3,True,True,True,False,False,9,1.5296181106901157e-10,30
6.2.2,575,2,GX functional of Loos,4,135,3,True,True,True,False,False,21,1.840973237294378e-10,108
6.2.2,576,1,PBE-GX functional of Loos,4,135,0,True,True,True,False,False,9,1.5179483100485307e-10,30
6.2.2,576,2,PBE-GX functional of Loos,4,135,0,True,True,True,False,False,21,1.8289538923140748e-10,108
6.2.2,577,1,"Groth, Dornheim, Sjostrom, Malone, Foulkes, Bonitz",1,135,1,True,True,True,False,False,3,9.96808272831107e-11,9
6.2.2,577,2,"Groth, Dornheim, Sjostrom, Malone, Foulkes, Bonitz",1,135,1,True,True,True,False,False,6,8.953749543601731e-11,18
6.2.2,578,1,Gordon and Kim 1972,1,135,0,True,True,True,False,False,3,9.840272852506264e-12,9
6.2.2,578,2,Gordon and Kim 1972,1,135,0,True,True,True,False,False,6,4.9160234237855586e-12,18
6.2.2,579,1,Karasiev reparameterization of Chachiyo,1,135,6,True,True,True,False,False,3,1.1132038027884617e-11,9
6.2.2,579,2,Karasiev reparameterization of Chachiyo,1,135,6,True,True,True,False,False,6,4.1294491313407355e-11,18
6.2.2,580,1,Liu-Parr kinetic,1,135,3,True,True,True,False,False,3,1.163792169020121e-11,9
6.2.2,580,2,Liu-Parr kinetic,1,135,3,True,True,True,False,False,6,5.810333804020246e-12,18
6.2.2,581,1,revised SCAN,4,135,4,True,True,True,False,False,9,1.7875901237569188e-09,30
6.2.2,581,2,revised SCAN,4,135,4,True,True,True,False,False,21,8.641402987878752e-10,108
6.2.2,582,1,revised SCAN,4,135,0,True,True,True,False,False,9,1.7650593603721202e-09,30
6.2.2,582,2,revised SCAN,4,135,0,True,True,True,False,False,21,6.393500657686896e-10,108
6.2.2,583,1,revised SCAN hybrid exchange (SCAN0),64,135,1,True,True,True,False,False,9,1.5702223901802984e-09,30
6.2.2,583,2,revised SCAN hybrid exchange (SCAN0),64,135,1,True,True,True,False,False,21,7.300809725039118e-10,108
6.2.2,584,1,SCAN + VV10 correlation,4,1159,0,True,True,True,False,False,9,1.4729821864113353e-09,30
6.2.2,584,2,SCAN + VV10 correlation,4,1159,0,True,True,True,False,False,21,4.0741671025627974e-10,108
6.2.2,585,1,REVSCAN + VV10 correlation,4,1159,0,True,True,True,False,False,9,1.7650593603721202e-09,30
6.2.2,585,2,REVSCAN + VV10 correlation,4,1159,0,True,True,True,False,False,21,6.393500657686896e-10,108
6.2.2,586,1,"Becke-Roussel 89 with an explicit inversion of x(y), gamma = 0.8",4,32903,1,True,True,True,False,False,12,3.5249188072061337e-10,45
6.2.2,586,2,"Becke-Roussel 89 with an explicit inversion of x(y), gamma = 0.8",4,32903,1,True,True,True,False,False,27,3.777342782076507e-10,165
6.2.2,587,1,"Keal and Tozer, version 3",2,135,0,True,True,True,False,False,6,1.0413412436520568e-10,18
6.2.2,587,2,"Keal and Tozer, version 3",2,135,0,True,True,True,False,False,15,5.203929059308319e-09,63
6.2.2,588,1,"Baer and Neuhauser, gamma=1",128,647,1,True,True,True,False,False,3,1.0077727305248599e-10,9
6.2.2,588,2,"Baer and Neuhauser, gamma=1",128,647,1,True,True,True,False,False,6,8.726434238105409e-11,18
6.2.2,589,1,"Livshits and Baer, empirical functional also used for IP tuning",32,391,2,True,True,True,False,False,6,1.0181133949534546e-10,18
6.2.2,589,2,"Livshits and Baer, empirical functional also used for IP tuning",32,391,2,True,True,True,False,False,15,9.108158820997067e-11,63
6.2.2,590,1,Long-range LDA correlation functional,1,16519,1,True,True,True,False,False,3,3.797886152817448e-12,9
6.2.2,590,2,Long-range LDA correlation functional,1,16519,1,True,True,True,False,False,6,2.759198650461181e-11,18
6.2.2,591,1,Combined analytical theory with Monte Carlo sampling,2,135,0,True,True,True,False,False,6,2.878962938510385e-10,18
6.2.2,591,2,Combined analytical theory with Monte Carlo sampling,2,135,0,True,True,True,False,False,15,5.940925578847918e-10,63
6.2.2,592,1,As GDS08 but for an electron gas with spin,2,135,0,True,True,True,False,False,6,1.8097199206218135e-10,18
6.2.2,592,2,As GDS08 but for an electron gas with spin,2,135,0,True,True,True,False,False,15,3.2039824306495307e-10,63
6.2.2,593,1,Reparametrized GHDS10,2,135,0,True,True,True,False,False,6,1.7205082741858046e-10,18
6.2.2,593,2,Reparametrized GHDS10,2,135,0,True,True,True,False,False,15,3.528849395883089e-10,63
6.2.2,594,1,"Trickey, Karasiev, and Vela",2,135,0,True,True,True,False,False,6,1.7279093995377966e-10,18
6.2.2,594,2,"Trickey, Karasiev, and Vela",2,135,0,True,True,True,False,False,15,3.5769623878882676e-10,63
6.2.2,595,1,Three parameter PBE-like expansion,2,135,4,True,True,True,False,False,6,7.106928218536882e-09,18
6.2.2,595,2,Three parameter PBE-like expansion,2,135,4,True,True,True,False,False,15,3.690720414887583e-07,63
6.2.2,596,1,Four parameter PBE-like expansion,2,135,4,True,True,True,False,False,6,2.329319530023221e-09,18
6.2.2,596,2,Four parameter PBE-like expansion,2,135,4,True,True,True,False,False,15,1.42726487509441e-06,63
6.2.2,597,1,Intermediate form between PBE3 and PBE4,2,135,0,True,True,True,False,False,6,2.684002103210369e-07,18
6.2.2,597,2,Intermediate form between PBE3 and PBE4,2,135,0,True,True,True,False,False,15,6.249041752362653e-07,63
6.2.2,598,1,Becke 98,64,32903,0,True,True,True,False,False,12,1.5012423672590267e-09,45
6.2.2,598,2,Becke 98,64,32903,0,True,True,True,False,False,27,8.976762098889157e-10,165
6.2.2,599,1,Neural network LDA from Tozer et al,1,134,0,False,True,True,False,False,0,0,6
6.2.2,599,2,Neural network LDA from Tozer et al,1,134,0,False,True,True,False,False,0,0,15
6.2.2,600,1,Exchange in 1D for an exponentially screened interaction,1,39,1,True,True,True,False,False,3,1.2786472418494008e-10,9
6.2.2,600,2,Exchange in 1D for an exponentially screened interaction,1,39,1,True,True,True,False,False,6,1.3432226048613244e-10,18
6.2.2,601,1,Short-range recipe for PBE functional - Yukawa,2,135,1,True,True,True,False,False,6,1.0815209068156759e-10,18
6.2.2,601,2,Short-range recipe for PBE functional - Yukawa,2,135,1,True,True,True,False,False,15,3.006543826870734e-10,63
6.2.2,602,1,"Becke-Roussel 89 with an explicit inversion of x(y), gamma = 1.0",4,32903,1,True,True,True,False,False,12,2.40191624372493e-10,45
6.2.2,602,2,"Becke-Roussel 89 with an explicit inversion of x(y), gamma = 1.0",4,32903,1,True,True,True,False,False,27,4.137331851995023e-10,165
6.2.2,603,1,Regularized TPSS,4,135,0,True,True,True,False,False,9,1.0366785207357185e-10,30
6.2.2,603,2,Regularized TPSS,4,135,0,True,True,True,False,False,21,1.0791185226700636e-08,108
6.2.2,604,1,Functional derivative recovered from the stray LB94 potential,2,135,1,True,True,True,False,False,6,1.0018071999408046e-10,18
6.2.2,604,2,Functional derivative recovered from the stray LB94 potential,2,135,1,True,True,True,False,False,15,1.0584667571971626e-10,63
6.2.2,605,1,Revised FD_LB94,2,135,1,True,True,True,False,False,6,1.0018071999408046e-10,18
6.2.2,605,2,Revised FD_LB94,2,135,1,True,True,True,False,False,15,1.0584667571971626e-10,63
6.2.2,606,1,PBEloc variation with enhanced compatibility with exact exchange,2,135,0,True,True,True,False,False,6,1.596268510752159e-11,18
6.2.2,606,2,PBEloc variation with enhanced compatibility with exact exchange,2,135,0,True,True,True,False,False,15,6.32740995494817e-10,63
6.2.2,607,1,Hybrid based on APBE,32,135,0,True,True,True,False,False,6,8.631259438718973e-11,18
6.2.2,607,2,Hybrid based on APBE,32,135,0,True,True,True,False,False,15,6.221948810064282e-10,63
6.2.2,608,1,Hybrid based in APBE and zvPBEloc,32,135,0,True,True,True,False,False,6,9.00077672751956e-11,18
6.2.2,608,2,Hybrid based in APBE and zvPBEloc,32,135,0,True,True,True,False,False,15,6.037492175777513e-10,63
6.2.2,609,1,JS17 meta-GGA for 2D,4,71,0,True,True,True,False,False,9,2.0662838322533976e-08,30
6.2.2,609,2,JS17 meta-GGA for 2D,4,71,0,True,True,True,False,False,21,8.748077367177921e-08,108
6.2.2,610,1,"Similar to CAM-B3LYP, but trying to reduce the many-electron self-interaction",32,391,4,True,True,True,False,False,6,1.0172856376969907e-10,18
6.2.2,610,2,"Similar to CAM-B3LYP, but trying to reduce the many-electron self-interaction",32,391,4,True,True,True,False,False,15,3.918817731698952e-09,63
6.2.2,611,1,hybrid fitted to carbon NMR shifts,32,135,0,True,True,True,False,False,6,8.66156841102815e-11,18
6.2.2,611,2,hybrid fitted to carbon NMR shifts,32,135,0,True,True,True,False,False,15,6.601286190901757e-09,63
6.2.2,612,1,hybrid fitted to proton NMR shifts,32,135,0,True,True,True,False,False,6,1.0451083990358466e-10,18
6.2.2,612,2,hybrid fitted to proton NMR shifts,32,135,0,True,True,True,False,False,15,6.513484337922171e-09,63
6.2.2,613,1,Luo-Karasiev-Trickey GGA kinetic,2,135,1,True,True,True,False,False,6,1.5978365567265109e-10,18
6.2.2,613,2,Luo-Karasiev-Trickey GGA kinetic,2,135,1,True,True,True,False,False,15,2.635211697031677e-09,63
6.2.2,614,1,"CAM version of B3LYP, tuned for TDDFT",32,391,4,True,True,True,False,False,6,9.738583084090249e-11,18
6.2.2,614,2,"CAM version of B3LYP, tuned for TDDFT",32,391,4,True,True,True,False,False,15,5.85647768781181e-09,63
6.2.2,615,1,Long-range corrected short-range hybrid PBE (whPBE0) by Shao et al,32,391,3,True,True,True,False,False,6,4.095562636474242e-11,18
6.2.2,615,2,Long-range corrected short-range hybrid PBE (whPBE0) by Shao et al,32,391,3,True,True,True,False,False,15,6.490292560029293e-10,63
6.2.2,616,1,Three parameter PBE-like expansion,2,135,4,True,True,True,False,False,6,1.793723531814998e-10,18
6.2.2,616,2,Three parameter PBE-like expansion,2,135,4,True,True,True,False,False,15,6.51764541405423e-10,63
6.2.2,617,1,L0.4 by Laricchia et al,4,32903,1,True,True,True,False,False,12,1.4686356453194032e-10,45
6.2.2,617,2,L0.4 by Laricchia et al,4,32903,1,True,True,True,False,False,27,2.4405755219702674e-10,165
6.2.2,618,1,L0.6 by Laricchia et al,4,32903,1,True,True,True,False,False,12,1.4691254524449296e-10,45
6.2.2,618,2,L0.6 by Laricchia et al,4,32903,1,True,True,True,False,False,27,1.5469110094859144e-10,165
6.2.2,619,1,VT84F by Karasiev et al,2,135,2,True,True,True,False,False,6,1.5933520634229281e-09,18
6.2.2,619,2,VT84F by Karasiev et al,2,135,2,True,True,True,False,False,15,8.072683408117295e-08,63
6.2.2,620,1,LGAP by Constantin et al,2,135,4,True,True,True,False,False,6,1.2542703827993677e-09,18
6.2.2,620,2,LGAP by Constantin et al,2,135,4,True,True,True,False,False,15,7.170720976485795e-09,63
6.2.2,621,1,Reduced derivative approximation by Karasiev et al,4,32903,10,True,True,True,False,False,12,7.011285465289325e-10,45
6.2.2,621,2,Reduced derivative approximation by Karasiev et al,4,32903,10,True,True,True,False,False,27,1.0627411272048921e-07,165
6.2.2,622,1,Short-range recipe for OPTX functional,2,135,4,True,True,True,False,False,6,8.29499066949064e-08,18
6.2.2,622,2,Short-range recipe for OPTX functional,2,135,4,True,True,True,False,False,15,6.336810521532646e-07,63
6.2.2,623,1,Short-range recipe for PBE functional,2,135,3,True,True,True,False,False,6,1.1247952738366157e-10,18
6.2.2,623,2,Short-range recipe for PBE functional,2,135,3,True,True,True,False,False,15,2.940842469809807e-10,63
6.2.2,624,1,"Short-range LYP by Ai, Fang, and Su",2,135,7,True,True,True,False,False,6,9.848711993096573e-12,18
6.2.2,624,2,"Short-range LYP by Ai, Fang, and Su",2,135,7,True,True,True,False,False,15,6.815389119493117e-11,63
6.2.2,625,1,LC version of BLYP for electron affinities,32,391,1,True,True,True,False,False,6,1.1170992227120054e-10,18
6.2.2,625,2,LC version of BLYP for electron affinities,32,391,1,True,True,True,False,False,15,4.376316420637876e-09,63
6.2.2,626,1,Regularized Tao and Mo exchange,4,135,0,True,True,True,False,False,9,2.6997428621384713e-10,30
6.2.2,626,2,Regularized Tao and Mo exchange,4,135,0,True,True,True,False,False,21,8.394251787179671e-09,108
6.2.2,627,1,Second-order gradient expansion,4,32903,0,True,True,True,False,False,12,1.4671402140337808e-10,45
6.2.2,627,2,Second-order gradient expansion,4,32903,0,True,True,True,False,False,27,1.5460269731399723e-10,165
6.2.2,628,1,Fourth-order gradient expansion,4,32903,0,True,True,True,False,False,12,1.467196900476755e-10,45
6.2.2,628,2,Fourth-order gradient expansion,4,32903,0,True,True,True,False,False,27,1.5485294208454196e-10,165
6.2.2,629,1,"mGGA-rev functional by Cancio, Stewart, and Kuna (a=1)",4,32903,1,True,True,True,False,False,12,1.467138134177168e-10,45
6.2.2,629,2,"mGGA-rev functional by Cancio, Stewart, and Kuna (a=1)",4,32903,1,True,True,True,False,False,27,1.0853264693265082e-07,165
6.2.2,630,1,"mGGA-rev functional by Cancio, Stewart, and Kuna (a=4)",4,32903,1,True,True,True,False,False,12,1.467138134177168e-10,45
6.2.2,630,2,"mGGA-rev functional by Cancio, Stewart, and Kuna (a=4)",4,32903,1,True,True,True,False,False,27,1.5460287171131305e-10,165
6.2.2,631,1,"mGGAloc-rev functional by Cancio, Stewart, and Kuna (a=1)",4,32903,3,True,True,True,False,False,12,1.3846979951052782e-10,45
6.2.2,631,2,"mGGAloc-rev functional by Cancio, Stewart, and Kuna (a=1)",4,32903,3,True,True,True,False,False,27,2.859204115801333e-07,165
6.2.2,632,1,"mGGAloc-rev functional by Cancio, Stewart, and Kuna (a=4)",4,32903,3,True,True,True,False,False,12,1.3846979951052782e-10,45
6.2.2,632,2,"mGGAloc-rev functional by Cancio, Stewart, and Kuna (a=4)",4,32903,3,True,True,True,False,False,27,1.460522739350029e-10,165
6.2.2,633,1,LGAP-GE by Constantin et al,2,135,3,True,True,True,False,False,6,1.252760862274885e-09,18
6.2.2,633,2,LGAP-GE by Constantin et al,2,135,3,True,True,True,False,False,15,7.2010193911352955e-09,63
6.2.2,634,1,Reoptimized PC07 by Mejia-Rodriguez and Trickey,4,49287,2,True,True,True,False,False,12,1.3641301970182288e-10,45
6.2.2,634,2,Reoptimized PC07 by Mejia-Rodriguez and Trickey,4,49287,2,True,True,True,False,False,27,1.07118046649134e-08,165
6.2.2,635,1,empirically optimized gamma-TFvW form,2,135,2,True,True,True,False,False,6,1.5386238512651895e-10,18
6.2.2,635,2,empirically optimized gamma-TFvW form,2,135,2,True,True,True,False,False,15,2.6421241831225794e-10,63
6.2.2,636,1,LC version of B88,32,391,1,True,True,True,False,False,6,1.0858068522698144e-10,18
6.2.2,636,2,LC version of B88,32,391,1,True,True,True,False,False,15,6.855917796769202e-09,63
6.2.2,637,1,LC version of PBE,32,391,1,True,True,True,False,False,6,1.1083389747674243e-10,18
6.2.2,637,2,LC version of PBE,32,391,1,True,True,True,False,False,15,1.2461083985490028e-09,63
6.2.2,638,1,"Krieger, Chen, and Kurth",4,135,0,True,True,True,False,False,9,9.413990112004387e-12,30
6.2.2,638,2,"Krieger, Chen, and Kurth",4,135,0,True,True,True,False,False,21,9.941459407638823e-10,108
6.2.2,639,1,LC version of BLYP with correlation only in the short range,32,391,1,True,True,True,False,False,6,1.1362267808376167e-10,18
6.2.2,639,2,LC version of BLYP with correlation only in the short range,32,391,1,True,True,True,False,False,15,3.554517471419457e-09,63
6.2.2,640,1,"Modified CAM-B3LYP by Day, Nguyen and Pachter",32,391,4,True,True,True,False,False,6,9.69261211926334e-11,18
6.2.2,640,2,"Modified CAM-B3LYP by Day, Nguyen and Pachter",32,391,4,True,True,True,False,False,15,6.185795552122821e-09,63
6.2.2,641,1,Short-range LDA exchange with Yukawa attenuation,1,135,1,True,True,True,False,False,3,1.0622116435470136e-10,9
6.2.2,641,2,Short-range LDA exchange with Yukawa attenuation,1,135,1,True,True,True,False,False,6,1.1263114501255885e-10,18
6.2.2,642,1,Re-regularized SCAN correlation with larger value for eta,4,135,1,True,True,True,False,False,9,3.778726397931982e-09,30
6.2.2,642,2,Re-regularized SCAN correlation with larger value for eta,4,135,1,True,True,True,False,False,21,2.036240568021859e-09,108
6.2.2,643,1,Revised correlation energy for MGGAC exchange functional,4,135,0,True,True,True,False,False,9,6.973540708531876e-11,30
6.2.2,643,2,Revised correlation energy for MGGAC exchange functional,4,135,0,True,True,True,False,False,21,2.970812865165699e-10,108
6.2.2,644,1,MCML exchange,4,135,0,True,True,True,False,False,9,6.148870433262327e-10,30
6.2.2,644,2,MCML exchange,4,135,0,True,True,True,False,False,21,1.8004768359831557e-09,108
6.2.2,645,1,Re-regularized SCAN exchange by Furness et al with larger value for eta,4,135,6,True,True,True,False,False,9,1.6305548393330993e-09,30
6.2.2,645,2,Re-regularized SCAN exchange by Furness et al with larger value for eta,4,135,6,True,True,True,False,False,21,2.3292279698245922e-07,108
6.2.2,646,1,Swart 2012 range-separated hybrid GGA exchange,32,391,8,True,True,True,False,False,6,8.573972410431996e-11,18
6.2.2,646,2,Swart 2012 range-separated hybrid GGA exchange,32,391,8,True,True,True,False,False,15,2.0865070098298727e-08,63
6.2.2,647,1,Swart 2012 range-separated hybrid GGA exchange,32,391,8,True,True,True,False,False,6,1.4294113891079712e-10,18
6.2.2,647,2,Swart 2012 range-separated hybrid GGA exchange,32,391,8,True,True,True,False,False,15,1.2320402130428269e-08,63
6.2.2,648,1,r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior,4,135,4,True,True,True,False,False,9,2.5955770056134575e-09,30
6.2.2,648,2,r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior,4,135,4,True,True,True,False,False,21,1.278840374968022e-09,108
6.2.2,649,1,r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior,4,135,1,True,True,True,False,False,9,3.760854815076353e-09,30
6.2.2,649,2,r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior,4,135,1,True,True,True,False,False,21,2.042464278987151e-09,108
6.2.2,650,1,"r$^{4}$SCAN, a functional that satisfies the same exact constraints that SCAN does",4,135,8,True,True,True,False,False,9,1.7073764736793719e-09,30
6.2.2,650,2,"r$^{4}$SCAN, a functional that satisfies the same exact constraints that SCAN does",4,135,8,True,True,True,False,False,21,2.2769649287153109e-07,108
6.2.2,651,1,Exchange part of VCML-rVV10 by Trepte and Voss,4,135,0,True,True,True,False,False,9,5.212112017872505e-10,30
6.2.2,651,2,Exchange part of VCML-rVV10 by Trepte and Voss,4,135,0,True,True,True,False,False,21,1.0197175933311162e-09,108
6.2.2,652,1,VCML-rVV10 by Trepte and Voss,4,1159,0,True,True,True,False,False,9,4.920908186290785e-10,30
6.2.2,652,2,VCML-rVV10 by Trepte and Voss,4,1159,0,True,True,True,False,False,21,1.1072384443316062e-09,108
6.2.2,658,1,Google Accelerated Science 22,64,1415,16,True,True,True,False,False,9,8.329631083425867e-09,30
6.2.2,658,2,Google Accelerated Science 22,64,1415,16,True,True,True,False,False,21,6.812735167664045e-08,108
6.2.2,659,1,r2SCANh: r2SCAN hybrid like TPSSh with 10% exact exchange,64,135,1,True,True,True,False,False,9,7.534649549762808e-10,30
6.2.2,659,2,r2SCANh: r2SCAN hybrid like TPSSh with 10% exact exchange,64,135,1,True,True,True,False,False,21,2.656841092484031e-07,108
6.2.2,660,1,r2SCAN0: r2SCAN hybrid like PBE0 with 25% exact exchange,64,135,1,True,True,True,False,False,9,9.86084926056597e-10,30
6.2.2,660,2,r2SCAN0: r2SCAN hybrid like PBE0 with 25% exact exchange,64,135,1,True,True,True,False,False,21,2.53464038104397e-07,108
6.2.2,661,1,r2SCAN50: r2SCAN hybrid like PBE50 with 50% exact exchange,64,135,1,True,True,True,False,False,9,1.6370788726709871e-09,30
6.2.2,661,2,r2SCAN50: r2SCAN hybrid like PBE50 with 50% exact exchange,64,135,1,True,True,True,False,False,21,2.2271362171622795e-07,108
6.2.2,681,1,CAM hybrid screened exchange PBE version,32,391,3,True,True,True,False,False,6,5.1740280755030385e-11,18
6.2.2,681,2,CAM hybrid screened exchange PBE version,32,391,3,True,True,True,False,False,15,5.413225508856903e-10,63
6.2.2,682,1,CAMY hybrid screened exchange PBE version,32,647,3,True,True,True,False,False,6,3.599175967106079e-11,18
6.2.2,682,2,CAMY hybrid screened exchange PBE version,32,647,3,True,True,True,False,False,15,1.1968695087177072e-09,63
6.2.2,683,1,"Ruggeri, Rios, and Alavi unrestricted fit",1,135,22,True,True,True,False,False,3,1.1459594250828127e-11,9
6.2.2,683,2,"Ruggeri, Rios, and Alavi unrestricted fit",1,135,22,True,True,True,False,False,6,4.96413575851295e-11,18
6.2.2,684,1,"Ruggeri, Rios, and Alavi restricted fit",1,135,22,True,True,True,False,False,3,1.1294418645179457e-11,9
6.2.2,684,2,"Ruggeri, Rios, and Alavi restricted fit",1,135,22,True,True,True,False,False,6,4.928727104847339e-11,18
6.2.2,685,1,LDA-type exchange with tau-dependent potential,4,135,1,True,True,True,False,False,9,1.343383829188882e-10,30
6.2.2,685,2,LDA-type exchange with tau-dependent potential,4,135,1,True,True,True,False,False,21,1.599612465440871e-10,108
6.2.2,686,1,Tao 2001,4,49287,0,True,True,True,False,False,12,6.601277940592377e-10,45
6.2.2,686,2,Tao 2001,4,49287,0,True,True,True,False,False,27,6.211769122900655e-10,165
6.2.2,687,1,Generalized density-matrix with a=1/2,4,32903,3,True,True,True,False,False,12,4.2902591116315366e-10,45
6.2.2,687,2,Generalized density-matrix with a=1/2,4,32903,3,True,True,True,False,False,27,7.813837543171958e-10,165
6.2.2,688,1,Reparametrized local-density approximation,4,49287,1,True,True,True,False,False,12,1.734233144153514e-09,45
6.2.2,688,2,Reparametrized local-density approximation,4,49287,1,True,True,True,False,False,27,2.5309932998713283e-09,165
6.2.2,689,1,Generalized density-matrix with a=0,4,32903,3,True,True,True,False,False,12,4.2861345837954257e-10,45
6.2.2,689,2,Generalized density-matrix with a=0,4,32903,3,True,True,True,False,False,27,7.807803937546871e-10,165
6.2.2,690,1,Generalized density-matrix with a=0.00638,4,32903,3,True,True,True,False,False,12,4.2852265489976786e-10,45
6.2.2,690,2,Generalized density-matrix with a=0.00638,4,32903,3,True,True,True,False,False,27,7.803646727428124e-10,165
6.2.2,691,1,"Varied-terms (VT) mGGA of Koehl, Odom, and Scuseria",4,32903,3,True,True,True,False,False,12,2.7335784760159334e-10,45
6.2.2,691,2,"Varied-terms (VT) mGGA of Koehl, Odom, and Scuseria",4,32903,3,True,True,True,False,False,27,5.387047334860474e-10,165
6.2.2,692,1,simple local model for Slater potential,1,135,2,True,True,True,False,False,3,1.1903645934887923e-10,9
6.2.2,692,2,simple local model for Slater potential,1,135,2,True,True,True,False,False,6,1.2392871573224356e-10,18
6.2.2,693,1,revised Tao and Mo 2016 exchange,4,135,0,True,True,True,False,False,9,1.0195678419210717e-10,30
6.2.2,693,2,revised Tao and Mo 2016 exchange,4,135,0,True,True,True,False,False,21,3.9126713262875323e-10,108
6.2.2,694,1,revised Tao and Mo 2016 exchange,4,135,5,True,True,True,False,False,9,7.425536225160247e-12,30
6.2.2,694,2,revised Tao and Mo 2016 exchange,4,135,5,True,True,True,False,False,21,4.9744838837424044e-11,108
6.2.2,695,1,EDMGGA hybrid,64,49287,0,True,True,True,False,False,12,5.816767350857167e-10,45
6.2.2,695,2,EDMGGA hybrid,64,49287,0,True,True,True,False,False,27,5.109318558875522e-10,165
6.2.2,696,1,Modified Becke-Roussel for band gaps - cuspless hole,4,16519,0,True,True,True,False,False,9,7.27774404335008e-09,30
6.2.2,696,2,Modified Becke-Roussel for band gaps - cuspless hole,4,16519,0,True,True,True,False,False,21,4.405226634165327e-09,108
6.2.2,697,1,Modified Becke-Roussel for band gaps - hydrogen hole,4,16519,0,True,True,True,False,False,9,5.629466256421506e-10,30
6.2.2,697,2,Modified Becke-Roussel for band gaps - hydrogen hole,4,16519,0,True,True,True,False,False,21,2.7596164570653657e-08,108
6.2.2,698,1,Half-and-half meta-LDAized LDA exchange by Lehtola and Marques,4,135,1,True,True,True,False,False,9,1.7226445693657804e-10,30
6.2.2,698,2,Half-and-half meta-LDAized LDA exchange by Lehtola and Marques,4,135,1,True,True,True,False,False,21,1.888464657476279e-10,108
6.2.2,699,1,Half-and-half meta-LDAized PW correlation by Lehtola and Marques,4,135,1,True,True,True,False,False,9,5.7575851029502e-12,30
6.2.2,699,2,Half-and-half meta-LDAized PW correlation by Lehtola and Marques,4,135,1,True,True,True,False,False,21,3.227392603575953e-11,108
6.2.2,700,1,Deorbitalized SCAN (SCAN-L) exchange,4,32903,6,True,True,True,False,False,12,5.624583229159657e-10,45
6.2.2,700,2,Deorbitalized SCAN (SCAN-L) exchange,4,32903,6,True,True,True,False,False,27,1.5545579001398016e-07,165
6.2.2,701,1,Deorbitalized revised SCAN (revSCAN-L) exchange,4,32903,6,True,True,True,False,False,12,1.281091218276823e-10,45
6.2.2,701,2,Deorbitalized revised SCAN (revSCAN-L) exchange,4,32903,6,True,True,True,False,False,27,1.443571810055853e-07,165
6.2.2,702,1,Deorbitalized SCAN (SCAN-L) correlation,4,32903,2,True,True,True,False,False,12,1.6153111337804398e-10,45
6.2.2,702,2,Deorbitalized SCAN (SCAN-L) correlation,4,32903,2,True,True,True,False,False,27,1.1001502322700594e-09,165
6.2.2,703,1,SCAN-L + rVV10 correlation,4,33927,0,True,True,True,False,False,12,1.6153111337804398e-10,45
6.2.2,703,2,SCAN-L + rVV10 correlation,4,33927,0,True,True,True,False,False,27,1.1001502322700594e-09,165
6.2.2,704,1,SCAN-L + VV10 correlation,4,33927,0,True,True,True,False,False,12,1.6153111337804398e-10,45
6.2.2,704,2,SCAN-L + VV10 correlation,4,33927,0,True,True,True,False,False,27,1.1001502322700594e-09,165
6.2.2,705,1,"Jana and Samal 2018, screened range-separated TM exchange",64,391,2,True,True,True,False,False,9,2.6816663669521275e-10,30
6.2.2,705,2,"Jana and Samal 2018, screened range-separated TM exchange",64,391,2,True,True,True,False,False,21,1.4142355814446786e-09,108
6.2.2,706,1,"Patra, Jana and Samal 2018, screened range-separated TM exchange",64,391,1,True,True,True,False,False,9,1.675246969029411e-10,30
6.2.2,706,2,"Patra, Jana and Samal 2018, screened range-separated TM exchange",64,391,1,True,True,True,False,False,21,5.210470233351012e-09,108
6.2.2,707,1,TASK exchange of Aschebrock and Kuemmel,4,135,11,True,True,True,False,False,9,6.788891137319037e-10,30
6.2.2,707,2,TASK exchange of Aschebrock and Kuemmel,4,135,11,True,True,True,False,False,21,1.0085524128770183e-08,108
6.2.2,711,1,MGGAC exchange of Patra et al,4,135,0,True,True,True,False,False,9,1.8587108065117177e-08,30
6.2.2,711,2,MGGAC exchange of Patra et al,4,135,0,True,True,True,False,False,21,1.6985822426696054e-08,108
6.2.2,712,1,beta fitted to LC20 to be used with MGGAC,2,135,3,True,True,True,False,False,6,6.594580848361439e-12,18
6.2.2,712,2,beta fitted to LC20 to be used with MGGAC,2,135,3,True,True,True,False,False,15,4.956117768294396e-11,63
6.2.2,716,1,modified Becke-Roussel by Patra et al,4,135,3,True,True,True,False,False,9,9.20696189184885e-09,30
6.2.2,716,2,modified Becke-Roussel by Patra et al,4,135,3,True,True,True,False,False,21,5.9447075356891155e-08,108
6.2.2,718,1,Deorbitalized re-regularized SCAN (r2SCAN-L) exchange,4,32903,8,True,True,True,False,False,12,2.2521721814163892e-10,45
6.2.2,718,2,Deorbitalized re-regularized SCAN (r2SCAN-L) exchange,4,32903,8,True,True,True,False,False,27,7.684540069922277e-08,165
6.2.2,719,1,Deorbitalized re-regularized SCAN (r2SCAN-L) correlation,4,32903,2,True,True,True,False,False,12,7.229578669225446e-11,45
6.2.2,719,2,Deorbitalized re-regularized SCAN (r2SCAN-L) correlation,4,32903,2,True,True,True,False,False,27,9.991719358416439e-10,165
6.2.2,720,1,Long-range corrected TM-LYP by Jana et al,64,391,1,True,True,True,False,False,9,1.7844817237312418e-10,30
6.2.2,720,2,Long-range corrected TM-LYP by Jana et al,64,391,1,True,True,True,False,False,21,8.149932207612523e-09,108
6.2.2,724,1,modified TASK exchange,4,135,11,True,True,True,False,False,9,5.715032695299906e-10,30
6.2.2,724,2,modified TASK exchange,4,135,11,True,True,True,False,False,21,6.257786435525956e-09,108
6.2.2,734,1,Functional for quasi-1D systems,2,135,0,True,True,True,False,False,6,1.0285819187101456e-10,18
6.2.2,734,2,Functional for quasi-1D systems,2,135,0,True,True,True,False,False,15,4.7343816368544794e-08,63
6.2.2,735,1,KTBM learned exchange - 0,4,135,12,True,True,True,False,False,9,2.176293477113938e-10,30
6.2.2,735,2,KTBM learned exchange - 0,4,135,12,True,True,True,False,False,21,3.331487633268494e-10,108
6.2.2,736,1,KTBM learned exchange - 1,4,135,12,True,True,True,False,False,9,2.217171710392058e-10,30
6.2.2,736,2,KTBM learned exchange - 1,4,135,12,True,True,True,False,False,21,3.3294479567315115e-10,108
6.2.2,737,1,KTBM learned exchange - 2,4,135,12,True,True,True,False,False,9,2.4349110428802633e-10,30
6.2.2,737,2,KTBM learned exchange - 2,4,135,12,True,True,True,False,False,21,3.3523128191571256e-10,108
6.2.2,738,1,KTBM learned exchange - 3,4,135,12,True,True,True,False,False,9,3.5219733024952687e-10,30
6.2.2,738,2,KTBM learned exchange - 3,4,135,12,True,True,True,False,False,21,3.6786810023862176e-10,108
6.2.2,739,1,KTBM learned exchange - 4,4,135,12,True,True,True,False,False,9,3.691538584366275e-10,30
6.2.2,739,2,KTBM learned exchange - 4,4,135,12,True,True,True,False,False,21,3.73078709840662e-10,108
6.2.2,740,1,KTBM learned exchange - 5,4,135,12,True,True,True,False,False,9,1.7573165498114282e-10,30
6.2.2,740,2,KTBM learned exchange - 5,4,135,12,True,True,True,False,False,21,3.106559074856769e-10,108
6.2.2,741,1,KTBM learned exchange - 6,4,135,12,True,True,True,False,False,9,2.0160929381418965e-10,30
6.2.2,741,2,KTBM learned exchange - 6,4,135,12,True,True,True,False,False,21,3.345303075635154e-10,108
6.2.2,742,1,KTBM learned exchange - 7,4,135,12,True,True,True,False,False,9,2.8438035292623306e-10,30
6.2.2,742,2,KTBM learned exchange - 7,4,135,12,True,True,True,False,False,21,3.856450303919893e-10,108
6.2.2,743,1,KTBM learned exchange - 8,4,135,12,True,True,True,False,False,9,3.764968837069703e-10,30
6.2.2,743,2,KTBM learned exchange - 8,4,135,12,True,True,True,False,False,21,4.008657427742391e-10,108
6.2.2,744,1,KTBM learned exchange - 9,4,135,12,True,True,True,False,False,9,4.4992149434581297e-10,30
6.2.2,744,2,KTBM learned exchange - 9,4,135,12,True,True,True,False,False,21,4.3577711906498663e-10,108
6.2.2,745,1,KTBM learned exchange - 10,4,135,12,True,True,True,False,False,9,2.229449709713862e-10,30
6.2.2,745,2,KTBM learned exchange - 10,4,135,12,True,True,True,False,False,21,3.7234586429075957e-10,108
6.2.2,746,1,KTBM learned exchange - 11,4,135,12,True,True,True,False,False,9,2.464550480886502e-10,30
6.2.2,746,2,KTBM learned exchange - 11,4,135,12,True,True,True,False,False,21,3.8854490560676667e-10,108
6.2.2,747,1,KTBM learned exchange - 12,4,135,12,True,True,True,False,False,9,3.104392223929245e-10,30
6.2.2,747,2,KTBM learned exchange - 12,4,135,12,True,True,True,False,False,21,4.214542866946022e-10,108
6.2.2,748,1,KTBM learned exchange - 13,4,135,12,True,True,True,False,False,9,3.9850864351074533e-10,30
6.2.2,748,2,KTBM learned exchange - 13,4,135,12,True,True,True,False,False,21,4.566209808504494e-10,108
6.2.2,749,1,KTBM learned exchange - 14,4,135,12,True,True,True,False,False,9,4.666529604266484e-10,30
6.2.2,749,2,KTBM learned exchange - 14,4,135,12,True,True,True,False,False,21,4.682634892391072e-10,108
6.2.2,750,1,KTBM learned exchange - 15,4,135,12,True,True,True,False,False,9,2.366809527007648e-10,30
6.2.2,750,2,KTBM learned exchange - 15,4,135,12,True,True,True,False,False,21,4.103329166078814e-10,108
6.2.2,751,1,KTBM learned exchange - 16,4,135,12,True,True,True,False,False,9,2.7115121843945734e-10,30
6.2.2,751,2,KTBM learned exchange - 16,4,135,12,True,True,True,False,False,21,4.3195770251566895e-10,108
6.2.2,752,1,KTBM learned exchange - 17,4,135,12,True,True,True,False,False,9,3.424539853093291e-10,30
6.2.2,752,2,KTBM learned exchange - 17,4,135,12,True,True,True,False,False,21,4.6093680943414484e-10,108
6.2.2,753,1,KTBM learned exchange - 18,4,135,12,True,True,True,False,False,9,4.1294626889646867e-10,30
6.2.2,753,2,KTBM learned exchange - 18,4,135,12,True,True,True,False,False,21,4.747311286104896e-10,108
6.2.2,754,1,KTBM learned exchange - 19,4,135,12,True,True,True,False,False,9,4.612195256066711e-10,30
6.2.2,754,2,KTBM learned exchange - 19,4,135,12,True,True,True,False,False,21,4.740306240613547e-10,108
6.2.2,755,1,KTBM learned exchange - 20,4,135,12,True,True,True,False,False,9,3.2350790453250924e-10,30
6.2.2,755,2,KTBM learned exchange - 20,4,135,12,True,True,True,False,False,21,4.6401833212085503e-10,108
6.2.2,756,1,KTBM learned exchange - 21,4,135,12,True,True,True,False,False,9,3.5723151900115285e-10,30
6.2.2,756,2,KTBM learned exchange - 21,4,135,12,True,True,True,False,False,21,4.740210385381808e-10,108
6.2.2,757,1,KTBM learned exchange - 22,4,135,12,True,True,True,False,False,9,3.8746306479285824e-10,30
6.2.2,757,2,KTBM learned exchange - 22,4,135,12,True,True,True,False,False,21,4.803598408502022e-10,108
6.2.2,758,1,KTBM learned exchange - 23,4,135,12,True,True,True,False,False,9,4.28493576312752e-10,30
6.2.2,758,2,KTBM learned exchange - 23,4,135,12,True,True,True,False,False,21,4.786138327314049e-10,108
6.2.2,759,1,KTBM learned exchange - 24,4,135,12,True,True,True,False,False,9,5.282718139489959e-10,30
6.2.2,759,2,KTBM learned exchange - 24,4,135,12,True,True,True,False,False,21,4.901181191753193e-10,108
6.2.2,760,1,KTBM learned exchange - GAP,4,135,12,True,True,True,False,False,9,8.702876662816214e-10,30
6.2.2,760,2,KTBM learned exchange - GAP,4,135,12,True,True,True,False,False,21,8.787243222131029e-10,108
6.2.2,100001,1,Combined analytical theory with Monte Carlo sampling,1,135,3,True,True,True,False,False,3,2.127640133472314e-10,9
6.2.2,100001,2,Combined analytical theory with Monte Carlo sampling,1,135,3,True,True,True,False,False,6,2.6624139967734505e-10,18
7.0.0,1,1,Slater exchange,1,131215,0,True,True,True,True,False,3,1.0018071999408046e-10,12
7.0.0,1,2,Slater exchange,1,131215,0,True,True,True,True,False,6,1.0563156534430734e-10,30
7.0.0,2,1,Wigner,1,131215,2,True,True,True,True,False,3,4.276526780725612e-12,12
7.0.0,2,2,Wigner,1,131215,2,True,True,True,True,False,6,8.359958445336138e-11,30
7.0.0,3,1,Random Phase Approximation (RPA),1,131215,0,True,True,True,True,False,3,1.0921295724522552e-11,12
7.0.0,3,2,Random Phase Approximation (RPA),1,131215,0,True,True,True,True,False,6,5.434698926541388e-12,30
7.0.0,4,1,Hedin & Lundqvist,1,131215,4,True,True,True,True,False,3,1.0442438181545858e-11,12
7.0.0,4,2,Hedin & Lundqvist,1,131215,4,True,True,True,True,False,6,5.1991977517815e-12,30
7.0.0,5,1,Gunnarson & Lundqvist,1,131215,4,True,True,True,True,False,3,1.4205358016596315e-11,12
7.0.0,5,2,Gunnarson & Lundqvist,1,131215,4,True,True,True,True,False,6,3.187284643982311e-11,30
7.0.0,6,1,Slater's Xalpha,1,131215,1,True,True,True,True,False,3,6.83951244679375e-11,12
7.0.0,6,2,Slater's Xalpha,1,131215,1,True,True,True,True,False,6,7.350973434546022e-11,30
7.0.0,7,1,"Vosko, Wilk & Nusair (VWN5)",1,131215,0,True,True,True,True,False,3,1.1534119895120366e-11,12
7.0.0,7,2,"Vosko, Wilk & Nusair (VWN5)",1,131215,0,True,True,True,True,False,6,5.076094545031894e-11,30
7.0.0,8,1,"Vosko, Wilk & Nusair (VWN5_RPA)",1,131215,0,True,True,True,True,False,3,1.2220618692277422e-11,12
7.0.0,8,2,"Vosko, Wilk & Nusair (VWN5_RPA)",1,131215,0,True,True,True,True,False,6,3.9523811396969384e-11,30
7.0.0,9,1,Perdew & Zunger,1,131215,14,True,True,True,True,False,3,1.1010236809859633e-11,12
7.0.0,9,2,Perdew & Zunger,1,131215,14,True,True,True,True,False,6,4.3061067507980545e-11,30
7.0.0,10,1,Perdew & Zunger (Modified),1,131215,14,True,True,True,True,False,3,1.1010236809859633e-11,12
7.0.0,10,2,Perdew & Zunger (Modified),1,131215,14,True,True,True,True,False,6,4.3061067507980545e-11,30
7.0.0,11,1,Ortiz & Ballone (PZ parametrization),1,131215,14,True,True,True,True,False,3,9.570175870908803e-12,12
7.0.0,11,2,Ortiz & Ballone (PZ parametrization),1,131215,14,True,True,True,True,False,6,4.491750289311879e-11,30
7.0.0,12,1,Perdew & Wang,1,131215,22,True,True,True,True,False,3,1.1341353619130334e-11,12
7.0.0,12,2,Perdew & Wang,1,131215,22,True,True,True,True,False,6,4.9645517063839326e-11,30
7.0.0,13,1,Perdew & Wang (modified),1,131215,22,True,True,True,True,False,3,1.1294418645179457e-11,12
7.0.0,13,2,Perdew & Wang (modified),1,131215,22,True,True,True,True,False,6,4.9793278326291495e-11,30
7.0.0,14,1,Ortiz & Ballone (PW parametrization),1,131215,22,True,True,True,True,False,3,1.1333400073423955e-11,12
7.0.0,14,2,Ortiz & Ballone (PW parametrization),1,131215,22,True,True,True,True,False,6,4.7725333125492915e-11,30
7.0.0,15,1,AMGB (for 2D systems),1,131151,0,True,True,True,True,False,3,3.130662698839349e-11,12
7.0.0,15,2,AMGB (for 2D systems),1,131151,0,True,True,True,True,False,6,9.985208565556657e-11,30
7.0.0,16,1,PRM (for 2D systems),1,131151,1,True,True,True,True,False,3,2.4441906226318445e-11,12
7.0.0,16,2,PRM (for 2D systems),1,131151,1,True,True,True,True,False,6,1.2354367410061956e-11,30
7.0.0,17,1,von Barth & Hedin,1,131215,4,True,True,True,True,False,3,1.1820714574448176e-11,12
7.0.0,17,2,von Barth & Hedin,1,131215,4,True,True,True,True,False,6,3.9574951443095e-11,30
7.0.0,18,1,"Casula, Sorella & Senatore",1,131119,2,True,True,True,True,False,3,3.7461001131526107e-10,12
7.0.0,18,2,"Casula, Sorella & Senatore",1,131119,2,True,True,True,True,False,6,3.1132978344963944e-10,30
7.0.0,19,1,Slater exchange,1,131151,0,True,True,True,True,False,3,1.2376495268328408e-10,12
7.0.0,19,2,Slater exchange,1,131151,0,True,True,True,True,False,6,1.3315483648484685e-10,30
7.0.0,20,1,Teter 93,1,131215,0,True,True,True,True,False,3,9.986441052299699e-11,12
7.0.0,20,2,Teter 93,1,131215,0,True,True,True,True,False,6,9.261749595957905e-11,30
7.0.0,21,1,Exchange in 1D for an soft-Coulomb interaction,1,131119,1,True,True,True,True,False,3,1.5631394958816964e-10,12
7.0.0,21,2,Exchange in 1D for an soft-Coulomb interaction,1,131119,1,True,True,True,True,False,6,1.7454106331832945e-10,30
7.0.0,22,1,Modified LSD (version 1) of Proynov and Salahub,1,131215,2,True,True,True,True,False,3,1.3222863686253637e-11,12
7.0.0,22,2,Modified LSD (version 1) of Proynov and Salahub,1,131215,2,True,True,True,True,False,6,6.843483273881094e-11,30
7.0.0,23,1,Modified LSD (version 2) of Proynov and Salahub,1,131215,2,True,True,True,True,False,3,6.095336368410165e-12,12
7.0.0,23,2,Modified LSD (version 2) of Proynov and Salahub,1,131215,2,True,True,True,True,False,6,2.5604015285218517e-11,30
7.0.0,24,1,Gombas,1,131215,0,True,True,True,True,False,3,1.0387113063225789e-11,12
7.0.0,24,2,Gombas,1,131215,0,True,True,True,True,False,6,5.14815318391402e-12,30
7.0.0,25,1,Perdew & Wang (fit to the RPA energy),1,131215,22,True,True,True,True,False,3,1.2293554208429724e-11,12
7.0.0,25,2,Perdew & Wang (fit to the RPA energy),1,131215,22,True,True,True,True,False,6,4.5367287657094525e-11,30
7.0.0,26,1,P-F Loos correlation LDA,1,131119,0,True,True,True,True,False,3,9.747121834375982e-11,12
7.0.0,26,2,P-F Loos correlation LDA,1,131119,0,True,True,True,True,False,6,4.867072153578654e-11,30
7.0.0,27,1,Ragot-Cortona,1,131215,0,True,True,True,True,False,3,1.170810387951744e-11,12
7.0.0,27,2,Ragot-Cortona,1,131215,0,True,True,True,True,False,6,3.60748280162996e-11,30
7.0.0,28,1,"Vosko, Wilk & Nusair (VWN1)",1,131215,0,True,True,True,True,False,3,1.1534119895120366e-11,12
7.0.0,28,2,"Vosko, Wilk & Nusair (VWN1)",1,131215,0,True,True,True,True,False,6,4.318382616963158e-11,30
7.0.0,29,1,"Vosko, Wilk & Nusair (VWN2)",1,131215,0,True,True,True,True,False,3,1.1534119895120366e-11,12
7.0.0,29,2,"Vosko, Wilk & Nusair (VWN2)",1,131215,0,True,True,True,True,False,6,5.0094540961947135e-11,30
7.0.0,30,1,"Vosko, Wilk & Nusair (VWN3)",1,131215,0,True,True,True,True,False,3,1.1534119895120366e-11,12
7.0.0,30,2,"Vosko, Wilk & Nusair (VWN3)",1,131215,0,True,True,True,True,False,6,5.045001674824698e-11,30
7.0.0,31,1,"Vosko, Wilk & Nusair (VWN4)",1,131215,0,True,True,True,True,False,3,1.1534119895120366e-11,12
7.0.0,31,2,"Vosko, Wilk & Nusair (VWN4)",1,131215,0,True,True,True,True,False,6,5.149791134230259e-11,30
7.0.0,32,1,Minnesota GAM exhange functional,2,131215,16,True,True,True,True,False,6,1.0424139390875487e-10,30
7.0.0,32,2,Minnesota GAM exhange functional,2,131215,16,True,True,True,True,False,15,6.551879658695504e-09,168
7.0.0,33,1,Minnesota GAM correlation functional,2,147599,10,True,True,True,True,False,6,1.7364659750883297e-08,30
7.0.0,33,2,Minnesota GAM correlation functional,2,147599,10,True,True,True,True,False,15,1.7889724342595572e-07,168
7.0.0,34,1,HCTH-A,2,131215,5,True,True,True,True,False,6,4.5621461245033555e-10,30
7.0.0,34,2,HCTH-A,2,131215,5,True,True,True,True,False,15,4.558209909166557e-08,168
7.0.0,35,1,Engel and Vosko,2,131215,6,True,True,True,True,False,6,1.0431444384346698e-10,30
7.0.0,35,2,Engel and Vosko,2,131215,6,True,True,True,True,False,15,1.196691280916284e-08,168
7.0.0,36,1,Dispersionless Density Functional,64,196751,0,True,True,True,True,False,9,2.524575531633522e-10,60
7.0.0,36,2,Dispersionless Density Functional,64,196751,0,True,True,True,True,False,21,4.0578995777306976e-10,360
7.0.0,37,1,Dispersionless Density Functional,4,196751,13,True,True,True,True,False,9,1.0847947318261434e-09,60
7.0.0,37,2,Dispersionless Density Functional,4,196751,13,True,True,True,True,False,21,4.2453701399754703e-07,360
7.0.0,38,1,"Burke, Cancio, Gould, and Pittalis",2,131215,2,True,True,True,True,False,6,1.068558068940554e-10,30
7.0.0,38,2,"Burke, Cancio, Gould, and Pittalis",2,131215,2,True,True,True,True,False,15,5.006676022732464e-10,168
7.0.0,39,1,"acGGA, asymptotically corrected GGA correlation",2,131215,0,True,True,True,True,False,6,5.09156788682284e-11,30
7.0.0,39,2,"acGGA, asymptotically corrected GGA correlation",2,131215,0,True,True,True,True,False,15,1.9696451708670554e-10,168
7.0.0,40,1,lambda_OC2(N) version of PBE,2,131215,3,True,True,True,True,False,6,1.0602573678620227e-10,30
7.0.0,40,2,lambda_OC2(N) version of PBE,2,131215,3,True,True,True,True,False,15,6.832089716278142e-10,168
7.0.0,41,1,Revised Becke 86 with modified gradient correction,2,131215,3,True,True,True,True,False,6,1.0321324276573074e-10,30
7.0.0,41,2,Revised Becke 86 with modified gradient correction,2,131215,3,True,True,True,True,False,15,1.0921396196074752e-10,168
7.0.0,42,1,"Zhao, Levy & Parr, Eq. (21)",4,163983,0,True,True,True,True,False,9,1.0863348046587798e-10,60
7.0.0,42,2,"Zhao, Levy & Parr, Eq. (21)",4,163983,0,True,True,True,True,False,21,6.024915079412676e-11,360
7.0.0,43,1,"Zhao, Levy & Parr, Eq. (20)",1,131215,0,True,True,True,True,False,3,1.0891498020192961e-10,12
7.0.0,43,2,"Zhao, Levy & Parr, Eq. (20)",1,131215,0,True,True,True,True,False,6,5.374317514484115e-11,30
7.0.0,44,1,lambda_CH(N) version of PBE,2,131215,3,True,True,True,True,False,6,1.0611427823309471e-10,30
7.0.0,44,2,lambda_CH(N) version of PBE,2,131215,3,True,True,True,True,False,15,4.163489496615135e-10,168
7.0.0,45,1,lambda_LO(N) version of PBE,2,131215,3,True,True,True,True,False,6,1.0590356323913351e-10,30
7.0.0,45,2,lambda_LO(N) version of PBE,2,131215,3,True,True,True,True,False,15,3.7417959520368935e-10,168
7.0.0,46,1,HJS screened exchange B88 corrected version,2,131215,16,True,True,True,True,False,6,1.1090992215643901e-10,30
7.0.0,46,2,HJS screened exchange B88 corrected version,2,131215,16,True,True,True,True,False,15,2.715314937389467e-09,168
7.0.0,47,1,Chiodo et al,2,131215,0,True,True,True,True,False,6,1.2119939233831399e-11,30
7.0.0,47,2,Chiodo et al,2,131215,0,True,True,True,True,False,15,5.53497658818663e-11,168
7.0.0,48,1,Chiodo et al,2,131215,0,True,True,True,True,False,6,1.0312985029378445e-10,30
7.0.0,48,2,Chiodo et al,2,131215,0,True,True,True,True,False,15,3.061353568168344e-10,168
7.0.0,49,1,"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",2,131215,2,True,True,True,True,False,6,1.0761763679817011e-10,30
7.0.0,49,2,"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",2,131215,2,True,True,True,True,False,15,6.350874359524505e-10,168
7.0.0,50,1,Thomas-Fermi kinetic energy,1,131215,0,True,True,True,True,False,3,1.434775095491765e-10,12
7.0.0,50,2,Thomas-Fermi kinetic energy,1,131215,0,True,True,True,True,False,6,1.5059213345119017e-10,30
7.0.0,51,1,Lee and Parr Gaussian ansatz for the kinetic energy,1,131215,0,True,True,True,True,False,3,1.444634218244908e-10,12
7.0.0,51,2,Lee and Parr Gaussian ansatz for the kinetic energy,1,131215,0,True,True,True,True,False,6,1.516970076175807e-10,30
7.0.0,52,1,Thomas-Fermi plus von Weiszaecker correction,2,131215,2,True,True,True,True,False,6,1.740591879964501e-10,30
7.0.0,52,2,Thomas-Fermi plus von Weiszaecker correction,2,131215,2,True,True,True,True,False,15,3.647126176669127e-10,168
7.0.0,53,1,interpolated version of revAPBE,2,131215,0,True,True,True,True,False,6,1.468914148005605e-10,30
7.0.0,53,2,interpolated version of revAPBE,2,131215,0,True,True,True,True,False,15,2.746248852660129e-09,168
7.0.0,54,1,interpolated version of APBE,2,131215,0,True,True,True,True,False,6,1.4701302297606148e-10,30
7.0.0,54,2,interpolated version of APBE,2,131215,0,True,True,True,True,False,15,2.826939767375384e-09,168
7.0.0,55,1,revised APBE,2,131215,0,True,True,True,True,False,6,1.477835029819521e-10,30
7.0.0,55,2,revised APBE,2,131215,0,True,True,True,True,False,15,2.067898293256841e-10,168
7.0.0,56,1,Armiento & Kuemmel 2013,2,131215,2,True,True,True,True,False,6,9.811386166807635e-10,30
7.0.0,56,2,Armiento & Kuemmel 2013,2,131215,2,True,True,True,True,False,15,2.066818278385213e-08,168
7.0.0,57,1,"Meyer,  Wang, and Young",2,131215,0,True,True,True,True,False,6,1.4959288279072492e-08,30
7.0.0,57,2,"Meyer,  Wang, and Young",2,131215,0,True,True,True,True,False,15,9.80000669787569e-09,168
7.0.0,58,1,Berland and Hyldgaard,2,131215,0,True,True,True,True,False,6,1.0288414586344488e-10,30
7.0.0,58,2,Berland and Hyldgaard,2,131215,0,True,True,True,True,False,15,1.0809968391883769e-10,168
7.0.0,59,1,PBE revised by Tognetti et al,2,131215,2,True,True,True,True,False,6,1.0608931718082264e-10,30
7.0.0,59,2,PBE revised by Tognetti et al,2,131215,2,True,True,True,True,False,15,1.6595812232613131e-10,168
7.0.0,60,1,PBE for hybrid interfaces,2,131215,4,True,True,True,True,False,6,1.0349980586707705e-10,30
7.0.0,60,2,PBE for hybrid interfaces,2,131215,4,True,True,True,True,False,15,1.9244549506144562e-10,168
7.0.0,61,1,spin-dependent gradient correction to PBEint,2,131215,0,True,True,True,True,False,6,8.16895891562055e-12,30
7.0.0,61,2,spin-dependent gradient correction to PBEint,2,131215,0,True,True,True,True,False,15,4.930528717136689e-11,168
7.0.0,62,1,PBE for hybrid interfaces,2,131215,3,True,True,True,True,False,6,8.168938329149084e-12,30
7.0.0,62,2,PBE for hybrid interfaces,2,131215,3,True,True,True,True,False,15,4.94601099149521e-11,168
7.0.0,63,1,spin-dependent gradient correction to PBEsol,2,131215,0,True,True,True,True,False,6,5.483767564060984e-12,30
7.0.0,63,2,spin-dependent gradient correction to PBEsol,2,131215,0,True,True,True,True,False,15,4.943371796757893e-11,168
7.0.0,64,1,oTPSS-D functional of Goerigk and Grimme,4,196751,0,True,True,True,True,False,9,8.906016535163701e-11,60
7.0.0,64,2,oTPSS-D functional of Goerigk and Grimme,4,196751,0,True,True,True,True,False,21,9.419215113011452e-09,360
7.0.0,65,1,oPBE-D functional of Goerigk and Grimme,2,131215,0,True,True,True,True,False,6,1.0180609406653696e-10,30
7.0.0,65,2,oPBE-D functional of Goerigk and Grimme,2,131215,0,True,True,True,True,False,15,1.8522106640770403e-10,168
7.0.0,66,1,oPWLYP-D functional of Goerigk and Grimme,2,131215,0,True,True,True,True,False,6,3.0805123989167806e-09,30
7.0.0,66,2,oPWLYP-D functional of Goerigk and Grimme,2,131215,0,True,True,True,True,False,15,3.188239686764003e-08,168
7.0.0,67,1,oBLYP-D functional of Goerigk and Grimme,2,131215,0,True,True,True,True,False,6,1.0608260362912441e-10,30
7.0.0,67,2,oBLYP-D functional of Goerigk and Grimme,2,131215,0,True,True,True,True,False,15,6.80512048538181e-09,168
7.0.0,68,1,"VMT{8,4} with constraint satisfaction with mu = mu_GE",2,131215,0,True,True,True,True,False,6,1.6613312932829755e-09,30
7.0.0,68,2,"VMT{8,4} with constraint satisfaction with mu = mu_GE",2,131215,0,True,True,True,True,False,15,2.659663907203981e-10,168
7.0.0,69,1,"VMT{8,4} with constraint satisfaction with mu = mu_PBE",2,131215,0,True,True,True,True,False,6,1.2485221736877485e-09,30
7.0.0,69,2,"VMT{8,4} with constraint satisfaction with mu = mu_PBE",2,131215,0,True,True,True,True,False,15,1.7259330706490362e-09,168
7.0.0,70,1,"Vela, Medel, and Trickey with mu = mu_GE",2,131215,0,True,True,True,True,False,6,1.034717300808673e-10,30
7.0.0,70,2,"Vela, Medel, and Trickey with mu = mu_GE",2,131215,0,True,True,True,True,False,15,1.0931062057269541e-10,168
7.0.0,71,1,"Vela, Medel, and Trickey with mu = mu_PBE",2,131215,0,True,True,True,True,False,6,1.0612490758869675e-10,30
7.0.0,71,2,"Vela, Medel, and Trickey with mu = mu_PBE",2,131215,0,True,True,True,True,False,15,2.456953485045079e-10,168
7.0.0,72,1,Colle and Salvetti,4,229519,0,True,True,True,True,False,12,2.148648631611629e-11,105
7.0.0,72,2,Colle and Salvetti,4,229519,0,True,True,True,True,False,27,1.5563815287948336e-10,660
7.0.0,73,1,Minnesota MN12-SX correlation functional,4,196751,24,True,True,True,True,False,9,4.172213934050069e-09,60
7.0.0,73,2,Minnesota MN12-SX correlation functional,4,196751,24,True,True,True,True,False,21,2.046348467983433e-09,360
7.0.0,74,1,Minnesota MN12-L correlation functional,4,196751,24,True,True,True,True,False,9,1.5593746107802266e-09,60
7.0.0,74,2,Minnesota MN12-L correlation functional,4,196751,24,True,True,True,True,False,21,7.985897207042897e-10,360
7.0.0,75,1,Minnesota M11-L correlation functional,4,196751,24,True,True,True,True,False,9,3.968968289923963e-09,60
7.0.0,75,2,Minnesota M11-L correlation functional,4,196751,24,True,True,True,True,False,21,1.8287561068808165e-09,360
7.0.0,76,1,Minnesota M11 correlation functional,4,196751,24,True,True,True,True,False,9,3.342759735134798e-09,60
7.0.0,76,2,Minnesota M11 correlation functional,4,196751,24,True,True,True,True,False,21,1.6020603959912367e-09,360
7.0.0,77,1,Minnesota M08-SO correlation functional,4,196751,24,True,True,True,True,False,9,1.030380311240277e-08,60
7.0.0,77,2,Minnesota M08-SO correlation functional,4,196751,24,True,True,True,True,False,21,4.801037090873658e-09,360
7.0.0,78,1,Minnesota M08 correlation functional,4,196751,24,True,True,True,True,False,9,7.735448487567964e-09,60
7.0.0,78,2,Minnesota M08 correlation functional,4,196751,24,True,True,True,True,False,21,3.6355557779009262e-09,360
7.0.0,79,1,Minnesota N12-SX correlation functional,2,131215,10,True,True,True,True,False,6,6.4197476649498035e-09,30
7.0.0,79,2,Minnesota N12-SX correlation functional,2,131215,10,True,True,True,True,False,15,6.974887304511503e-08,168
7.0.0,80,1,Minnesota N12 correlation functional,2,131215,10,True,True,True,True,False,6,7.401896554066649e-08,30
7.0.0,80,2,Minnesota N12 correlation functional,2,131215,10,True,True,True,True,False,15,1.397721705318408e-06,168
7.0.0,81,1,Minnesota N12-SX exchange functional,32,131471,18,True,True,True,True,False,6,9.411654302879234e-11,30
7.0.0,81,2,Minnesota N12-SX exchange functional,32,131471,18,True,True,True,True,False,15,1.581132744335715e-10,168
7.0.0,82,1,Minnesota N12 exchange functional,2,131215,16,True,True,True,True,False,6,9.715559937676221e-11,30
7.0.0,82,2,Minnesota N12 exchange functional,2,131215,16,True,True,True,True,False,15,9.269233764924088e-09,168
7.0.0,83,1,regularized TPSS correlation,2,131215,0,True,True,True,True,False,6,1.0001744948659346e-11,30
7.0.0,83,2,regularized TPSS correlation,2,131215,0,True,True,True,True,False,15,4.953543196912012e-11,168
7.0.0,84,1,one-parameter progressive functional (Xalpha version),2,131215,0,True,True,True,True,False,6,8.240630697322833e-12,30
7.0.0,84,2,one-parameter progressive functional (Xalpha version),2,131215,0,True,True,True,True,False,15,4.625594139256428e-11,168
7.0.0,85,1,one-parameter progressive functional (G96 version),2,131215,0,True,True,True,True,False,6,1.1545979990763576e-09,30
7.0.0,85,2,one-parameter progressive functional (G96 version),2,131215,0,True,True,True,True,False,15,3.173834363869199e-08,168
7.0.0,86,1,one-parameter progressive functional (PBE version),2,131215,0,True,True,True,True,False,6,6.462754348996265e-12,30
7.0.0,86,2,one-parameter progressive functional (PBE version),2,131215,0,True,True,True,True,False,15,1.2113245707408906e-09,168
7.0.0,87,1,one-parameter progressive functional (B88 version),2,131215,0,True,True,True,True,False,6,4.2377995917950986e-11,30
7.0.0,87,2,one-parameter progressive functional (B88 version),2,131215,0,True,True,True,True,False,15,7.334659535913229e-09,168
7.0.0,88,1,Filatov & Thiel correlation,2,131215,0,True,True,True,True,False,6,4.637728063330929e-09,30
7.0.0,88,2,Filatov & Thiel correlation,2,131215,0,True,True,True,True,False,15,1.533360767587786e-06,168
7.0.0,89,1,PBE correlation to be used with the SSB exchange,2,131215,3,True,True,True,True,False,6,3.440540531909511e-11,30
7.0.0,89,2,PBE correlation to be used with the SSB exchange,2,131215,3,True,True,True,True,False,15,1.4029108357234123e-10,168
7.0.0,90,1,"Swart, Sola and Bickelhaupt correction to PBE",2,131215,5,True,True,True,True,False,6,1.0270185112458324e-10,30
7.0.0,90,2,"Swart, Sola and Bickelhaupt correction to PBE",2,131215,5,True,True,True,True,False,15,3.143858978014269e-08,168
7.0.0,91,1,"Swart, Sola and Bickelhaupt",2,131215,8,True,True,True,True,False,6,1.372739374686229e-10,30
7.0.0,91,2,"Swart, Sola and Bickelhaupt",2,131215,8,True,True,True,True,False,15,3.868664230179987e-08,168
7.0.0,92,1,"Swart, Sola and Bickelhaupt dispersion",2,131215,8,True,True,True,True,False,6,1.4849158171102581e-10,30
7.0.0,92,2,"Swart, Sola and Bickelhaupt dispersion",2,131215,8,True,True,True,True,False,15,4.4765224227514846e-08,168
7.0.0,93,1,HCTH/407+,2,131215,15,True,True,True,True,False,6,1.6052302247402294e-08,30
7.0.0,93,2,HCTH/407+,2,131215,15,True,True,True,True,False,15,5.4565466785297714e-08,168
7.0.0,94,1,HCTH p=7/6,2,131215,15,True,True,True,True,False,6,9.772078191680412e-10,30
7.0.0,94,2,HCTH p=7/6,2,131215,15,True,True,True,True,False,15,2.1216574470830562e-07,168
7.0.0,95,1,HCTH p=1/4,2,131215,15,True,True,True,True,False,6,7.626729993276606e-09,30
7.0.0,95,2,HCTH p=1/4,2,131215,15,True,True,True,True,False,15,2.77616099332419e-07,168
7.0.0,96,1,Becke 97 GGA-1,2,131215,15,True,True,True,True,False,6,1.143740136413329e-08,30
7.0.0,96,2,Becke 97 GGA-1,2,131215,15,True,True,True,True,False,15,4.266876599171807e-07,168
7.0.0,97,1,HCTH-A,2,131215,0,True,True,True,True,False,6,3.7202930614213128e-09,30
7.0.0,97,2,HCTH-A,2,131215,0,True,True,True,True,False,15,5.1138965012979686e-08,168
7.0.0,98,1,BPCCAC (GRAC for the energy),2,131215,0,True,True,True,True,False,6,1.063552739208738e-10,30
7.0.0,98,2,BPCCAC (GRAC for the energy),2,131215,0,True,True,True,True,False,15,1.666089359266715e-10,168
7.0.0,99,1,"Tognetti, Cortona, Adamo (revised)",2,131215,0,True,True,True,True,False,6,6.368957065296122e-10,30
7.0.0,99,2,"Tognetti, Cortona, Adamo (revised)",2,131215,0,True,True,True,True,False,15,2.1886097930811796e-09,168
7.0.0,100,1,"Tognetti, Cortona, Adamo",2,131215,0,True,True,True,True,False,6,6.368957065296122e-10,30
7.0.0,100,2,"Tognetti, Cortona, Adamo",2,131215,0,True,True,True,True,False,15,2.280997858751544e-09,168
7.0.0,101,1,"Perdew, Burke & Ernzerhof",2,131215,2,True,True,True,True,False,6,1.0603659293507671e-10,30
7.0.0,101,2,"Perdew, Burke & Ernzerhof",2,131215,2,True,True,True,True,False,15,3.753120177370052e-10,168
7.0.0,102,1,Revised PBE from Zhang & Yang,2,131215,2,True,True,True,True,False,6,1.0582290127061231e-10,30
7.0.0,102,2,Revised PBE from Zhang & Yang,2,131215,2,True,True,True,True,False,15,1.567117907594096e-10,168
7.0.0,103,1,Becke 86,2,131215,3,True,True,True,True,False,6,1.0636493023670289e-10,30
7.0.0,103,2,Becke 86,2,131215,3,True,True,True,True,False,15,3.097282658917314e-10,168
7.0.0,105,1,Becke 86 with modified gradient correction,2,131215,3,True,True,True,True,False,6,1.0673718018238574e-10,30
7.0.0,105,2,Becke 86 with modified gradient correction,2,131215,3,True,True,True,True,False,15,6.582808718079857e-10,168
7.0.0,106,1,Becke 88,2,131215,2,True,True,True,True,False,6,1.06818622196572e-10,30
7.0.0,106,2,Becke 88,2,131215,2,True,True,True,True,False,15,6.601623555117415e-09,168
7.0.0,107,1,Gill 96,2,131215,0,True,True,True,True,False,6,2.722944533779427e-09,30
7.0.0,107,2,Gill 96,2,131215,0,True,True,True,True,False,15,3.527287298004561e-08,168
7.0.0,108,1,Perdew & Wang 86,2,131215,3,True,True,True,True,False,6,1.0863498473617598e-10,30
7.0.0,108,2,Perdew & Wang 86,2,131215,3,True,True,True,True,False,15,4.0837760851392455e-08,168
7.0.0,109,1,Perdew & Wang 91,2,131215,7,True,True,True,True,False,6,2.2577725416039167e-09,30
7.0.0,109,2,Perdew & Wang 91,2,131215,7,True,True,True,True,False,15,1.0709427524546243e-08,168
7.0.0,110,1,Handy & Cohen OPTX 01,2,131215,3,True,True,True,True,False,6,1.0310378334971058e-10,30
7.0.0,110,2,Handy & Cohen OPTX 01,2,131215,3,True,True,True,True,False,15,6.645008960623068e-09,168
7.0.0,111,1,dePristo & Kress 87 version R1,2,131215,3,True,True,True,True,False,6,1.074673115547931e-09,30
7.0.0,111,2,dePristo & Kress 87 version R1,2,131215,3,True,True,True,True,False,15,2.8332794723329943e-08,168
7.0.0,112,1,dePristo & Kress 87 version R2,2,131215,3,True,True,True,True,False,6,1.0585860048313526e-09,30
7.0.0,112,2,dePristo & Kress 87 version R2,2,131215,3,True,True,True,True,False,15,2.7998062978736082e-08,168
7.0.0,113,1,Lacks & Gordon 93,2,131215,0,True,True,True,True,False,6,1.4496878770578144e-10,30
7.0.0,113,2,Lacks & Gordon 93,2,131215,0,True,True,True,True,False,15,2.571583087751792e-09,168
7.0.0,114,1,Filatov & Thiel 97 (version A),2,131215,3,True,True,True,True,False,6,1.0536660312420243e-10,30
7.0.0,114,2,Filatov & Thiel 97 (version A),2,131215,3,True,True,True,True,False,15,3.4178459074039397e-10,168
7.0.0,115,1,Filatov & Thiel 97 (version B),2,131215,3,True,True,True,True,False,6,1.0517002876277605e-10,30
7.0.0,115,2,Filatov & Thiel 97 (version B),2,131215,3,True,True,True,True,False,15,3.3772017190178075e-10,168
7.0.0,116,1,"Perdew, Burke & Ernzerhof SOL",2,131215,2,True,True,True,True,False,6,1.0335167513011109e-10,30
7.0.0,116,2,"Perdew, Burke & Ernzerhof SOL",2,131215,2,True,True,True,True,False,15,1.0931640902190921e-10,168
7.0.0,117,1,"Hammer, Hansen, and Norskov",2,131215,2,True,True,True,True,False,6,1.059773457744841e-10,30
7.0.0,117,2,"Hammer, Hansen, and Norskov",2,131215,2,True,True,True,True,False,15,1.292030431587746e-10,168
7.0.0,118,1,Wu & Cohen,2,131215,0,True,True,True,True,False,6,1.0601094095673368e-10,30
7.0.0,118,2,Wu & Cohen,2,131215,0,True,True,True,True,False,15,2.3425565778740543e-09,168
7.0.0,119,1,mPW91 of Adamo & Barone,2,131215,3,True,True,True,True,False,6,2.3042334429262094e-09,30
7.0.0,119,2,mPW91 of Adamo & Barone,2,131215,3,True,True,True,True,False,15,1.093331113151595e-08,168
7.0.0,120,1,Armiento & Mattsson 05,2,131215,2,True,True,True,True,False,6,1.0017586119950878e-10,30
7.0.0,120,2,Armiento & Mattsson 05,2,131215,2,True,True,True,True,False,15,1.7221563881091472e-09,168
7.0.0,121,1,Madsen 07,2,131215,0,True,True,True,True,False,6,1.0563842023969214e-10,30
7.0.0,121,2,Madsen 07,2,131215,0,True,True,True,True,False,15,8.473309914357311e-10,168
7.0.0,122,1,Adamo & Barone modification to PBE,2,131215,0,True,True,True,True,False,6,1.0593325509614952e-10,30
7.0.0,122,2,Adamo & Barone modification to PBE,2,131215,0,True,True,True,True,False,15,2.3918189759762563e-10,168
7.0.0,123,1,Extended PBE by Xu & Goddard III,2,131215,2,True,True,True,True,False,6,1.0656385018312233e-10,30
7.0.0,123,2,Extended PBE by Xu & Goddard III,2,131215,2,True,True,True,True,False,15,3.3055617292190523e-10,168
7.0.0,124,1,Becke 86 with modified gradient correction for 2D,2,131151,0,True,True,True,True,False,6,1.3287673980403124e-10,30
7.0.0,124,2,Becke 86 with modified gradient correction for 2D,2,131151,0,True,True,True,True,False,15,1.1749610620433458e-08,168
7.0.0,125,1,Bayesian best fit for the enhancement factor,2,131215,0,True,True,True,True,False,6,1.5106237961556724e-10,30
7.0.0,125,2,Bayesian best fit for the enhancement factor,2,131215,0,True,True,True,True,False,15,7.794832643626891e-09,168
7.0.0,126,1,"Reparametrized PBE by Pedroza, Silva & Capelle",2,131215,2,True,True,True,True,False,6,1.0402291366186863e-10,30
7.0.0,126,2,"Reparametrized PBE by Pedroza, Silva & Capelle",2,131215,2,True,True,True,True,False,15,1.563138432099799e-10,168
7.0.0,127,1,Becke 88 in 2D,2,131151,0,True,True,True,True,False,6,1.437692043773798e-09,30
7.0.0,127,2,Becke 88 in 2D,2,131151,0,True,True,True,True,False,15,5.9397109470020975e-08,168
7.0.0,128,1,Becke 86 in 2D,2,131151,0,True,True,True,True,False,6,1.324286537666814e-10,30
7.0.0,128,2,Becke 86 in 2D,2,131151,0,True,True,True,True,False,15,2.1413885109202722e-10,168
7.0.0,129,1,"Perdew, Burke & Ernzerhof in 2D",2,131151,0,True,True,True,True,False,6,2.9285073736361684e-10,30
7.0.0,129,2,"Perdew, Burke & Ernzerhof in 2D",2,131151,0,True,True,True,True,False,15,5.734360008703167e-08,168
7.0.0,130,1,"Perdew, Burke & Ernzerhof",2,131215,3,True,True,True,True,False,6,1.3262979124400489e-11,30
7.0.0,130,2,"Perdew, Burke & Ernzerhof",2,131215,3,True,True,True,True,False,15,5.586651027320367e-11,168
7.0.0,131,1,"Lee, Yang & Parr",2,131215,4,True,True,True,True,False,6,7.613906855030903e-12,30
7.0.0,131,2,"Lee, Yang & Parr",2,131215,4,True,True,True,True,False,15,1.1241670162389398e-10,168
7.0.0,132,1,Perdew 86,2,131215,7,True,True,True,True,False,6,2.588534311060253e-10,30
7.0.0,132,2,Perdew 86,2,131215,7,True,True,True,True,False,15,9.265527112245949e-10,168
7.0.0,133,1,"Perdew, Burke & Ernzerhof SOL",2,131215,3,True,True,True,True,False,6,5.483788766543079e-12,30
7.0.0,133,2,"Perdew, Burke & Ernzerhof SOL",2,131215,3,True,True,True,True,False,15,4.958025719868286e-11,168
7.0.0,134,1,Perdew & Wang 91,2,131215,0,True,True,True,True,False,6,5.747269729138902e-10,30
7.0.0,134,2,Perdew & Wang 91,2,131215,0,True,True,True,True,False,15,1.772327684281636e-09,168
7.0.0,135,1,Armiento & Mattsson 05,2,131215,2,True,True,True,True,False,6,5.1058872380061346e-11,30
7.0.0,135,2,Armiento & Mattsson 05,2,131215,2,True,True,True,True,False,15,1.4999257092090236e-08,168
7.0.0,136,1,Extended PBE by Xu & Goddard III,2,131215,3,True,True,True,True,False,6,7.227377187862268e-11,30
7.0.0,136,2,Extended PBE by Xu & Goddard III,2,131215,3,True,True,True,True,False,15,3.011628101449177e-10,168
7.0.0,137,1,Langreth & Mehl,2,131215,1,True,True,True,True,False,6,4.094633905692083e-10,30
7.0.0,137,2,Langreth & Mehl,2,131215,1,True,True,True,True,False,15,1.2694700834418641e-09,168
7.0.0,138,1,"Reparametrized PBE by Pedroza, Silva & Capelle",2,131215,3,True,True,True,True,False,6,5.4875762390659294e-12,30
7.0.0,138,2,"Reparametrized PBE by Pedroza, Silva & Capelle",2,131215,3,True,True,True,True,False,15,4.950267193329301e-11,168
7.0.0,139,1,opt-Becke 88 for vdW,2,131215,2,True,True,True,True,False,6,1.0563116212469867e-10,30
7.0.0,139,2,opt-Becke 88 for vdW,2,131215,2,True,True,True,True,False,15,5.6105317926078014e-09,168
7.0.0,140,1,Reparametrized PBE for vdW,2,131215,2,True,True,True,True,False,6,1.0598202007330187e-10,30
7.0.0,140,2,Reparametrized PBE for vdW,2,131215,2,True,True,True,True,False,15,2.4832551498578e-10,168
7.0.0,141,1,Reparametrized PBE for vdW,2,131215,0,True,True,True,True,False,6,1.0483671551425539e-10,30
7.0.0,141,2,Reparametrized PBE for vdW,2,131215,0,True,True,True,True,False,15,1.260243296791747e-10,168
7.0.0,142,1,Regularized PBE,2,131215,0,True,True,True,True,False,6,1.0336094351371973e-10,30
7.0.0,142,2,Regularized PBE,2,131215,0,True,True,True,True,False,15,1.1187813967179402e-10,168
7.0.0,143,1,Regularized PBE,2,131215,3,True,True,True,True,False,6,7.1277541893241475e-12,30
7.0.0,143,2,Regularized PBE,2,131215,3,True,True,True,True,False,15,4.960574539753455e-11,168
7.0.0,144,1,Refitted Perdew & Wang 86,2,131215,3,True,True,True,True,False,6,1.5553805668697257e-10,30
7.0.0,144,2,Refitted Perdew & Wang 86,2,131215,3,True,True,True,True,False,15,4.556740648467275e-08,168
7.0.0,145,1,Exchange part of Keal and Tozer version 1,2,131215,2,True,True,True,True,False,6,1.0028065658103098e-10,30
7.0.0,145,2,Exchange part of Keal and Tozer version 1,2,131215,2,True,True,True,True,False,15,1.0553072941453917e-10,168
7.0.0,146,1,"Keal and Tozer, version 2",2,131215,0,True,True,True,True,False,6,1.0321329182661931e-10,30
7.0.0,146,2,"Keal and Tozer, version 2",2,131215,0,True,True,True,True,False,15,1.0069834404722169e-10,168
7.0.0,147,1,Wilson & Levy,2,131215,0,True,True,True,True,False,6,2.2847970108778933e-08,30
7.0.0,147,2,Wilson & Levy,2,131215,0,True,True,True,True,False,15,1.8512443144884624e-07,168
7.0.0,148,1,Wilson & Ivanov,2,131215,5,True,True,True,True,False,6,2.7326905301423014e-11,30
7.0.0,148,2,Wilson & Ivanov,2,131215,5,True,True,True,True,False,15,1.2403661074448875e-10,168
7.0.0,149,1,Modified Becke 88 for proton transfer,2,131215,2,True,True,True,True,False,6,1.0176071554037906e-10,30
7.0.0,149,2,Modified Becke 88 for proton transfer,2,131215,2,True,True,True,True,False,15,7.504243110050173e-10,168
7.0.0,150,1,Second-order generalized gradient approximation,2,131215,0,True,True,True,True,False,6,1.0334881904548704e-10,30
7.0.0,150,2,Second-order generalized gradient approximation,2,131215,0,True,True,True,True,False,15,1.0885463989895496e-10,168
7.0.0,151,1,Second-order generalized gradient approximation 2011,2,131215,14,True,True,True,True,False,6,1.0447158450862206e-10,30
7.0.0,151,2,Second-order generalized gradient approximation 2011,2,131215,14,True,True,True,True,False,15,1.4453770730403857e-08,168
7.0.0,152,1,Second-order generalized gradient approximation 2011,2,131215,12,True,True,True,True,False,6,2.7077865890013503e-09,30
7.0.0,152,2,Second-order generalized gradient approximation 2011,2,131215,12,True,True,True,True,False,15,1.4411669047060971e-08,168
7.0.0,153,1,Wilson & Ivanov initial version,2,131215,5,True,True,True,True,False,6,1.49829473028521e-10,30
7.0.0,153,2,Wilson & Ivanov initial version,2,131215,5,True,True,True,True,False,15,6.453745702497962e-10,168
7.0.0,154,1,Tozer and Handy v. 1,2,131215,21,True,True,True,True,False,6,2.033431778043721e-09,30
7.0.0,154,2,Tozer and Handy v. 1,2,131215,21,True,True,True,True,False,15,2.2490437557825404e-08,168
7.0.0,155,1,Tozer and Handy v. 2,2,131215,0,True,True,True,True,False,6,4.995903846419247e-09,30
7.0.0,155,2,Tozer and Handy v. 2,2,131215,0,True,True,True,True,False,15,5.5858685180380285e-08,168
7.0.0,156,1,Tozer and Handy v. 3,2,131215,0,True,True,True,True,False,6,4.75172776120037e-09,30
7.0.0,156,2,Tozer and Handy v. 3,2,131215,0,True,True,True,True,False,15,5.738982142744605e-08,168
7.0.0,157,1,Tozer and Handy v. 4,2,131215,0,True,True,True,True,False,6,4.355889439302494e-09,30
7.0.0,157,2,Tozer and Handy v. 4,2,131215,0,True,True,True,True,False,15,5.3093259630138605e-08,168
7.0.0,158,1,C09x to be used with the VdW of Rutgers-Chalmers,2,131215,0,True,True,True,True,False,6,1.0298187260686869e-10,30
7.0.0,158,2,C09x to be used with the VdW of Rutgers-Chalmers,2,131215,0,True,True,True,True,False,15,1.0850105491916659e-10,168
7.0.0,159,1,To be used with HYB_GGA_X_SOGGA11_X,2,131215,12,True,True,True,True,False,6,3.18020044875435e-10,30
7.0.0,159,2,To be used with HYB_GGA_X_SOGGA11_X,2,131215,12,True,True,True,True,False,15,9.829874819040675e-10,168
7.0.0,160,1,van Leeuwen & Baerends,2,131214,0,False,True,True,True,False,0,0,27
7.0.0,160,2,van Leeuwen & Baerends,2,131214,0,False,True,True,True,False,0,0,165
7.0.0,161,1,HCTH/93,2,131215,15,True,True,True,True,False,6,1.9569930253999472e-09,30
7.0.0,161,2,HCTH/93,2,131215,15,True,True,True,True,False,15,1.7152414953144619e-07,168
7.0.0,162,1,HCTH/120,2,131215,15,True,True,True,True,False,6,2.2807967636070676e-10,30
7.0.0,162,2,HCTH/120,2,131215,15,True,True,True,True,False,15,1.386557216644896e-07,168
7.0.0,163,1,HCTH/147,2,131215,15,True,True,True,True,False,6,7.464553892550067e-09,30
7.0.0,163,2,HCTH/147,2,131215,15,True,True,True,True,False,15,2.3231712371210944e-07,168
7.0.0,164,1,HCTH/407,2,131215,15,True,True,True,True,False,6,1.742298524196878e-08,30
7.0.0,164,2,HCTH/407,2,131215,15,True,True,True,True,False,15,5.798989245226569e-07,168
7.0.0,165,1,EDF1,2,131215,0,True,True,True,True,False,6,2.630972302623414e-10,30
7.0.0,165,2,EDF1,2,131215,0,True,True,True,True,False,15,1.7004757858046127e-08,168
7.0.0,166,1,XLYP,2,131215,0,True,True,True,True,False,6,7.487407641499813e-10,30
7.0.0,166,2,XLYP,2,131215,0,True,True,True,True,False,15,8.787427484753525e-09,168
7.0.0,167,1,"Keal and Tozer, version 1",2,131215,0,True,True,True,True,False,6,1.0000307774381557e-10,30
7.0.0,167,2,"Keal and Tozer, version 1",2,131215,0,True,True,True,True,False,15,9.168060554023032e-11,168
7.0.0,168,1,"lsPBE, a PW91-like modification of PBE exchange",2,131215,3,True,True,True,True,False,6,1.0590225793929766e-10,30
7.0.0,168,2,"lsPBE, a PW91-like modification of PBE exchange",2,131215,3,True,True,True,True,False,15,3.8353476641818756e-10,168
7.0.0,169,1,"lsRPBE, a PW91-like modification of RPBE",2,131215,3,True,True,True,True,False,6,1.0616895587854415e-10,30
7.0.0,169,2,"lsRPBE, a PW91-like modification of RPBE",2,131215,3,True,True,True,True,False,15,1.2840080616922854e-10,168
7.0.0,170,1,Becke 97-D,2,131215,15,True,True,True,True,False,6,1.2742764453507845e-08,30
7.0.0,170,2,Becke 97-D,2,131215,15,True,True,True,True,False,15,2.1384648797268387e-07,168
7.0.0,171,1,Becke 86 reoptimized for use with vdW functional of Dion et al,2,131215,3,True,True,True,True,False,6,1.0355084622408935e-10,30
7.0.0,171,2,Becke 86 reoptimized for use with vdW functional of Dion et al,2,131215,3,True,True,True,True,False,15,1.0934079664895899e-10,168
7.0.0,172,1,Revised Minnesota M11 correlation functional,4,196751,24,True,True,True,True,False,9,3.9718402272031774e-10,60
7.0.0,172,2,Revised Minnesota M11 correlation functional,4,196751,24,True,True,True,True,False,21,2.2237080736318873e-10,360
7.0.0,173,1,PBE1W,2,131215,0,True,True,True,True,False,6,1.0194861170474487e-10,30
7.0.0,173,2,PBE1W,2,131215,0,True,True,True,True,False,15,4.239952973577417e-10,168
7.0.0,174,1,mPWLYP1w,2,131215,0,True,True,True,True,False,6,2.403789037003889e-09,30
7.0.0,174,2,mPWLYP1w,2,131215,0,True,True,True,True,False,15,1.1759825065971333e-08,168
7.0.0,175,1,PBELYP1W,2,131215,0,True,True,True,True,False,6,1.0565006427277312e-10,30
7.0.0,175,2,PBELYP1W,2,131215,0,True,True,True,True,False,15,3.974628323879408e-10,168
7.0.0,176,1,"acGGA+, asymptotically corrected GGA correlation+",2,131215,0,True,True,True,True,False,6,4.5690764491375645e-11,30
7.0.0,176,2,"acGGA+, asymptotically corrected GGA correlation+",2,131215,0,True,True,True,True,False,15,1.7762429073742967e-10,168
7.0.0,177,1,LDA hybrid exchange (LDA0),128,131215,0,True,True,True,True,False,3,8.73231100669729e-11,12
7.0.0,177,2,LDA hybrid exchange (LDA0),128,131215,0,True,True,True,True,False,6,7.996782849803504e-11,30
7.0.0,178,1,CAM version of LDA0,128,131471,0,True,True,True,True,False,3,8.947120112304388e-11,12
7.0.0,178,2,CAM version of LDA0,128,131471,0,True,True,True,True,False,6,7.773284456920337e-11,30
7.0.0,179,1,Becke 88 reoptimized with the 6-311G** basis set,2,131215,2,True,True,True,True,False,6,1.2603373515961165e-10,30
7.0.0,179,2,Becke 88 reoptimized with the 6-311G** basis set,2,131215,2,True,True,True,True,False,15,8.874840333103292e-09,168
7.0.0,180,1,Nearly correct asymptotic potential,2,131215,4,True,True,True,True,False,6,1.063792873189937e-10,30
7.0.0,180,2,Nearly correct asymptotic potential,2,131215,4,True,True,True,True,False,15,1.08180413956926e-09,168
7.0.0,181,1,NCAP exchange + P86 correlation,2,131215,0,True,True,True,True,False,6,3.7902303752903863e-10,30
7.0.0,181,2,NCAP exchange + P86 correlation,2,131215,0,True,True,True,True,False,15,1.3303186235532334e-09,168
7.0.0,182,1,van Leeuwen & Baerends modified,2,131214,0,False,True,True,True,False,0,0,27
7.0.0,182,2,van Leeuwen & Baerends modified,2,131214,0,False,True,True,True,False,0,0,165
7.0.0,183,1,Exchange form based on Ou-Yang and Levy v.2,2,131215,3,True,True,True,True,False,6,5.229301237039199e-08,30
7.0.0,183,2,Exchange form based on Ou-Yang and Levy v.2,2,131215,3,True,True,True,True,False,15,4.1382695671490795e-07,168
7.0.0,184,1,mu fixed from the semiclassical neutral atom,2,131215,2,True,True,True,True,False,6,1.0716130847124934e-10,30
7.0.0,184,2,mu fixed from the semiclassical neutral atom,2,131215,2,True,True,True,True,False,15,5.558692225375819e-10,168
7.0.0,185,1,mu fixed from the semiclassical neutral atom,2,131215,0,True,True,True,True,False,6,1.4757288004230046e-10,30
7.0.0,185,2,mu fixed from the semiclassical neutral atom,2,131215,0,True,True,True,True,False,15,4.844853617469733e-10,168
7.0.0,186,1,mu fixed from the semiclassical neutral atom,2,131215,3,True,True,True,True,False,6,2.1210237370643287e-11,30
7.0.0,186,2,mu fixed from the semiclassical neutral atom,2,131215,3,True,True,True,True,False,15,8.521727981915416e-11,168
7.0.0,187,1,Tran and Wesolowski set 1 (Table II),2,131215,0,True,True,True,True,False,6,1.4765710365821568e-10,30
7.0.0,187,2,Tran and Wesolowski set 1 (Table II),2,131215,0,True,True,True,True,False,15,4.445863039826073e-10,168
7.0.0,188,1,Tran and Wesolowski set 2 (Table II),2,131215,0,True,True,True,True,False,6,1.4737077802024866e-10,30
7.0.0,188,2,Tran and Wesolowski set 2 (Table II),2,131215,0,True,True,True,True,False,15,6.655105995894126e-10,168
7.0.0,189,1,Tran and Wesolowski set 3 (Table II),2,131215,0,True,True,True,True,False,6,1.4755251119334817e-10,30
7.0.0,189,2,Tran and Wesolowski set 3 (Table II),2,131215,0,True,True,True,True,False,15,4.1031071259618376e-10,168
7.0.0,190,1,Tran and Wesolowski set 4 (Table II),2,131215,0,True,True,True,True,False,6,1.4736989717321678e-10,30
7.0.0,190,2,Tran and Wesolowski set 4 (Table II),2,131215,0,True,True,True,True,False,15,3.924119165162524e-10,168
7.0.0,191,1,"Haas, Tran, Blaha, and Schwarz",2,131215,0,True,True,True,True,False,6,1.0601094095673368e-10,30
7.0.0,191,2,"Haas, Tran, Blaha, and Schwarz",2,131215,0,True,True,True,True,False,15,2.3425565778740543e-09,168
7.0.0,192,1,Constantin et al based on the Airy gas,2,131215,10,True,True,True,True,False,6,6.406126504553745e-10,30
7.0.0,192,2,Constantin et al based on the Airy gas,2,131215,10,True,True,True,True,False,15,1.3202638157658226e-08,168
7.0.0,193,1,Local Airy Gas,2,131215,10,True,True,True,True,False,6,1.3471474405404712e-10,30
7.0.0,193,2,Local Airy Gas,2,131215,10,True,True,True,True,False,15,6.548153799704037e-09,168
7.0.0,194,1,Functional for organometallic chemistry,2,131215,0,True,True,True,True,False,6,1.0042377102418212e-10,30
7.0.0,194,2,Functional for organometallic chemistry,2,131215,0,True,True,True,True,False,15,6.771545800107249e-09,168
7.0.0,195,1,Functional for barrier heights,2,131215,0,True,True,True,True,False,6,1.0292021890685018e-10,30
7.0.0,195,2,Functional for barrier heights,2,131215,0,True,True,True,True,False,15,8.853600575900895e-09,168
7.0.0,196,1,Tozer and Handy v. FL,2,131215,21,True,True,True,True,False,6,8.291379099275067e-11,30
7.0.0,196,2,Tozer and Handy v. FL,2,131215,21,True,True,True,True,False,15,8.882359719147635e-11,168
7.0.0,197,1,Tozer and Handy v. FC,2,131215,21,True,True,True,True,False,6,7.131244048464082e-09,30
7.0.0,197,2,Tozer and Handy v. FC,2,131215,21,True,True,True,True,False,15,7.018566269850442e-08,168
7.0.0,198,1,Tozer and Handy v. FCFO,2,131215,21,True,True,True,True,False,6,7.131244048464082e-09,30
7.0.0,198,2,Tozer and Handy v. FCFO,2,131215,21,True,True,True,True,False,15,7.264088084787419e-08,168
7.0.0,199,1,Tozer and Handy v. FCO,2,131215,21,True,True,True,True,False,6,6.320518580076032e-09,30
7.0.0,199,2,Tozer and Handy v. FCO,2,131215,21,True,True,True,True,False,15,6.539867396536996e-08,168
7.0.0,200,1,Optimized correlation functional of Cohen and Handy,2,131215,2,True,True,True,True,False,6,4.1652791305345824e-10,30
7.0.0,200,2,Optimized correlation functional of Cohen and Handy,2,131215,2,True,True,True,True,False,15,1.1003680587227007e-08,168
7.0.0,201,1,Local tau approximation,4,196751,1,True,True,True,True,False,9,9.495715156780281e-11,60
7.0.0,201,2,Local tau approximation,4,196751,1,True,True,True,True,False,21,1.0060929670589398e-10,360
7.0.0,202,1,"Tao, Perdew, Staroverov & Scuseria",4,196751,7,True,True,True,True,False,9,8.941901331866544e-11,60
7.0.0,202,2,"Tao, Perdew, Staroverov & Scuseria",4,196751,7,True,True,True,True,False,21,1.8992618244278423e-08,360
7.0.0,203,1,Minnesota M06-L exchange functional,4,196751,18,True,True,True,True,False,9,1.8825321279820667e-09,60
7.0.0,203,2,Minnesota M06-L exchange functional,4,196751,18,True,True,True,True,False,21,3.828518634447597e-09,360
7.0.0,204,1,GVT4 (X part of VSXC),4,196751,0,True,True,True,True,False,9,9.270138727484455e-10,60
7.0.0,204,2,GVT4 (X part of VSXC),4,196751,0,True,True,True,True,False,21,8.494672546551799e-10,360
7.0.0,205,1,tau-HCTH from Boese and Handy,4,196751,8,True,True,True,True,False,9,9.914556114325647e-11,60
7.0.0,205,2,tau-HCTH from Boese and Handy,4,196751,8,True,True,True,True,False,21,4.84579741121164e-09,360
7.0.0,206,1,"Becke-Roussel 89, gamma = 0.8",4,229519,2,True,True,True,True,False,12,3.8989134535856484e-08,105
7.0.0,206,2,"Becke-Roussel 89, gamma = 0.8",4,229519,2,True,True,True,True,False,27,2.2766808470872537e-08,660
7.0.0,207,1,Becke & Johnson 06,4,229518,2,False,True,True,True,False,0,0,102
7.0.0,207,2,Becke & Johnson 06,4,229518,2,False,True,True,True,False,0,0,657
7.0.0,208,1,Tran & Blaha 09,4,229518,2,False,True,True,True,False,0,0,102
7.0.0,208,2,Tran & Blaha 09,4,229518,2,False,True,True,True,False,0,0,657
7.0.0,209,1,"Rasanen, Pittalis & Proetto 09",4,229518,2,False,True,True,True,False,0,0,102
7.0.0,209,2,"Rasanen, Pittalis & Proetto 09",4,229518,2,False,True,True,True,False,0,0,657
7.0.0,210,1,Pittalis-Rasanen-Helbig-Gross 2007,4,245839,0,True,True,True,True,False,12,1.2600685126969336e-10,105
7.0.0,210,2,Pittalis-Rasanen-Helbig-Gross 2007,4,245839,0,True,True,True,True,False,27,1.3519232776594077e-10,660
7.0.0,211,1,PRHG07 with Pittalis-Rasanen-Proetto 2010 correction,4,180302,0,False,True,True,True,False,0,0,57
7.0.0,211,2,PRHG07 with Pittalis-Rasanen-Proetto 2010 correction,4,180302,0,False,True,True,True,False,0,0,357
7.0.0,212,1,"revised Tao, Perdew, Staroverov & Scuseria",4,196751,7,True,True,True,True,False,9,8.882678270242704e-11,60
7.0.0,212,2,"revised Tao, Perdew, Staroverov & Scuseria",4,196751,7,True,True,True,True,False,21,1.7302303704762904e-08,360
7.0.0,213,1,"Perdew, Kurth, Zupan, and Blaha",4,196751,0,True,True,True,True,False,9,4.2207724402839555e-10,60
7.0.0,213,2,"Perdew, Kurth, Zupan, and Blaha",4,196751,0,True,True,True,True,False,21,1.4973830805386684e-09,360
7.0.0,214,1,"Becke-Roussel 89, gamma = 1.0",4,229519,2,True,True,True,True,False,12,3.6172227168666585e-08,105
7.0.0,214,2,"Becke-Roussel 89, gamma = 1.0",4,229519,2,True,True,True,True,False,27,3.4248747461854316e-08,660
7.0.0,215,1,"Engel, Chevary, Macdonald and Vosko",2,131215,6,True,True,True,True,False,6,1.0278823907575827e-09,30
7.0.0,215,2,"Engel, Chevary, Macdonald and Vosko",2,131215,6,True,True,True,True,False,15,1.564205899359899e-08,168
7.0.0,216,1,"Perdew, Burke & Ernzerhof based on VWN correlation",2,131215,3,True,True,True,True,False,6,1.3844165068947806e-11,30
7.0.0,216,2,"Perdew, Burke & Ernzerhof based on VWN correlation",2,131215,3,True,True,True,True,False,15,5.6470312645449697e-11,168
7.0.0,217,1,Perdew 86 with more accurate value for ftilde,2,131215,7,True,True,True,True,False,6,2.582340738232428e-10,30
7.0.0,217,2,Perdew 86 with more accurate value for ftilde,2,131215,7,True,True,True,True,False,15,9.258349354894398e-10,168
7.0.0,218,1,"RATIONAL$^{p}$ by Lehtomaki and Lopez-Acevedo (by default $p=3/2$, $C_{2}=0.7687$)",2,131215,2,True,True,True,True,False,6,1.3041987623277197e-10,30
7.0.0,218,2,"RATIONAL$^{p}$ by Lehtomaki and Lopez-Acevedo (by default $p=3/2$, $C_{2}=0.7687$)",2,131215,2,True,True,True,True,False,15,2.551804063663646e-09,168
7.0.0,219,1,"PG1 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala",2,131215,1,True,True,True,True,False,6,1.569925789317022e-10,30
7.0.0,219,2,"PG1 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala",2,131215,1,True,True,True,True,False,15,1.492805728676658e-09,168
7.0.0,220,1,"PGSL025 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala",4,163983,2,True,True,True,True,False,9,1.4931214204897026e-10,60
7.0.0,220,2,"PGSL025 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala",4,163983,2,True,True,True,True,False,21,8.417959694227259e-09,360
7.0.0,221,1,"MS exchange of Sun, Xiao, and Ruzsinszky",4,196751,3,True,True,True,True,False,9,1.9637273067387387e-09,60
7.0.0,221,2,"MS exchange of Sun, Xiao, and Ruzsinszky",4,196751,3,True,True,True,True,False,21,3.4273000628670467e-09,360
7.0.0,222,1,"MS1 exchange of Sun, et al",4,196751,3,True,True,True,True,False,9,1.7284098460732632e-09,60
7.0.0,222,2,"MS1 exchange of Sun, et al",4,196751,3,True,True,True,True,False,21,2.9611420851031085e-09,360
7.0.0,223,1,"MS2 exchange of Sun, et al",4,196751,3,True,True,True,True,False,9,5.074348055712428e-10,60
7.0.0,223,2,"MS2 exchange of Sun, et al",4,196751,3,True,True,True,True,False,21,1.0208748565592477e-09,360
7.0.0,224,1,"MS2 hybrid exchange of Sun, et al",64,196751,0,True,True,True,True,False,9,4.852917727576335e-10,60
7.0.0,224,2,"MS2 hybrid exchange of Sun, et al",64,196751,0,True,True,True,True,False,21,9.783306332259703e-10,360
7.0.0,225,1,Tsuneda and Hirao,4,213135,0,True,True,True,True,False,9,1.3881270649801523e-09,60
7.0.0,225,2,Tsuneda and Hirao,4,213135,0,True,True,True,True,False,21,2.1340101954980284e-09,360
7.0.0,226,1,Minnesota M11-L exchange functional,4,196751,49,True,True,True,True,False,9,4.967874308497733e-09,60
7.0.0,226,2,Minnesota M11-L exchange functional,4,196751,49,True,True,True,True,False,21,4.284734885666978e-09,360
7.0.0,227,1,Minnesota MN12-L exchange functional,4,196751,40,True,True,True,True,False,9,1.210692665356064e-09,60
7.0.0,227,2,Minnesota MN12-L exchange functional,4,196751,40,True,True,True,True,False,21,1.7630048574609246e-09,360
7.0.0,228,1,"MS2 exchange of Sun, et al with revised value for c",4,196751,3,True,True,True,True,False,9,5.074310322538368e-10,60
7.0.0,228,2,"MS2 exchange of Sun, et al with revised value for c",4,196751,3,True,True,True,True,False,21,1.02091007678479e-09,360
7.0.0,229,1,Cancio and Chou 2006,4,163983,0,True,True,True,True,False,9,9.995475651907207e-11,60
7.0.0,229,2,Cancio and Chou 2006,4,163983,0,True,True,True,True,False,21,9.108915384718245e-11,360
7.0.0,230,1,Exchange for accurate virtual orbital energies,4,245903,1,True,True,True,True,False,12,1.4899673277428905e-09,105
7.0.0,230,2,Exchange for accurate virtual orbital energies,4,245903,1,True,True,True,True,False,27,2.250167131699756e-09,660
7.0.0,231,1,"Tao, Perdew, Staroverov & Scuseria",4,196751,6,True,True,True,True,False,9,1.0218742983663738e-11,60
7.0.0,231,2,"Tao, Perdew, Staroverov & Scuseria",4,196751,6,True,True,True,True,False,21,4.958422196385274e-11,360
7.0.0,232,1,VSXC (correlation part),4,196751,14,True,True,True,True,False,9,2.3637290784361357e-09,60
7.0.0,232,2,VSXC (correlation part),4,196751,14,True,True,True,True,False,21,3.432843479290502e-09,360
7.0.0,233,1,Minnesota M06-L correlation functional,4,196751,27,True,True,True,True,False,9,8.517892043248403e-09,60
7.0.0,233,2,Minnesota M06-L correlation functional,4,196751,27,True,True,True,True,False,21,8.007679044911553e-08,360
7.0.0,234,1,Minnesota M06-HF correlation functional,4,196751,27,True,True,True,True,False,9,5.7492398265150035e-09,60
7.0.0,234,2,Minnesota M06-HF correlation functional,4,196751,27,True,True,True,True,False,21,6.072313333338939e-07,360
7.0.0,235,1,Minnesota M06 correlation functional,4,196751,27,True,True,True,True,False,9,1.128033211487626e-08,60
7.0.0,235,2,Minnesota M06 correlation functional,4,196751,27,True,True,True,True,False,21,2.6916224082924466e-08,360
7.0.0,236,1,Minnesota M06-2X correlation functional,4,196751,27,True,True,True,True,False,9,4.283631605851699e-09,60
7.0.0,236,2,Minnesota M06-2X correlation functional,4,196751,27,True,True,True,True,False,21,2.8104904173899274e-07,360
7.0.0,237,1,Minnesota M05 correlation functional,4,196751,13,True,True,True,True,False,9,1.2618739879798236e-08,60
7.0.0,237,2,Minnesota M05 correlation functional,4,196751,13,True,True,True,True,False,21,3.0402530485464917e-07,360
7.0.0,238,1,Minnesota M05-2X correlation functional,4,196751,13,True,True,True,True,False,9,2.667583005317605e-09,60
7.0.0,238,2,Minnesota M05-2X correlation functional,4,196751,13,True,True,True,True,False,21,7.016416789310137e-07,360
7.0.0,239,1,"Perdew, Kurth, Zupan, and Blaha",4,196751,0,True,True,True,True,False,9,9.237974839308943e-12,60
7.0.0,239,2,"Perdew, Kurth, Zupan, and Blaha",4,196751,0,True,True,True,True,False,21,4.675214543405414e-10,360
7.0.0,240,1,Becke correlation 95,4,196751,2,True,True,True,True,False,9,4.019481703406963e-10,60
7.0.0,240,2,Becke correlation 95,4,196751,2,True,True,True,True,False,21,5.728446339794639e-08,360
7.0.0,241,1,revised TPSS correlation,4,196751,5,True,True,True,True,False,9,8.001269883559562e-12,60
7.0.0,241,2,revised TPSS correlation,4,196751,5,True,True,True,True,False,21,4.961174480868199e-11,360
7.0.0,242,1,TPSSLYP1W,4,196751,0,True,True,True,True,False,9,9.0061867202994e-11,60
7.0.0,242,2,TPSSLYP1W,4,196751,0,True,True,True,True,False,21,2.005106392803473e-08,360
7.0.0,243,1,Exchange for accurate virtual orbital energies (v. B),4,245903,0,True,True,True,True,False,12,1.4901297265728132e-09,105
7.0.0,243,2,Exchange for accurate virtual orbital energies (v. B),4,245903,0,True,True,True,True,False,27,2.250167131699756e-09,660
7.0.0,244,1,functional with balanced localization,4,196751,7,True,True,True,True,False,9,8.933575260400907e-11,60
7.0.0,244,2,functional with balanced localization,4,196751,7,True,True,True,True,False,21,1.7358225211603208e-08,360
7.0.0,245,1,"Modified Tao, Perdew, Staroverov & Scuseria",4,196751,7,True,True,True,True,False,9,8.962373173037966e-11,60
7.0.0,245,2,"Modified Tao, Perdew, Staroverov & Scuseria",4,196751,7,True,True,True,True,False,21,1.8780556297273673e-08,360
7.0.0,246,1,Semilocal dynamical correlation,2,131215,0,True,True,True,True,False,6,1.596268510752159e-11,30
7.0.0,246,2,Semilocal dynamical correlation,2,131215,0,True,True,True,True,False,15,7.421205719282162e-11,168
7.0.0,247,1,Semilocal dynamical correlation,4,196751,0,True,True,True,True,False,9,1.975597946620116e-11,60
7.0.0,247,2,Semilocal dynamical correlation,4,196751,0,True,True,True,True,False,21,8.259509241623147e-11,360
7.0.0,248,1,Minnesota MN12-SX hybrid exchange functional,64,197007,43,True,True,True,True,False,9,2.116681320070969e-09,60
7.0.0,248,2,Minnesota MN12-SX hybrid exchange functional,64,197007,43,True,True,True,True,False,21,3.1562812063168307e-09,360
7.0.0,249,1,mBEEF exchange,4,196751,0,True,True,True,True,False,9,2.6318936523845636e-09,60
7.0.0,249,2,mBEEF exchange,4,196751,0,True,True,True,True,False,21,4.001591419071037e-09,360
7.0.0,250,1,mBEEF-vdW exchange,4,196751,0,True,True,True,True,False,9,2.103255237568349e-09,60
7.0.0,250,2,mBEEF-vdW exchange,4,196751,0,True,True,True,True,False,21,3.878189052214509e-09,360
7.0.0,251,1,Tao and Mo 2016 correlation,4,196751,6,True,True,True,True,False,9,1.2103888612718713e-11,60
7.0.0,251,2,Tao and Mo 2016 correlation,4,196751,6,True,True,True,True,False,21,5.6374980189929484e-11,360
7.0.0,252,1,Perdew 86 based on VWN5 correlation,2,131215,7,True,True,True,True,False,6,2.588534311060253e-10,30
7.0.0,252,2,Perdew 86 based on VWN5 correlation,2,131215,7,True,True,True,True,False,15,9.265527112245949e-10,168
7.0.0,253,1,"Perdew 86 based on VWN5 correlation, with more accurate value for ftilde",2,131215,7,True,True,True,True,False,6,2.582340738232428e-10,30
7.0.0,253,2,"Perdew 86 based on VWN5 correlation, with more accurate value for ftilde",2,131215,7,True,True,True,True,False,15,9.258349354894398e-10,168
7.0.0,254,1,B97M-V exchange-correlation functional,4,197775,15,True,True,True,True,False,9,8.152622800969393e-10,60
7.0.0,254,2,B97M-V exchange-correlation functional,4,197775,15,True,True,True,True,False,21,1.2214911841860243e-08,360
7.0.0,255,1,Vydrov and Van Voorhis,2,132239,2,True,True,True,True,False,6,2.214353135204677e-10,30
7.0.0,255,2,Vydrov and Van Voorhis,2,132239,2,True,True,True,True,False,15,5.286087050315569e-08,168
7.0.0,256,1,Jemmer-Knowles meta-GGA exchange,4,163983,2,True,True,True,True,False,9,3.866387777779695e-09,60
7.0.0,256,2,Jemmer-Knowles meta-GGA exchange,4,163983,2,True,True,True,True,False,21,1.1869106875827899e-07,360
7.0.0,257,1,"MVS exchange of Sun, Perdew, and Ruzsinszky",4,196751,4,True,True,True,True,False,9,3.5027600199429215e-10,60
7.0.0,257,2,"MVS exchange of Sun, Perdew, and Ruzsinszky",4,196751,4,True,True,True,True,False,21,1.5419868675984309e-09,360
7.0.0,258,1,PBE for formation energies,2,131215,3,True,True,True,True,False,6,4.6501376982680075e-12,30
7.0.0,258,2,PBE for formation energies,2,131215,3,True,True,True,True,False,15,4.9688907675030155e-11,168
7.0.0,259,1,"Karasiev, Sjostrom, Dufty & Trickey",1,131215,1,True,True,True,True,False,3,9.959375327557263e-11,12
7.0.0,259,2,"Karasiev, Sjostrom, Dufty & Trickey",1,131215,1,True,True,True,True,False,6,9.000114438656542e-11,30
7.0.0,260,1,Minnesota MN15-L exchange functional,4,196751,40,True,True,True,True,False,9,1.214004006111404e-09,60
7.0.0,260,2,Minnesota MN15-L exchange functional,4,196751,40,True,True,True,True,False,21,1.3125274559690083e-09,360
7.0.0,261,1,Minnesota MN15-L correlation functional,4,196751,24,True,True,True,True,False,9,9.680996475233262e-10,60
7.0.0,261,2,Minnesota MN15-L correlation functional,4,196751,24,True,True,True,True,False,21,7.185967913999169e-10,360
7.0.0,262,1,one-parameter progressive functional (PW91 version),2,131215,0,True,True,True,True,False,6,8.630297264010308e-10,30
7.0.0,262,2,one-parameter progressive functional (PW91 version),2,131215,0,True,True,True,True,False,15,1.0652265922962197e-08,168
7.0.0,263,1,"SCAN exchange of Sun, Ruzsinszky, and Perdew",4,196751,4,True,True,True,True,False,9,2.64012496027588e-09,60
7.0.0,263,2,"SCAN exchange of Sun, Ruzsinszky, and Perdew",4,196751,4,True,True,True,True,False,21,8.651402764404331e-10,360
7.0.0,264,1,SCAN hybrid exchange (SCAN0),64,196751,1,True,True,True,True,False,9,2.315310149437047e-09,60
7.0.0,264,2,SCAN hybrid exchange (SCAN0),64,196751,1,True,True,True,True,False,21,7.32017118449303e-10,360
7.0.0,265,1,PBE for formation energies,2,131215,2,True,True,True,True,False,6,1.0883274621928227e-10,30
7.0.0,265,2,PBE for formation energies,2,131215,2,True,True,True,True,False,15,3.253804622108475e-09,168
7.0.0,266,1,version of B97 by Cohen and Handy,32,131215,16,True,True,True,True,False,6,8.722957927829548e-09,30
7.0.0,266,2,version of B97 by Cohen and Handy,32,131215,16,True,True,True,True,False,15,3.920733085308517e-07,168
7.0.0,267,1,"SCAN correlation of Sun, Ruzsinszky, and Perdew",4,196751,0,True,True,True,True,False,9,1.4729821864113353e-09,60
7.0.0,267,2,"SCAN correlation of Sun, Ruzsinszky, and Perdew",4,196751,0,True,True,True,True,False,21,4.074735472350495e-10,360
7.0.0,268,1,Minnesota MN15 hybrid exchange functional,64,196751,41,True,True,True,True,False,9,5.625562426607268e-10,60
7.0.0,268,2,Minnesota MN15 hybrid exchange functional,64,196751,41,True,True,True,True,False,21,6.548256515633624e-10,360
7.0.0,269,1,Minnesota MN15 correlation functional,4,196751,24,True,True,True,True,False,9,1.7910109377105314e-09,60
7.0.0,269,2,Minnesota MN15 correlation functional,4,196751,24,True,True,True,True,False,21,7.557520145448429e-10,360
7.0.0,270,1,Correct Asymptotic Potential,2,131215,2,True,True,True,True,False,6,1.9684126736588295e-10,30
7.0.0,270,2,Correct Asymptotic Potential,2,131215,2,True,True,True,True,False,15,6.87484857238941e-09,168
7.0.0,271,1,Non-empirical (excogitated) B88 functional of Becke and Elliott,2,131215,2,True,True,True,True,False,6,1.0635035564108691e-10,30
7.0.0,271,2,Non-empirical (excogitated) B88 functional of Becke and Elliott,2,131215,2,True,True,True,True,False,15,6.0563232604109715e-09,168
7.0.0,272,1,"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",2,131215,3,True,True,True,True,False,6,2.4448189900076087e-11,30
7.0.0,272,2,"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",2,131215,3,True,True,True,True,False,15,9.833254513439496e-11,168
7.0.0,273,1,PBEmol0,32,131215,1,True,True,True,True,False,6,8.646802020338526e-11,30
7.0.0,273,2,PBEmol0,32,131215,1,True,True,True,True,False,15,7.059132861714277e-10,168
7.0.0,274,1,PBEsol0,32,131215,1,True,True,True,True,False,6,8.595699643178987e-11,30
7.0.0,274,2,PBEsol0,32,131215,1,True,True,True,True,False,15,1.0349838135982118e-10,168
7.0.0,275,1,PBEbeta0,32,131215,1,True,True,True,True,False,6,8.777004812812299e-11,30
7.0.0,275,2,PBEbeta0,32,131215,1,True,True,True,True,False,15,3.813387872376767e-10,168
7.0.0,276,1,PBEmolbeta0,32,131215,1,True,True,True,True,False,6,8.799227155501852e-11,30
7.0.0,276,2,PBEmolbeta0,32,131215,1,True,True,True,True,False,15,6.757635731192196e-10,168
7.0.0,277,1,gamma-TFvW form by Acharya et al [$g = 1 - 1.513/N^{0.35}]$,2,131215,1,True,True,True,True,False,6,6.954297683417292e-11,30
7.0.0,277,2,gamma-TFvW form by Acharya et al [$g = 1 - 1.513/N^{0.35}]$,2,131215,1,True,True,True,True,False,15,2.397201445039464e-10,168
7.0.0,278,1,gamma-TFvW form by Acharya et al [$g = l = 1/(1 + 1.332/N^{1/3})$],2,131215,1,True,True,True,True,False,6,1.32478433044431e-10,30
7.0.0,278,2,gamma-TFvW form by Acharya et al [$g = l = 1/(1 + 1.332/N^{1/3})$],2,131215,1,True,True,True,True,False,15,2.1148263867400583e-10,168
7.0.0,279,1,Boese-Martin for kinetics,64,196751,9,True,True,True,True,False,9,4.717769032791173e-10,60
7.0.0,279,2,Boese-Martin for kinetics,64,196751,9,True,True,True,True,False,21,4.911617942079272e-09,360
7.0.0,280,1,Boese-Martin correlation for kinetics,2,131215,10,True,True,True,True,False,6,3.366266173650745e-08,30
7.0.0,280,2,Boese-Martin correlation for kinetics,2,131215,10,True,True,True,True,False,15,5.375867518561807e-07,168
7.0.0,281,1,correlation part of tau-hcth,2,131215,10,True,True,True,True,False,6,4.381902142785658e-09,30
7.0.0,281,2,correlation part of tau-hcth,2,131215,10,True,True,True,True,False,15,2.179454476357265e-07,168
7.0.0,282,1,Hybrid version of tau-HCTH,64,196751,9,True,True,True,True,False,9,9.24124646437603e-11,60
7.0.0,282,2,Hybrid version of tau-HCTH,64,196751,9,True,True,True,True,False,21,4.44122355994443e-10,360
7.0.0,283,1,correlation part of hyb-tau-hcth,2,131215,10,True,True,True,True,False,6,2.1538941418094804e-08,30
7.0.0,283,2,correlation part of hyb-tau-hcth,2,131215,10,True,True,True,True,False,15,8.161545101671122e-07,168
7.0.0,284,1,Becke 2000,4,229519,2,True,True,True,True,False,12,2.6953027401945537e-08,105
7.0.0,284,2,Becke 2000,4,229519,2,True,True,True,True,False,27,3.356946110007839e-08,660
7.0.0,285,1,BEEF-vdW exchange,2,131215,0,True,True,True,True,False,6,7.668133253538217e-06,30
7.0.0,285,2,BEEF-vdW exchange,2,131215,0,True,True,True,True,False,15,6.4606923678444975e-06,168
7.0.0,286,1,BEEF-vdW exchange-correlation,2,131215,0,True,True,True,True,False,6,8.178521796551573e-06,30
7.0.0,286,2,BEEF-vdW exchange-correlation,2,131215,0,True,True,True,True,False,15,6.63243301172735e-06,168
7.0.0,287,1,Chachiyo simple 2 parameter correlation,1,131215,6,True,True,True,True,False,3,1.1204496708045291e-11,12
7.0.0,287,2,Chachiyo simple 2 parameter correlation,1,131215,6,True,True,True,True,False,6,4.061726962030755e-11,30
7.0.0,288,1,high local exchange 2017,4,196751,0,True,True,True,True,False,9,9.689067935582875e-11,60
7.0.0,288,2,high local exchange 2017,4,196751,0,True,True,True,True,False,21,2.479393495055788e-08,360
7.0.0,289,1,Liu-Parr correlation,1,131215,3,True,True,True,True,False,3,2.0646841353751473e-11,12
7.0.0,289,2,Liu-Parr correlation,1,131215,3,True,True,True,True,False,6,1.0306919094438249e-11,30
7.0.0,290,1,PBE50,32,131215,1,True,True,True,True,False,6,6.763797515133799e-11,30
7.0.0,290,2,PBE50,32,131215,1,True,True,True,True,False,15,3.3919466017613934e-10,168
7.0.0,291,1,Gradient-regulated connection-based correction for the PBE exchange,2,131215,0,True,True,True,True,False,6,1.0636021583155562e-10,30
7.0.0,291,2,Gradient-regulated connection-based correction for the PBE exchange,2,131215,0,True,True,True,True,False,15,1.6397340731994835e-10,168
7.0.0,292,1,SCAN + rVV10 correlation,4,197775,0,True,True,True,True,False,9,1.4729821864113353e-09,60
7.0.0,292,2,SCAN + rVV10 correlation,4,197775,0,True,True,True,True,False,21,4.074735472350495e-10,360
7.0.0,293,1,Minnesota revM06-L exchange functional,4,196751,18,True,True,True,True,False,9,7.547017624998389e-10,60
7.0.0,293,2,Minnesota revM06-L exchange functional,4,196751,18,True,True,True,True,False,21,1.2122439056390682e-09,360
7.0.0,294,1,Minnesota revM06-L correlation functional,4,196751,27,True,True,True,True,False,9,1.5693429249353482e-09,60
7.0.0,294,2,Minnesota revM06-L correlation functional,4,196751,27,True,True,True,True,False,21,1.6250963429010139e-07,360
7.0.0,295,1,Minnesota M08-HX hybrid exchange functional,64,196751,25,True,True,True,True,False,9,4.842551942375162e-09,60
7.0.0,295,2,Minnesota M08-HX hybrid exchange functional,64,196751,25,True,True,True,True,False,21,6.524069122932464e-09,360
7.0.0,296,1,Minnesota M08-SO hybrid exchange functional,64,196751,25,True,True,True,True,False,9,2.5199116231317017e-09,60
7.0.0,296,2,Minnesota M08-SO hybrid exchange functional,64,196751,25,True,True,True,True,False,21,4.220708446558216e-09,360
7.0.0,297,1,Minnesota M11 hybrid exchange functional,64,197007,27,True,True,True,True,False,9,4.3149583703763925e-09,60
7.0.0,297,2,Minnesota M11 hybrid exchange functional,64,197007,27,True,True,True,True,False,21,3.5084869342815505e-09,360
7.0.0,298,1,Chachiyo exchange,2,131215,0,True,True,True,True,False,6,2.74672450691986e-10,30
7.0.0,298,2,Chachiyo exchange,2,131215,0,True,True,True,True,False,15,9.557947458799532e-09,168
7.0.0,299,1,TPSS for surface adsorption,4,196751,5,True,True,True,True,False,9,8.79154185831457e-11,60
7.0.0,299,2,TPSS for surface adsorption,4,196751,5,True,True,True,True,False,21,1.9646129857904973e-08,360
7.0.0,300,1,MS2beta exchange of Furness and Sun,4,196751,0,True,True,True,True,False,9,1.7754913148283387e-10,60
7.0.0,300,2,MS2beta exchange of Furness and Sun,4,196751,0,True,True,True,True,False,21,2.597684454176402e-10,360
7.0.0,301,1,MS2beta* exchange of Furness and Sun,4,196751,0,True,True,True,True,False,9,1.395430897765572e-10,60
7.0.0,301,2,MS2beta* exchange of Furness and Sun,4,196751,0,True,True,True,True,False,21,1.5416441495888792e-10,360
7.0.0,302,1,MVSbeta exchange by Furness and Sun,4,196751,4,True,True,True,True,False,9,2.627567368160171e-10,60
7.0.0,302,2,MVSbeta exchange by Furness and Sun,4,196751,4,True,True,True,True,False,21,5.011260073445602e-10,360
7.0.0,303,1,MVSbeta* exchange by Furness and Sun,4,196751,4,True,True,True,True,False,9,2.624134082419131e-10,60
7.0.0,303,2,MVSbeta* exchange by Furness and Sun,4,196751,4,True,True,True,True,False,21,5.249559181815497e-10,360
7.0.0,304,1,Revised Minnesota M11 hybrid exchange functional,64,197007,27,True,True,True,True,False,9,9.075061893334854e-10,60
7.0.0,304,2,Revised Minnesota M11 hybrid exchange functional,64,197007,27,True,True,True,True,False,21,1.2819698104686847e-09,360
7.0.0,305,1,Revised Minnesota M06 hybrid exchange functional,64,196751,19,True,True,True,True,False,9,1.0096757008593053e-09,60
7.0.0,305,2,Revised Minnesota M06 hybrid exchange functional,64,196751,19,True,True,True,True,False,21,1.8701061677758445e-09,360
7.0.0,306,1,Revised Minnesota M06 correlation functional,4,196751,27,True,True,True,True,False,9,6.711312934455875e-10,60
7.0.0,306,2,Revised Minnesota M06 correlation functional,4,196751,27,True,True,True,True,False,21,6.676832309366805e-08,360
7.0.0,307,1,Chachiyo simple 2 parameter correlation with modified spin scaling,1,131215,6,True,True,True,True,False,3,1.1204496708045291e-11,12
7.0.0,307,2,Chachiyo simple 2 parameter correlation with modified spin scaling,1,131215,6,True,True,True,True,False,6,3.928011443545075e-11,30
7.0.0,308,1,Karasiev reparameterization of Chachiyo,1,131215,6,True,True,True,True,False,3,1.1093831532986897e-11,12
7.0.0,308,2,Karasiev reparameterization of Chachiyo,1,131215,6,True,True,True,True,False,6,3.968464787407539e-11,30
7.0.0,309,1,Chachiyo simple GGA correlation,2,131215,7,True,True,True,True,False,6,1.495536976441536e-11,30
7.0.0,309,2,Chachiyo simple GGA correlation,2,131215,7,True,True,True,True,False,15,6.567746594272357e-11,168
7.0.0,310,1,Minnesota M06-SX short-range hybrid exchange functional,64,197007,20,True,True,True,True,False,9,5.332878094982088e-10,60
7.0.0,310,2,Minnesota M06-SX short-range hybrid exchange functional,64,197007,20,True,True,True,True,False,21,1.0715980255109694e-09,360
7.0.0,311,1,Minnesota M06-SX correlation functional,4,196751,27,True,True,True,True,False,9,1.2114532099423182e-09,60
7.0.0,311,2,Minnesota M06-SX correlation functional,4,196751,27,True,True,True,True,False,21,8.989204035361615e-08,360
7.0.0,312,1,"Revised Swart, Sola and Bickelhaupt dispersion",2,131215,8,True,True,True,True,False,6,1.4416343441022968e-10,30
7.0.0,312,2,"Revised Swart, Sola and Bickelhaupt dispersion",2,131215,8,True,True,True,True,False,15,4.4884281298086075e-08,168
7.0.0,313,1,ccDF: coupled-cluster motivated density functional,2,131215,5,True,True,True,True,False,6,1.0492675085838377e-10,30
7.0.0,313,2,ccDF: coupled-cluster motivated density functional,2,131215,5,True,True,True,True,False,15,6.001704409591065e-10,168
7.0.0,314,1,HF + LYP correlation,32,131215,0,True,True,True,True,False,6,7.613906855030903e-12,30
7.0.0,314,2,HF + LYP correlation,32,131215,0,True,True,True,True,False,15,1.1241670162389398e-10,168
7.0.0,315,1,"B3P86, NWChem version",32,131215,0,True,True,True,True,False,6,1.8608079256439705e-10,30
7.0.0,315,2,"B3P86, NWChem version",32,131215,0,True,True,True,True,False,15,6.55192566456092e-09,168
7.0.0,316,1,"PW91, alternate version with more digits",2,131215,3,True,True,True,True,False,6,2.261699570911503e-09,30
7.0.0,316,2,"PW91, alternate version with more digits",2,131215,3,True,True,True,True,False,15,1.0706724159546657e-08,168
7.0.0,317,1,"Xie, Wu, and Zhao interpolation ansatz without fitting parameters",1,131215,0,True,True,True,True,False,3,1.1503758255897936e-11,12
7.0.0,317,2,"Xie, Wu, and Zhao interpolation ansatz without fitting parameters",1,131215,0,True,True,True,True,False,6,4.229366659302619e-11,30
7.0.0,318,1,"Corrected KSDT by Karasiev, Dufty and Trickey",1,131215,1,True,True,True,True,False,3,9.959384361494733e-11,12
7.0.0,318,2,"Corrected KSDT by Karasiev, Dufty and Trickey",1,131215,1,True,True,True,True,False,6,8.94661365541521e-11,30
7.0.0,319,1,Filatov and Thiel 1998 meta-GGA exchange,4,229519,6,True,True,True,True,False,12,1.971756004250608e-09,105
7.0.0,319,2,Filatov and Thiel 1998 meta-GGA exchange,4,229519,6,True,True,True,True,False,27,5.437783050525963e-09,660
7.0.0,320,1,"Perdew, Burke & Ernzerhof with less precise value for beta",2,131215,2,True,True,True,True,False,6,1.0604940078116854e-10,30
7.0.0,320,2,"Perdew, Burke & Ernzerhof with less precise value for beta",2,131215,2,True,True,True,True,False,15,3.7536700097990736e-10,168
7.0.0,321,1,"Perdew, Burke & Ernzerhof with parameter values used in Gaussian",2,131215,2,True,True,True,True,False,6,1.060896272261857e-10,30
7.0.0,321,2,"Perdew, Burke & Ernzerhof with parameter values used in Gaussian",2,131215,2,True,True,True,True,False,15,3.773332611173758e-10,168
7.0.0,322,1,"Perdew, Burke & Ernzerhof with parameters from Gaussian",2,131215,3,True,True,True,True,False,6,1.3894697743192786e-11,30
7.0.0,322,2,"Perdew, Burke & Ernzerhof with parameters from Gaussian",2,131215,3,True,True,True,True,False,15,5.715774267398118e-11,168
7.0.0,323,1,"Tao, Perdew, Staroverov & Scuseria with parameters from Gaussian",4,196751,6,True,True,True,True,False,9,1.0681604239062759e-11,60
7.0.0,323,2,"Tao, Perdew, Staroverov & Scuseria with parameters from Gaussian",4,196751,6,True,True,True,True,False,21,5.315836782443928e-11,360
7.0.0,324,1,Nearly correct asymptotic potential revised,2,131215,4,True,True,True,True,False,6,1.0618116558942229e-10,30
7.0.0,324,2,Nearly correct asymptotic potential revised,2,131215,4,True,True,True,True,False,15,1.8001231992524181e-09,168
7.0.0,325,1,relPBE0 a.k.a. relPBE: PBE0 refitted for actinide compounds,32,131215,6,True,True,True,True,False,6,8.653245425314391e-11,30
7.0.0,325,2,relPBE0 a.k.a. relPBE: PBE0 refitted for actinide compounds,32,131215,6,True,True,True,True,False,15,8.343554199416505e-11,168
7.0.0,326,1,Exact exchange-like exchange of Aschebrock et al,4,196751,3,True,True,True,True,False,9,1.2991370342446094e-09,60
7.0.0,326,2,Exact exchange-like exchange of Aschebrock et al,4,196751,3,True,True,True,True,False,21,1.5283050790142225e-09,360
7.0.0,327,1,Becke 97-3c by Grimme et. al.,2,131215,15,True,True,True,True,False,6,1.102032407875804e-08,30
7.0.0,327,2,Becke 97-3c by Grimme et. al.,2,131215,15,True,True,True,True,False,15,2.4293946926435005e-07,168
7.0.0,328,1,epc17(-1): electron-proton correlation 2017,1,131215,3,True,True,True,True,False,3,1.3721914851579678e-11,12
7.0.0,328,2,epc17(-1): electron-proton correlation 2017,1,131215,3,True,True,True,True,False,6,3.3154199485971275e-12,30
7.0.0,329,1,epc17-2: electron-proton correlation 2017 for proton affinities,1,131215,3,True,True,True,True,False,3,2.8770696225878955e-12,12
7.0.0,329,2,epc17-2: electron-proton correlation 2017 for proton affinities,1,131215,3,True,True,True,True,False,6,3.5679507818501682e-12,30
7.0.0,330,1,epc18-1: electron-proton correlation 2018,1,131215,3,True,True,True,True,False,3,1.6709274967757116e-12,12
7.0.0,330,2,epc18-1: electron-proton correlation 2018,1,131215,3,True,True,True,True,False,6,1.253344988663572e-12,30
7.0.0,331,1,epc18-2: electron-proton correlation 2018 for proton affinities,1,131215,3,True,True,True,True,False,3,1.1458892217694295e-11,12
7.0.0,331,2,epc18-2: electron-proton correlation 2018 for proton affinities,1,131215,3,True,True,True,True,False,6,1.3394538914436974e-12,30
7.0.0,338,1,"Type-I band gap functional by Bhattacharjee, Koshi and Lee",2,131215,5,True,True,True,True,False,6,1.1434634705794345e-10,30
7.0.0,338,2,"Type-I band gap functional by Bhattacharjee, Koshi and Lee",2,131215,5,True,True,True,True,False,15,5.237445596915912e-10,168
7.0.0,339,1,"Type-II band gap functional by Bhattacharjee, Koshi and Lee",2,131215,5,True,True,True,True,False,6,1.0289789396022184e-10,30
7.0.0,339,2,"Type-II band gap functional by Bhattacharjee, Koshi and Lee",2,131215,5,True,True,True,True,False,15,1.0873763066821933e-10,168
7.0.0,340,1,Minnesota CF22D hybrid exchange functional,64,196751,41,True,True,True,True,False,9,6.692534493777981e-10,60
7.0.0,340,2,Minnesota CF22D hybrid exchange functional,64,196751,41,True,True,True,True,False,21,2.5203478488518332e-09,360
7.0.0,341,1,Minnesota CF22D correlation functional,4,196751,24,True,True,True,True,False,9,2.1962953246547184e-09,60
7.0.0,341,2,Minnesota CF22D correlation functional,4,196751,24,True,True,True,True,False,21,1.0831904067302159e-09,360
7.0.0,342,1,Lebeda-Aschebrock-Kummel meta-GGA exchange,4,196751,0,True,True,True,True,False,9,1.0629536883777425e-09,60
7.0.0,342,2,Lebeda-Aschebrock-Kummel meta-GGA exchange,4,196751,0,True,True,True,True,False,21,1.0063546106928631e-08,360
7.0.0,386,1,"opB3LYP: B3LYP reoptimized in 6-311++G(2d,2p) basis set",32,131215,3,True,True,True,True,False,6,9.467800596705531e-11,30
7.0.0,386,2,"opB3LYP: B3LYP reoptimized in 6-311++G(2d,2p) basis set",32,131215,3,True,True,True,True,False,15,6.190720276004005e-09,168
7.0.0,387,1,Self-interaction corrected correlation functional by Schmidt et al,4,196751,0,True,True,True,True,False,9,1.1370656743345973e-11,60
7.0.0,387,2,Self-interaction corrected correlation functional by Schmidt et al,4,196751,0,True,True,True,True,False,21,5.0422373631184075e-11,360
7.0.0,388,1,Iso-orbital corrected LDA correlation by Lebeda et al,4,196751,1,True,True,True,True,False,9,1.1370607707746574e-11,60
7.0.0,388,2,Iso-orbital corrected LDA correlation by Lebeda et al,4,196751,1,True,True,True,True,False,21,5.0453282349171553e-11,360
7.0.0,389,1,BR3P86 hybrid meta-GGA from Neumann and Handy,64,229519,3,True,True,True,True,False,12,2.3108795944530922e-08,105
7.0.0,389,2,BR3P86 hybrid meta-GGA from Neumann and Handy,64,229519,3,True,True,True,True,False,27,2.4070491224610176e-08,660
7.0.0,390,1,CASE21: Constrained And Smoothed semi-Empirical 2021 functional,32,131215,23,True,True,True,True,False,6,8.680664447596378e-11,30
7.0.0,390,2,CASE21: Constrained And Smoothed semi-Empirical 2021 functional,32,131215,23,True,True,True,True,False,15,6.022748747580686e-08,168
7.0.0,391,1,Revised regTM correlation by Jana et al,4,196751,0,True,True,True,True,False,9,1.4729821864113353e-09,60
7.0.0,391,2,Revised regTM correlation by Jana et al,4,196751,0,True,True,True,True,False,21,4.074735472350495e-10,360
7.0.0,392,1,PBE-2X: PBE0 with 56% exact exchange,32,131215,1,True,True,True,True,False,6,6.21974982177605e-11,30
7.0.0,392,2,PBE-2X: PBE0 with 56% exact exchange,32,131215,1,True,True,True,True,False,15,3.330264227300232e-10,168
7.0.0,393,1,PBE38: PBE0 with 3/8 = 37.5% exact exchange,32,131215,1,True,True,True,True,False,6,7.772516113555935e-11,30
7.0.0,393,2,PBE38: PBE0 with 3/8 = 37.5% exact exchange,32,131215,1,True,True,True,True,False,15,3.7605310754497427e-10,168
7.0.0,394,1,B3LYP with VWN functional 3 instead of RPA,32,131215,3,True,True,True,True,False,6,9.522476109953172e-11,30
7.0.0,394,2,B3LYP with VWN functional 3 instead of RPA,32,131215,3,True,True,True,True,False,15,6.331362239244539e-09,168
7.0.0,395,1,CAM-O3LYP,32,131471,6,True,True,True,True,False,6,7.790443416001898e-08,30
7.0.0,395,2,CAM-O3LYP,32,131471,6,True,True,True,True,False,15,3.931830227344004e-07,168
7.0.0,396,1,TPSS0 with 25% exact exchange,64,196751,1,True,True,True,True,False,9,6.670540888625609e-11,60
7.0.0,396,2,TPSS0 with 25% exact exchange,64,196751,1,True,True,True,True,False,21,1.1821548700149761e-08,360
7.0.0,397,1,Becke 1994 meta-GGA correlation,4,229519,3,True,True,True,True,False,12,3.5513491152032405e-08,105
7.0.0,397,2,Becke 1994 meta-GGA correlation,4,229519,3,True,True,True,True,False,27,2.5136651782200903e-08,660
7.0.0,398,1,Becke 1994 hybrid meta-GGA,64,229519,4,True,True,True,True,False,12,3.71786252956094e-08,105
7.0.0,398,2,Becke 1994 hybrid meta-GGA,64,229519,4,True,True,True,True,False,27,2.9263403986402757e-08,660
7.0.0,399,1,wB97X-D3 range-separated functional,32,131471,18,True,True,True,True,False,6,1.2623566290630237e-07,30
7.0.0,399,2,wB97X-D3 range-separated functional,32,131471,18,True,True,True,True,False,15,1.027542815712365e-06,168
7.0.0,400,1,LC version of BLYP,32,131471,1,True,True,True,True,False,6,1.1196236114301983e-10,30
7.0.0,400,2,LC version of BLYP,32,131471,1,True,True,True,True,False,15,4.0249449499453104e-09,168
7.0.0,401,1,"The original (ACM, B3PW91) hybrid of Becke",32,131215,3,True,True,True,True,False,6,5.492242292522267e-10,30
7.0.0,401,2,"The original (ACM, B3PW91) hybrid of Becke",32,131215,3,True,True,True,True,False,15,6.621631834416649e-09,168
7.0.0,402,1,B3LYP,32,131215,3,True,True,True,True,False,6,9.488449557073598e-11,30
7.0.0,402,2,B3LYP,32,131215,3,True,True,True,True,False,15,6.338691163547361e-09,168
7.0.0,403,1,B3P86,32,131215,3,True,True,True,True,False,6,1.7333256927217071e-10,30
7.0.0,403,2,B3P86,32,131215,3,True,True,True,True,False,15,6.54808940468255e-09,168
7.0.0,404,1,O3LYP,32,131215,4,True,True,True,True,False,6,9.687123520986901e-11,30
7.0.0,404,2,O3LYP,32,131215,4,True,True,True,True,False,15,6.686709835217504e-09,168
7.0.0,405,1,mPW1K,32,131215,1,True,True,True,True,False,6,2.6835542979876024e-09,30
7.0.0,405,2,mPW1K,32,131215,1,True,True,True,True,False,15,1.0612076022370347e-08,168
7.0.0,406,1,PBEH (PBE0),32,131215,1,True,True,True,True,False,6,8.635980319886068e-11,30
7.0.0,406,2,PBEH (PBE0),32,131215,1,True,True,True,True,False,15,4.000357262067959e-10,168
7.0.0,407,1,Becke 97,32,131215,16,True,True,True,True,False,6,1.053701591651763e-08,30
7.0.0,407,2,Becke 97,32,131215,16,True,True,True,True,False,15,7.30100334656786e-07,168
7.0.0,408,1,Becke 97-1,32,131215,16,True,True,True,True,False,6,1.099817862844775e-08,30
7.0.0,408,2,Becke 97-1,32,131215,16,True,True,True,True,False,15,8.208833965115809e-07,168
7.0.0,409,1,APF hybrid functional,32,131215,0,True,True,True,True,False,6,2.48130496702557e-10,30
7.0.0,409,2,APF hybrid functional,32,131215,0,True,True,True,True,False,15,3.099832936989457e-09,168
7.0.0,410,1,Becke 97-2,32,131215,16,True,True,True,True,False,6,4.593738982151603e-09,30
7.0.0,410,2,Becke 97-2,32,131215,16,True,True,True,True,False,15,3.4485355597320306e-07,168
7.0.0,411,1,X3LYP,32,131215,5,True,True,True,True,False,6,4.008159834164434e-10,30
7.0.0,411,2,X3LYP,32,131215,5,True,True,True,True,False,15,7.269750066776742e-09,168
7.0.0,412,1,B1WC,32,131215,1,True,True,True,True,False,6,9.197410902327493e-11,30
7.0.0,412,2,B1WC,32,131215,1,True,True,True,True,False,15,2.665202582352788e-09,168
7.0.0,413,1,Boese-Martin for Kinetics,32,131215,16,True,True,True,True,False,6,1.2670194870132354e-08,30
7.0.0,413,2,Boese-Martin for Kinetics,32,131215,16,True,True,True,True,False,15,5.580042988061936e-07,168
7.0.0,414,1,Becke 97-3,32,131215,16,True,True,True,True,False,6,3.4223157957230883e-08,30
7.0.0,414,2,Becke 97-3,32,131215,16,True,True,True,True,False,15,8.406816190156729e-07,168
7.0.0,415,1,MPW3PW of Adamo & Barone,32,131215,3,True,True,True,True,False,6,3.0640480531086707e-09,30
7.0.0,415,2,MPW3PW of Adamo & Barone,32,131215,3,True,True,True,True,False,15,1.107655128260473e-08,168
7.0.0,416,1,B1LYP,32,131215,1,True,True,True,True,False,6,9.245190669886022e-11,30
7.0.0,416,2,B1LYP,32,131215,1,True,True,True,True,False,15,6.564951033047413e-09,168
7.0.0,417,1,B1PW91,32,131215,1,True,True,True,True,False,6,7.110430611199968e-10,30
7.0.0,417,2,B1PW91,32,131215,1,True,True,True,True,False,15,6.934548414464532e-09,168
7.0.0,418,1,mPW1PW,32,131215,1,True,True,True,True,False,6,3.526833125542424e-09,30
7.0.0,418,2,mPW1PW,32,131215,1,True,True,True,True,False,15,1.1619973900997035e-08,168
7.0.0,419,1,MPW3LYP,32,131215,3,True,True,True,True,False,6,1.9195344975953922e-09,30
7.0.0,419,2,MPW3LYP,32,131215,3,True,True,True,True,False,15,1.0510976912368034e-08,168
7.0.0,420,1,SB98 (1a),32,131215,16,True,True,True,True,False,6,3.666520304424842e-09,30
7.0.0,420,2,SB98 (1a),32,131215,16,True,True,True,True,False,15,9.712244854412819e-09,168
7.0.0,421,1,SB98 (1b),32,131215,16,True,True,True,True,False,6,1.0062678772415299e-08,30
7.0.0,421,2,SB98 (1b),32,131215,16,True,True,True,True,False,15,1.3058418678655065e-06,168
7.0.0,422,1,SB98 (1c),32,131215,16,True,True,True,True,False,6,1.0337763555524062e-08,30
7.0.0,422,2,SB98 (1c),32,131215,16,True,True,True,True,False,15,6.687441429282856e-07,168
7.0.0,423,1,SB98 (2a),32,131215,16,True,True,True,True,False,6,7.003225948570418e-09,30
7.0.0,423,2,SB98 (2a),32,131215,16,True,True,True,True,False,15,3.5820952144016055e-07,168
7.0.0,424,1,SB98 (2b),32,131215,16,True,True,True,True,False,6,6.049631283823204e-09,30
7.0.0,424,2,SB98 (2b),32,131215,16,True,True,True,True,False,15,2.842303804851232e-07,168
7.0.0,425,1,SB98 (2c),32,131215,16,True,True,True,True,False,6,9.936944285192023e-09,30
7.0.0,425,2,SB98 (2c),32,131215,16,True,True,True,True,False,15,6.23755557781758e-07,168
7.0.0,426,1,Hybrid based on SOGGA11 form,32,131215,15,True,True,True,True,False,6,7.81689963447589e-11,30
7.0.0,426,2,Hybrid based on SOGGA11 form,32,131215,15,True,True,True,True,False,15,4.459676741662292e-09,168
7.0.0,427,1,HSE03,32,131471,3,True,True,True,True,False,6,1.1492903666953438e-10,30
7.0.0,427,2,HSE03,32,131471,3,True,True,True,True,False,15,1.0411777858415266e-08,168
7.0.0,428,1,HSE06,32,131471,3,True,True,True,True,False,6,9.553823932609924e-11,30
7.0.0,428,2,HSE06,32,131471,3,True,True,True,True,False,15,1.0085196986640829e-08,168
7.0.0,429,1,HJS hybrid screened exchange PBE version,32,131471,0,True,True,True,True,False,6,8.557241045311907e-11,30
7.0.0,429,2,HJS hybrid screened exchange PBE version,32,131471,0,True,True,True,True,False,15,1.0877252038355739e-09,168
7.0.0,430,1,HJS hybrid screened exchange PBE_SOL version,32,131471,0,True,True,True,True,False,6,8.373380456955139e-11,30
7.0.0,430,2,HJS hybrid screened exchange PBE_SOL version,32,131471,0,True,True,True,True,False,15,5.2262510078556e-10,168
7.0.0,431,1,HJS hybrid screened exchange B88 version,32,131471,0,True,True,True,True,False,6,8.467457900726986e-11,30
7.0.0,431,2,HJS hybrid screened exchange B88 version,32,131471,0,True,True,True,True,False,15,3.866251510642512e-09,168
7.0.0,432,1,HJS hybrid screened exchange B97x version,32,131471,0,True,True,True,True,False,6,8.331670284775522e-11,30
7.0.0,432,2,HJS hybrid screened exchange B97x version,32,131471,0,True,True,True,True,False,15,1.1931593334597595e-10,168
7.0.0,433,1,CAM version of B3LYP,32,131471,4,True,True,True,True,False,6,9.807996539592494e-11,30
7.0.0,433,2,CAM version of B3LYP,32,131471,4,True,True,True,True,False,15,5.340651211170453e-09,168
7.0.0,434,1,"CAM version of B3LYP, tuned for excitations and properties",32,131471,4,True,True,True,True,False,6,1.0597760987759741e-10,30
7.0.0,434,2,"CAM version of B3LYP, tuned for excitations and properties",32,131471,4,True,True,True,True,False,15,5.676404531441627e-09,168
7.0.0,435,1,BHandH i.e. BHLYP,32,131215,1,True,True,True,True,False,6,6.975344351845088e-11,30
7.0.0,435,2,BHandH i.e. BHLYP,32,131215,1,True,True,True,True,False,15,5.3888186932870785e-11,168
7.0.0,436,1,BHandHLYP,32,131215,1,True,True,True,True,False,6,7.38130093634185e-11,30
7.0.0,436,2,BHandHLYP,32,131215,1,True,True,True,True,False,15,5.600003183638193e-09,168
7.0.0,437,1,B3LYP with RC04 LDA,32,131215,4,True,True,True,True,False,6,9.530757253738135e-11,30
7.0.0,437,2,B3LYP with RC04 LDA,32,131215,4,True,True,True,True,False,15,6.338691163547361e-09,168
7.0.0,438,1,Minnesota M05 hybrid exchange functional,64,196751,14,True,True,True,True,False,9,3.1590881296904192e-09,60
7.0.0,438,2,Minnesota M05 hybrid exchange functional,64,196751,14,True,True,True,True,False,21,3.705395287260629e-09,360
7.0.0,439,1,Minnesota M05-2X hybrid exchange functional,64,196751,14,True,True,True,True,False,9,5.478708331476812e-09,60
7.0.0,439,2,Minnesota M05-2X hybrid exchange functional,64,196751,14,True,True,True,True,False,21,5.0505351555646275e-09,360
7.0.0,440,1,Mixture of B88 with BC95 (B1B95),64,196751,0,True,True,True,True,False,9,3.598427897553758e-10,60
7.0.0,440,2,Mixture of B88 with BC95 (B1B95),64,196751,0,True,True,True,True,False,21,6.156780655155753e-08,360
7.0.0,441,1,Mixture of B86 with BC95,64,196751,0,True,True,True,True,False,9,3.821523930503807e-10,60
7.0.0,441,2,Mixture of B86 with BC95,64,196751,0,True,True,True,True,False,21,6.222229419659961e-08,360
7.0.0,442,1,Mixture of PW86 with BC95,64,196751,0,True,True,True,True,False,9,3.8849344423196783e-10,60
7.0.0,442,2,Mixture of PW86 with BC95,64,196751,0,True,True,True,True,False,21,6.694562291292166e-08,360
7.0.0,443,1,Mixture of B88 with BC95 from Zhao and Truhlar,64,196751,0,True,True,True,True,False,9,3.5812000228299316e-10,60
7.0.0,443,2,Mixture of B88 with BC95 from Zhao and Truhlar,64,196751,0,True,True,True,True,False,21,6.067495245019172e-08,360
7.0.0,444,1,Minnesota M06-HF hybrid exchange functional,64,196751,19,True,True,True,True,False,9,1.559841614792922e-08,60
7.0.0,444,2,Minnesota M06-HF hybrid exchange functional,64,196751,19,True,True,True,True,False,21,1.4808052135498081e-08,360
7.0.0,445,1,Mixture of mPW91 with BC95 from Zhao and Truhlar,64,196751,0,True,True,True,True,False,9,1.0731913336781267e-09,60
7.0.0,445,2,Mixture of mPW91 with BC95 from Zhao and Truhlar,64,196751,0,True,True,True,True,False,21,6.085103048812403e-08,360
7.0.0,446,1,Mixture of mPW91 with BC95 for kinetics,64,196751,0,True,True,True,True,False,9,9.264377406781362e-10,60
7.0.0,446,2,Mixture of mPW91 with BC95 for kinetics,64,196751,0,True,True,True,True,False,21,6.013221874722922e-08,360
7.0.0,447,1,Mixture of X with BC95,64,196751,0,True,True,True,True,False,9,4.208468299072033e-10,60
7.0.0,447,2,Mixture of X with BC95,64,196751,0,True,True,True,True,False,21,5.8768667470284694e-08,360
7.0.0,448,1,Mixture of X with BC95 for kinetics,64,196751,0,True,True,True,True,False,9,4.538675611270549e-10,60
7.0.0,448,2,Mixture of X with BC95 for kinetics,64,196751,0,True,True,True,True,False,21,5.94418862117655e-08,360
7.0.0,449,1,Minnesota M06 hybrid exchange functional,64,196751,19,True,True,True,True,False,9,2.019438335268972e-09,60
7.0.0,449,2,Minnesota M06 hybrid exchange functional,64,196751,19,True,True,True,True,False,21,2.7727922832128685e-09,360
7.0.0,450,1,Minnesota M06-2X hybrid exchange functional,64,196751,14,True,True,True,True,False,9,3.767218201627552e-09,60
7.0.0,450,2,Minnesota M06-2X hybrid exchange functional,64,196751,14,True,True,True,True,False,21,4.774680646877828e-09,360
7.0.0,451,1,Mixture of PW91 with BC95 from Zhao and Truhlar,64,196751,0,True,True,True,True,False,9,1.3634213866257847e-09,60
7.0.0,451,2,Mixture of PW91 with BC95 from Zhao and Truhlar,64,196751,0,True,True,True,True,False,21,5.8279653976269484e-08,360
7.0.0,452,1,Mixture of PW91 with BC95 from Zhao and Truhlar for kinetics,64,196751,0,True,True,True,True,False,9,1.142427337624315e-09,60
7.0.0,452,2,Mixture of PW91 with BC95 from Zhao and Truhlar for kinetics,64,196751,0,True,True,True,True,False,21,6.889712721020177e-08,360
7.0.0,453,1,MPW with 1 par. for metals/LYP,32,131215,1,True,True,True,True,False,6,2.3399087528274113e-09,30
7.0.0,453,2,MPW with 1 par. for metals/LYP,32,131215,1,True,True,True,True,False,15,1.1712890015924084e-08,168
7.0.0,454,1,Revised B3LYP,32,131215,3,True,True,True,True,False,6,9.467800596705531e-11,30
7.0.0,454,2,Revised B3LYP,32,131215,3,True,True,True,True,False,15,6.190720276004005e-09,168
7.0.0,455,1,CAMY version of BLYP,32,131727,0,True,True,True,True,False,6,9.481425896843855e-11,30
7.0.0,455,2,CAMY version of BLYP,32,131727,0,True,True,True,True,False,15,4.09372427002573e-09,168
7.0.0,456,1,PBE0-1/3,32,131215,1,True,True,True,True,False,6,8.068794124411493e-11,30
7.0.0,456,2,PBE0-1/3,32,131215,1,True,True,True,True,False,15,3.878425689278302e-10,168
7.0.0,457,1,TPSSh,64,196751,1,True,True,True,True,False,9,7.572948292891392e-11,60
7.0.0,457,2,TPSSh,64,196751,1,True,True,True,True,False,21,1.4380988135879397e-08,360
7.0.0,458,1,revTPSSh,64,196751,1,True,True,True,True,False,9,7.641886695320693e-11,60
7.0.0,458,2,revTPSSh,64,196751,1,True,True,True,True,False,21,1.1434147504894592e-08,360
7.0.0,459,1,B3LYP*,32,131215,3,True,True,True,True,False,6,9.747830347679426e-11,30
7.0.0,459,2,B3LYP*,32,131215,3,True,True,True,True,False,15,6.331362239244539e-09,168
7.0.0,460,1,Global hybrid for vertical ionization potentials,32,131215,2,True,True,True,True,False,6,5.915216515563226e-11,30
7.0.0,460,2,Global hybrid for vertical ionization potentials,32,131215,2,True,True,True,True,False,15,4.0005894423081035e-11,168
7.0.0,461,1,B3LYP-MCM1,32,131215,6,True,True,True,True,False,6,9.496742978525356e-11,30
7.0.0,461,2,B3LYP-MCM1,32,131215,6,True,True,True,True,False,15,6.409768491670117e-09,168
7.0.0,462,1,B3LYP-MCM2,32,131215,6,True,True,True,True,False,6,9.553974740568958e-11,30
7.0.0,462,2,B3LYP-MCM2,32,131215,6,True,True,True,True,False,15,6.458675694002039e-09,168
7.0.0,463,1,wB97 range-separated functional,32,131471,18,True,True,True,True,False,6,5.374081974487406e-08,30
7.0.0,463,2,wB97 range-separated functional,32,131471,18,True,True,True,True,False,15,2.701352242377724e-07,168
7.0.0,464,1,wB97X range-separated functional,32,131471,18,True,True,True,True,False,6,1.0179152030589939e-07,30
7.0.0,464,2,wB97X range-separated functional,32,131471,18,True,True,True,True,False,15,6.370443993443411e-07,168
7.0.0,465,1,"Long-range corrected short-range hybrid PBE (LRC-wPBEh) by Rohrdanz, Martins and Herbert",32,131471,3,True,True,True,True,False,6,9.284787587765285e-11,30
7.0.0,465,2,"Long-range corrected short-range hybrid PBE (LRC-wPBEh) by Rohrdanz, Martins and Herbert",32,131471,3,True,True,True,True,False,15,1.7253870683464558e-09,168
7.0.0,466,1,wB97X-V range-separated functional,32,132495,18,True,True,True,True,False,6,1.235920444076665e-09,30
7.0.0,466,2,wB97X-V range-separated functional,32,132495,18,True,True,True,True,False,15,8.495191620120224e-08,168
7.0.0,467,1,LCY version of PBE,32,131727,0,True,True,True,True,False,6,9.439768711564766e-11,30
7.0.0,467,2,LCY version of PBE,32,131727,0,True,True,True,True,False,15,2.1886004453695218e-10,168
7.0.0,468,1,LCY version of BLYP,32,131727,0,True,True,True,True,False,6,1.0089505029771542e-10,30
7.0.0,468,2,LCY version of BLYP,32,131727,0,True,True,True,True,False,15,3.02267962892579e-09,168
7.0.0,469,1,Vydrov and Van Voorhis,32,132495,5,True,True,True,True,False,6,1.0455745595353432e-10,30
7.0.0,469,2,Vydrov and Van Voorhis,32,132495,5,True,True,True,True,False,15,8.64109634199161e-10,168
7.0.0,470,1,CAMY version of B3LYP,32,131727,4,True,True,True,True,False,6,9.685221305812897e-11,30
7.0.0,470,2,CAMY version of B3LYP,32,131727,4,True,True,True,True,False,15,5.713658189540198e-09,168
7.0.0,471,1,wB97X-D range-separated functional,32,131471,18,True,True,True,True,False,6,1.3292974642163296e-07,30
7.0.0,471,2,wB97X-D range-separated functional,32,131471,18,True,True,True,True,False,15,2.0683342303661377e-06,168
7.0.0,472,1,hPBEint,32,147599,1,True,True,True,True,False,6,9.042717272742571e-11,30
7.0.0,472,2,hPBEint,32,147599,1,True,True,True,True,False,15,2.1811788475515876e-10,168
7.0.0,473,1,"Long-range corrected PBE (LRC-wPBE) by Rohrdanz, Martins and Herbert",32,131471,3,True,True,True,True,False,6,1.0578254837210051e-10,30
7.0.0,473,2,"Long-range corrected PBE (LRC-wPBE) by Rohrdanz, Martins and Herbert",32,131471,3,True,True,True,True,False,15,1.4446608827933468e-09,168
7.0.0,474,1,MVSh hybrid exchange functional,64,196751,0,True,True,True,True,False,9,3.0247076034297195e-10,60
7.0.0,474,2,MVSh hybrid exchange functional,64,196751,0,True,True,True,True,False,21,1.3623698073274796e-09,360
7.0.0,475,1,B3LYP with VWN functional 5 instead of RPA,32,131215,3,True,True,True,True,False,6,9.522476109953172e-11,30
7.0.0,475,2,B3LYP with VWN functional 5 instead of RPA,32,131215,3,True,True,True,True,False,15,6.338691163547361e-09,168
7.0.0,476,1,EDF2,32,131215,0,True,True,True,True,False,6,9.681741522077904e-11,30
7.0.0,476,2,EDF2,32,131215,0,True,True,True,True,False,15,5.743226116486845e-09,168
7.0.0,477,1,Correct Asymptotic Potential hybrid,32,131215,0,True,True,True,True,False,6,2.1120450277793685e-10,30
7.0.0,477,2,Correct Asymptotic Potential hybrid,32,131215,0,True,True,True,True,False,15,7.172724241765602e-09,168
7.0.0,478,1,Long-range corrected PBE (LC-wPBE) by Vydrov and Scuseria,32,131471,3,True,True,True,True,False,6,1.0600551213719365e-10,30
7.0.0,478,2,Long-range corrected PBE (LC-wPBE) by Vydrov and Scuseria,32,131471,3,True,True,True,True,False,15,4.782006721020584e-09,168
7.0.0,479,1,HSE12,32,131471,3,True,True,True,True,False,6,9.226942997565331e-11,30
7.0.0,479,2,HSE12,32,131471,3,True,True,True,True,False,15,9.798265598088599e-09,168
7.0.0,480,1,HSE12 (short-range version),32,131471,3,True,True,True,True,False,6,9.988851404292133e-11,30
7.0.0,480,2,HSE12 (short-range version),32,131471,3,True,True,True,True,False,15,1.0291905504536134e-08,168
7.0.0,481,1,HSEsol,32,131471,0,True,True,True,True,False,6,8.373380456955139e-11,30
7.0.0,481,2,HSEsol,32,131471,0,True,True,True,True,False,15,5.2262510078556e-10,168
7.0.0,482,1,CAM-B3LYP retuned using ionization potentials of water,32,131471,4,True,True,True,True,False,6,9.641048455054849e-11,30
7.0.0,482,2,CAM-B3LYP retuned using ionization potentials of water,32,131471,4,True,True,True,True,False,15,3.455785879631544e-09,168
7.0.0,483,1,mPW1LYP,32,131215,1,True,True,True,True,False,6,2.01117400462462e-09,30
7.0.0,483,2,mPW1LYP,32,131215,1,True,True,True,True,False,15,1.086923336366865e-08,168
7.0.0,484,1,mPW1PBE,32,131215,1,True,True,True,True,False,6,2.7575068061392168e-09,30
7.0.0,484,2,mPW1PBE,32,131215,1,True,True,True,True,False,15,1.1910620228378545e-08,168
7.0.0,485,1,Kang-Musgrave hybrid,32,131215,2,True,True,True,True,False,6,6.506804171986485e-11,30
7.0.0,485,2,Kang-Musgrave hybrid,32,131215,2,True,True,True,True,False,15,4.5863961661394977e-11,168
7.0.0,486,1,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,131471,3,True,True,True,True,False,6,1.0514084932990584e-10,30
7.0.0,486,2,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,131471,3,True,True,True,True,False,15,1.0761329639974364e-09,168
7.0.0,487,1,"Long-range corrected short-range hybrid PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,131471,3,True,True,True,True,False,6,8.790516933521991e-11,30
7.0.0,487,2,"Long-range corrected short-range hybrid PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,131471,3,True,True,True,True,False,15,8.103244147571909e-10,168
7.0.0,488,1,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,131471,3,True,True,True,True,False,6,1.0455745595353432e-10,30
7.0.0,488,2,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,131471,3,True,True,True,True,False,15,8.64109634199161e-10,168
7.0.0,489,1,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,131471,3,True,True,True,True,False,6,9.97893928227615e-11,30
7.0.0,489,2,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,131471,3,True,True,True,True,False,15,1.0159588450267488e-10,168
7.0.0,490,1,CAM-B3LYP retuned using ionization potentials of water,32,131471,4,True,True,True,True,False,6,7.063533080766182e-11,30
7.0.0,490,2,CAM-B3LYP retuned using ionization potentials of water,32,131471,4,True,True,True,True,False,15,3.2984962300377125e-09,168
7.0.0,491,1,CAM-B3LYP retuned using ionization potentials of water,32,131471,4,True,True,True,True,False,6,9.29283959624166e-11,30
7.0.0,491,2,CAM-B3LYP retuned using ionization potentials of water,32,131471,4,True,True,True,True,False,15,3.1681212550287184e-09,168
7.0.0,492,1,CAM-B3LYP retuned using ionization potentials of water,32,131471,4,True,True,True,True,False,6,1.0979793965678524e-10,30
7.0.0,492,2,CAM-B3LYP retuned using ionization potentials of water,32,131471,4,True,True,True,True,False,15,2.271178930863123e-09,168
7.0.0,493,1,Regularized SCAN exchange by Bartok and Yates,4,196751,5,True,True,True,True,False,9,2.6178401570931686e-09,60
7.0.0,493,2,Regularized SCAN exchange by Bartok and Yates,4,196751,5,True,True,True,True,False,21,1.2741107354864394e-09,360
7.0.0,494,1,Regularized SCAN correlation by Bartok and Yates,4,196751,0,True,True,True,True,False,9,3.816407625443827e-09,60
7.0.0,494,2,Regularized SCAN correlation by Bartok and Yates,4,196751,0,True,True,True,True,False,21,1.9844719532596054e-09,360
7.0.0,495,1,Swart 2012 GGA exchange,2,131215,5,True,True,True,True,False,6,1.0205802981291942e-10,30
7.0.0,495,2,Swart 2012 GGA exchange,2,131215,5,True,True,True,True,False,15,2.5559412464220053e-08,168
7.0.0,496,1,Swart 2012 hybrid GGA exchange,32,131215,6,True,True,True,True,False,6,1.3368343490257143e-10,30
7.0.0,496,2,Swart 2012 hybrid GGA exchange,32,131215,6,True,True,True,True,False,15,1.579964181544272e-08,168
7.0.0,497,1,Re-regularized SCAN exchange by Furness et al,4,196751,6,True,True,True,True,False,9,1.6269962577570919e-09,60
7.0.0,497,2,Re-regularized SCAN exchange by Furness et al,4,196751,6,True,True,True,True,False,21,2.2769649287153109e-07,360
7.0.0,498,1,Re-regularized SCAN correlation by Furness et al,4,196751,1,True,True,True,True,False,9,3.775105268524579e-09,60
7.0.0,498,2,Re-regularized SCAN correlation by Furness et al,4,196751,1,True,True,True,True,False,21,2.0451753399964564e-09,360
7.0.0,499,1,BLYP35,32,131215,1,True,True,True,True,False,6,8.577171468191939e-11,30
7.0.0,499,2,BLYP35,32,131215,1,True,True,True,True,False,15,6.2328302497496215e-09,168
7.0.0,500,1,von Weiszaecker correction to Thomas-Fermi,2,131215,2,True,True,True,True,False,6,1.2687930142587987e-10,30
7.0.0,500,2,von Weiszaecker correction to Thomas-Fermi,2,131215,2,True,True,True,True,False,15,4.3774754315027535e-10,168
7.0.0,501,1,Second-order gradient expansion of the kinetic energy density,2,131215,2,True,True,True,True,False,6,1.468756782586328e-10,30
7.0.0,501,2,Second-order gradient expansion of the kinetic energy density,2,131215,2,True,True,True,True,False,15,1.5498933616330888e-10,168
7.0.0,502,1,TF-lambda-vW form by Golden (l = 13/45),2,131215,2,True,True,True,True,False,6,1.5225728548844248e-10,30
7.0.0,502,2,TF-lambda-vW form by Golden (l = 13/45),2,131215,2,True,True,True,True,False,15,1.7520003707371445e-10,168
7.0.0,503,1,TF-lambda-vW form by Yonei and Tomishima (l = 1/5),2,131215,2,True,True,True,True,False,6,1.4924154683627866e-10,30
7.0.0,503,2,TF-lambda-vW form by Yonei and Tomishima (l = 1/5),2,131215,2,True,True,True,True,False,15,1.5813020304085742e-10,168
7.0.0,504,1,TF-lambda-vW form by Baltin (l = 5/9),2,131215,2,True,True,True,True,False,6,1.6035085899830555e-10,30
7.0.0,504,2,TF-lambda-vW form by Baltin (l = 5/9),2,131215,2,True,True,True,True,False,15,2.45948044451385e-10,168
7.0.0,505,1,TF-lambda-vW form by Lieb (l = 0.185909191),2,131215,2,True,True,True,True,False,6,1.4888798437411563e-10,30
7.0.0,505,2,TF-lambda-vW form by Lieb (l = 0.185909191),2,131215,2,True,True,True,True,False,15,1.574777033113806e-10,168
7.0.0,506,1,gamma-TFvW form by Acharya et al [$g = 1 - 1.412/N^{1/3}$],2,131215,1,True,True,True,True,False,6,5.3256313268353323e-11,30
7.0.0,506,2,gamma-TFvW form by Acharya et al [$g = 1 - 1.412/N^{1/3}$],2,131215,1,True,True,True,True,False,15,2.68053706755025e-10,168
7.0.0,507,1,gamma-TFvW form by Acharya et al [$g = 1 - 1.332/N^{1/3}$],2,131215,1,True,True,True,True,False,6,3.663339100779528e-11,30
7.0.0,507,2,gamma-TFvW form by Acharya et al [$g = 1 - 1.332/N^{1/3}$],2,131215,1,True,True,True,True,False,15,2.942754428406064e-10,168
7.0.0,508,1,gamma-TFvW form by Gazquez and Robles,2,131215,1,True,True,True,True,False,6,1.501767538323212e-10,30
7.0.0,508,2,gamma-TFvW form by Gazquez and Robles,2,131215,1,True,True,True,True,False,15,4.73808329413876e-10,168
7.0.0,509,1,gamma-TFvW form by Ludena,2,131215,1,True,True,True,True,False,6,1.2687930142587987e-10,30
7.0.0,509,2,gamma-TFvW form by Ludena,2,131215,1,True,True,True,True,False,15,4.3774754315027535e-10,168
7.0.0,510,1,gamma-TFvW form by Ghosh and Parr,2,131215,1,True,True,True,True,False,6,1.2687930142587987e-10,30
7.0.0,510,2,gamma-TFvW form by Ghosh and Parr,2,131215,1,True,True,True,True,False,15,4.3774754315027535e-10,168
7.0.0,511,1,Pearson 1992,2,131215,0,True,True,True,True,False,6,1.4701154450840527e-10,30
7.0.0,511,2,Pearson 1992,2,131215,0,True,True,True,True,False,15,1.942280811181096e-09,168
7.0.0,512,1,Ou-Yang and Levy v.1,2,131215,0,True,True,True,True,False,6,1.4505528281902698e-09,30
7.0.0,512,2,Ou-Yang and Levy v.1,2,131215,0,True,True,True,True,False,15,1.0077852442343819e-08,168
7.0.0,513,1,Ou-Yang and Levy v.2,2,131215,0,True,True,True,True,False,6,3.7034931241258117e-09,30
7.0.0,513,2,Ou-Yang and Levy v.2,2,131215,0,True,True,True,True,False,15,1.089411982545497e-08,168
7.0.0,514,1,Fuentealba & Reyes (B88 version),2,131215,0,True,True,True,True,False,6,1.4752925545587443e-10,30
7.0.0,514,2,Fuentealba & Reyes (B88 version),2,131215,0,True,True,True,True,False,15,7.91567492353755e-09,168
7.0.0,515,1,Fuentealba & Reyes (PW86 version),2,131215,0,True,True,True,True,False,6,1.4696426440829587e-10,30
7.0.0,515,2,Fuentealba & Reyes (PW86 version),2,131215,0,True,True,True,True,False,15,2.2416409823465392e-08,168
7.0.0,516,1,DePristo and Kress,2,131215,10,True,True,True,True,False,6,1.4710314178536664e-10,30
7.0.0,516,2,DePristo and Kress,2,131215,10,True,True,True,True,False,15,5.68357095594754e-09,168
7.0.0,517,1,Perdew,2,131215,10,True,True,True,True,False,6,1.4651060387436236e-10,30
7.0.0,517,2,Perdew,2,131215,10,True,True,True,True,False,15,1.5446252283414444e-10,168
7.0.0,518,1,"Vitos, Skriver, and Kollar",2,131215,10,True,True,True,True,False,6,1.4675149932651373e-10,30
7.0.0,518,2,"Vitos, Skriver, and Kollar",2,131215,10,True,True,True,True,False,15,5.943296771282269e-10,168
7.0.0,519,1,"Vitos, Johansson, Kollar, and Skriver",2,131215,10,True,True,True,True,False,6,1.472812681868224e-10,30
7.0.0,519,2,"Vitos, Johansson, Kollar, and Skriver",2,131215,10,True,True,True,True,False,15,1.7438379047450196e-09,168
7.0.0,520,1,Ernzerhof,2,131215,10,True,True,True,True,False,6,1.4750354456538946e-10,30
7.0.0,520,2,Ernzerhof,2,131215,10,True,True,True,True,False,15,1.5464235249543803e-10,168
7.0.0,521,1,Lembarki & Chermette,2,131215,7,True,True,True,True,False,6,1.4185657884087358e-09,30
7.0.0,521,2,Lembarki & Chermette,2,131215,7,True,True,True,True,False,15,8.903544518350359e-09,168
7.0.0,522,1,"Lee, Lee & Parr",2,131215,0,True,True,True,True,False,6,1.4760106517725017e-10,30
7.0.0,522,2,"Lee, Lee & Parr",2,131215,0,True,True,True,True,False,15,7.010203261663564e-09,168
7.0.0,523,1,Thakkar 1992,2,131215,0,True,True,True,True,False,6,1.0834396050776472e-08,30
7.0.0,523,2,Thakkar 1992,2,131215,0,True,True,True,True,False,15,3.215589529903914e-08,168
7.0.0,524,1,short-range part of the PBE (default w=0 gives PBEh),2,131215,1,True,True,True,True,False,6,1.0504484904072503e-10,30
7.0.0,524,2,short-range part of the PBE (default w=0 gives PBEh),2,131215,1,True,True,True,True,False,15,8.928253667820397e-09,168
7.0.0,525,1,HJS screened exchange PBE version,2,131215,16,True,True,True,True,False,6,1.101481433974161e-10,30
7.0.0,525,2,HJS screened exchange PBE version,2,131215,16,True,True,True,True,False,15,1.9117844914755634e-09,168
7.0.0,526,1,HJS screened exchange PBE_SOL version,2,131215,16,True,True,True,True,False,6,1.080484855770426e-10,30
7.0.0,526,2,HJS screened exchange PBE_SOL version,2,131215,16,True,True,True,True,False,15,6.76668290742696e-10,168
7.0.0,527,1,HJS screened exchange B88 version,2,131215,16,True,True,True,True,False,6,1.0868994073629187e-10,30
7.0.0,527,2,HJS screened exchange B88 version,2,131215,16,True,True,True,True,False,15,6.292183750605897e-10,168
7.0.0,528,1,HJS screened exchange B97x version,2,131215,16,True,True,True,True,False,6,1.067785012452533e-10,30
7.0.0,528,2,HJS screened exchange B97x version,2,131215,16,True,True,True,True,False,15,3.870363289464976e-10,168
7.0.0,529,1,Short-range recipe for B88 functional - erf,2,131215,1,True,True,True,True,False,6,1.1197501713798857e-10,30
7.0.0,529,2,Short-range recipe for B88 functional - erf,2,131215,1,True,True,True,True,False,15,4.811498907056883e-09,168
7.0.0,530,1,Short-range recipe for B88 functional - Yukawa,2,131215,1,True,True,True,True,False,6,1.0796761521345753e-10,30
7.0.0,530,2,Short-range recipe for B88 functional - Yukawa,2,131215,1,True,True,True,True,False,15,3.971002848009205e-09,168
7.0.0,531,1,wB97M-V exchange-correlation functional,64,198031,17,True,True,True,True,False,9,1.9509777102977976e-09,60
7.0.0,531,2,wB97M-V exchange-correlation functional,64,198031,17,True,True,True,True,False,21,5.1661319049933076e-08,360
7.0.0,532,1,Slater exchange with relativistic corrections,1,131215,0,True,True,True,True,False,3,1.0981112779247708e-10,12
7.0.0,532,2,Slater exchange with relativistic corrections,1,131215,0,True,True,True,True,False,6,1.0223941975484599e-10,30
7.0.0,533,1,Semiclassical GGA at fourth order,2,131215,0,True,True,True,True,False,6,1.0689741777474765e-10,30
7.0.0,533,2,Semiclassical GGA at fourth order,2,131215,0,True,True,True,True,False,15,3.0594350948493424e-09,168
7.0.0,534,1,Semiclassical GGA at fourth order,2,131215,0,True,True,True,True,False,6,3.2890505369404746e-10,30
7.0.0,534,2,Semiclassical GGA at fourth order,2,131215,0,True,True,True,True,False,15,1.1312962163833717e-09,168
7.0.0,535,1,Gilbert and Gill 1999,2,131215,0,True,True,True,True,False,6,1.0670570551284851e-10,30
7.0.0,535,2,Gilbert and Gill 1999,2,131215,0,True,True,True,True,False,15,1.3490139992030084e-10,168
7.0.0,536,1,LDA constructed from slab-like systems of 1 electron,1,131119,0,True,True,True,True,False,3,1.6503268138973526e-10,12
7.0.0,536,2,LDA constructed from slab-like systems of 1 electron,1,131119,0,True,True,True,True,False,6,8.159880605250319e-11,30
7.0.0,537,1,LDA constructed from slab-like systems of 2 electrons,1,131119,0,True,True,True,True,False,3,1.5173144639409598e-10,12
7.0.0,537,2,LDA constructed from slab-like systems of 2 electrons,1,131119,0,True,True,True,True,False,6,7.490300690244612e-11,30
7.0.0,538,1,LDA constructed from slab-like systems of 3 electrons,1,131119,0,True,True,True,True,False,3,1.5422849951407707e-10,12
7.0.0,538,2,LDA constructed from slab-like systems of 3 electrons,1,131119,0,True,True,True,True,False,6,7.597792904832902e-11,30
7.0.0,539,1,PBE power,2,131215,0,True,True,True,True,False,6,1.0611201639949984e-10,30
7.0.0,539,2,PBE power,2,131215,0,True,True,True,True,False,15,1.3709903336393409e-10,168
7.0.0,540,1,Tao and Mo 2016 exchange,4,196751,0,True,True,True,True,False,9,2.7651636768304695e-10,60
7.0.0,540,2,Tao and Mo 2016 exchange,4,196751,0,True,True,True,True,False,21,1.408427631007039e-09,360
7.0.0,541,1,"meta-GGA version of VT{8,4} GGA",4,196751,0,True,True,True,True,False,9,1.0387205240713775e-10,60
7.0.0,541,2,"meta-GGA version of VT{8,4} GGA",4,196751,0,True,True,True,True,False,21,1.6788360716141194e-08,360
7.0.0,542,1,TPSS with correct surface asymptotics,4,196751,0,True,True,True,True,False,9,8.810741182678644e-11,60
7.0.0,542,2,TPSS with correct surface asymptotics,4,196751,0,True,True,True,True,False,21,2.018054417868913e-08,360
7.0.0,543,1,Perdew and Constantin 2007,4,163983,2,True,True,True,True,False,9,1.4671714221641739e-10,60
7.0.0,543,2,Perdew and Constantin 2007,4,163983,2,True,True,True,True,False,21,1.5463041050432166e-10,360
7.0.0,544,1,Gilbert and Gill 1999 (mixed),2,131215,0,True,True,True,True,False,6,1.0426075255256575e-10,30
7.0.0,544,2,Gilbert and Gill 1999 (mixed),2,131215,0,True,True,True,True,False,15,1.332475915965009e-10,168
7.0.0,545,1,high local exchange 2016,2,131215,15,True,True,True,True,False,6,1.1312356528486562e-08,30
7.0.0,545,2,high local exchange 2016,2,131215,15,True,True,True,True,False,15,1.9737048523707696e-07,168
7.0.0,546,1,Short-range LDA exchange with error function kernel (erfc),1,131215,1,True,True,True,True,False,3,1.1057224549862145e-10,12
7.0.0,546,2,Short-range LDA exchange with error function kernel (erfc),1,131215,1,True,True,True,True,False,6,1.173803725250218e-10,30
7.0.0,547,1,Lee-Parr reparametrization A,1,131215,2,True,True,True,True,False,3,1.0750355176278742e-10,12
7.0.0,547,2,Lee-Parr reparametrization A,1,131215,2,True,True,True,True,False,6,3.8326737830432087e-10,30
7.0.0,548,1,Lee-Parr reparametrization B,1,131215,2,True,True,True,True,False,3,1.0887688883326627e-10,12
7.0.0,548,2,Lee-Parr reparametrization B,1,131215,2,True,True,True,True,False,6,3.9509195112187227e-10,30
7.0.0,549,1,Rae self-energy corrected exchange,1,131215,1,True,True,True,True,False,3,1.2329711644297767e-11,12
7.0.0,549,2,Rae self-energy corrected exchange,1,131215,1,True,True,True,True,False,6,1.373433786200622e-11,30
7.0.0,550,1,Wigner including kinetic energy contribution,1,131215,0,True,True,True,True,False,3,1.609084061317242e-10,12
7.0.0,550,2,Wigner including kinetic energy contribution,1,131215,0,True,True,True,True,False,6,1.6663829081865273e-10,30
7.0.0,551,1,McWeeny 76,1,131215,2,True,True,True,True,False,3,1.3857437950410216e-11,12
7.0.0,551,2,McWeeny 76,1,131215,2,True,True,True,True,False,6,1.057974454997078e-10,30
7.0.0,552,1,Brual & Rothstein 78,1,131215,2,True,True,True,True,False,3,9.064585540323145e-12,12
7.0.0,552,2,Brual & Rothstein 78,1,131215,2,True,True,True,True,False,6,2.909636829282723e-11,30
7.0.0,553,1,GGA component of SCAN,2,131215,0,True,True,True,True,False,6,5.17846018601865e-11,30
7.0.0,553,2,GGA component of SCAN,2,131215,0,True,True,True,True,False,15,2.3693470832117705e-10,168
7.0.0,554,1,Proynov and Kong 2009,1,131215,0,True,True,True,True,False,3,1.69607028145498e-11,12
7.0.0,554,2,Proynov and Kong 2009,1,131215,0,True,True,True,True,False,6,1.1335575478388548e-10,30
7.0.0,555,1,GapC,2,131215,0,True,True,True,True,False,6,1.962553820836282e-11,30
7.0.0,555,2,GapC,2,131215,0,True,True,True,True,False,15,9.141591370950478e-11,168
7.0.0,556,1,Gaploc,2,131215,0,True,True,True,True,False,6,1.1374624152488777e-11,30
7.0.0,556,2,Gaploc,2,131215,0,True,True,True,True,False,15,4.1995025285579364e-11,168
7.0.0,557,1,another spin-dependent correction to PBEint,2,131215,0,True,True,True,True,False,6,8.16895891562055e-12,30
7.0.0,557,2,another spin-dependent correction to PBEint,2,131215,0,True,True,True,True,False,15,4.938132479702437e-11,168
7.0.0,558,1,another spin-dependent correction to PBEsol,2,131215,0,True,True,True,True,False,6,5.483788766543079e-12,30
7.0.0,558,2,another spin-dependent correction to PBEsol,2,131215,0,True,True,True,True,False,15,4.9539052984151666e-11,168
7.0.0,559,1,"Takkar and McCarthy reparametrization, also known as reLYP",2,131215,4,True,True,True,True,False,6,5.435821010489528e-12,30
7.0.0,559,2,"Takkar and McCarthy reparametrization, also known as reLYP",2,131215,4,True,True,True,True,False,15,1.3298166582333044e-10,168
7.0.0,560,1,Thakkar and McCarthy reparametrization,2,131215,3,True,True,True,True,False,6,9.373532736328624e-11,30
7.0.0,560,2,Thakkar and McCarthy reparametrization,2,131215,3,True,True,True,True,False,15,4.3893845006974447e-10,168
7.0.0,561,1,Wilson 94 (Eq. 25),2,131215,0,True,True,True,True,False,6,1.3848938509611573e-09,30
7.0.0,561,2,Wilson 94 (Eq. 25),2,131215,0,True,True,True,True,False,15,4.783731484351421e-09,168
7.0.0,562,1,"Krieger, Chen, Iafrate, and Savin",4,196751,0,True,True,True,True,False,9,7.961662872037131e-10,60
7.0.0,562,2,"Krieger, Chen, Iafrate, and Savin",4,196751,0,True,True,True,True,False,21,3.12850355929921e-09,360
7.0.0,563,1,Hybrid based on KCIS,64,196751,0,True,True,True,True,False,9,1.3745674820965322e-09,60
7.0.0,563,2,Hybrid based on KCIS,64,196751,0,True,True,True,True,False,21,5.734830979761247e-09,360
7.0.0,564,1,"Lee & Parr, Eq. (56)",4,163983,0,True,True,True,True,False,9,1.0464193113582618e-10,60
7.0.0,564,2,"Lee & Parr, Eq. (56)",4,163983,0,True,True,True,True,False,21,5.1722247824307e-11,360
7.0.0,565,1,A dynamical correlation functional,2,131215,0,True,True,True,True,False,6,7.741736286825139e-12,30
7.0.0,565,2,A dynamical correlation functional,2,131215,0,True,True,True,True,False,15,1.4708282353595722e-09,168
7.0.0,566,1,MPW1KCIS for barrier heights,64,196751,0,True,True,True,True,False,9,4.079577815232333e-09,60
7.0.0,566,2,MPW1KCIS for barrier heights,64,196751,0,True,True,True,True,False,21,1.1577182625438231e-08,360
7.0.0,567,1,MPWKCIS1K for barrier heights,64,196751,0,True,True,True,True,False,9,2.791871326999421e-09,60
7.0.0,567,2,MPWKCIS1K for barrier heights,64,196751,0,True,True,True,True,False,21,9.935612905169175e-09,360
7.0.0,568,1,PBE1KCIS for binding energies,64,196751,0,True,True,True,True,False,9,1.0318448725395402e-09,60
7.0.0,568,2,PBE1KCIS for binding energies,64,196751,0,True,True,True,True,False,21,3.131721640280049e-09,360
7.0.0,569,1,TPSS1KCIS for thermochemistry and kinetics,64,196751,0,True,True,True,True,False,9,7.824007542692458e-10,60
7.0.0,569,2,TPSS1KCIS for thermochemistry and kinetics,64,196751,0,True,True,True,True,False,21,9.70647119439261e-09,360
7.0.0,570,1,Becke 88 reoptimized to be used with tau1,2,131215,2,True,True,True,True,False,6,1.0704705972882382e-10,30
7.0.0,570,2,Becke 88 reoptimized to be used with tau1,2,131215,2,True,True,True,True,False,15,7.338297598656416e-09,168
7.0.0,571,1,Meta-GGA correlation by Becke,4,196751,0,True,True,True,True,False,9,5.584980462104931e-11,60
7.0.0,571,2,Meta-GGA correlation by Becke,4,196751,0,True,True,True,True,False,21,5.0964312909429595e-09,360
7.0.0,572,1,B5050LYP,32,131215,3,True,True,True,True,False,6,7.337899928242691e-11,30
7.0.0,572,2,B5050LYP,32,131215,3,True,True,True,True,False,15,5.025221477993158e-09,168
7.0.0,573,1,Wigner with corresponding LYP parameters,1,131215,2,True,True,True,True,False,3,7.045832806939638e-12,12
7.0.0,573,2,Wigner with corresponding LYP parameters,1,131215,2,True,True,True,True,False,6,4.900757096164049e-11,30
7.0.0,574,1,Optimized Wigner,1,131215,2,True,True,True,True,False,3,7.504781348573308e-12,12
7.0.0,574,2,Optimized Wigner,1,131215,2,True,True,True,True,False,6,5.231155269831604e-11,30
7.0.0,575,1,GX functional of Loos,4,196751,3,True,True,True,True,False,9,1.5296181106901157e-10,60
7.0.0,575,2,GX functional of Loos,4,196751,3,True,True,True,True,False,21,1.840973237294378e-10,360
7.0.0,576,1,PBE-GX functional of Loos,4,196751,0,True,True,True,True,False,9,1.5179483100485307e-10,60
7.0.0,576,2,PBE-GX functional of Loos,4,196751,0,True,True,True,True,False,21,1.8289538923140748e-10,360
7.0.0,577,1,"Groth, Dornheim, Sjostrom, Malone, Foulkes, Bonitz",1,131215,1,True,True,True,True,False,3,9.952945804769693e-11,12
7.0.0,577,2,"Groth, Dornheim, Sjostrom, Malone, Foulkes, Bonitz",1,131215,1,True,True,True,True,False,6,8.994954948654261e-11,30
7.0.0,578,1,Gordon and Kim 1972,1,131215,0,True,True,True,True,False,3,9.840272852506264e-12,12
7.0.0,578,2,Gordon and Kim 1972,1,131215,0,True,True,True,True,False,6,4.969999197346958e-12,30
7.0.0,579,1,Karasiev reparameterization of Chachiyo,1,131215,6,True,True,True,True,False,3,1.1093831532986897e-11,12
7.0.0,579,2,Karasiev reparameterization of Chachiyo,1,131215,6,True,True,True,True,False,6,4.1294491313407355e-11,30
7.0.0,580,1,Liu-Parr kinetic,1,131215,3,True,True,True,True,False,3,1.163792169020121e-11,12
7.0.0,580,2,Liu-Parr kinetic,1,131215,3,True,True,True,True,False,6,5.810333804020246e-12,30
7.0.0,581,1,revised SCAN,4,196751,4,True,True,True,True,False,9,1.7875901698941916e-09,60
7.0.0,581,2,revised SCAN,4,196751,4,True,True,True,True,False,21,8.64140329326864e-10,360
7.0.0,582,1,revised SCAN,4,196751,0,True,True,True,True,False,9,1.7650195243804424e-09,60
7.0.0,582,2,revised SCAN,4,196751,0,True,True,True,True,False,21,6.39409503547079e-10,360
7.0.0,583,1,revised SCAN hybrid exchange (SCAN0),64,196751,1,True,True,True,True,False,9,1.5702224442120476e-09,60
7.0.0,583,2,revised SCAN hybrid exchange (SCAN0),64,196751,1,True,True,True,True,False,21,7.300809725039118e-10,360
7.0.0,584,1,SCAN + VV10 correlation,4,197775,0,True,True,True,True,False,9,1.4729821864113353e-09,60
7.0.0,584,2,SCAN + VV10 correlation,4,197775,0,True,True,True,True,False,21,4.074735472350495e-10,360
7.0.0,585,1,REVSCAN + VV10 correlation,4,197775,0,True,True,True,True,False,9,1.7650195243804424e-09,60
7.0.0,585,2,REVSCAN + VV10 correlation,4,197775,0,True,True,True,True,False,21,6.39409503547079e-10,360
7.0.0,586,1,"Becke-Roussel 89 with an explicit inversion of x(y), gamma = 0.8",4,229519,1,True,True,True,True,False,12,3.5249197880330454e-10,105
7.0.0,586,2,"Becke-Roussel 89 with an explicit inversion of x(y), gamma = 0.8",4,229519,1,True,True,True,True,False,27,3.785348466419205e-10,660
7.0.0,587,1,"Keal and Tozer, version 3",2,131215,0,True,True,True,True,False,6,1.0413412436520568e-10,30
7.0.0,587,2,"Keal and Tozer, version 3",2,131215,0,True,True,True,True,False,15,5.203929059308319e-09,168
7.0.0,588,1,"Baer and Neuhauser, gamma=1",128,131727,1,True,True,True,True,False,3,1.0077727305248599e-10,12
7.0.0,588,2,"Baer and Neuhauser, gamma=1",128,131727,1,True,True,True,True,False,6,8.726434238105409e-11,30
7.0.0,589,1,"Livshits and Baer, empirical functional also used for IP tuning",32,131471,2,True,True,True,True,False,6,1.019130857303471e-10,30
7.0.0,589,2,"Livshits and Baer, empirical functional also used for IP tuning",32,131471,2,True,True,True,True,False,15,9.108158820997067e-11,168
7.0.0,590,1,Long-range LDA correlation functional,1,147599,1,True,True,True,True,False,3,3.777965974411851e-12,12
7.0.0,590,2,Long-range LDA correlation functional,1,147599,1,True,True,True,True,False,6,2.762517843524098e-11,30
7.0.0,591,1,Combined analytical theory with Monte Carlo sampling,2,131215,0,True,True,True,True,False,6,2.878962938510385e-10,30
7.0.0,591,2,Combined analytical theory with Monte Carlo sampling,2,131215,0,True,True,True,True,False,15,5.937344944676146e-10,168
7.0.0,592,1,As GDS08 but for an electron gas with spin,2,131215,0,True,True,True,True,False,6,1.8078627532257457e-10,30
7.0.0,592,2,As GDS08 but for an electron gas with spin,2,131215,0,True,True,True,True,False,15,3.203983155438145e-10,168
7.0.0,593,1,Reparametrized GHDS10,2,131215,0,True,True,True,True,False,6,1.7205082741858046e-10,30
7.0.0,593,2,Reparametrized GHDS10,2,131215,0,True,True,True,True,False,15,3.528849683082366e-10,168
7.0.0,594,1,"Trickey, Karasiev, and Vela",2,131215,0,True,True,True,True,False,6,1.7279093995377966e-10,30
7.0.0,594,2,"Trickey, Karasiev, and Vela",2,131215,0,True,True,True,True,False,15,3.576962679711128e-10,168
7.0.0,595,1,Three parameter PBE-like expansion,2,131215,4,True,True,True,True,False,6,7.1069283660581315e-09,30
7.0.0,595,2,Three parameter PBE-like expansion,2,131215,4,True,True,True,True,False,15,3.6907204159859914e-07,168
7.0.0,596,1,Four parameter PBE-like expansion,2,131215,4,True,True,True,True,False,6,2.3293194127996313e-09,30
7.0.0,596,2,Four parameter PBE-like expansion,2,131215,4,True,True,True,True,False,15,1.4272675082212096e-06,168
7.0.0,597,1,Intermediate form between PBE3 and PBE4,2,131215,0,True,True,True,True,False,6,2.684002103210369e-07,30
7.0.0,597,2,Intermediate form between PBE3 and PBE4,2,131215,0,True,True,True,True,False,15,6.249041752362653e-07,168
7.0.0,598,1,Becke 98,64,229519,0,True,True,True,True,False,12,1.5012423387275983e-09,105
7.0.0,598,2,Becke 98,64,229519,0,True,True,True,True,False,27,8.98248509126935e-10,660
7.0.0,599,1,Neural network LDA from Tozer et al,1,131214,0,False,True,True,True,False,0,0,9
7.0.0,599,2,Neural network LDA from Tozer et al,1,131214,0,False,True,True,True,False,0,0,27
7.0.0,600,1,Exchange in 1D for an exponentially screened interaction,1,131119,1,True,True,True,True,False,3,1.2786476043397136e-10,12
7.0.0,600,2,Exchange in 1D for an exponentially screened interaction,1,131119,1,True,True,True,True,False,6,1.3386099925415567e-10,30
7.0.0,601,1,Short-range recipe for PBE functional - Yukawa,2,131215,1,True,True,True,True,False,6,1.0815212123524969e-10,30
7.0.0,601,2,Short-range recipe for PBE functional - Yukawa,2,131215,1,True,True,True,True,False,15,3.006543826870734e-10,168
7.0.0,602,1,"Becke-Roussel 89 with an explicit inversion of x(y), gamma = 1.0",4,229519,1,True,True,True,True,False,12,2.400364627912949e-10,105
7.0.0,602,2,"Becke-Roussel 89 with an explicit inversion of x(y), gamma = 1.0",4,229519,1,True,True,True,True,False,27,4.133292818029403e-10,660
7.0.0,603,1,Regularized TPSS,4,196751,0,True,True,True,True,False,9,1.0366788419151379e-10,60
7.0.0,603,2,Regularized TPSS,4,196751,0,True,True,True,True,False,21,1.0791185264679333e-08,360
7.0.0,604,1,Functional derivative recovered from the stray LB94 potential,2,131215,1,True,True,True,True,False,6,1.9733001673553832e-10,30
7.0.0,604,2,Functional derivative recovered from the stray LB94 potential,2,131215,1,True,True,True,True,False,15,7.300650160243434e-09,168
7.0.0,605,1,Revised FD_LB94,2,131215,1,True,True,True,True,False,6,1.0544892844881212e-10,30
7.0.0,605,2,Revised FD_LB94,2,131215,1,True,True,True,True,False,15,2.544825453270875e-10,168
7.0.0,606,1,PBEloc variation with enhanced compatibility with exact exchange,2,131215,0,True,True,True,True,False,6,1.596268510752159e-11,30
7.0.0,606,2,PBEloc variation with enhanced compatibility with exact exchange,2,131215,0,True,True,True,True,False,15,6.32740995494817e-10,168
7.0.0,607,1,Hybrid based on APBE,32,131215,0,True,True,True,True,False,6,8.631256658130948e-11,30
7.0.0,607,2,Hybrid based on APBE,32,131215,0,True,True,True,True,False,15,6.221948810064282e-10,168
7.0.0,608,1,Hybrid based in APBE and zvPBEloc,32,131215,0,True,True,True,True,False,6,9.000771321394392e-11,30
7.0.0,608,2,Hybrid based in APBE and zvPBEloc,32,131215,0,True,True,True,True,False,15,6.037491669749026e-10,168
7.0.0,609,1,JS17 meta-GGA for 2D,4,196687,0,True,True,True,True,False,9,2.0662838322533976e-08,60
7.0.0,609,2,JS17 meta-GGA for 2D,4,196687,0,True,True,True,True,False,21,8.748077356909021e-08,360
7.0.0,610,1,"Similar to CAM-B3LYP, but trying to reduce the many-electron self-interaction",32,131471,4,True,True,True,True,False,6,1.0182946146850599e-10,30
7.0.0,610,2,"Similar to CAM-B3LYP, but trying to reduce the many-electron self-interaction",32,131471,4,True,True,True,True,False,15,3.911961411433673e-09,168
7.0.0,611,1,hybrid fitted to carbon NMR shifts,32,131215,0,True,True,True,True,False,6,8.66156841102815e-11,30
7.0.0,611,2,hybrid fitted to carbon NMR shifts,32,131215,0,True,True,True,True,False,15,6.604034539982282e-09,168
7.0.0,612,1,hybrid fitted to proton NMR shifts,32,131215,0,True,True,True,True,False,6,1.0465950023079342e-10,30
7.0.0,612,2,hybrid fitted to proton NMR shifts,32,131215,0,True,True,True,True,False,15,6.507844488661983e-09,168
7.0.0,613,1,Luo-Karasiev-Trickey GGA kinetic,2,131215,1,True,True,True,True,False,6,1.5978365567265109e-10,30
7.0.0,613,2,Luo-Karasiev-Trickey GGA kinetic,2,131215,1,True,True,True,True,False,15,2.6352117841273435e-09,168
7.0.0,614,1,"CAM version of B3LYP, tuned for TDDFT",32,131471,4,True,True,True,True,False,6,9.738580200478363e-11,30
7.0.0,614,2,"CAM version of B3LYP, tuned for TDDFT",32,131471,4,True,True,True,True,False,15,5.8522520137863415e-09,168
7.0.0,615,1,Long-range corrected short-range hybrid PBE (whPBE0) by Shao et al,32,131471,3,True,True,True,True,False,6,4.095566692418415e-11,30
7.0.0,615,2,Long-range corrected short-range hybrid PBE (whPBE0) by Shao et al,32,131471,3,True,True,True,True,False,15,6.524717117452481e-10,168
7.0.0,616,1,Three parameter PBE-like expansion,2,131215,4,True,True,True,True,False,6,1.7937245784676762e-10,30
7.0.0,616,2,Three parameter PBE-like expansion,2,131215,4,True,True,True,True,False,15,6.525605076151743e-10,168
7.0.0,617,1,L0.4 by Laricchia et al,4,163983,1,True,True,True,True,False,9,1.46863616528485e-10,60
7.0.0,617,2,L0.4 by Laricchia et al,4,163983,1,True,True,True,True,False,21,2.4405755219702674e-10,360
7.0.0,618,1,L0.6 by Laricchia et al,4,163983,1,True,True,True,True,False,9,1.4691264923758233e-10,60
7.0.0,618,2,L0.6 by Laricchia et al,4,163983,1,True,True,True,True,False,21,1.5469110094859144e-10,360
7.0.0,619,1,VT84F by Karasiev et al,2,131215,2,True,True,True,True,False,6,1.59335197818941e-09,30
7.0.0,619,2,VT84F by Karasiev et al,2,131215,2,True,True,True,True,False,15,8.072683420266925e-08,168
7.0.0,620,1,LGAP by Constantin et al,2,131215,4,True,True,True,True,False,6,1.246160299509074e-09,30
7.0.0,620,2,LGAP by Constantin et al,2,131215,4,True,True,True,True,False,15,7.170720976485795e-09,168
7.0.0,621,1,Reduced derivative approximation by Karasiev et al,4,163983,10,True,True,True,True,False,9,7.011286092537041e-10,60
7.0.0,621,2,Reduced derivative approximation by Karasiev et al,4,163983,10,True,True,True,True,False,21,1.0627411292358684e-07,360
7.0.0,622,1,Short-range recipe for OPTX functional,2,131215,4,True,True,True,True,False,6,8.295226643596046e-08,30
7.0.0,622,2,Short-range recipe for OPTX functional,2,131215,4,True,True,True,True,False,15,6.33681051199446e-07,168
7.0.0,623,1,Short-range recipe for PBE functional,2,131215,3,True,True,True,True,False,6,1.126694651213972e-10,30
7.0.0,623,2,Short-range recipe for PBE functional,2,131215,3,True,True,True,True,False,15,2.911734984541208e-10,168
7.0.0,624,1,"Short-range LYP by Ai, Fang, and Su",2,131215,7,True,True,True,True,False,6,9.864307931318489e-12,30
7.0.0,624,2,"Short-range LYP by Ai, Fang, and Su",2,131215,7,True,True,True,True,False,15,6.815389119493117e-11,168
7.0.0,625,1,LC version of BLYP for electron affinities,32,131471,1,True,True,True,True,False,6,1.1170992227120054e-10,30
7.0.0,625,2,LC version of BLYP for electron affinities,32,131471,1,True,True,True,True,False,15,4.376316420637876e-09,168
7.0.0,626,1,Regularized Tao and Mo exchange,4,196751,0,True,True,True,True,False,9,2.6997418166002225e-10,60
7.0.0,626,2,Regularized Tao and Mo exchange,4,196751,0,True,True,True,True,False,21,8.394251805826197e-09,360
7.0.0,627,1,Second-order gradient expansion,4,163983,0,True,True,True,True,False,9,1.4671402140337808e-10,60
7.0.0,627,2,Second-order gradient expansion,4,163983,0,True,True,True,True,False,21,1.5460287171131305e-10,360
7.0.0,628,1,Fourth-order gradient expansion,4,163983,0,True,True,True,True,False,9,1.467196900476755e-10,60
7.0.0,628,2,Fourth-order gradient expansion,4,163983,0,True,True,True,True,False,21,1.5485285488564718e-10,360
7.0.0,629,1,"mGGA-rev functional by Cancio, Stewart, and Kuna (a=1)",4,163983,1,True,True,True,True,False,9,1.4671391741054743e-10,60
7.0.0,629,2,"mGGA-rev functional by Cancio, Stewart, and Kuna (a=1)",4,163983,1,True,True,True,True,False,21,1.0853264681772462e-07,360
7.0.0,630,1,"mGGA-rev functional by Cancio, Stewart, and Kuna (a=4)",4,163983,1,True,True,True,True,False,9,1.4671391741054743e-10,60
7.0.0,630,2,"mGGA-rev functional by Cancio, Stewart, and Kuna (a=4)",4,163983,1,True,True,True,True,False,21,1.5460287171131305e-10,360
7.0.0,631,1,"mGGAloc-rev functional by Cancio, Stewart, and Kuna (a=1)",4,163983,3,True,True,True,True,False,9,1.3846979951052782e-10,60
7.0.0,631,2,"mGGAloc-rev functional by Cancio, Stewart, and Kuna (a=1)",4,163983,3,True,True,True,True,False,21,2.859204114507956e-07,360
7.0.0,632,1,"mGGAloc-rev functional by Cancio, Stewart, and Kuna (a=4)",4,163983,3,True,True,True,True,False,9,1.3846979951052782e-10,60
7.0.0,632,2,"mGGAloc-rev functional by Cancio, Stewart, and Kuna (a=4)",4,163983,3,True,True,True,True,False,21,1.4605218688082515e-10,360
7.0.0,633,1,LGAP-GE by Constantin et al,2,131215,3,True,True,True,True,False,6,1.2446633691561232e-09,30
7.0.0,633,2,LGAP-GE by Constantin et al,2,131215,3,True,True,True,True,False,15,7.2010193911352955e-09,168
7.0.0,634,1,Reoptimized PC07 by Mejia-Rodriguez and Trickey,4,163983,2,True,True,True,True,False,9,1.364129637720402e-10,60
7.0.0,634,2,Reoptimized PC07 by Mejia-Rodriguez and Trickey,4,163983,2,True,True,True,True,False,21,1.0700550062929686e-08,360
7.0.0,635,1,empirically optimized gamma-TFvW form,2,131215,2,True,True,True,True,False,6,1.5386238512651895e-10,30
7.0.0,635,2,empirically optimized gamma-TFvW form,2,131215,2,True,True,True,True,False,15,2.648925594800309e-10,168
7.0.0,636,1,LC version of B88,32,131471,1,True,True,True,True,False,6,1.0877331379036148e-10,30
7.0.0,636,2,LC version of B88,32,131471,1,True,True,True,True,False,15,6.858069043946993e-09,168
7.0.0,637,1,LC version of PBE,32,131471,1,True,True,True,True,False,6,1.1101466035152415e-10,30
7.0.0,637,2,LC version of PBE,32,131471,1,True,True,True,True,False,15,1.2512168612215042e-09,168
7.0.0,638,1,"Krieger, Chen, and Kurth",4,196751,0,True,True,True,True,False,9,9.413990112004387e-12,60
7.0.0,638,2,"Krieger, Chen, and Kurth",4,196751,0,True,True,True,True,False,21,9.941458167638646e-10,360
7.0.0,639,1,LC version of BLYP with correlation only in the short range,32,131471,1,True,True,True,True,False,6,1.1380503666299446e-10,30
7.0.0,639,2,LC version of BLYP with correlation only in the short range,32,131471,1,True,True,True,True,False,15,3.5545175125801406e-09,168
7.0.0,640,1,"Modified CAM-B3LYP by Day, Nguyen and Pachter",32,131471,4,True,True,True,True,False,6,9.710183865809186e-11,30
7.0.0,640,2,"Modified CAM-B3LYP by Day, Nguyen and Pachter",32,131471,4,True,True,True,True,False,15,6.185795552122821e-09,168
7.0.0,641,1,Short-range LDA exchange with Yukawa attenuation,1,131215,1,True,True,True,True,False,3,1.0622116435470136e-10,12
7.0.0,641,2,Short-range LDA exchange with Yukawa attenuation,1,131215,1,True,True,True,True,False,6,1.1263119944948577e-10,30
7.0.0,642,1,Re-regularized SCAN correlation with larger value for eta,4,196751,1,True,True,True,True,False,9,3.778686845487232e-09,60
7.0.0,642,2,Re-regularized SCAN correlation with larger value for eta,4,196751,1,True,True,True,True,False,21,2.03942483002354e-09,360
7.0.0,643,1,Revised correlation energy for MGGAC exchange functional,4,196751,0,True,True,True,True,False,9,6.973540708531876e-11,60
7.0.0,643,2,Revised correlation energy for MGGAC exchange functional,4,196751,0,True,True,True,True,False,21,2.982548036911824e-10,360
7.0.0,644,1,MCML exchange,4,196751,0,True,True,True,True,False,9,6.147289879642594e-10,60
7.0.0,644,2,MCML exchange,4,196751,0,True,True,True,True,False,21,1.8004768359831557e-09,360
7.0.0,645,1,Re-regularized SCAN exchange by Furness et al with larger value for eta,4,196751,6,True,True,True,True,False,9,1.6312628976296303e-09,60
7.0.0,645,2,Re-regularized SCAN exchange by Furness et al with larger value for eta,4,196751,6,True,True,True,True,False,21,2.3292279698245922e-07,360
7.0.0,646,1,Swart 2012 range-separated hybrid GGA exchange,32,131471,8,True,True,True,True,False,6,8.58328537627114e-11,30
7.0.0,646,2,Swart 2012 range-separated hybrid GGA exchange,32,131471,8,True,True,True,True,False,15,2.0865070098298727e-08,168
7.0.0,647,1,Swart 2012 range-separated hybrid GGA exchange,32,131471,8,True,True,True,True,False,6,1.4294113891079712e-10,30
7.0.0,647,2,Swart 2012 range-separated hybrid GGA exchange,32,131471,8,True,True,True,True,False,15,1.2320402130428269e-08,168
7.0.0,648,1,r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior,4,196751,4,True,True,True,True,False,9,2.594438970512928e-09,60
7.0.0,648,2,r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior,4,196751,4,True,True,True,True,False,21,1.278840534241965e-09,360
7.0.0,649,1,r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior,4,196751,1,True,True,True,True,False,9,3.7611276474038174e-09,60
7.0.0,649,2,r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior,4,196751,1,True,True,True,True,False,21,2.042926112173424e-09,360
7.0.0,650,1,"r$^{4}$SCAN, a functional that satisfies the same exact constraints that SCAN does",4,196751,8,True,True,True,True,False,9,1.7076805018188025e-09,60
7.0.0,650,2,"r$^{4}$SCAN, a functional that satisfies the same exact constraints that SCAN does",4,196751,8,True,True,True,True,False,21,2.2769649287153109e-07,360
7.0.0,651,1,Exchange part of VCML-rVV10 by Trepte and Voss,4,196751,0,True,True,True,True,False,9,5.212112017872505e-10,60
7.0.0,651,2,Exchange part of VCML-rVV10 by Trepte and Voss,4,196751,0,True,True,True,True,False,21,1.0197175933311162e-09,360
7.0.0,652,1,VCML-rVV10 by Trepte and Voss,4,197775,0,True,True,True,True,False,9,4.92240186493196e-10,60
7.0.0,652,2,VCML-rVV10 by Trepte and Voss,4,197775,0,True,True,True,True,False,21,1.1072383200637173e-09,360
7.0.0,653,1,Long-range corrected functional based on short-range LDA exchange (erfc),1,131471,1,True,True,True,True,False,3,1.1057224549862145e-10,12
7.0.0,653,2,Long-range corrected functional based on short-range LDA exchange (erfc),1,131471,1,True,True,True,True,False,6,1.173803725250218e-10,30
7.0.0,654,1,Short ranged correlation LDA (erfc),1,131215,1,True,True,True,True,False,3,1.652961423377981e-11,12
7.0.0,654,2,Short ranged correlation LDA (erfc),1,131215,1,True,True,True,True,False,6,3.5665650978789934e-11,30
7.0.0,655,1,Short ranged PBE exchange (erfc),2,131215,4,True,True,True,True,False,6,1.1030977871662286e-10,30
7.0.0,655,2,Short ranged PBE exchange (erfc),2,131215,4,True,True,True,True,False,15,1.1996342582025765e-10,168
7.0.0,656,1,Short-range PBE (GWS) exchange (erfc) + long-range exact exchange,32,131471,4,True,True,True,True,False,6,1.1030977871662286e-10,30
7.0.0,656,2,Short-range PBE (GWS) exchange (erfc) + long-range exact exchange,32,131471,4,True,True,True,True,False,15,1.1996342582025765e-10,168
7.0.0,657,1,Short ranged PBE correlation (erfc),2,131215,4,True,True,True,True,False,6,1.5162225435287316e-11,30
7.0.0,657,2,Short ranged PBE correlation (erfc),2,131215,4,True,True,True,True,False,15,3.507136585351828e-11,168
7.0.0,658,1,Google Accelerated Science 22,64,198031,16,True,True,True,True,False,9,8.329630683605597e-09,60
7.0.0,658,2,Google Accelerated Science 22,64,198031,16,True,True,True,True,False,21,6.812497833816083e-08,360
7.0.0,659,1,r2SCANh: r2SCAN hybrid like TPSSh with 10% exact exchange,64,196751,1,True,True,True,True,False,9,7.534647606435913e-10,60
7.0.0,659,2,r2SCANh: r2SCAN hybrid like TPSSh with 10% exact exchange,64,196751,1,True,True,True,True,False,21,2.6568410894639945e-07,360
7.0.0,660,1,r2SCAN0: r2SCAN hybrid like PBE0 with 25% exact exchange,64,196751,1,True,True,True,True,False,9,9.883738122560683e-10,60
7.0.0,660,2,r2SCAN0: r2SCAN hybrid like PBE0 with 25% exact exchange,64,196751,1,True,True,True,True,False,21,2.5346403784511593e-07,360
7.0.0,661,1,r2SCAN50: r2SCAN hybrid like PBE50 with 50% exact exchange,64,196751,1,True,True,True,True,False,9,1.6392709769175742e-09,60
7.0.0,661,2,r2SCAN50: r2SCAN hybrid like PBE50 with 50% exact exchange,64,196751,1,True,True,True,True,False,21,2.2271362139351628e-07,360
7.0.0,681,1,CAM hybrid screened exchange PBE version,32,131471,3,True,True,True,True,False,6,5.18518831596907e-11,30
7.0.0,681,2,CAM hybrid screened exchange PBE version,32,131471,3,True,True,True,True,False,15,5.413225206444316e-10,168
7.0.0,682,1,CAMY hybrid screened exchange PBE version,32,131727,3,True,True,True,True,False,6,3.5872944196469394e-11,30
7.0.0,682,2,CAMY hybrid screened exchange PBE version,32,131727,3,True,True,True,True,False,15,1.1968696069498159e-09,168
7.0.0,683,1,"Ruggeri, Rios, and Alavi unrestricted fit",1,131215,22,True,True,True,True,False,3,1.1459594250828127e-11,12
7.0.0,683,2,"Ruggeri, Rios, and Alavi unrestricted fit",1,131215,22,True,True,True,True,False,6,4.96413575851295e-11,30
7.0.0,684,1,"Ruggeri, Rios, and Alavi restricted fit",1,131215,22,True,True,True,True,False,3,1.1294418645179457e-11,12
7.0.0,684,2,"Ruggeri, Rios, and Alavi restricted fit",1,131215,22,True,True,True,True,False,6,4.928727104847339e-11,30
7.0.0,685,1,LDA-type exchange with tau-dependent potential,4,196751,1,True,True,True,True,False,9,1.343383829188882e-10,60
7.0.0,685,2,LDA-type exchange with tau-dependent potential,4,196751,1,True,True,True,True,False,21,1.6029411487252754e-10,360
7.0.0,686,1,Tao 2001,4,245903,0,True,True,True,True,False,12,6.601277940592377e-10,105
7.0.0,686,2,Tao 2001,4,245903,0,True,True,True,True,False,27,6.211769122900655e-10,660
7.0.0,687,1,Generalized density-matrix with a=1/2,4,229519,3,True,True,True,True,False,12,4.2902591116315366e-10,105
7.0.0,687,2,Generalized density-matrix with a=1/2,4,229519,3,True,True,True,True,False,27,7.813838296959623e-10,660
7.0.0,688,1,Reparametrized local-density approximation,4,245903,1,True,True,True,True,False,12,1.734233144153514e-09,105
7.0.0,688,2,Reparametrized local-density approximation,4,245903,1,True,True,True,True,False,27,2.530993521981284e-09,660
7.0.0,689,1,Generalized density-matrix with a=0,4,229519,3,True,True,True,True,False,12,4.2861341917746733e-10,105
7.0.0,689,2,Generalized density-matrix with a=0,4,229519,3,True,True,True,True,False,27,7.807804691517647e-10,660
7.0.0,690,1,Generalized density-matrix with a=0.00638,4,229519,3,True,True,True,True,False,12,4.285227333036005e-10,105
7.0.0,690,2,Generalized density-matrix with a=0.00638,4,229519,3,True,True,True,True,False,27,7.803647858377323e-10,660
7.0.0,691,1,"Varied-terms (VT) mGGA of Koehl, Odom, and Scuseria",4,229519,3,True,True,True,True,False,12,2.7335784760159334e-10,105
7.0.0,691,2,"Varied-terms (VT) mGGA of Koehl, Odom, and Scuseria",4,229519,3,True,True,True,True,False,27,5.38704641858166e-10,660
7.0.0,692,1,simple local model for Slater potential,1,131215,2,True,True,True,True,False,3,1.1903645934887923e-10,12
7.0.0,692,2,simple local model for Slater potential,1,131215,2,True,True,True,True,False,6,1.2392871573224356e-10,30
7.0.0,693,1,revised Tao and Mo 2016 exchange,4,196751,0,True,True,True,True,False,9,1.0195678419210717e-10,60
7.0.0,693,2,revised Tao and Mo 2016 exchange,4,196751,0,True,True,True,True,False,21,3.9126713262875323e-10,360
7.0.0,694,1,revised Tao and Mo 2016 exchange,4,196751,5,True,True,True,True,False,9,7.425536225160247e-12,60
7.0.0,694,2,revised Tao and Mo 2016 exchange,4,196751,5,True,True,True,True,False,21,4.9744827004720664e-11,360
7.0.0,695,1,EDMGGA hybrid,64,245903,0,True,True,True,True,False,12,5.816767350857167e-10,105
7.0.0,695,2,EDMGGA hybrid,64,245903,0,True,True,True,True,False,27,5.109318558875522e-10,660
7.0.0,696,1,Modified Becke-Roussel for band gaps - cuspless hole,4,213135,0,True,True,True,True,False,9,3.2562621819601494e-10,60
7.0.0,696,2,Modified Becke-Roussel for band gaps - cuspless hole,4,213135,0,True,True,True,True,False,21,8.477775416001918e-09,360
7.0.0,697,1,Modified Becke-Roussel for band gaps - hydrogen hole,4,213135,0,True,True,True,True,False,9,2.8750816015576663e-08,60
7.0.0,697,2,Modified Becke-Roussel for band gaps - hydrogen hole,4,213135,0,True,True,True,True,False,21,1.2164433588842852e-08,360
7.0.0,698,1,Half-and-half meta-LDAized LDA exchange by Lehtola and Marques,4,196751,1,True,True,True,True,False,9,1.7226445693657804e-10,60
7.0.0,698,2,Half-and-half meta-LDAized LDA exchange by Lehtola and Marques,4,196751,1,True,True,True,True,False,21,1.888464657476279e-10,360
7.0.0,699,1,Half-and-half meta-LDAized PW correlation by Lehtola and Marques,4,196751,1,True,True,True,True,False,9,5.7575851029502e-12,60
7.0.0,699,2,Half-and-half meta-LDAized PW correlation by Lehtola and Marques,4,196751,1,True,True,True,True,False,21,3.1651184920041356e-11,360
7.0.0,700,1,Deorbitalized SCAN (SCAN-L) exchange,4,163983,6,True,True,True,True,False,9,5.62458105389053e-10,60
7.0.0,700,2,Deorbitalized SCAN (SCAN-L) exchange,4,163983,6,True,True,True,True,False,21,1.5545579009580797e-07,360
7.0.0,701,1,Deorbitalized revised SCAN (revSCAN-L) exchange,4,163983,6,True,True,True,True,False,9,1.281091218276823e-10,60
7.0.0,701,2,Deorbitalized revised SCAN (revSCAN-L) exchange,4,163983,6,True,True,True,True,False,21,1.4435718092793433e-07,360
7.0.0,702,1,Deorbitalized SCAN (SCAN-L) correlation,4,163983,2,True,True,True,True,False,9,1.6153118511602182e-10,60
7.0.0,702,2,Deorbitalized SCAN (SCAN-L) correlation,4,163983,2,True,True,True,True,False,21,1.1001495588314025e-09,360
7.0.0,703,1,SCAN-L + rVV10 correlation,4,165007,0,True,True,True,True,False,9,1.6153118511602182e-10,60
7.0.0,703,2,SCAN-L + rVV10 correlation,4,165007,0,True,True,True,True,False,21,1.1001495588314025e-09,360
7.0.0,704,1,SCAN-L + VV10 correlation,4,165007,0,True,True,True,True,False,9,1.6153118511602182e-10,60
7.0.0,704,2,SCAN-L + VV10 correlation,4,165007,0,True,True,True,True,False,21,1.1001495588314025e-09,360
7.0.0,705,1,"Jana and Samal 2018, screened range-separated TM exchange",64,197007,2,True,True,True,True,False,9,2.679976892863133e-10,60
7.0.0,705,2,"Jana and Samal 2018, screened range-separated TM exchange",64,197007,2,True,True,True,True,False,21,1.4142356311341896e-09,360
7.0.0,706,1,"Patra, Jana and Samal 2018, screened range-separated TM exchange",64,197007,1,True,True,True,True,False,9,1.6758361319503731e-10,60
7.0.0,706,2,"Patra, Jana and Samal 2018, screened range-separated TM exchange",64,197007,1,True,True,True,True,False,21,5.210470555781424e-09,360
7.0.0,707,1,TASK exchange of Aschebrock and Kuemmel,4,196751,11,True,True,True,True,False,9,6.781739642782707e-10,60
7.0.0,707,2,TASK exchange of Aschebrock and Kuemmel,4,196751,11,True,True,True,True,False,21,1.0085525559799295e-08,360
7.0.0,711,1,MGGAC exchange of Patra et al,4,196751,0,True,True,True,True,False,9,3.7726990831783423e-10,60
7.0.0,711,2,MGGAC exchange of Patra et al,4,196751,0,True,True,True,True,False,21,7.645831257775855e-09,360
7.0.0,712,1,beta fitted to LC20 to be used with MGGAC,2,131215,3,True,True,True,True,False,6,6.594580848361439e-12,30
7.0.0,712,2,beta fitted to LC20 to be used with MGGAC,2,131215,3,True,True,True,True,False,15,4.956117768294396e-11,168
7.0.0,716,1,modified Becke-Roussel by Patra et al,4,196751,3,True,True,True,True,False,9,4.6028583138564003e-10,60
7.0.0,716,2,modified Becke-Roussel by Patra et al,4,196751,3,True,True,True,True,False,21,4.4808360107451214e-08,360
7.0.0,718,1,Deorbitalized re-regularized SCAN (r2SCAN-L) exchange,4,163983,8,True,True,True,True,False,9,2.2521731494949556e-10,60
7.0.0,718,2,Deorbitalized re-regularized SCAN (r2SCAN-L) exchange,4,163983,8,True,True,True,True,False,21,7.684540079788453e-08,360
7.0.0,719,1,Deorbitalized re-regularized SCAN (r2SCAN-L) correlation,4,163983,2,True,True,True,True,False,9,7.335447127959082e-11,60
7.0.0,719,2,Deorbitalized re-regularized SCAN (r2SCAN-L) correlation,4,163983,2,True,True,True,True,False,21,9.991722024042832e-10,360
7.0.0,720,1,Long-range corrected TM-LYP by Jana et al,64,197007,1,True,True,True,True,False,9,1.7844820774713754e-10,60
7.0.0,720,2,Long-range corrected TM-LYP by Jana et al,64,197007,1,True,True,True,True,False,21,8.148699256292017e-09,360
7.0.0,724,1,modified TASK exchange,4,196751,11,True,True,True,True,False,9,5.715035361178752e-10,60
7.0.0,724,2,modified TASK exchange,4,196751,11,True,True,True,True,False,21,6.257787779967368e-09,360
7.0.0,734,1,Functional for quasi-1D systems,2,131215,0,True,True,True,True,False,6,1.0285819187101456e-10,30
7.0.0,734,2,Functional for quasi-1D systems,2,131215,0,True,True,True,True,False,15,4.7343816374988286e-08,168
7.0.0,735,1,KTBM learned exchange - 0,4,196751,12,True,True,True,True,False,9,2.1810325129311103e-10,60
7.0.0,735,2,KTBM learned exchange - 0,4,196751,12,True,True,True,True,False,21,3.3355991130417255e-10,360
7.0.0,736,1,KTBM learned exchange - 1,4,196751,12,True,True,True,True,False,9,2.2155949402831187e-10,60
7.0.0,736,2,KTBM learned exchange - 1,4,196751,12,True,True,True,True,False,21,3.3294479567315115e-10,360
7.0.0,737,1,KTBM learned exchange - 2,4,196751,12,True,True,True,True,False,9,2.433343148594317e-10,60
7.0.0,737,2,KTBM learned exchange - 2,4,196751,12,True,True,True,True,False,21,3.3523128191571256e-10,360
7.0.0,738,1,KTBM learned exchange - 3,4,196751,12,True,True,True,True,False,9,3.520439485961691e-10,60
7.0.0,738,2,KTBM learned exchange - 3,4,196751,12,True,True,True,True,False,21,3.680681606130053e-10,360
7.0.0,739,1,KTBM learned exchange - 4,4,196751,12,True,True,True,True,False,9,3.690008630134147e-10,60
7.0.0,739,2,KTBM learned exchange - 4,4,196751,12,True,True,True,True,False,21,3.73278274262263e-10,360
7.0.0,740,1,KTBM learned exchange - 5,4,196751,12,True,True,True,True,False,9,1.755725509738627e-10,60
7.0.0,740,2,KTBM learned exchange - 5,4,196751,12,True,True,True,True,False,21,3.1024122234212836e-10,360
7.0.0,741,1,KTBM learned exchange - 6,4,196751,12,True,True,True,True,False,9,2.0145118566994913e-10,60
7.0.0,741,2,KTBM learned exchange - 6,4,196751,12,True,True,True,True,False,21,3.3391362584713273e-10,360
7.0.0,742,1,KTBM learned exchange - 7,4,196751,12,True,True,True,True,False,9,2.8391437788254644e-10,60
7.0.0,742,2,KTBM learned exchange - 7,4,196751,12,True,True,True,True,False,21,3.860473419680824e-10,360
7.0.0,743,1,KTBM learned exchange - 8,4,196751,12,True,True,True,True,False,9,3.7634431164227284e-10,60
7.0.0,743,2,KTBM learned exchange - 8,4,196751,12,True,True,True,True,False,21,4.008656980423024e-10,360
7.0.0,744,1,KTBM learned exchange - 9,4,196751,12,True,True,True,True,False,9,4.5007187347706124e-10,60
7.0.0,744,2,KTBM learned exchange - 9,4,196751,12,True,True,True,True,False,21,4.35972577482145e-10,360
7.0.0,745,1,KTBM learned exchange - 10,4,196751,12,True,True,True,True,False,9,2.2310218814142067e-10,60
7.0.0,745,2,KTBM learned exchange - 10,4,196751,12,True,True,True,True,False,21,3.725491693300034e-10,360
7.0.0,746,1,KTBM learned exchange - 11,4,196751,12,True,True,True,True,False,9,2.4676762081392826e-10,60
7.0.0,746,2,KTBM learned exchange - 11,4,196751,12,True,True,True,True,False,21,3.8814107383792746e-10,360
7.0.0,747,1,KTBM learned exchange - 12,4,196751,12,True,True,True,True,False,9,3.104392719283606e-10,60
7.0.0,747,2,KTBM learned exchange - 12,4,196751,12,True,True,True,True,False,21,4.2165286141049996e-10,360
7.0.0,748,1,KTBM learned exchange - 13,4,196751,12,True,True,True,True,False,9,3.986599391941551e-10,60
7.0.0,748,2,KTBM learned exchange - 13,4,196751,12,True,True,True,True,False,21,4.566210689970573e-10,360
7.0.0,749,1,KTBM learned exchange - 14,4,196751,12,True,True,True,True,False,9,4.666529604266484e-10,60
7.0.0,749,2,KTBM learned exchange - 14,4,196751,12,True,True,True,True,False,21,4.682635766535193e-10,360
7.0.0,750,1,KTBM learned exchange - 15,4,196751,12,True,True,True,True,False,9,2.3668090251841184e-10,60
7.0.0,750,2,KTBM learned exchange - 15,4,196751,12,True,True,True,True,False,21,4.101322412282901e-10,360
7.0.0,751,1,KTBM learned exchange - 16,4,196751,12,True,True,True,True,False,9,2.7099639299046e-10,60
7.0.0,751,2,KTBM learned exchange - 16,4,196751,12,True,True,True,True,False,21,4.319576576985405e-10,360
7.0.0,752,1,KTBM learned exchange - 17,4,196751,12,True,True,True,True,False,9,3.4214893300318695e-10,60
7.0.0,752,2,KTBM learned exchange - 17,4,196751,12,True,True,True,True,False,21,4.609368978313696e-10,360
7.0.0,753,1,KTBM learned exchange - 18,4,196751,12,True,True,True,True,False,9,4.1279556554953253e-10,60
7.0.0,753,2,KTBM learned exchange - 18,4,196751,12,True,True,True,True,False,21,4.747313038370881e-10,360
7.0.0,754,1,KTBM learned exchange - 19,4,196751,12,True,True,True,True,False,9,4.613691778101501e-10,60
7.0.0,754,2,KTBM learned exchange - 19,4,196751,12,True,True,True,True,False,21,4.736436924998412e-10,360
7.0.0,755,1,KTBM learned exchange - 20,4,196751,12,True,True,True,True,False,9,3.233550034357374e-10,60
7.0.0,755,2,KTBM learned exchange - 20,4,196751,12,True,True,True,True,False,21,4.640185088448555e-10,360
7.0.0,756,1,KTBM learned exchange - 21,4,196751,12,True,True,True,True,False,9,3.5723151900115285e-10,60
7.0.0,756,2,KTBM learned exchange - 21,4,196751,12,True,True,True,True,False,21,4.740210385381808e-10,360
7.0.0,757,1,KTBM learned exchange - 22,4,196751,12,True,True,True,True,False,9,3.8761425742696224e-10,60
7.0.0,757,2,KTBM learned exchange - 22,4,196751,12,True,True,True,True,False,21,4.805538573303424e-10,360
7.0.0,758,1,KTBM learned exchange - 23,4,196751,12,True,True,True,True,False,9,4.286437354106134e-10,60
7.0.0,758,2,KTBM learned exchange - 23,4,196751,12,True,True,True,True,False,21,4.784201376979113e-10,360
7.0.0,759,1,KTBM learned exchange - 24,4,196751,12,True,True,True,True,False,9,5.282718139489959e-10,60
7.0.0,759,2,KTBM learned exchange - 24,4,196751,12,True,True,True,True,False,21,4.90117989658737e-10,360
7.0.0,760,1,KTBM learned exchange - GAP,4,196751,12,True,True,True,True,False,9,8.702875758982113e-10,60
7.0.0,760,2,KTBM learned exchange - GAP,4,196751,12,True,True,True,True,False,21,8.785096733183496e-10,360
7.0.0,761,1,"MS-PBEl, a PBE-like meta-GGA exchange",4,196751,4,True,True,True,True,False,9,1.309526437946358e-09,60
7.0.0,761,2,"MS-PBEl, a PBE-like meta-GGA exchange",4,196751,4,True,True,True,True,False,21,2.1460817780216745e-09,360
7.0.0,762,1,regularized MS-PBEl,4,196751,4,True,True,True,True,False,9,1.309532899512922e-09,60
7.0.0,762,2,regularized MS-PBEl,4,196751,4,True,True,True,True,False,21,2.1458708398158193e-09,360
7.0.0,763,1,"MS-RPBEl, a RPBE-like meta-GGA exchange",4,196751,4,True,True,True,True,False,9,1.0717892732718973e-09,60
7.0.0,763,2,"MS-RPBEl, a RPBE-like meta-GGA exchange",4,196751,4,True,True,True,True,False,21,1.6905155870770118e-09,360
7.0.0,764,1,regularized MS-RPBEl,4,196751,4,True,True,True,True,False,9,1.0714053995473257e-09,60
7.0.0,764,2,regularized MS-RPBEl,4,196751,4,True,True,True,True,False,21,1.6903988460514173e-09,360
7.0.0,765,1,"MS-B86bl, a B86b-like meta-GGA exchange",4,196751,4,True,True,True,True,False,9,1.173133823954295e-09,60
7.0.0,765,2,"MS-B86bl, a B86b-like meta-GGA exchange",4,196751,4,True,True,True,True,False,21,1.8837593917005064e-09,360
7.0.0,766,1,regularized MS-B86bl,4,196751,4,True,True,True,True,False,9,1.1731534453092518e-09,60
7.0.0,766,2,regularized MS-B86bl,4,196751,4,True,True,True,True,False,21,1.8836866967007206e-09,360
7.0.0,100001,1,Combined analytical theory with Monte Carlo sampling,1,131215,3,True,True,True,True,False,3,2.127640133472314e-10,12
7.0.0,100001,2,Combined analytical theory with Monte Carlo sampling,1,131215,3,True,True,True,True,False,6,2.65901984945157e-10,30
7.1.2,1,1,Slater exchange,1,524423,0,True,True,True,False,False,3,1.003411833339441e-10,9
7.1.2,1,2,Slater exchange,1,524423,0,True,True,True,False,False,6,1.0584667571971626e-10,18
7.1.2,2,1,Wigner,1,524423,2,True,True,True,False,False,3,4.276526780725612e-12,9
7.1.2,2,2,Wigner,1,524423,2,True,True,True,False,False,6,8.359959447022211e-11,18
7.1.2,3,1,Random Phase Approximation (RPA),1,524423,0,True,True,True,False,False,3,1.0921308067933512e-11,9
7.1.2,3,2,Random Phase Approximation (RPA),1,524423,0,True,True,True,False,False,6,5.48828784522301e-12,18
7.1.2,4,1,Hedin & Lundqvist,1,524423,4,True,True,True,False,False,3,1.0442444393489147e-11,9
7.1.2,4,2,Hedin & Lundqvist,1,524423,4,True,True,True,False,False,6,5.1991977517815e-12,18
7.1.2,5,1,Gunnarsson & Lundqvist,1,524423,4,True,True,True,False,False,3,1.4205358016596315e-11,9
7.1.2,5,2,Gunnarsson & Lundqvist,1,524423,4,True,True,True,False,False,6,3.21096683782452e-11,18
7.1.2,6,1,Slater's Xalpha,1,524423,1,True,True,True,False,False,3,6.850467558818112e-11,9
7.1.2,6,2,Slater's Xalpha,1,524423,1,True,True,True,False,False,6,7.365943113826273e-11,18
7.1.2,7,1,"Vosko, Wilk & Nusair (VWN5)",1,524423,0,True,True,True,False,False,3,1.1402388522299763e-11,9
7.1.2,7,2,"Vosko, Wilk & Nusair (VWN5)",1,524423,0,True,True,True,False,False,6,5.112507418025157e-11,18
7.1.2,8,1,"Vosko, Wilk & Nusair (VWN5_RPA)",1,524423,0,True,True,True,False,False,3,1.2051741616218614e-11,9
7.1.2,8,2,"Vosko, Wilk & Nusair (VWN5_RPA)",1,524423,0,True,True,True,False,False,6,4.349668873338558e-11,18
7.1.2,9,1,Perdew & Zunger,1,524423,14,True,True,True,False,False,3,1.097197552727498e-11,9
7.1.2,9,2,Perdew & Zunger,1,524423,14,True,True,True,False,False,6,4.2940211702193035e-11,18
7.1.2,10,1,Perdew & Zunger (Modified),1,524423,14,True,True,True,False,False,3,1.097197552727498e-11,9
7.1.2,10,2,Perdew & Zunger (Modified),1,524423,14,True,True,True,False,False,6,4.2940211702193035e-11,18
7.1.2,11,1,Ortiz & Ballone (PZ parametrization),1,524423,14,True,True,True,False,False,3,9.570188412337177e-12,9
7.1.2,11,2,Ortiz & Ballone (PZ parametrization),1,524423,14,True,True,True,False,False,6,4.4552367749867434e-11,18
7.1.2,12,1,Perdew & Wang,1,524423,22,True,True,True,False,False,3,1.1417591688031561e-11,9
7.1.2,12,2,Perdew & Wang,1,524423,22,True,True,True,False,False,6,4.903848875168463e-11,18
7.1.2,13,1,Perdew & Wang (modified),1,524423,22,True,True,True,False,False,3,1.1332531564812789e-11,9
7.1.2,13,2,Perdew & Wang (modified),1,524423,22,True,True,True,False,False,6,4.918623787147087e-11,18
7.1.2,14,1,Ortiz & Ballone (PW parametrization),1,524423,22,True,True,True,False,False,3,1.1371622111763613e-11,9
7.1.2,14,2,Ortiz & Ballone (PW parametrization),1,524423,22,True,True,True,False,False,6,4.699459910593787e-11,18
7.1.2,15,1,AMGB (for 2D systems),1,524359,0,True,True,True,False,False,3,3.109177347345465e-11,9
7.1.2,15,2,AMGB (for 2D systems),1,524359,0,True,True,True,False,False,6,9.985255233004372e-11,18
7.1.2,16,1,PRM (for 2D systems),1,524359,1,True,True,True,False,False,3,2.425851394001183e-11,9
7.1.2,16,2,PRM (for 2D systems),1,524359,1,True,True,True,False,False,6,1.2302390301241841e-11,18
7.1.2,17,1,von Barth & Hedin,1,524423,4,True,True,True,False,False,3,1.1820726664072259e-11,9
7.1.2,17,2,von Barth & Hedin,1,524423,4,True,True,True,False,False,6,3.992602940758931e-11,18
7.1.2,18,1,"Casula, Sorella & Senatore",1,524327,2,True,True,True,False,False,3,3.7461001131526107e-10,9
7.1.2,18,2,"Casula, Sorella & Senatore",1,524327,2,True,True,True,False,False,6,3.112091868682711e-10,18
7.1.2,19,1,Slater exchange,1,524359,0,True,True,True,False,False,3,1.2376495268328408e-10,9
7.1.2,19,2,Slater exchange,1,524359,0,True,True,True,False,False,6,1.3315479519424647e-10,18
7.1.2,20,1,Teter 93,1,524423,0,True,True,True,False,False,3,9.971321826012383e-11,9
7.1.2,20,2,Teter 93,1,524423,0,True,True,True,False,False,6,9.220641180769425e-11,18
7.1.2,21,1,Exchange in 1D for an soft-Coulomb interaction,1,524327,1,True,True,True,False,False,3,1.5558499133321408e-10,9
7.1.2,21,2,Exchange in 1D for an soft-Coulomb interaction,1,524327,1,True,True,True,False,False,6,1.7706364251357845e-10,18
7.1.2,22,1,Modified LSD (version 1) of Proynov and Salahub,1,524423,2,True,True,True,False,False,3,1.3184813229467482e-11,9
7.1.2,22,2,Modified LSD (version 1) of Proynov and Salahub,1,524423,2,True,True,True,False,False,6,6.783085002737867e-11,18
7.1.2,23,1,Modified LSD (version 2) of Proynov and Salahub,1,524423,2,True,True,True,False,False,3,6.034993429351946e-12,9
7.1.2,23,2,Modified LSD (version 2) of Proynov and Salahub,1,524423,2,True,True,True,False,False,6,2.5349121755170445e-11,18
7.1.2,24,1,Gombas,1,524423,0,True,True,True,False,False,3,1.034904942350261e-11,9
7.1.2,24,2,Gombas,1,524423,0,True,True,True,False,False,6,5.14815318391402e-12,18
7.1.2,25,1,Perdew & Wang (fit to the RPA energy),1,524423,22,True,True,True,False,False,3,1.2219867541277345e-11,9
7.1.2,25,2,Perdew & Wang (fit to the RPA energy),1,524423,22,True,True,True,False,False,6,4.5249645765677324e-11,18
7.1.2,26,1,P-F Loos correlation LDA,1,524327,0,True,True,True,False,False,3,1.618638330058543e-11,9
7.1.2,26,2,P-F Loos correlation LDA,1,524327,0,True,True,True,False,False,6,7.983467645534562e-12,18
7.1.2,27,1,Ragot-Cortona,1,524423,0,True,True,True,False,False,3,1.1708122884451857e-11,9
7.1.2,27,2,Ragot-Cortona,1,524423,0,True,True,True,False,False,6,3.632231129492173e-11,18
7.1.2,28,1,"Vosko, Wilk & Nusair (VWN1)",1,524423,0,True,True,True,False,False,3,1.1402388522299763e-11,9
7.1.2,28,2,"Vosko, Wilk & Nusair (VWN1)",1,524423,0,True,True,True,False,False,6,4.3786806205584086e-11,18
7.1.2,29,1,"Vosko, Wilk & Nusair (VWN2)",1,524423,0,True,True,True,False,False,3,1.1402388522299763e-11,9
7.1.2,29,2,"Vosko, Wilk & Nusair (VWN2)",1,524423,0,True,True,True,False,False,6,5.1550486176874895e-11,18
7.1.2,30,1,"Vosko, Wilk & Nusair (VWN3)",1,524423,0,True,True,True,False,False,3,1.1402388522299763e-11,9
7.1.2,30,2,"Vosko, Wilk & Nusair (VWN3)",1,524423,0,True,True,True,False,False,6,5.190627949044951e-11,18
7.1.2,31,1,"Vosko, Wilk & Nusair (VWN4)",1,524423,0,True,True,True,False,False,3,1.1402388522299763e-11,9
7.1.2,31,2,"Vosko, Wilk & Nusair (VWN4)",1,524423,0,True,True,True,False,False,6,5.1983872147982886e-11,18
7.1.2,32,1,Minnesota GAM exhange functional,2,524423,16,True,True,True,False,False,6,1.0469577105461944e-10,18
7.1.2,32,2,Minnesota GAM exhange functional,2,524423,16,True,True,True,False,False,15,6.551879800094228e-09,63
7.1.2,33,1,Minnesota GAM correlation functional,2,540807,10,True,True,True,False,False,6,1.7364975702226493e-08,18
7.1.2,33,2,Minnesota GAM correlation functional,2,540807,10,True,True,True,False,False,15,1.7889702891158846e-07,63
7.1.2,34,1,HCTH-A,2,524423,5,True,True,True,False,False,6,4.562142579399078e-10,18
7.1.2,34,2,HCTH-A,2,524423,5,True,True,True,False,False,15,4.5574911812541154e-08,63
7.1.2,35,1,Engel and Vosko,2,524423,6,True,True,True,False,False,6,1.0447489122818e-10,18
7.1.2,35,2,Engel and Vosko,2,524423,6,True,True,True,False,False,15,1.1966912196389983e-08,63
7.1.2,36,1,Dispersionless Density Functional,64,589959,0,True,True,True,False,False,9,2.5233576423141757e-10,30
7.1.2,36,2,Dispersionless Density Functional,64,589959,0,True,True,True,False,False,21,4.0562000794476987e-10,108
7.1.2,37,1,Dispersionless Density Functional,4,589959,13,True,True,True,False,False,9,1.0856808040158251e-09,30
7.1.2,37,2,Dispersionless Density Functional,4,589959,13,True,True,True,False,False,21,4.2453701160863825e-07,108
7.1.2,38,1,"Burke, Cancio, Gould, and Pittalis",2,524423,2,True,True,True,False,False,6,1.068558068940554e-10,18
7.1.2,38,2,"Burke, Cancio, Gould, and Pittalis",2,524423,2,True,True,True,False,False,15,5.00667865643598e-10,63
7.1.2,39,1,"acGGA, asymptotically corrected GGA correlation",2,524423,0,True,True,True,False,False,6,5.091554346828444e-11,18
7.1.2,39,2,"acGGA, asymptotically corrected GGA correlation",2,524423,0,True,True,True,False,False,15,1.969643669201758e-10,63
7.1.2,40,1,lambda_OC2(N) version of PBE,2,524423,3,True,True,True,False,False,6,1.0602558186056298e-10,18
7.1.2,40,2,lambda_OC2(N) version of PBE,2,524423,3,True,True,True,False,False,15,6.861967612281569e-10,63
7.1.2,41,1,Revised Becke 86 with modified gradient correction,2,524423,3,True,True,True,False,False,6,1.033737352574042e-10,18
7.1.2,41,2,Revised Becke 86 with modified gradient correction,2,524423,3,True,True,True,False,False,15,1.0921391342176976e-10,63
7.1.2,42,1,"Zhao, Levy & Parr, Eq. (21)",4,557191,0,True,True,True,False,False,9,1.0848191631894557e-10,30
7.1.2,42,2,"Zhao, Levy & Parr, Eq. (21)",4,557191,0,True,True,True,False,False,21,6.955486931388439e-11,108
7.1.2,43,1,"Zhao, Levy & Parr, Eq. (20)",1,524423,0,True,True,True,False,False,3,1.0862770211519792e-10,9
7.1.2,43,2,"Zhao, Levy & Parr, Eq. (20)",1,524423,0,True,True,True,False,False,6,5.374308275761277e-11,18
7.1.2,44,1,lambda_CH(N) version of PBE,2,524423,3,True,True,True,False,False,6,1.0611417494915784e-10,18
7.1.2,44,2,lambda_CH(N) version of PBE,2,524423,3,True,True,True,False,False,15,4.22269034001415e-10,63
7.1.2,45,1,lambda_LO(N) version of PBE,2,524423,3,True,True,True,False,False,6,1.0590345995516165e-10,18
7.1.2,45,2,lambda_LO(N) version of PBE,2,524423,3,True,True,True,False,False,15,3.7713429595121994e-10,63
7.1.2,46,1,HJS screened exchange B88 corrected version,2,524423,16,True,True,True,False,False,6,1.1056957127576495e-10,18
7.1.2,46,2,HJS screened exchange B88 corrected version,2,524423,16,True,True,True,False,False,15,2.705852749139476e-09,63
7.1.2,47,1,Chiodo et al,2,524423,0,True,True,True,False,False,6,1.452373089979339e-11,18
7.1.2,47,2,Chiodo et al,2,524423,0,True,True,True,False,False,15,5.761758821241914e-11,63
7.1.2,48,1,Chiodo et al,2,524423,0,True,True,True,False,False,6,1.0345073212206915e-10,18
7.1.2,48,2,Chiodo et al,2,524423,0,True,True,True,False,False,15,3.142391099278262e-10,63
7.1.2,49,1,"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",2,524423,2,True,True,True,False,False,6,1.0761763679817011e-10,18
7.1.2,49,2,"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",2,524423,2,True,True,True,False,False,15,6.29962252149194e-10,63
7.1.2,50,1,Thomas-Fermi kinetic energy,1,524423,0,True,True,True,False,False,3,1.4315414619640253e-10,9
7.1.2,50,2,Thomas-Fermi kinetic energy,1,524423,0,True,True,True,False,False,6,1.5155756260088325e-10,18
7.1.2,51,1,Lee and Parr Gaussian ansatz for the kinetic energy,1,524423,0,True,True,True,False,False,3,1.4462078144181732e-10,9
7.1.2,51,2,Lee and Parr Gaussian ansatz for the kinetic energy,1,524423,0,True,True,True,False,False,6,1.5188498618536026e-10,18
7.1.2,52,1,Thomas-Fermi plus von Weiszaecker correction,2,524423,2,True,True,True,False,False,6,1.7389668551061852e-10,18
7.1.2,52,2,Thomas-Fermi plus von Weiszaecker correction,2,524423,2,True,True,True,False,False,15,3.635344593021078e-10,63
7.1.2,53,1,interpolated version of revAPBE,2,524423,0,True,True,True,False,False,6,1.468913628038388e-10,18
7.1.2,53,2,interpolated version of revAPBE,2,524423,0,True,True,True,False,False,15,2.7462488147579333e-09,63
7.1.2,54,1,interpolated version of APBE,2,524423,0,True,True,True,False,False,6,1.4652773829891563e-10,18
7.1.2,54,2,interpolated version of APBE,2,524423,0,True,True,True,False,False,15,2.8213760242000287e-09,63
7.1.2,55,1,revised APBE,2,524423,0,True,True,True,False,False,6,1.4778339896996829e-10,18
7.1.2,55,2,revised APBE,2,524423,0,True,True,True,False,False,15,2.0679009779368837e-10,63
7.1.2,56,1,Armiento & Kuemmel 2013,2,524423,2,True,True,True,False,False,6,9.811383949332916e-10,18
7.1.2,56,2,Armiento & Kuemmel 2013,2,524423,2,True,True,True,False,False,15,2.066592661996844e-08,63
7.1.2,57,1,"Meyer,  Wang, and Young",2,524423,0,True,True,True,False,False,6,5.55940118779539e-10,18
7.1.2,57,2,"Meyer,  Wang, and Young",2,524423,0,True,True,True,False,False,15,1.0335015907948848e-09,63
7.1.2,58,1,Berland and Hyldgaard,2,524423,0,True,True,True,False,False,6,1.0272351737666419e-10,18
7.1.2,58,2,Berland and Hyldgaard,2,524423,0,True,True,True,False,False,15,1.0809963538572985e-10,63
7.1.2,59,1,PBE revised by Tognetti et al,2,524423,2,True,True,True,False,False,6,1.0624987242426351e-10,18
7.1.2,59,2,PBE revised by Tognetti et al,2,524423,2,True,True,True,False,False,15,1.6595828322986515e-10,63
7.1.2,60,1,PBE for hybrid interfaces,2,524423,4,True,True,True,False,False,6,1.0349970262310973e-10,18
7.1.2,60,2,PBE for hybrid interfaces,2,524423,4,True,True,True,False,False,15,1.9643831162833594e-10,63
7.1.2,61,1,spin-dependent gradient correction to PBEint,2,524423,0,True,True,True,False,False,6,5.595526463476086e-12,18
7.1.2,61,2,spin-dependent gradient correction to PBEint,2,524423,0,True,True,True,False,False,15,4.9184036658696945e-11,63
7.1.2,62,1,PBE for hybrid interfaces,2,524423,4,True,True,True,False,False,6,5.595526463476086e-12,18
7.1.2,62,2,PBE for hybrid interfaces,2,524423,4,True,True,True,False,False,15,4.909631132659212e-11,63
7.1.2,63,1,spin-dependent gradient correction to PBEsol,2,524423,0,True,True,True,False,False,6,4.280737677575561e-12,18
7.1.2,63,2,spin-dependent gradient correction to PBEsol,2,524423,0,True,True,True,False,False,15,4.9191172316098914e-11,63
7.1.2,64,1,oTPSS-D functional of Goerigk and Grimme,4,589959,0,True,True,True,False,False,9,8.885602770245949e-11,30
7.1.2,64,2,oTPSS-D functional of Goerigk and Grimme,4,589959,0,True,True,True,False,False,21,9.4322310888403e-09,108
7.1.2,65,1,oPBE-D functional of Goerigk and Grimme,2,524423,0,True,True,True,False,False,6,1.0165487316278535e-10,18
7.1.2,65,2,oPBE-D functional of Goerigk and Grimme,2,524423,0,True,True,True,False,False,15,1.7174986791928966e-10,63
7.1.2,66,1,oPWLYP-D functional of Goerigk and Grimme,2,524423,0,True,True,True,False,False,6,3.0853166553074956e-09,18
7.1.2,66,2,oPWLYP-D functional of Goerigk and Grimme,2,524423,0,True,True,True,False,False,15,3.187623391268252e-08,63
7.1.2,67,1,oBLYP-D functional of Goerigk and Grimme,2,524423,0,True,True,True,False,False,6,1.057745918245838e-10,18
7.1.2,67,2,oBLYP-D functional of Goerigk and Grimme,2,524423,0,True,True,True,False,False,15,6.798883641918332e-09,63
7.1.2,68,1,"VMT{8,4} with constraint satisfaction with mu = mu_GE",2,524423,0,True,True,True,False,False,6,1.0382199611672457e-10,18
7.1.2,68,2,"VMT{8,4} with constraint satisfaction with mu = mu_GE",2,524423,0,True,True,True,False,False,15,1.0926092893846895e-10,63
7.1.2,69,1,"VMT{8,4} with constraint satisfaction with mu = mu_PBE",2,524423,0,True,True,True,False,False,6,1.0556245955050952e-10,18
7.1.2,69,2,"VMT{8,4} with constraint satisfaction with mu = mu_PBE",2,524423,0,True,True,True,False,False,15,2.412396683279107e-10,63
7.1.2,70,1,"Vela, Medel, and Trickey with mu = mu_GE",2,524423,0,True,True,True,False,False,6,1.0347162683704796e-10,18
7.1.2,70,2,"Vela, Medel, and Trickey with mu = mu_GE",2,524423,0,True,True,True,False,False,15,1.0952569681759529e-10,63
7.1.2,71,1,"Vela, Medel, and Trickey with mu = mu_PBE",2,524423,0,True,True,True,False,False,6,1.0612485594665726e-10,18
7.1.2,71,2,"Vela, Medel, and Trickey with mu = mu_PBE",2,524423,0,True,True,True,False,False,15,2.486333778707149e-10,63
7.1.2,72,1,Colle and Salvetti,4,622727,0,True,True,True,False,False,12,2.1527166857172654e-11,45
7.1.2,72,2,Colle and Salvetti,4,622727,0,True,True,True,False,False,27,1.5563815287948336e-10,165
7.1.2,73,1,Minnesota MN12-SX correlation functional,4,589959,24,True,True,True,False,False,9,4.1723265036034245e-09,30
7.1.2,73,2,Minnesota MN12-SX correlation functional,4,589959,24,True,True,True,False,False,21,2.046652323276114e-09,108
7.1.2,74,1,Minnesota MN12-L correlation functional,4,589959,24,True,True,True,False,False,9,1.559232713116431e-09,30
7.1.2,74,2,Minnesota MN12-L correlation functional,4,589959,24,True,True,True,False,False,21,7.985896313497993e-10,108
7.1.2,75,1,Minnesota M11-L correlation functional,4,589959,24,True,True,True,False,False,9,3.968457977990969e-09,30
7.1.2,75,2,Minnesota M11-L correlation functional,4,589959,24,True,True,True,False,False,21,1.8294701749032213e-09,108
7.1.2,76,1,Minnesota M11 correlation functional,4,589959,24,True,True,True,False,False,9,3.3427957898651147e-09,30
7.1.2,76,2,Minnesota M11 correlation functional,4,589959,24,True,True,True,False,False,21,1.6023235870408e-09,108
7.1.2,77,1,Minnesota M08-SO correlation functional,4,589959,24,True,True,True,False,False,9,1.0303737539159885e-08,30
7.1.2,77,2,Minnesota M08-SO correlation functional,4,589959,24,True,True,True,False,False,21,4.801151620348118e-09,108
7.1.2,78,1,Minnesota M08 correlation functional,4,589959,24,True,True,True,False,False,9,7.735378899633147e-09,30
7.1.2,78,2,Minnesota M08 correlation functional,4,589959,24,True,True,True,False,False,21,3.635731815540584e-09,108
7.1.2,79,1,Minnesota N12-SX correlation functional,2,524423,10,True,True,True,False,False,6,6.418964534890617e-09,18
7.1.2,79,2,Minnesota N12-SX correlation functional,2,524423,10,True,True,True,False,False,15,6.974887338645275e-08,63
7.1.2,80,1,Minnesota N12 correlation functional,2,524423,10,True,True,True,False,False,6,7.401760136416395e-08,18
7.1.2,80,2,Minnesota N12 correlation functional,2,524423,10,True,True,True,False,False,15,1.3977232578758655e-06,63
7.1.2,81,1,Minnesota N12-SX exchange functional,32,524679,18,True,True,True,False,False,6,9.411657431960679e-11,18
7.1.2,81,2,Minnesota N12-SX exchange functional,32,524679,18,True,True,True,False,False,15,1.584993130319829e-10,63
7.1.2,82,1,Minnesota N12 exchange functional,2,524423,16,True,True,True,False,False,6,9.715559937676221e-11,18
7.1.2,82,2,Minnesota N12 exchange functional,2,524423,16,True,True,True,False,False,15,9.285557155415963e-09,63
7.1.2,83,1,regularized TPSS correlation,2,524423,0,True,True,True,False,False,6,1.0001665650131077e-11,18
7.1.2,83,2,regularized TPSS correlation,2,524423,0,True,True,True,False,False,15,4.905047932979493e-11,63
7.1.2,84,1,one-parameter progressive functional (Xalpha version),2,524423,0,True,True,True,False,False,6,8.280674726243738e-12,18
7.1.2,84,2,one-parameter progressive functional (Xalpha version),2,524423,0,True,True,True,False,False,15,4.625582829501797e-11,63
7.1.2,85,1,one-parameter progressive functional (G96 version),2,524423,0,True,True,True,False,False,6,1.1517111650589845e-09,18
7.1.2,85,2,one-parameter progressive functional (G96 version),2,524423,0,True,True,True,False,False,15,3.1736391026789584e-08,63
7.1.2,86,1,one-parameter progressive functional (PBE version),2,524423,0,True,True,True,False,False,6,6.265277699409073e-12,18
7.1.2,86,2,one-parameter progressive functional (PBE version),2,524423,0,True,True,True,False,False,15,1.21081123609188e-09,63
7.1.2,87,1,one-parameter progressive functional (B88 version),2,524423,0,True,True,True,False,False,6,4.237785172365063e-11,18
7.1.2,87,2,one-parameter progressive functional (B88 version),2,524423,0,True,True,True,False,False,15,7.335627925876413e-09,63
7.1.2,88,1,Filatov & Thiel correlation,2,524423,0,True,True,True,False,False,6,4.639207751282485e-09,18
7.1.2,88,2,Filatov & Thiel correlation,2,524423,0,True,True,True,False,False,15,1.5333607669944957e-06,63
7.1.2,89,1,PBE correlation to be used with the SSB exchange,2,524423,4,True,True,True,False,False,6,3.198744839199496e-11,18
7.1.2,89,2,PBE correlation to be used with the SSB exchange,2,524423,4,True,True,True,False,False,15,1.4029102346298771e-10,63
7.1.2,90,1,"Swart, Sola and Bickelhaupt correction to PBE",2,524423,5,True,True,True,False,False,6,1.0270180091109368e-10,18
7.1.2,90,2,"Swart, Sola and Bickelhaupt correction to PBE",2,524423,5,True,True,True,False,False,15,3.1438589887971624e-08,63
7.1.2,91,1,"Swart, Sola and Bickelhaupt",2,524423,8,True,True,True,False,False,6,1.425255095907118e-10,18
7.1.2,91,2,"Swart, Sola and Bickelhaupt",2,524423,8,True,True,True,False,False,15,3.8678530090192546e-08,63
7.1.2,92,1,"Swart, Sola and Bickelhaupt dispersion",2,524423,8,True,True,True,False,False,6,1.6463181430505643e-10,18
7.1.2,92,2,"Swart, Sola and Bickelhaupt dispersion",2,524423,8,True,True,True,False,False,15,4.476522387366998e-08,63
7.1.2,93,1,HCTH/407+,2,524423,15,True,True,True,False,False,6,1.6042434097728625e-08,18
7.1.2,93,2,HCTH/407+,2,524423,15,True,True,True,False,False,15,5.4565468675859754e-08,63
7.1.2,94,1,HCTH p=7/6,2,524423,15,True,True,True,False,False,6,9.751109449054656e-10,18
7.1.2,94,2,HCTH p=7/6,2,524423,15,True,True,True,False,False,15,2.121672793223427e-07,63
7.1.2,95,1,HCTH p=1/4,2,524423,15,True,True,True,False,False,6,7.617161521139151e-09,18
7.1.2,95,2,HCTH p=1/4,2,524423,15,True,True,True,False,False,15,2.7761609866488264e-07,63
7.1.2,96,1,Becke 97 GGA-1,2,524423,15,True,True,True,False,False,6,1.1442336713086476e-08,18
7.1.2,96,2,Becke 97 GGA-1,2,524423,15,True,True,True,False,False,15,4.2668766012194887e-07,63
7.1.2,97,1,HCTH-A,2,524423,0,True,True,True,False,False,6,3.7183838264755754e-09,18
7.1.2,97,2,HCTH-A,2,524423,0,True,True,True,False,False,15,5.113896474724862e-08,63
7.1.2,98,1,BPCCAC (GRAC for the energy),2,524423,0,True,True,True,False,False,6,1.063552739208738e-10,18
7.1.2,98,2,BPCCAC (GRAC for the energy),2,524423,0,True,True,True,False,False,15,1.6660913705633663e-10,63
7.1.2,99,1,"Tognetti, Cortona, Adamo (revised)",2,524423,0,True,True,True,False,False,6,6.368956630333328e-10,18
7.1.2,99,2,"Tognetti, Cortona, Adamo (revised)",2,524423,0,True,True,True,False,False,15,2.1892767919876105e-09,63
7.1.2,100,1,"Tognetti, Cortona, Adamo",2,524423,0,True,True,True,False,False,6,6.368956630333328e-10,18
7.1.2,100,2,"Tognetti, Cortona, Adamo",2,524423,0,True,True,True,False,False,15,2.2803056395369525e-09,63
7.1.2,101,1,"Perdew, Burke & Ernzerhof",2,524423,2,True,True,True,False,False,6,1.058759347169208e-10,18
7.1.2,101,2,"Perdew, Burke & Ernzerhof",2,524423,2,True,True,True,False,False,15,3.782667275846859e-10,63
7.1.2,102,1,Revised PBE from Zhang & Yang,2,524423,2,True,True,True,False,False,6,1.0614401177451171e-10,18
7.1.2,102,2,Revised PBE from Zhang & Yang,2,524423,2,True,True,True,False,False,15,1.5963459582379663e-10,63
7.1.2,103,1,Becke 86,2,524423,3,True,True,True,False,False,6,1.0620431337057081e-10,18
7.1.2,103,2,Becke 86,2,524423,3,True,True,True,False,False,15,3.069110099738654e-10,63
7.1.2,104,1,Becke's original half-and-half functional: 50% HF and 50% LDA xc,128,524423,1,True,True,True,False,False,3,6.97353669781725e-11,9
7.1.2,104,2,Becke's original half-and-half functional: 50% HF and 50% LDA xc,128,524423,1,True,True,True,False,False,6,6.435435396214953e-11,18
7.1.2,105,1,Becke 86 with modified gradient correction,2,524423,3,True,True,True,False,False,6,1.067371285351465e-10,18
7.1.2,105,2,Becke 86 with modified gradient correction,2,524423,3,True,True,True,False,False,15,6.582811007902189e-10,63
7.1.2,106,1,Becke 88,2,524423,2,True,True,True,False,False,6,1.0665798430088767e-10,18
7.1.2,106,2,Becke 88,2,524423,2,True,True,True,False,False,15,6.601623441674868e-09,63
7.1.2,107,1,Gill 96,2,524423,0,True,True,True,False,False,6,2.722944501507934e-09,18
7.1.2,107,2,Gill 96,2,524423,0,True,True,True,False,False,15,3.527012329435899e-08,63
7.1.2,108,1,Perdew & Wang 86,2,524423,3,True,True,True,False,False,6,1.0863509582416115e-10,18
7.1.2,108,2,Perdew & Wang 86,2,524423,3,True,True,True,False,False,15,4.0834815455335913e-08,63
7.1.2,109,1,Perdew & Wang 91,2,524423,7,True,True,True,False,False,6,2.266500468169259e-09,18
7.1.2,109,2,Perdew & Wang 91,2,524423,7,True,True,True,False,False,15,1.0703923530963152e-08,63
7.1.2,110,1,Handy & Cohen OPTX 01,2,524423,3,True,True,True,False,False,6,1.0325984364270674e-10,18
7.1.2,110,2,Handy & Cohen OPTX 01,2,524423,3,True,True,True,False,False,15,6.6513263013952015e-09,63
7.1.2,111,1,dePristo & Kress 87 version R1,2,524423,3,True,True,True,False,False,6,1.069703428891077e-09,18
7.1.2,111,2,dePristo & Kress 87 version R1,2,524423,3,True,True,True,False,False,15,2.8332794648770146e-08,63
7.1.2,112,1,dePristo & Kress 87 version R2,2,524423,3,True,True,True,False,False,6,1.0585859849486866e-09,18
7.1.2,112,2,dePristo & Kress 87 version R2,2,524423,3,True,True,True,False,False,15,2.7998062866722033e-08,63
7.1.2,113,1,Lacks & Gordon 93,2,524423,0,True,True,True,False,False,6,1.3420941743342391e-10,18
7.1.2,113,2,Lacks & Gordon 93,2,524423,0,True,True,True,False,False,15,2.5783197852633483e-09,63
7.1.2,114,1,Filatov & Thiel 97 (version A),2,524423,3,True,True,True,False,False,6,1.0552714045387974e-10,18
7.1.2,114,2,Filatov & Thiel 97 (version A),2,524423,3,True,True,True,False,False,15,3.355265928555871e-10,63
7.1.2,115,1,Filatov & Thiel 97 (version B),2,524423,3,True,True,True,False,False,6,1.0533056539089017e-10,18
7.1.2,115,2,Filatov & Thiel 97 (version B),2,524423,3,True,True,True,False,False,15,3.345805596899069e-10,63
7.1.2,116,1,"Perdew, Burke & Ernzerhof SOL",2,524423,2,True,True,True,False,False,6,1.0351216759449222e-10,18
7.1.2,116,2,"Perdew, Burke & Ernzerhof SOL",2,524423,2,True,True,True,False,False,15,1.0931631194397035e-10,63
7.1.2,117,1,"Hammer, Hansen, and Norskov",2,524423,2,True,True,True,False,False,6,1.0581673874965626e-10,18
7.1.2,117,2,"Hammer, Hansen, and Norskov",2,524423,2,True,True,True,False,False,15,1.2920300847065608e-10,63
7.1.2,118,1,Wu & Cohen,2,524423,0,True,True,True,False,False,6,1.0568973042176254e-10,18
7.1.2,118,2,Wu & Cohen,2,524423,0,True,True,True,False,False,15,2.3518055707461193e-09,63
7.1.2,119,1,mPW91 of Adamo & Barone,2,524423,3,True,True,True,False,False,6,2.304233651271642e-09,18
7.1.2,119,2,mPW91 of Adamo & Barone,2,524423,3,True,True,True,False,False,15,1.0933311582124946e-08,63
7.1.2,120,1,Armiento & Mattsson 05,2,524423,2,True,True,True,False,False,6,1.000153461124323e-10,18
7.1.2,120,2,Armiento & Mattsson 05,2,524423,2,True,True,True,False,False,15,1.7145361206577745e-09,63
7.1.2,121,1,Madsen 07,2,524423,0,True,True,True,False,False,6,1.0595942600000541e-10,18
7.1.2,121,2,Madsen 07,2,524423,0,True,True,True,False,False,15,8.443361126330279e-10,63
7.1.2,122,1,Adamo & Barone modification to PBE,2,524423,0,True,True,True,False,False,6,1.0609375854146579e-10,18
7.1.2,122,2,Adamo & Barone modification to PBE,2,524423,0,True,True,True,False,False,15,2.421211595138469e-10,63
7.1.2,123,1,Extended PBE by Xu & Goddard III,2,524423,2,True,True,True,False,False,6,1.0656385018312233e-10,18
7.1.2,123,2,Extended PBE by Xu & Goddard III,2,524423,2,True,True,True,False,False,15,3.277125335429028e-10,63
7.1.2,124,1,Becke 86 with modified gradient correction for 2D,2,524359,0,True,True,True,False,False,6,1.3273421861111983e-10,18
7.1.2,124,2,Becke 86 with modified gradient correction for 2D,2,524359,0,True,True,True,False,False,15,1.1751730105996517e-08,63
7.1.2,125,1,Bayesian best fit for the enhancement factor,2,524423,0,True,True,True,False,False,6,1.6131897157209716e-10,18
7.1.2,125,2,Bayesian best fit for the enhancement factor,2,524423,0,True,True,True,False,False,15,7.794832509696169e-09,63
7.1.2,126,1,"Reparametrized PBE by Pedroza, Silva & Capelle",2,524423,2,True,True,True,False,False,6,1.0434393491005003e-10,18
7.1.2,126,2,"Reparametrized PBE by Pedroza, Silva & Capelle",2,524423,2,True,True,True,False,False,15,1.5266539708598483e-10,63
7.1.2,127,1,Becke 88 in 2D,2,524359,0,True,True,True,False,False,6,1.4406415170206506e-09,18
7.1.2,127,2,Becke 88 in 2D,2,524359,0,True,True,True,False,False,15,5.9395316179093084e-08,63
7.1.2,128,1,Becke 86 in 2D,2,524359,0,True,True,True,False,False,6,1.324285163892341e-10,18
7.1.2,128,2,Becke 86 in 2D,2,524359,0,True,True,True,False,False,15,2.137841591637183e-10,63
7.1.2,129,1,"Perdew, Burke & Ernzerhof in 2D",2,524359,0,True,True,True,False,False,6,2.928508686126294e-10,18
7.1.2,129,2,"Perdew, Burke & Ernzerhof in 2D",2,524359,0,True,True,True,False,False,15,5.734360044566646e-08,63
7.1.2,130,1,"Perdew, Burke & Ernzerhof",2,524423,4,True,True,True,False,False,6,1.326286373963211e-11,18
7.1.2,130,2,"Perdew, Burke & Ernzerhof",2,524423,4,True,True,True,False,False,15,5.700033216286808e-11,63
7.1.2,131,1,"Lee, Yang & Parr",2,524423,4,True,True,True,False,False,6,7.613906855030903e-12,18
7.1.2,131,2,"Lee, Yang & Parr",2,524423,4,True,True,True,False,False,15,1.1254129285640783e-10,63
7.1.2,132,1,Perdew 86,2,524423,7,True,True,True,False,False,6,2.5885335051091175e-10,18
7.1.2,132,2,Perdew 86,2,524423,7,True,True,True,False,False,15,9.265527435396199e-10,63
7.1.2,133,1,"Perdew, Burke & Ernzerhof SOL",2,524423,4,True,True,True,False,False,6,4.2807254327624695e-12,18
7.1.2,133,2,"Perdew, Burke & Ernzerhof SOL",2,524423,4,True,True,True,False,False,15,4.9095154744251e-11,63
7.1.2,134,1,Perdew & Wang 91,2,524423,0,True,True,True,False,False,6,5.735143801329993e-10,18
7.1.2,134,2,Perdew & Wang 91,2,524423,0,True,True,True,False,False,15,1.773477798546289e-09,63
7.1.2,135,1,Armiento & Mattsson 05,2,524423,2,True,True,True,False,False,6,4.958694218820004e-11,18
7.1.2,135,2,Armiento & Mattsson 05,2,524423,2,True,True,True,False,False,15,1.4997963217529917e-08,63
7.1.2,136,1,Extended PBE by Xu & Goddard III,2,524423,4,True,True,True,False,False,6,7.33748871388042e-11,18
7.1.2,136,2,Extended PBE by Xu & Goddard III,2,524423,4,True,True,True,False,False,15,3.0116275772231663e-10,63
7.1.2,137,1,Langreth & Mehl,2,524423,1,True,True,True,False,False,6,4.094633789793529e-10,18
7.1.2,137,2,Langreth & Mehl,2,524423,1,True,True,True,False,False,15,1.2682386023242935e-09,63
7.1.2,138,1,"Reparametrized PBE by Pedroza, Silva & Capelle",2,524423,4,True,True,True,False,False,6,5.4875762390659294e-12,18
7.1.2,138,2,"Reparametrized PBE by Pedroza, Silva & Capelle",2,524423,4,True,True,True,False,False,15,4.926006824390076e-11,63
7.1.2,139,1,opt-Becke 88 for vdW,2,524423,2,True,True,True,False,False,6,1.0579166245098659e-10,18
7.1.2,139,2,opt-Becke 88 for vdW,2,524423,2,True,True,True,False,False,15,5.616814214894833e-09,63
7.1.2,140,1,Reparametrized PBE for vdW,2,524423,2,True,True,True,False,False,6,1.0598196843125947e-10,18
7.1.2,140,2,Reparametrized PBE for vdW,2,524423,2,True,True,True,False,False,15,2.4245214432855745e-10,63
7.1.2,141,1,Reparametrized PBE for vdW,2,524423,0,True,True,True,False,False,6,1.0483671551425539e-10,18
7.1.2,141,2,Reparametrized PBE for vdW,2,524423,0,True,True,True,False,False,15,1.2602446780982731e-10,63
7.1.2,142,1,Regularized PBE,2,524423,0,True,True,True,False,False,6,1.0384237013701008e-10,18
7.1.2,142,2,Regularized PBE,2,524423,0,True,True,True,False,False,15,1.1154022962518141e-10,63
7.1.2,143,1,Regularized PBE,2,524423,4,True,True,True,False,False,6,8.408129573575786e-12,18
7.1.2,143,2,Regularized PBE,2,524423,4,True,True,True,False,False,15,4.91207072241052e-11,63
7.1.2,144,1,Refitted Perdew & Wang 86,2,524423,3,True,True,True,False,False,6,1.5553813963855663e-10,18
7.1.2,144,2,Refitted Perdew & Wang 86,2,524423,3,True,True,True,False,False,15,4.556740598958955e-08,63
7.1.2,145,1,Exchange part of Keal and Tozer version 1,2,524423,2,True,True,True,False,False,6,1.0012006419455579e-10,18
7.1.2,145,2,Exchange part of Keal and Tozer version 1,2,524423,2,True,True,True,False,False,15,1.0596093030634815e-10,63
7.1.2,146,1,"Keal and Tozer, version 2",2,524423,0,True,True,True,False,False,6,1.0306376208023462e-10,18
7.1.2,146,2,"Keal and Tozer, version 2",2,524423,0,True,True,True,False,False,15,1.0089993673454295e-10,63
7.1.2,147,1,Wilson & Levy,2,524423,0,True,True,True,False,False,6,2.2848881228749744e-08,18
7.1.2,147,2,Wilson & Levy,2,524423,0,True,True,True,False,False,15,1.8512443121023187e-07,63
7.1.2,148,1,Wilson & Ivanov,2,524423,5,True,True,True,False,False,6,8.012727111122492e-11,18
7.1.2,148,2,Wilson & Ivanov,2,524423,5,True,True,True,False,False,15,3.4030015313406347e-10,63
7.1.2,149,1,Modified Becke 88 for proton transfer,2,524423,2,True,True,True,False,False,6,1.0176071554037906e-10,18
7.1.2,149,2,Modified Becke 88 for proton transfer,2,524423,2,True,True,True,False,False,15,7.452834899217321e-10,63
7.1.2,150,1,Second-order generalized gradient approximation,2,524423,0,True,True,True,False,False,6,1.0350925986176981e-10,18
7.1.2,150,2,Second-order generalized gradient approximation,2,524423,0,True,True,True,False,False,15,1.1519984574966096e-10,63
7.1.2,151,1,Second-order generalized gradient approximation 2011,2,524423,14,True,True,True,False,False,6,1.0382944694584848e-10,18
7.1.2,151,2,Second-order generalized gradient approximation 2011,2,524423,14,True,True,True,False,False,15,1.445377133581149e-08,63
7.1.2,152,1,Second-order generalized gradient approximation 2011,2,524423,12,True,True,True,False,False,6,2.709354435875323e-09,18
7.1.2,152,2,Second-order generalized gradient approximation 2011,2,524423,12,True,True,True,False,False,15,1.4402351939994749e-08,63
7.1.2,153,1,Wilson & Ivanov initial version,2,524423,5,True,True,True,False,False,6,1.5135119020768724e-10,18
7.1.2,153,2,Wilson & Ivanov initial version,2,524423,5,True,True,True,False,False,15,6.47020067117589e-10,63
7.1.2,154,1,Tozer and Handy v. 1,2,524423,21,True,True,True,False,False,6,2.0384380750585905e-09,18
7.1.2,154,2,Tozer and Handy v. 1,2,524423,21,True,True,True,False,False,15,2.2501563844122736e-08,63
7.1.2,155,1,Tozer and Handy v. 2,2,524423,0,True,True,True,False,False,6,4.991919295184899e-09,18
7.1.2,155,2,Tozer and Handy v. 2,2,524423,0,True,True,True,False,False,15,5.585868542807948e-08,63
7.1.2,156,1,Tozer and Handy v. 3,2,524423,0,True,True,True,False,False,6,4.7475492479454306e-09,18
7.1.2,156,2,Tozer and Handy v. 3,2,524423,0,True,True,True,False,False,15,5.738982128698942e-08,63
7.1.2,157,1,Tozer and Handy v. 4,2,524423,0,True,True,True,False,False,6,4.355889543200617e-09,18
7.1.2,157,2,Tozer and Handy v. 4,2,524423,0,True,True,True,False,False,15,5.309751828811594e-08,63
7.1.2,158,1,C09x to be used with the VdW of Rutgers-Chalmers,2,524423,0,True,True,True,False,False,6,1.0266082558074251e-10,18
7.1.2,158,2,C09x to be used with the VdW of Rutgers-Chalmers,2,524423,0,True,True,True,False,False,15,1.0850095785403438e-10,63
7.1.2,159,1,To be used with HYB_GGA_X_SOGGA11_X,2,524423,12,True,True,True,False,False,6,2.433526937687459e-10,18
7.1.2,159,2,To be used with HYB_GGA_X_SOGGA11_X,2,524423,12,True,True,True,False,False,15,1.0732466571365474e-09,63
7.1.2,160,1,van Leeuwen & Baerends,2,524422,0,False,True,True,False,False,0,0,15
7.1.2,160,2,van Leeuwen & Baerends,2,524422,0,False,True,True,False,False,0,0,60
7.1.2,161,1,HCTH/93,2,524423,15,True,True,True,False,False,6,1.9681231643347846e-09,18
7.1.2,161,2,HCTH/93,2,524423,15,True,True,True,False,False,15,1.7154252839369803e-07,63
7.1.2,162,1,HCTH/120,2,524423,15,True,True,True,False,False,6,2.392151530795716e-10,18
7.1.2,162,2,HCTH/120,2,524423,15,True,True,True,False,False,15,1.38643768422771e-07,63
7.1.2,163,1,HCTH/147,2,524423,15,True,True,True,False,False,6,7.464554129477118e-09,18
7.1.2,163,2,HCTH/147,2,524423,15,True,True,True,False,False,15,2.3231117758540043e-07,63
7.1.2,164,1,HCTH/407,2,524423,15,True,True,True,False,False,6,1.7428487616071986e-08,18
7.1.2,164,2,HCTH/407,2,524423,15,True,True,True,False,False,15,5.79929875711268e-07,63
7.1.2,165,1,EDF1,2,524423,0,True,True,True,False,False,6,3.5929873764669516e-10,18
7.1.2,165,2,EDF1,2,524423,0,True,True,True,False,False,15,1.6920962361534362e-08,63
7.1.2,166,1,XLYP,2,524423,0,True,True,True,False,False,6,7.441855940849837e-10,18
7.1.2,166,2,XLYP,2,524423,0,True,True,True,False,False,15,8.787427563188585e-09,63
7.1.2,167,1,"Keal and Tozer, version 1",2,524423,0,True,True,True,False,False,6,9.970070327240475e-11,18
7.1.2,167,2,"Keal and Tozer, version 1",2,524423,0,True,True,True,False,False,15,9.209175220928588e-11,63
7.1.2,168,1,"lsPBE, a PW91-like modification of PBE exchange",2,524423,3,True,True,True,False,False,6,1.0622331612265964e-10,18
7.1.2,168,2,"lsPBE, a PW91-like modification of PBE exchange",2,524423,3,True,True,True,False,False,15,3.8649167472082974e-10,63
7.1.2,169,1,"lsRPBE, a PW91-like modification of RPBE",2,524423,3,True,True,True,False,False,6,1.0616895587854415e-10,18
7.1.2,169,2,"lsRPBE, a PW91-like modification of RPBE",2,524423,3,True,True,True,False,False,15,1.2840066742107037e-10,63
7.1.2,170,1,Becke 97-D,2,524423,15,True,True,True,False,False,6,1.2728942511881059e-08,18
7.1.2,170,2,Becke 97-D,2,524423,15,True,True,True,False,False,15,2.1384648825541698e-07,63
7.1.2,171,1,Becke 86 reoptimized for use with vdW functional of Dion et al,2,524423,3,True,True,True,False,False,6,1.0339025041441122e-10,18
7.1.2,171,2,Becke 86 reoptimized for use with vdW functional of Dion et al,2,524423,3,True,True,True,False,False,15,1.0955582442049088e-10,63
7.1.2,172,1,Revised Minnesota M11 correlation functional,4,589959,24,True,True,True,False,False,9,3.9718404136779905e-10,30
7.1.2,172,2,Revised Minnesota M11 correlation functional,4,589959,24,True,True,True,False,False,21,2.2275989670789009e-10,108
7.1.2,173,1,PBE1W,2,524423,0,True,True,True,False,False,6,1.0164619456043824e-10,18
7.1.2,173,2,PBE1W,2,524423,0,True,True,True,False,False,15,4.2399561974353194e-10,63
7.1.2,174,1,mPWLYP1w,2,524423,0,True,True,True,False,False,6,2.4037892183069212e-09,18
7.1.2,174,2,mPWLYP1w,2,524423,0,True,True,True,False,False,15,1.1759825591205824e-08,63
7.1.2,175,1,PBELYP1W,2,524423,0,True,True,True,False,False,6,1.0518975163601199e-10,18
7.1.2,175,2,PBELYP1W,2,524423,0,True,True,True,False,False,15,3.9746309306149854e-10,63
7.1.2,176,1,"acGGA+, asymptotically corrected GGA correlation+",2,524423,0,True,True,True,False,False,6,4.692915242514513e-11,18
7.1.2,176,2,"acGGA+, asymptotically corrected GGA correlation+",2,524423,0,True,True,True,False,False,15,1.7762422843415814e-10,63
7.1.2,177,1,LDA hybrid exchange (LDA0),128,524423,1,True,True,True,False,False,3,8.732313834761821e-11,9
7.1.2,177,2,LDA hybrid exchange (LDA0),128,524423,1,True,True,True,False,False,6,7.99678827850973e-11,18
7.1.2,178,1,CAM version of LDA0,128,524679,0,True,True,True,False,False,3,8.947120112304388e-11,9
7.1.2,178,2,CAM version of LDA0,128,524679,0,True,True,True,False,False,6,7.798065375474338e-11,18
7.1.2,179,1,Becke 88 reoptimized with the 6-311G** basis set,2,524423,2,True,True,True,False,False,6,1.2184982563470211e-10,18
7.1.2,179,2,Becke 88 reoptimized with the 6-311G** basis set,2,524423,2,True,True,True,False,False,15,8.872377675533559e-09,63
7.1.2,180,1,Nearly correct asymptotic potential,2,524423,4,True,True,True,False,False,6,1.0621867817265097e-10,18
7.1.2,180,2,Nearly correct asymptotic potential,2,524423,4,True,True,True,False,False,15,1.0846843516575196e-09,63
7.1.2,181,1,NCAP exchange + P86 correlation,2,524423,0,True,True,True,False,False,6,3.790226800481567e-10,18
7.1.2,181,2,NCAP exchange + P86 correlation,2,524423,0,True,True,True,False,False,15,1.3369259204284379e-09,63
7.1.2,182,1,van Leeuwen & Baerends modified,2,524422,0,False,True,True,False,False,0,0,15
7.1.2,182,2,van Leeuwen & Baerends modified,2,524422,0,False,True,True,False,False,0,0,60
7.1.2,183,1,Exchange form based on Ou-Yang and Levy v.2,2,524423,3,True,True,True,False,False,6,5.229301228897964e-08,18
7.1.2,183,2,Exchange form based on Ou-Yang and Levy v.2,2,524423,3,True,True,True,False,False,15,4.138281813300441e-07,63
7.1.2,184,1,mu fixed from the semiclassical neutral atom,2,524423,2,True,True,True,False,False,6,1.07321941296623e-10,18
7.1.2,184,2,mu fixed from the semiclassical neutral atom,2,524423,2,True,True,True,False,False,15,5.505473756430838e-10,63
7.1.2,185,1,mu fixed from the semiclassical neutral atom,2,524423,0,True,True,True,False,False,6,1.4805793873668464e-10,18
7.1.2,185,2,mu fixed from the semiclassical neutral atom,2,524423,0,True,True,True,False,False,15,4.844854977269284e-10,63
7.1.2,186,1,mu fixed from the semiclassical neutral atom,2,524423,4,True,True,True,False,False,6,2.007010092043658e-11,18
7.1.2,186,2,mu fixed from the semiclassical neutral atom,2,524423,4,True,True,True,False,False,15,8.416848985664826e-11,63
7.1.2,187,1,Tran and Wesolowski set 1 (Table II),2,524423,0,True,True,True,False,False,6,1.4765694764350817e-10,18
7.1.2,187,2,Tran and Wesolowski set 1 (Table II),2,524423,0,True,True,True,False,False,15,4.445865798433673e-10,63
7.1.2,188,1,Tran and Wesolowski set 2 (Table II),2,524423,0,True,True,True,False,False,6,1.4769409606541744e-10,18
7.1.2,188,2,Tran and Wesolowski set 2 (Table II),2,524423,0,True,True,True,False,False,15,6.655105308048631e-10,63
7.1.2,189,1,Tran and Wesolowski set 3 (Table II),2,524423,0,True,True,True,False,False,6,1.4771403755500885e-10,18
7.1.2,189,2,Tran and Wesolowski set 3 (Table II),2,524423,0,True,True,True,False,False,15,4.153407575644093e-10,63
7.1.2,190,1,Tran and Wesolowski set 4 (Table II),2,524423,0,True,True,True,False,False,6,1.4753131898471523e-10,18
7.1.2,190,2,Tran and Wesolowski set 4 (Table II),2,524423,0,True,True,True,False,False,15,3.9745341441075786e-10,63
7.1.2,191,1,"Haas, Tran, Blaha, and Schwarz",2,524423,0,True,True,True,False,False,6,1.0585038733081316e-10,18
7.1.2,191,2,"Haas, Tran, Blaha, and Schwarz",2,524423,0,True,True,True,False,False,15,2.3456396461996445e-09,63
7.1.2,192,1,Constantin et al based on the Airy gas,2,524423,10,True,True,True,False,False,6,6.406099967771761e-10,18
7.1.2,192,2,Constantin et al based on the Airy gas,2,524423,10,True,True,True,False,False,15,1.3202665064734205e-08,63
7.1.2,193,1,Local Airy Gas,2,524423,10,True,True,True,False,False,6,1.347147474134025e-10,18
7.1.2,193,2,Local Airy Gas,2,524423,10,True,True,True,False,False,15,6.548153707890202e-09,63
7.1.2,194,1,Functional for organometallic chemistry,2,524423,0,True,True,True,False,False,6,1.0042377102418212e-10,18
7.1.2,194,2,Functional for organometallic chemistry,2,524423,0,True,True,True,False,False,15,6.757284816450378e-09,63
7.1.2,195,1,Functional for barrier heights,2,524423,0,True,True,True,False,False,6,1.0322624765281412e-10,18
7.1.2,195,2,Functional for barrier heights,2,524423,0,True,True,True,False,False,15,8.847091176116163e-09,63
7.1.2,196,1,Tozer and Handy v. FL,1,524423,4,True,True,True,False,False,3,8.238953586920242e-11,9
7.1.2,196,2,Tozer and Handy v. FL,1,524423,4,True,True,True,False,False,6,8.811508288622339e-11,18
7.1.2,197,1,Tozer and Handy v. FC,2,524423,21,True,True,True,False,False,6,7.131243742936767e-09,18
7.1.2,197,2,Tozer and Handy v. FC,2,524423,21,True,True,True,False,False,15,7.019087789587775e-08,63
7.1.2,198,1,Tozer and Handy v. FCFO,2,524423,21,True,True,True,False,False,6,7.131243742936767e-09,18
7.1.2,198,2,Tozer and Handy v. FCFO,2,524423,21,True,True,True,False,False,15,7.265167705291813e-08,63
7.1.2,199,1,Tozer and Handy v. FCO,2,524423,21,True,True,True,False,False,6,6.320518608320297e-09,18
7.1.2,199,2,Tozer and Handy v. FCO,2,524423,21,True,True,True,False,False,15,6.5416957793403e-08,63
7.1.2,200,1,Optimized correlation functional of Cohen and Handy,2,524423,2,True,True,True,False,False,6,4.1518651882063364e-10,18
7.1.2,200,2,Optimized correlation functional of Cohen and Handy,2,524423,2,True,True,True,False,False,15,1.1005493927637893e-08,63
7.1.2,201,1,Local tau approximation,4,589959,1,True,True,True,False,False,9,9.446457770493343e-11,30
7.1.2,201,2,Local tau approximation,4,589959,1,True,True,True,False,False,21,1.0001792705057763e-10,108
7.1.2,202,1,"Tao, Perdew, Staroverov & Scuseria",4,589959,7,True,True,True,False,False,9,8.951744307627416e-11,30
7.1.2,202,2,"Tao, Perdew, Staroverov & Scuseria",4,589959,7,True,True,True,False,False,21,1.8992618151136645e-08,108
7.1.2,203,1,Minnesota M06-L exchange functional,4,589959,18,True,True,True,False,False,9,1.8825322246075686e-09,30
7.1.2,203,2,Minnesota M06-L exchange functional,4,589959,18,True,True,True,False,False,21,3.827487363308495e-09,108
7.1.2,204,1,GVT4 (X part of VSXC),4,589959,0,True,True,True,False,False,9,9.26936036844507e-10,30
7.1.2,204,2,GVT4 (X part of VSXC),4,589959,0,True,True,True,False,False,21,8.499434296024146e-10,108
7.1.2,205,1,tau-HCTH from Boese and Handy,4,589959,8,True,True,True,False,False,9,9.914551239579482e-11,30
7.1.2,205,2,tau-HCTH from Boese and Handy,4,589959,8,True,True,True,False,False,21,4.849012386637218e-09,108
7.1.2,206,1,"Becke-Roussel 89, gamma = 0.8",4,622727,2,True,True,True,False,False,12,3.528742244221825e-10,45
7.1.2,206,2,"Becke-Roussel 89, gamma = 0.8",4,622727,2,True,True,True,False,False,27,3.7792072930198526e-10,165
7.1.2,207,1,Becke & Johnson 06,4,622726,2,False,True,True,False,False,0,0,42
7.1.2,207,2,Becke & Johnson 06,4,622726,2,False,True,True,False,False,0,0,162
7.1.2,208,1,Tran & Blaha 09,4,622726,2,False,True,True,False,False,0,0,42
7.1.2,208,2,Tran & Blaha 09,4,622726,2,False,True,True,False,False,0,0,162
7.1.2,209,1,"Rasanen, Pittalis & Proetto 09",4,622726,2,False,True,True,False,False,0,0,42
7.1.2,209,2,"Rasanen, Pittalis & Proetto 09",4,622726,2,False,True,True,False,False,0,0,162
7.1.2,210,1,Pittalis-Rasanen-Helbig-Gross 2007,4,639047,0,True,True,True,False,False,12,1.2572940566243713e-10,45
7.1.2,210,2,Pittalis-Rasanen-Helbig-Gross 2007,4,639047,0,True,True,True,False,False,27,1.3483598308135307e-10,165
7.1.2,211,1,PRHG07 with Pittalis-Rasanen-Proetto 2010 correction,4,639046,0,False,True,True,False,False,0,0,42
7.1.2,211,2,PRHG07 with Pittalis-Rasanen-Proetto 2010 correction,4,639046,0,False,True,True,False,False,0,0,162
7.1.2,212,1,"revised Tao, Perdew, Staroverov & Scuseria",4,589959,7,True,True,True,False,False,9,8.862975959180503e-11,30
7.1.2,212,2,"revised Tao, Perdew, Staroverov & Scuseria",4,589959,7,True,True,True,False,False,21,1.731026928769307e-08,108
7.1.2,213,1,"Perdew, Kurth, Zupan, and Blaha",4,589959,0,True,True,True,False,False,9,4.2226427614807004e-10,30
7.1.2,213,2,"Perdew, Kurth, Zupan, and Blaha",4,589959,0,True,True,True,False,False,21,1.4973831559003763e-09,108
7.1.2,214,1,"Becke-Roussel 89, gamma = 1.0",4,622727,2,True,True,True,False,False,12,2.386000041176303e-10,45
7.1.2,214,2,"Becke-Roussel 89, gamma = 1.0",4,622727,2,True,True,True,False,False,27,4.1446370544174246e-10,165
7.1.2,215,1,"Engel, Chevary, Macdonald and Vosko",2,524423,6,True,True,True,False,False,6,1.0367529016873267e-09,18
7.1.2,215,2,"Engel, Chevary, Macdonald and Vosko",2,524423,6,True,True,True,False,False,15,1.564206182057433e-08,63
7.1.2,216,1,"Perdew, Burke & Ernzerhof based on VWN correlation",2,524423,3,True,True,True,False,False,6,1.2642125632989398e-11,18
7.1.2,216,2,"Perdew, Burke & Ernzerhof based on VWN correlation",2,524423,3,True,True,True,False,False,15,5.760422132716126e-11,63
7.1.2,217,1,Perdew 86 with more accurate value for ftilde,2,524423,7,True,True,True,False,False,6,2.5949332507328213e-10,18
7.1.2,217,2,Perdew 86 with more accurate value for ftilde,2,524423,7,True,True,True,False,False,15,9.27066481510388e-10,63
7.1.2,218,1,"RATIONAL$^{p}$ by Lehtomaki and Lopez-Acevedo (by default $p=3/2$, $C_{2}=0.7687$)",2,524423,2,True,True,True,False,False,6,1.3025864784535573e-10,18
7.1.2,218,2,"RATIONAL$^{p}$ by Lehtomaki and Lopez-Acevedo (by default $p=3/2$, $C_{2}=0.7687$)",2,524423,2,True,True,True,False,False,15,2.55180434594766e-09,63
7.1.2,219,1,"PG1 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala",2,524423,1,True,True,True,False,False,6,1.5683048400876745e-10,18
7.1.2,219,2,"PG1 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala",2,524423,1,True,True,True,False,False,15,1.4909133176408954e-09,63
7.1.2,220,1,"PGSL025 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala",4,557191,2,True,True,True,False,False,9,1.4931193404097655e-10,30
7.1.2,220,2,"PGSL025 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala",4,557191,2,True,True,True,False,False,21,8.421389348675287e-09,108
7.1.2,221,1,"MS exchange of Sun, Xiao, and Ruzsinszky",4,589959,3,True,True,True,False,False,9,1.9637272093761974e-09,30
7.1.2,221,2,"MS exchange of Sun, Xiao, and Ruzsinszky",4,589959,3,True,True,True,False,False,21,3.4273001598597038e-09,108
7.1.2,222,1,"MS1 exchange of Sun, et al",4,589959,3,True,True,True,False,False,9,1.7284097970237454e-09,30
7.1.2,222,2,"MS1 exchange of Sun, et al",4,589959,3,True,True,True,False,False,21,2.960927075729381e-09,108
7.1.2,223,1,"MS2 exchange of Sun, et al",4,589959,3,True,True,True,False,False,9,5.074347546005247e-10,30
7.1.2,223,2,"MS2 exchange of Sun, et al",4,589959,3,True,True,True,False,False,21,1.0204447945970317e-09,108
7.1.2,224,1,"MS2 hybrid exchange of Sun, et al",64,589959,0,True,True,True,False,False,9,4.854582962277846e-10,30
7.1.2,224,2,"MS2 hybrid exchange of Sun, et al",64,589959,0,True,True,True,False,False,21,9.781042030129531e-10,108
7.1.2,225,1,Tsuneda and Hirao,4,606343,0,True,True,True,False,False,9,1.3880435538461067e-09,30
7.1.2,225,2,Tsuneda and Hirao,4,606343,0,True,True,True,False,False,21,2.1342327476576433e-09,108
7.1.2,226,1,Minnesota M11-L exchange functional,4,589959,49,True,True,True,False,False,9,4.972353290656579e-09,30
7.1.2,226,2,Minnesota M11-L exchange functional,4,589959,49,True,True,True,False,False,21,4.287861147023563e-09,108
7.1.2,227,1,Minnesota MN12-L exchange functional,4,589959,40,True,True,True,False,False,9,1.2111028368262227e-09,30
7.1.2,227,2,Minnesota MN12-L exchange functional,4,589959,40,True,True,True,False,False,21,1.7618115856757667e-09,108
7.1.2,228,1,"MS2 exchange of Sun, et al with revised value for c",4,589959,3,True,True,True,False,False,9,5.072724629869817e-10,30
7.1.2,228,2,"MS2 exchange of Sun, et al with revised value for c",4,589959,3,True,True,True,False,False,21,1.021125229052063e-09,108
7.1.2,229,1,Cancio and Chou 2006,4,557191,0,True,True,True,False,False,9,1.0010600291697829e-10,30
7.1.2,229,2,Cancio and Chou 2006,4,557191,0,True,True,True,False,False,21,9.170634091146113e-11,108
7.1.2,230,1,"Ghosh-Parr 1986 meta-GGA exchange, later reinvestigated by Manby and Knowles",4,639111,1,True,True,True,False,False,12,1.4901298829887349e-09,45
7.1.2,230,2,"Ghosh-Parr 1986 meta-GGA exchange, later reinvestigated by Manby and Knowles",4,639111,1,True,True,True,False,False,27,2.249741157246171e-09,165
7.1.2,231,1,"Tao, Perdew, Staroverov & Scuseria",4,589959,6,True,True,True,False,False,9,1.0218589187686951e-11,30
7.1.2,231,2,"Tao, Perdew, Staroverov & Scuseria",4,589959,6,True,True,True,False,False,21,5.0237980446356083e-11,108
7.1.2,232,1,VSXC (correlation part),4,589959,14,True,True,True,False,False,9,2.3636567436015225e-09,30
7.1.2,232,2,VSXC (correlation part),4,589959,14,True,True,True,False,False,21,3.432648643197535e-09,108
7.1.2,233,1,Minnesota M06-L correlation functional,4,589959,27,True,True,True,False,False,9,8.520342834180229e-09,30
7.1.2,233,2,Minnesota M06-L correlation functional,4,589959,27,True,True,True,False,False,21,8.007679147150332e-08,108
7.1.2,234,1,Minnesota M06-HF correlation functional,4,589959,27,True,True,True,False,False,9,5.750640353577157e-09,30
7.1.2,234,2,Minnesota M06-HF correlation functional,4,589959,27,True,True,True,False,False,21,6.072306588628838e-07,108
7.1.2,235,1,Minnesota M06 correlation functional,4,589959,27,True,True,True,False,False,9,1.1280330535637995e-08,30
7.1.2,235,2,Minnesota M06 correlation functional,4,589959,27,True,True,True,False,False,21,2.6911174312014245e-08,108
7.1.2,236,1,Minnesota M06-2X correlation functional,4,589959,27,True,True,True,False,False,9,4.281284117378003e-09,30
7.1.2,236,2,Minnesota M06-2X correlation functional,4,589959,27,True,True,True,False,False,21,2.810490322348573e-07,108
7.1.2,237,1,Minnesota M05 correlation functional,4,589959,13,True,True,True,False,False,9,1.2617647382628341e-08,30
7.1.2,237,2,Minnesota M05 correlation functional,4,589959,13,True,True,True,False,False,21,3.040253052269734e-07,108
7.1.2,238,1,Minnesota M05-2X correlation functional,4,589959,13,True,True,True,False,False,9,2.6691953589716837e-09,30
7.1.2,238,2,Minnesota M05-2X correlation functional,4,589959,13,True,True,True,False,False,21,7.016416790583159e-07,108
7.1.2,239,1,"Perdew, Kurth, Zupan, and Blaha",4,589959,0,True,True,True,False,False,9,1.0439413329260838e-11,30
7.1.2,239,2,"Perdew, Kurth, Zupan, and Blaha",4,589959,0,True,True,True,False,False,21,4.675214543405414e-10,108
7.1.2,240,1,Becke correlation 95,4,589959,2,True,True,True,False,False,9,4.0178007211395253e-10,30
7.1.2,240,2,Becke correlation 95,4,589959,2,True,True,True,False,False,21,5.728446260397949e-08,108
7.1.2,241,1,revised TPSS correlation,4,589959,5,True,True,True,False,False,9,8.001170788772066e-12,30
7.1.2,241,2,revised TPSS correlation,4,589959,5,True,True,True,False,False,21,4.900556464215169e-11,108
7.1.2,242,1,TPSSLYP1W,4,589959,0,True,True,True,False,False,9,9.024985986977267e-11,30
7.1.2,242,2,TPSSLYP1W,4,589959,0,True,True,True,False,False,21,2.00510638821262e-08,108
7.1.2,243,1,Exchange for accurate virtual orbital energies (v. B),4,639111,0,True,True,True,False,False,12,1.4901298829887349e-09,45
7.1.2,243,2,Exchange for accurate virtual orbital energies (v. B),4,639111,0,True,True,True,False,False,27,2.249741157246171e-09,165
7.1.2,244,1,functional with balanced localization,4,589959,7,True,True,True,False,False,9,8.943424648700246e-11,30
7.1.2,244,2,functional with balanced localization,4,589959,7,True,True,True,False,False,21,1.7358225029583742e-08,108
7.1.2,245,1,"Modified Tao, Perdew, Staroverov & Scuseria",4,589959,7,True,True,True,False,False,9,8.972223016107663e-11,30
7.1.2,245,2,"Modified Tao, Perdew, Staroverov & Scuseria",4,589959,7,True,True,True,False,False,21,1.8780556042841572e-08,108
7.1.2,246,1,Semilocal dynamical correlation,2,524423,0,True,True,True,False,False,6,1.4597253232500667e-11,18
7.1.2,246,2,Semilocal dynamical correlation,2,524423,0,True,True,True,False,False,15,7.283317231932078e-11,63
7.1.2,247,1,Semilocal dynamical correlation,4,589959,0,True,True,True,False,False,9,1.975597946620116e-11,30
7.1.2,247,2,Semilocal dynamical correlation,4,589959,0,True,True,True,False,False,21,8.121731869493295e-11,108
7.1.2,248,1,Minnesota MN12-SX hybrid exchange functional,64,590215,43,True,True,True,False,False,9,2.116658358489061e-09,30
7.1.2,248,2,Minnesota MN12-SX hybrid exchange functional,64,590215,43,True,True,True,False,False,21,3.156281808450951e-09,108
7.1.2,249,1,mBEEF exchange,4,589959,0,True,True,True,False,False,9,2.631306362946057e-09,30
7.1.2,249,2,mBEEF exchange,4,589959,0,True,True,True,False,False,21,4.002012518222677e-09,108
7.1.2,250,1,mBEEF-vdW exchange,4,589959,0,True,True,True,False,False,9,2.1032551430327732e-09,30
7.1.2,250,2,mBEEF-vdW exchange,4,589959,0,True,True,True,False,False,21,3.878399781675525e-09,108
7.1.2,251,1,Tao and Mo 2016 correlation,4,589959,6,True,True,True,False,False,9,1.2103792539130835e-11,30
7.1.2,251,2,Tao and Mo 2016 correlation,4,589959,6,True,True,True,False,False,21,5.750732484653015e-11,108
7.1.2,252,1,Perdew 86 based on VWN5 correlation,2,524423,7,True,True,True,False,False,6,2.575941324579208e-10,18
7.1.2,252,2,Perdew 86 based on VWN5 correlation,2,524423,7,True,True,True,False,False,15,9.265527112245949e-10,63
7.1.2,253,1,"Perdew 86 based on VWN5 correlation, with more accurate value for ftilde",2,524423,7,True,True,True,False,False,6,2.5823403352526847e-10,18
7.1.2,253,2,"Perdew 86 based on VWN5 correlation, with more accurate value for ftilde",2,524423,7,True,True,True,False,False,15,9.25834903173879e-10,63
7.1.2,254,1,B97M-V exchange-correlation functional,4,590983,15,True,True,True,False,False,9,8.268401906771372e-10,30
7.1.2,254,2,B97M-V exchange-correlation functional,4,590983,15,True,True,True,False,False,21,1.222505010526314e-08,108
7.1.2,255,1,Vydrov and Van Voorhis,2,525447,2,True,True,True,False,False,6,2.214352632790938e-10,18
7.1.2,255,2,Vydrov and Van Voorhis,2,525447,2,True,True,True,False,False,15,5.285490800820942e-08,63
7.1.2,256,1,Jemmer-Knowles meta-GGA exchange,4,557191,2,True,True,True,False,False,9,3.86638791289171e-09,30
7.1.2,256,2,Jemmer-Knowles meta-GGA exchange,4,557191,2,True,True,True,False,False,21,1.1869106875827899e-07,108
7.1.2,257,1,"MVS exchange of Sun, Perdew, and Ruzsinszky",4,589959,4,True,True,True,False,False,9,3.504960346069137e-10,30
7.1.2,257,2,"MVS exchange of Sun, Perdew, and Ruzsinszky",4,589959,4,True,True,True,False,False,21,1.5415979557817746e-09,108
7.1.2,258,1,PBE for formation energies,2,524423,4,True,True,True,False,False,6,4.688221862639259e-12,18
7.1.2,258,2,PBE for formation energies,2,524423,4,True,True,True,False,False,15,4.9082485601437227e-11,63
7.1.2,259,1,"Karasiev, Sjostrom, Dufty & Trickey",1,524423,1,True,True,True,False,False,3,9.9744946496581e-11,9
7.1.2,259,2,"Karasiev, Sjostrom, Dufty & Trickey",1,524423,1,True,True,True,False,False,6,9.000119084406814e-11,18
7.1.2,260,1,Minnesota MN15-L exchange functional,4,589959,40,True,True,True,False,False,9,1.21409326404928e-09,30
7.1.2,260,2,Minnesota MN15-L exchange functional,4,589959,40,True,True,True,False,False,21,1.3125275523019562e-09,108
7.1.2,261,1,Minnesota MN15-L correlation functional,4,589959,24,True,True,True,False,False,9,9.684018084684733e-10,30
7.1.2,261,2,Minnesota MN15-L correlation functional,4,589959,24,True,True,True,False,False,21,7.191162778706469e-10,108
7.1.2,262,1,one-parameter progressive functional (PW91 version),2,524423,0,True,True,True,False,False,6,8.652604604427216e-10,18
7.1.2,262,2,one-parameter progressive functional (PW91 version),2,524423,0,True,True,True,False,False,15,1.0652751375405943e-08,63
7.1.2,263,1,"SCAN exchange of Sun, Ruzsinszky, and Perdew",4,589959,4,True,True,True,False,False,9,2.640270177685056e-09,30
7.1.2,263,2,"SCAN exchange of Sun, Ruzsinszky, and Perdew",4,589959,4,True,True,True,False,False,21,8.651402764404331e-10,108
7.1.2,264,1,SCAN hybrid exchange (SCAN0),64,589959,1,True,True,True,False,False,9,2.315309985442265e-09,30
7.1.2,264,2,SCAN hybrid exchange (SCAN0),64,589959,1,True,True,True,False,False,21,7.318687508989537e-10,108
7.1.2,265,1,PBE for formation energies,2,524423,2,True,True,True,False,False,6,1.0883269455157931e-10,18
7.1.2,265,2,PBE for formation energies,2,524423,2,True,True,True,False,False,15,3.2538048762191223e-09,63
7.1.2,266,1,version of B97 by Cohen and Handy,32,524423,16,True,True,True,False,False,6,8.725861942904487e-09,18
7.1.2,266,2,version of B97 by Cohen and Handy,32,524423,16,True,True,True,False,False,15,3.920733090281407e-07,63
7.1.2,267,1,"SCAN correlation of Sun, Ruzsinszky, and Perdew",4,589959,0,True,True,True,False,False,9,1.473060660592694e-09,30
7.1.2,267,2,"SCAN correlation of Sun, Ruzsinszky, and Perdew",4,589959,0,True,True,True,False,False,21,4.073029721775997e-10,108
7.1.2,268,1,Minnesota MN15 hybrid exchange functional,64,589959,41,True,True,True,False,False,9,5.627768590094791e-10,30
7.1.2,268,2,Minnesota MN15 hybrid exchange functional,64,589959,41,True,True,True,False,False,21,6.555104792374697e-10,108
7.1.2,269,1,Minnesota MN15 correlation functional,4,589959,24,True,True,True,False,False,9,1.7911721319726385e-09,30
7.1.2,269,2,Minnesota MN15 correlation functional,4,589959,24,True,True,True,False,False,21,7.556956622035792e-10,108
7.1.2,270,1,Correct Asymptotic Potential,2,524423,2,True,True,True,False,False,6,1.870198525419553e-10,18
7.1.2,270,2,Correct Asymptotic Potential,2,524423,2,True,True,True,False,False,15,6.881398613844681e-09,63
7.1.2,271,1,Non-empirical (excogitated) B88 functional of Becke and Elliott,2,524423,2,True,True,True,False,False,6,1.0635030399203529e-10,18
7.1.2,271,2,Non-empirical (excogitated) B88 functional of Becke and Elliott,2,524423,2,True,True,True,False,False,15,6.050650662293488e-09,63
7.1.2,272,1,"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",2,524423,4,True,True,True,False,False,6,2.3330352730874967e-11,18
7.1.2,272,2,"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",2,524423,4,True,True,True,False,False,15,9.83324916624548e-11,63
7.1.2,273,1,PBEmol0,32,524423,1,True,True,True,False,False,6,8.646802020338526e-11,18
7.1.2,273,2,PBEmol0,32,524423,1,True,True,True,False,False,15,7.059136610342228e-10,63
7.1.2,274,1,PBEsol0,32,524423,1,True,True,True,False,False,6,8.595696862577998e-11,18
7.1.2,274,2,PBEsol0,32,524423,1,True,True,True,False,False,15,1.0349868901461928e-10,63
7.1.2,275,1,PBEbeta0,32,524423,1,True,True,True,False,False,6,8.759702223354979e-11,18
7.1.2,275,2,PBEbeta0,32,524423,1,True,True,True,False,False,15,3.8952959396496674e-10,63
7.1.2,276,1,PBEmolbeta0,32,524423,1,True,True,True,False,False,6,8.816524307281478e-11,18
7.1.2,276,2,PBEmolbeta0,32,524423,1,True,True,True,False,False,15,6.757639763864833e-10,63
7.1.2,277,1,gamma-TFvW form by Acharya et al [$g = 1 - 1.513/N^{0.35}]$,2,524423,1,True,True,True,False,False,6,6.941516780040704e-11,18
7.1.2,277,2,gamma-TFvW form by Acharya et al [$g = 1 - 1.513/N^{0.35}]$,2,524423,1,True,True,True,False,False,15,2.4041638182345006e-10,63
7.1.2,278,1,gamma-TFvW form by Acharya et al [$g = l = 1/(1 + 1.332/N^{1/3})$],2,524423,1,True,True,True,False,False,6,1.3233409125681514e-10,18
7.1.2,278,2,gamma-TFvW form by Acharya et al [$g = l = 1/(1 + 1.332/N^{1/3})$],2,524423,1,True,True,True,False,False,15,2.1068570093944688e-10,63
7.1.2,279,1,Boese-Martin for kinetics,64,589959,9,True,True,True,False,False,9,4.716600645196725e-10,30
7.1.2,279,2,Boese-Martin for kinetics,64,589959,9,True,True,True,False,False,21,4.910715804322067e-09,108
7.1.2,280,1,Boese-Martin correlation for kinetics,2,524423,10,True,True,True,False,False,6,3.3662541521698495e-08,18
7.1.2,280,2,Boese-Martin correlation for kinetics,2,524423,10,True,True,True,False,False,15,5.375874937701971e-07,63
7.1.2,281,1,correlation part of tau-hcth,2,524423,10,True,True,True,False,False,6,4.382432626433743e-09,18
7.1.2,281,2,correlation part of tau-hcth,2,524423,10,True,True,True,False,False,15,2.179454476357265e-07,63
7.1.2,282,1,Hybrid version of tau-HCTH,64,589959,9,True,True,True,False,False,9,9.223956243488026e-11,30
7.1.2,282,2,Hybrid version of tau-HCTH,64,589959,9,True,True,True,False,False,21,4.4412248668613506e-10,108
7.1.2,283,1,correlation part of hyb-tau-hcth,2,524423,10,True,True,True,False,False,6,2.1538703346469265e-08,18
7.1.2,283,2,correlation part of hyb-tau-hcth,2,524423,10,True,True,True,False,False,15,8.161560428245083e-07,63
7.1.2,284,1,Becke 2000,4,622727,2,True,True,True,False,False,12,1.4996813794376351e-09,45
7.1.2,284,2,Becke 2000,4,622727,2,True,True,True,False,False,27,2.1995424180900152e-09,165
7.1.2,285,1,BEEF-vdW exchange,2,524423,0,True,True,True,False,False,6,7.324854137657783e-06,18
7.1.2,285,2,BEEF-vdW exchange,2,524423,0,True,True,True,False,False,15,7.148072991471359e-06,63
7.1.2,286,1,BEEF-vdW exchange-correlation,2,524423,0,True,True,True,False,False,6,7.812394441815001e-06,18
7.1.2,286,2,BEEF-vdW exchange-correlation,2,524423,0,True,True,True,False,False,15,7.59659734714475e-06,63
7.1.2,287,1,Chachiyo simple 2 parameter correlation,1,524423,6,True,True,True,False,False,3,1.1242743313212978e-11,9
7.1.2,287,2,Chachiyo simple 2 parameter correlation,1,524423,6,True,True,True,False,False,6,4.013190833004509e-11,18
7.1.2,288,1,high local exchange 2017,4,589959,0,True,True,True,False,False,9,9.706371568212585e-11,30
7.1.2,288,2,high local exchange 2017,4,589959,0,True,True,True,False,False,21,2.4793934807854916e-08,108
7.1.2,289,1,Liu-Parr correlation,1,524423,4,True,True,True,False,False,3,2.0626784778678353e-11,9
7.1.2,289,2,Liu-Parr correlation,1,524423,4,True,True,True,False,False,6,1.0292712217366999e-11,18
7.1.2,290,1,PBE50,32,524423,1,True,True,True,False,False,6,6.753694842925385e-11,18
7.1.2,290,2,PBE50,32,524423,1,True,True,True,False,False,15,3.504587598424243e-10,63
7.1.2,291,1,Gradient-regulated connection-based correction for the PBE exchange,2,524423,0,True,True,True,False,False,6,1.0619960928170405e-10,18
7.1.2,291,2,Gradient-regulated connection-based correction for the PBE exchange,2,524423,0,True,True,True,False,False,15,1.5811816663796936e-10,63
7.1.2,292,1,SCAN + rVV10 correlation,4,590983,0,True,True,True,False,False,9,1.473060660592694e-09,30
7.1.2,292,2,SCAN + rVV10 correlation,4,590983,0,True,True,True,False,False,21,4.073029721775997e-10,108
7.1.2,293,1,Minnesota revM06-L exchange functional,4,589959,18,True,True,True,False,False,9,7.548916077795644e-10,30
7.1.2,293,2,Minnesota revM06-L exchange functional,4,589959,18,True,True,True,False,False,21,1.211631220574417e-09,108
7.1.2,294,1,Minnesota revM06-L correlation functional,4,589959,27,True,True,True,False,False,9,1.5661795613024943e-09,30
7.1.2,294,2,Minnesota revM06-L correlation functional,4,589959,27,True,True,True,False,False,21,1.625102863036995e-07,108
7.1.2,295,1,Minnesota M08-HX hybrid exchange functional,64,589959,25,True,True,True,False,False,9,4.8443709086610204e-09,30
7.1.2,295,2,Minnesota M08-HX hybrid exchange functional,64,589959,25,True,True,True,False,False,21,6.525406833508788e-09,108
7.1.2,296,1,Minnesota M08-SO hybrid exchange functional,64,589959,25,True,True,True,False,False,9,2.521717926735231e-09,30
7.1.2,296,2,Minnesota M08-SO hybrid exchange functional,64,589959,25,True,True,True,False,False,21,4.220900326558773e-09,108
7.1.2,297,1,Minnesota M11 hybrid exchange functional,64,590215,27,True,True,True,False,False,9,4.3157269245528284e-09,30
7.1.2,297,2,Minnesota M11 hybrid exchange functional,64,590215,27,True,True,True,False,False,21,3.506831117841034e-09,108
7.1.2,298,1,Chachiyo exchange,2,524423,0,True,True,True,False,False,6,2.7466799575549156e-10,18
7.1.2,298,2,Chachiyo exchange,2,524423,0,True,True,True,False,False,15,9.552345315834073e-09,63
7.1.2,299,1,TPSS for surface adsorption,4,589959,5,True,True,True,False,False,9,8.80138921569367e-11,30
7.1.2,299,2,TPSS for surface adsorption,4,589959,5,True,True,True,False,False,21,1.966051219272543e-08,108
7.1.2,300,1,MS2beta exchange of Furness and Sun,4,589959,0,True,True,True,False,False,9,1.7786864534748044e-10,30
7.1.2,300,2,MS2beta exchange of Furness and Sun,4,589959,0,True,True,True,False,False,21,2.597687020607374e-10,108
7.1.2,304,1,Revised Minnesota M11 hybrid exchange functional,64,590215,27,True,True,True,False,False,9,9.077937961112716e-10,30
7.1.2,304,2,Revised Minnesota M11 hybrid exchange functional,64,590215,27,True,True,True,False,False,21,1.2814853986862511e-09,108
7.1.2,305,1,Revised Minnesota M06 hybrid exchange functional,64,589959,19,True,True,True,False,False,9,1.0091740938395343e-09,30
7.1.2,305,2,Revised Minnesota M06 hybrid exchange functional,64,589959,19,True,True,True,False,False,21,1.8697277135866843e-09,108
7.1.2,306,1,Revised Minnesota M06 correlation functional,4,589959,27,True,True,True,False,False,9,6.684107152602702e-10,30
7.1.2,306,2,Revised Minnesota M06 correlation functional,4,589959,27,True,True,True,False,False,21,6.676780489021393e-08,108
7.1.2,307,1,Chachiyo simple 2 parameter correlation with modified spin scaling,1,524423,6,True,True,True,False,False,3,1.1242743313212978e-11,9
7.1.2,307,2,Chachiyo simple 2 parameter correlation with modified spin scaling,1,524423,6,True,True,True,False,False,6,3.9524638732914275e-11,18
7.1.2,308,1,Karasiev reparameterization of Chachiyo,1,524423,6,True,True,True,False,False,3,1.1093843821984935e-11,9
7.1.2,308,2,Karasiev reparameterization of Chachiyo,1,524423,6,True,True,True,False,False,6,4.005100543708642e-11,18
7.1.2,309,1,Chachiyo simple GGA correlation,2,524423,7,True,True,True,False,False,6,1.495535050535911e-11,18
7.1.2,309,2,Chachiyo simple GGA correlation,2,524423,7,True,True,True,False,False,15,6.680418578670033e-11,63
7.1.2,310,1,Minnesota M06-SX short-range hybrid exchange functional,64,590215,20,True,True,True,False,False,9,5.333965536118172e-10,30
7.1.2,310,2,Minnesota M06-SX short-range hybrid exchange functional,64,590215,20,True,True,True,False,False,21,1.07140744934145e-09,108
7.1.2,311,1,Minnesota M06-SX correlation functional,4,589959,27,True,True,True,False,False,9,1.2064082811230732e-09,30
7.1.2,311,2,Minnesota M06-SX correlation functional,4,589959,27,True,True,True,False,False,21,8.989204084467778e-08,108
7.1.2,312,1,"Revised Swart, Sola and Bickelhaupt dispersion",2,524423,8,True,True,True,False,False,6,1.5559391551179528e-10,18
7.1.2,312,2,"Revised Swart, Sola and Bickelhaupt dispersion",2,524423,8,True,True,True,False,False,15,4.4889307341164775e-08,63
7.1.2,313,1,ccDF: coupled-cluster motivated density functional,2,524423,5,True,True,True,False,False,6,1.0320139125263439e-10,18
7.1.2,313,2,ccDF: coupled-cluster motivated density functional,2,524423,5,True,True,True,False,False,15,6.043554768972259e-10,63
7.1.2,314,1,HF + LYP correlation,32,524423,0,True,True,True,False,False,6,7.613906855030903e-12,18
7.1.2,314,2,HF + LYP correlation,32,524423,0,True,True,True,False,False,15,1.1254129285640783e-10,63
7.1.2,315,1,"B3P86, NWChem version",32,524423,0,True,True,True,False,False,6,1.7333256927217071e-10,18
7.1.2,315,2,"B3P86, NWChem version",32,524423,0,True,True,True,False,False,15,6.548089299108068e-09,63
7.1.2,316,1,"PW91, alternate version with more digits",2,524423,3,True,True,True,False,False,6,2.2704273616831304e-09,18
7.1.2,316,2,"PW91, alternate version with more digits",2,524423,3,True,True,True,False,False,15,1.0709476290718299e-08,63
7.1.2,317,1,"Xie, Wu, and Zhao interpolation ansatz without fitting parameters",1,524423,0,True,True,True,False,False,3,1.1503770517797159e-11,9
7.1.2,317,2,"Xie, Wu, and Zhao interpolation ansatz without fitting parameters",1,524423,0,True,True,True,False,False,6,4.205205930407211e-11,18
7.1.2,318,1,"Corrected KSDT by Karasiev, Dufty and Trickey",1,524423,1,True,True,True,False,False,3,9.959379493634344e-11,9
7.1.2,318,2,"Corrected KSDT by Karasiev, Dufty and Trickey",1,524423,1,True,True,True,False,False,6,9.049599982753021e-11,18
7.1.2,319,1,Filatov and Thiel 1998 meta-GGA exchange,4,622727,6,True,True,True,False,False,12,1.98086067988132e-09,45
7.1.2,319,2,Filatov and Thiel 1998 meta-GGA exchange,4,622727,6,True,True,True,False,False,27,5.437783017253561e-09,165
7.1.2,320,1,"Perdew, Burke & Ernzerhof with less precise value for beta",2,524423,2,True,True,True,False,False,6,1.0604934913918233e-10,18
7.1.2,320,2,"Perdew, Burke & Ernzerhof with less precise value for beta",2,524423,2,True,True,True,False,False,15,3.7536720424750793e-10,63
7.1.2,321,1,"Perdew, Burke & Ernzerhof with parameter values used in Gaussian",2,524423,2,True,True,True,False,False,6,1.0608957558420082e-10,18
7.1.2,321,2,"Perdew, Burke & Ernzerhof with parameter values used in Gaussian",2,524423,2,True,True,True,False,False,15,3.7437896008121334e-10,63
7.1.2,322,1,"Perdew, Burke & Ernzerhof with parameters from Gaussian",2,524423,4,True,True,True,False,False,6,1.269276328293407e-11,18
7.1.2,322,2,"Perdew, Burke & Ernzerhof with parameters from Gaussian",2,524423,4,True,True,True,False,False,15,5.6023696135785005e-11,63
7.1.2,323,1,"Tao, Perdew, Staroverov & Scuseria with parameters from Gaussian",4,589959,6,True,True,True,False,False,9,1.0681565790370414e-11,30
7.1.2,323,2,"Tao, Perdew, Staroverov & Scuseria with parameters from Gaussian",4,589959,6,True,True,True,False,False,21,5.202483855625186e-11,108
7.1.2,324,1,Nearly correct asymptotic potential revised,2,524423,4,True,True,True,False,False,6,1.0634167290329453e-10,18
7.1.2,324,2,Nearly correct asymptotic potential revised,2,524423,4,True,True,True,False,False,15,1.8029701973022293e-09,63
7.1.2,325,1,relPBE0 a.k.a. relPBE: PBE0 refitted for actinide compounds,32,524423,6,True,True,True,False,False,6,8.723465530389848e-11,18
7.1.2,325,2,relPBE0 a.k.a. relPBE: PBE0 refitted for actinide compounds,32,524423,6,True,True,True,False,False,15,8.343548797176631e-11,63
7.1.2,326,1,Exact exchange-like exchange of Aschebrock et al,4,589959,3,True,True,True,False,False,9,1.3006634701504888e-09,30
7.1.2,326,2,Exact exchange-like exchange of Aschebrock et al,4,589959,3,True,True,True,False,False,21,1.5229599223694408e-09,108
7.1.2,327,1,Becke 97-3c by Grimme et. al.,2,524423,15,True,True,True,False,False,6,1.1006670445806938e-08,18
7.1.2,327,2,Becke 97-3c by Grimme et. al.,2,524423,15,True,True,True,False,False,15,2.4293946926435005e-07,63
7.1.2,328,1,epc17(-1): electron-proton correlation 2017,1,524423,3,True,True,True,False,False,3,1.3721908527434654e-11,9
7.1.2,328,2,epc17(-1): electron-proton correlation 2017,1,524423,3,True,True,True,False,False,6,3.3154199485971275e-12,18
7.1.2,329,1,epc17-2: electron-proton correlation 2017 for proton affinities,1,524423,3,True,True,True,False,False,3,2.8873381505647376e-12,9
7.1.2,329,2,epc17-2: electron-proton correlation 2017 for proton affinities,1,524423,3,True,True,True,False,False,6,3.5679507818501682e-12,18
7.1.2,330,1,epc18-1: electron-proton correlation 2018,1,524423,3,True,True,True,False,False,3,1.6912324999920045e-12,9
7.1.2,330,2,epc18-1: electron-proton correlation 2018,1,524423,3,True,True,True,False,False,6,1.3144715386294318e-12,18
7.1.2,331,1,epc18-2: electron-proton correlation 2018 for proton affinities,1,524423,3,True,True,True,False,False,3,1.1458892217694295e-11,9
7.1.2,331,2,epc18-2: electron-proton correlation 2018 for proton affinities,1,524423,3,True,True,True,False,False,6,1.3394410614870263e-12,18
7.1.2,332,1,dispersionless-optimized B97,2,524423,15,True,True,True,False,False,6,2.4152923471779498e-08,18
7.1.2,332,2,dispersionless-optimized B97,2,524423,15,True,True,True,False,False,15,2.0135262201950413e-06,63
7.1.2,333,1,"Modified SCAN (mSCAN) exchange of Desmarais, Erba, Vignale, and Pittalis",4,589959,4,True,True,True,False,False,9,2.636628652404602e-09,30
7.1.2,333,2,"Modified SCAN (mSCAN) exchange of Desmarais, Erba, Vignale, and Pittalis",4,589959,4,True,True,True,False,False,21,1.150899224751308e-08,108
7.1.2,334,1,"Modified SCAN (mSCAN) correlation of Desmarais, Erba, Vignale, and Pittalis",4,589959,0,True,True,True,False,False,9,1.4730606542829585e-09,30
7.1.2,334,2,"Modified SCAN (mSCAN) correlation of Desmarais, Erba, Vignale, and Pittalis",4,589959,0,True,True,True,False,False,21,3.991292452875869e-09,108
7.1.2,335,1,PBE reparametrization (version 1) for band gaps,2,524423,2,True,True,True,False,False,6,1.1787061623871284e-10,18
7.1.2,335,2,PBE reparametrization (version 1) for band gaps,2,524423,2,True,True,True,False,False,15,3.0004937170940523e-10,63
7.1.2,336,1,PBE reparametrization (version 2) for band gaps,2,524423,2,True,True,True,False,False,6,1.0926563996803459e-10,18
7.1.2,336,2,PBE reparametrization (version 2) for band gaps,2,524423,2,True,True,True,False,False,15,1.6382377829831318e-10,63
7.1.2,337,1,SLOC reparametrization for band gaps,1,524423,2,True,True,True,False,False,3,1.1335829553747088e-10,9
7.1.2,337,2,SLOC reparametrization for band gaps,1,524423,2,True,True,True,False,False,6,1.171074577278701e-10,18
7.1.2,338,1,"Exchange part of type-I band gap functional by Bhattacharjee, Koshi and Lee",2,524423,5,True,True,True,False,False,6,1.1450705639372146e-10,18
7.1.2,338,2,"Exchange part of type-I band gap functional by Bhattacharjee, Koshi and Lee",2,524423,5,True,True,True,False,False,15,5.237449892959933e-10,63
7.1.2,339,1,"Exchange part of type-II band gap functional by Bhattacharjee, Koshi and Lee",2,524423,5,True,True,True,False,False,6,1.0305837334350342e-10,18
7.1.2,339,2,"Exchange part of type-II band gap functional by Bhattacharjee, Koshi and Lee",2,524423,5,True,True,True,False,False,15,1.0895264025976692e-10,63
7.1.2,340,1,Minnesota CF22D hybrid exchange functional,64,589959,41,True,True,True,False,False,9,6.693614470214974e-10,30
7.1.2,340,2,Minnesota CF22D hybrid exchange functional,64,589959,41,True,True,True,False,False,21,2.520347553041244e-09,108
7.1.2,341,1,Minnesota CF22D correlation functional,4,589959,24,True,True,True,False,False,9,2.1960646170145173e-09,30
7.1.2,341,2,Minnesota CF22D correlation functional,4,589959,24,True,True,True,False,False,21,1.0836177022988494e-09,108
7.1.2,342,1,Lebeda-Aschebrock-Kummel meta-GGA exchange,4,589959,0,True,True,True,False,False,9,1.0631018707859217e-09,30
7.1.2,342,2,Lebeda-Aschebrock-Kummel meta-GGA exchange,4,589959,0,True,True,True,False,False,21,1.0068144127100368e-08,108
7.1.2,343,1,"Correlation part of type-I band gap functional by Bhattacharjee, Koshi and Lee",2,524423,4,True,True,True,False,False,6,9.139880497834243e-10,18
7.1.2,343,2,"Correlation part of type-I band gap functional by Bhattacharjee, Koshi and Lee",2,524423,4,True,True,True,False,False,15,2.9867800181290146e-09,63
7.1.2,344,1,"Correlation part of type-II band gap functional by Bhattacharjee, Koshi and Lee",2,524423,4,True,True,True,False,False,6,8.691928235944117e-12,18
7.1.2,344,2,"Correlation part of type-II band gap functional by Bhattacharjee, Koshi and Lee",2,524423,4,True,True,True,False,False,15,4.9080079037274446e-11,63
7.1.2,345,1,Lebeda-Aschebrock-Kummel meta-GGA correlation,4,589959,0,True,True,True,False,False,9,1.1883254637469187e-09,30
7.1.2,345,2,Lebeda-Aschebrock-Kummel meta-GGA correlation,4,589959,0,True,True,True,False,False,21,1.5123780130700276e-09,108
7.1.2,346,1,Becke 88 reoptimized by Chakraborty et al for use with vdW functional,2,524423,2,True,True,True,False,False,6,1.0342882422190992e-10,18
7.1.2,346,2,Becke 88 reoptimized by Chakraborty et al for use with vdW functional,2,524423,2,True,True,True,False,False,15,2.4408342940541276e-09,63
7.1.2,347,1,Becke 86 reoptimized by Chakraborty et al for use with vdW functional,2,524423,3,True,True,True,False,False,6,1.0333632355870921e-10,18
7.1.2,347,2,Becke 86 reoptimized by Chakraborty et al for use with vdW functional,2,524423,3,True,True,True,False,False,15,1.3694289435344393e-10,63
7.1.2,348,1,HLE17 reparametrization for band gaps,4,589959,0,True,True,True,False,False,9,9.7330098832162e-11,30
7.1.2,348,2,HLE17 reparametrization for band gaps,4,589959,0,True,True,True,False,False,21,2.2464922478361508e-08,108
7.1.2,349,1,Barbiellini & Jarlborg 89,1,524423,2,True,True,True,False,False,3,1.3366051136325543e-11,9
7.1.2,349,2,Barbiellini & Jarlborg 89,1,524423,2,True,True,True,False,False,6,9.812108892435488e-11,18
7.1.2,350,1,"Lee, Lee & Parr reparametrization of B88",2,524423,2,True,True,True,False,False,6,1.066071505393801e-10,18
7.1.2,350,2,"Lee, Lee & Parr reparametrization of B88",2,524423,2,True,True,True,False,False,15,6.573669883947754e-09,63
7.1.2,351,1,Liu-Parr correlation with 4 parameters,1,524423,4,True,True,True,False,False,3,1.4586805198689044e-11,9
7.1.2,351,2,Liu-Parr correlation with 4 parameters,1,524423,4,True,True,True,False,False,6,7.30124086574557e-12,18
7.1.2,352,1,Liu-Parr kinetic with 4 parameters,1,524423,4,True,True,True,False,False,3,2.8222503667755968e-11,9
7.1.2,352,2,Liu-Parr kinetic with 4 parameters,1,524423,4,True,True,True,False,False,6,1.550740808861074e-11,18
7.1.2,353,1,Random Phase Approximation based Functional (RPAF),1,524423,0,True,True,True,False,False,3,1.0110268114181323e-11,9
7.1.2,353,2,Random Phase Approximation based Functional (RPAF),1,524423,0,True,True,True,False,False,6,2.0371441576619676e-10,18
7.1.2,385,1,CAM-B3LYP retuned for core electron ionization energies,32,524679,4,True,True,True,False,False,6,7.219697861184109e-11,18
7.1.2,385,2,CAM-B3LYP retuned for core electron ionization energies,32,524679,4,True,True,True,False,False,15,1.5604729579624821e-09,63
7.1.2,387,1,Self-interaction corrected correlation functional by Schmidt et al,4,589959,0,True,True,True,False,False,9,1.1370656743345973e-11,30
7.1.2,387,2,Self-interaction corrected correlation functional by Schmidt et al,4,589959,0,True,True,True,False,False,21,4.9451997720814166e-11,108
7.1.2,388,1,Iso-orbital corrected LDA correlation by Lebeda et al,4,589959,1,True,True,True,False,False,9,1.1446882582612654e-11,30
7.1.2,388,2,Iso-orbital corrected LDA correlation by Lebeda et al,4,589959,1,True,True,True,False,False,21,4.960419458702918e-11,108
7.1.2,389,1,BR3P86 hybrid meta-GGA from Neumann and Handy,64,622727,3,True,True,True,False,False,12,2.4400238915362816e-10,45
7.1.2,389,2,BR3P86 hybrid meta-GGA from Neumann and Handy,64,622727,3,True,True,True,False,False,27,8.393814132282828e-10,165
7.1.2,390,1,CASE21: Constrained And Smoothed semi-Empirical 2021 functional,32,524423,23,True,True,True,False,False,6,8.663362732035938e-11,18
7.1.2,390,2,CASE21: Constrained And Smoothed semi-Empirical 2021 functional,32,524423,23,True,True,True,False,False,15,6.022748770381128e-08,63
7.1.2,391,1,Revised regTM correlation by Jana et al,4,589959,0,True,True,True,False,False,9,5.6573895164193676e-11,30
7.1.2,391,2,Revised regTM correlation by Jana et al,4,589959,0,True,True,True,False,False,21,2.2832421175506016e-10,108
7.1.2,392,1,PBE-2X: PBE0 with 56% exact exchange,32,524423,1,True,True,True,False,False,6,6.209222119088628e-11,18
7.1.2,392,2,PBE-2X: PBE0 with 56% exact exchange,32,524423,1,True,True,True,False,False,15,3.3909878936042833e-10,63
7.1.2,393,1,PBE38: PBE0 with 3/8 = 37.5% exact exchange,32,524423,1,True,True,True,False,False,6,7.75387838020186e-11,18
7.1.2,393,2,PBE38: PBE0 with 3/8 = 37.5% exact exchange,32,524423,1,True,True,True,False,False,15,3.8583931426321377e-10,63
7.1.2,394,1,B3LYP with VWN functional 3 instead of RPA,32,524423,3,True,True,True,False,False,6,9.505361937987765e-11,18
7.1.2,394,2,B3LYP with VWN functional 3 instead of RPA,32,524423,3,True,True,True,False,False,15,6.3313621888215956e-09,63
7.1.2,395,1,CAM-O3LYP,32,524679,6,True,True,True,False,False,6,7.790296467494396e-08,18
7.1.2,395,2,CAM-O3LYP,32,524679,6,True,True,True,False,False,15,3.9318302421804236e-07,63
7.1.2,396,1,TPSS0 with 25% exact exchange,64,589959,1,True,True,True,False,False,9,6.68078809172581e-11,30
7.1.2,396,2,TPSS0 with 25% exact exchange,64,589959,1,True,True,True,False,False,21,1.182154863824445e-08,108
7.1.2,397,1,Becke 1994 meta-GGA correlation,4,622727,3,True,True,True,False,False,12,2.5668734061651385e-10,45
7.1.2,397,2,Becke 1994 meta-GGA correlation,4,622727,3,True,True,True,False,False,27,2.988458614778092e-10,165
7.1.2,398,1,Becke 1994 hybrid meta-GGA,64,622727,4,True,True,True,False,False,12,2.6384570229503163e-10,45
7.1.2,398,2,Becke 1994 hybrid meta-GGA,64,622727,4,True,True,True,False,False,27,4.5670898940141635e-10,165
7.1.2,399,1,wB97X-D3 range-separated functional,32,524679,18,True,True,True,False,False,6,1.262295509266356e-07,18
7.1.2,399,2,wB97X-D3 range-separated functional,32,524679,18,True,True,True,False,False,15,1.0275428233887817e-06,63
7.1.2,400,1,LC version of BLYP,32,524679,1,True,True,True,False,False,6,1.1160003500031988e-10,18
7.1.2,400,2,LC version of BLYP,32,524679,1,True,True,True,False,False,15,4.0249448685431115e-09,63
7.1.2,401,1,"The original (ACM, B3PW91) hybrid of Becke",32,524423,3,True,True,True,False,False,6,5.359526284094969e-10,18
7.1.2,401,2,"The original (ACM, B3PW91) hybrid of Becke",32,524423,3,True,True,True,False,False,15,6.621631726306761e-09,63
7.1.2,402,1,B3LYP,32,524423,3,True,True,True,False,False,6,9.471393745590827e-11,18
7.1.2,402,2,B3LYP,32,524423,3,True,True,True,False,False,15,6.338691113124418e-09,63
7.1.2,403,1,B3P86,32,524423,3,True,True,True,False,False,6,1.669584576261794e-10,18
7.1.2,403,2,B3P86,32,524423,3,True,True,True,False,False,15,6.548089299108068e-09,63
7.1.2,404,1,O3LYP,32,524423,4,True,True,True,False,False,6,9.703075032375984e-11,18
7.1.2,404,2,O3LYP,32,524423,4,True,True,True,False,False,15,6.6867096740556404e-09,63
7.1.2,405,1,mPW1K,32,524423,1,True,True,True,False,False,6,2.689931404996344e-09,18
7.1.2,405,2,mPW1K,32,524423,1,True,True,True,False,False,15,1.0612076414358872e-08,63
7.1.2,406,1,PBEH (PBE0),32,524423,1,True,True,True,False,False,6,8.635974758518779e-11,18
7.1.2,406,2,PBEH (PBE0),32,524423,1,True,True,True,False,False,15,4.086868836110864e-10,63
7.1.2,407,1,Becke 97,32,524423,16,True,True,True,False,False,6,1.0532835745295978e-08,18
7.1.2,407,2,Becke 97,32,524423,16,True,True,True,False,False,15,7.301003362977592e-07,63
7.1.2,408,1,Becke 97-1,32,524423,16,True,True,True,False,False,6,1.1001956216629026e-08,18
7.1.2,408,2,Becke 97-1,32,524423,16,True,True,True,False,False,15,8.208878532379884e-07,63
7.1.2,409,1,APF hybrid functional,32,524423,0,True,True,True,False,False,6,2.214763397369038e-10,18
7.1.2,409,2,APF hybrid functional,32,524423,0,True,True,True,False,False,15,3.0998330512775624e-09,63
7.1.2,410,1,Becke 97-2,32,524423,16,True,True,True,False,False,6,4.602131058771615e-09,18
7.1.2,410,2,Becke 97-2,32,524423,16,True,True,True,False,False,15,3.4485355554025916e-07,63
7.1.2,411,1,X3LYP,32,524423,5,True,True,True,False,False,6,3.903688719415014e-10,18
7.1.2,411,2,X3LYP,32,524423,5,True,True,True,False,False,15,7.262297679778592e-09,63
7.1.2,412,1,B1WC,32,524423,1,True,True,True,False,False,6,9.148086195196464e-11,18
7.1.2,412,2,B1WC,32,524423,1,True,True,True,False,False,15,2.673583201263524e-09,63
7.1.2,413,1,Boese-Martin for Kinetics,32,524423,16,True,True,True,False,False,6,1.2666076549441542e-08,18
7.1.2,413,2,Boese-Martin for Kinetics,32,524423,16,True,True,True,False,False,15,5.58004299066039e-07,63
7.1.2,414,1,Becke 97-3,32,524423,16,True,True,True,False,False,6,3.4237488981957475e-08,18
7.1.2,414,2,Becke 97-3,32,524423,16,True,True,True,False,False,15,8.406952840751194e-07,63
7.1.2,415,1,MPW3PW of Adamo & Barone,32,524423,3,True,True,True,False,False,6,3.064048335211067e-09,18
7.1.2,415,2,MPW3PW of Adamo & Barone,32,524423,3,True,True,True,False,False,15,1.1072651484388394e-08,63
7.1.2,416,1,B1LYP,32,524423,1,True,True,True,False,False,6,9.22749456180905e-11,18
7.1.2,416,2,B1LYP,32,524423,1,True,True,True,False,False,15,6.56495088266784e-09,63
7.1.2,417,1,B1PW91,32,524423,1,True,True,True,False,False,6,7.042383908770386e-10,18
7.1.2,417,2,B1PW91,32,524423,1,True,True,True,False,False,15,6.938518498351576e-09,63
7.1.2,418,1,mPW1PW,32,524423,1,True,True,True,False,False,6,3.513206705252699e-09,18
7.1.2,418,2,mPW1PW,32,524423,1,True,True,True,False,False,15,1.1616033985128663e-08,63
7.1.2,419,1,MPW3LYP,32,524423,3,True,True,True,False,False,6,1.919534681625703e-09,18
7.1.2,419,2,MPW3LYP,32,524423,3,True,True,True,False,False,15,1.0507277275559817e-08,63
7.1.2,420,1,SB98 (1a),32,524423,16,True,True,True,False,False,6,3.666520404565937e-09,18
7.1.2,420,2,SB98 (1a),32,524423,16,True,True,True,False,False,15,9.701846764216174e-09,63
7.1.2,421,1,SB98 (1b),32,524423,16,True,True,True,False,False,6,1.0060517794954511e-08,18
7.1.2,421,2,SB98 (1b),32,524423,16,True,True,True,False,False,15,1.3058418692703513e-06,63
7.1.2,422,1,SB98 (1c),32,524423,16,True,True,True,False,False,6,1.0339998667213111e-08,18
7.1.2,422,2,SB98 (1c),32,524423,16,True,True,True,False,False,15,6.687487966870024e-07,63
7.1.2,423,1,SB98 (2a),32,524423,16,True,True,True,False,False,6,7.003225721580402e-09,18
7.1.2,423,2,SB98 (2a),32,524423,16,True,True,True,False,False,15,3.581972747608796e-07,63
7.1.2,424,1,SB98 (2b),32,524423,16,True,True,True,False,False,6,6.0496311483778445e-09,18
7.1.2,424,2,SB98 (2b),32,524423,16,True,True,True,False,False,15,2.842303809340796e-07,63
7.1.2,425,1,SB98 (2c),32,524423,16,True,True,True,False,False,6,9.93339886262106e-09,18
7.1.2,425,2,SB98 (2c),32,524423,16,True,True,True,False,False,15,6.237523429421178e-07,63
7.1.2,426,1,Hybrid based on SOGGA11 form,32,524423,15,True,True,True,False,False,6,7.83734935856041e-11,18
7.1.2,426,2,Hybrid based on SOGGA11 form,32,524423,15,True,True,True,False,False,15,4.4651309608246925e-09,63
7.1.2,427,1,HSE03,32,524679,3,True,True,True,False,False,6,2.236132514071191e-06,18
7.1.2,427,2,HSE03,32,524679,3,True,True,True,False,False,15,5.4016832708300304e-06,63
7.1.2,428,1,HSE06,32,524679,3,True,True,True,False,False,6,2.2269028464584356e-06,18
7.1.2,428,2,HSE06,32,524679,3,True,True,True,False,False,15,5.393161347336918e-06,63
7.1.2,429,1,HJS hybrid screened exchange PBE version,32,524679,0,True,True,True,False,False,6,8.608341286003455e-11,18
7.1.2,429,2,HJS hybrid screened exchange PBE version,32,524679,0,True,True,True,False,False,15,1.0835935847526915e-09,63
7.1.2,430,1,HJS hybrid screened exchange PBE_SOL version,32,524679,0,True,True,True,False,False,6,8.339315605282287e-11,18
7.1.2,430,2,HJS hybrid screened exchange PBE_SOL version,32,524679,0,True,True,True,False,False,15,5.344385308050388e-10,63
7.1.2,431,1,HJS hybrid screened exchange B88 version,32,524679,0,True,True,True,False,False,6,8.450420023553165e-11,18
7.1.2,431,2,HJS hybrid screened exchange B88 version,32,524679,0,True,True,True,False,False,15,3.856157026956198e-09,63
7.1.2,432,1,HJS hybrid screened exchange B97x version,32,524679,0,True,True,True,False,False,6,8.2464968660211e-11,18
7.1.2,432,2,HJS hybrid screened exchange B97x version,32,524679,0,True,True,True,False,False,15,1.0601795501891867e-10,63
7.1.2,433,1,CAM version of B3LYP,32,524679,4,True,True,True,False,False,6,9.789583264905791e-11,18
7.1.2,433,2,CAM version of B3LYP,32,524679,4,True,True,True,False,False,15,5.340651112252613e-09,63
7.1.2,434,1,"CAM version of B3LYP, tuned for excitations and properties",32,524679,4,True,True,True,False,False,6,1.0597760987759741e-10,18
7.1.2,434,2,"CAM version of B3LYP, tuned for excitations and properties",32,524679,4,True,True,True,False,False,15,5.6764044372483836e-09,63
7.1.2,435,1,BHandH: 50% LDA exchange and 50% HF exchange with 100% LYP correlation,32,524423,1,True,True,True,False,False,6,6.97534768653184e-11,18
7.1.2,435,2,BHandH: 50% LDA exchange and 50% HF exchange with 100% LYP correlation,32,524423,1,True,True,True,False,False,15,5.388821961458177e-11,63
7.1.2,436,1,BHandHLYP a.k.a. BHLYP: 50% B88 exchange and 50% HF exchange with 100% LYP correlation,32,524423,1,True,True,True,False,False,6,7.38130093634185e-11,18
7.1.2,436,2,BHandHLYP a.k.a. BHLYP: 50% B88 exchange and 50% HF exchange with 100% LYP correlation,32,524423,1,True,True,True,False,False,15,5.600003119494682e-09,63
7.1.2,437,1,B3LYP with RC04 LDA,32,524423,4,True,True,True,False,False,6,9.513938763418513e-11,18
7.1.2,437,2,B3LYP with RC04 LDA,32,524423,4,True,True,True,False,False,15,6.338691113124418e-09,63
7.1.2,438,1,Minnesota M05 hybrid exchange functional,64,589959,14,True,True,True,False,False,9,3.1593048867612526e-09,30
7.1.2,438,2,Minnesota M05 hybrid exchange functional,64,589959,14,True,True,True,False,False,21,3.7053951751302455e-09,108
7.1.2,439,1,Minnesota M05-2X hybrid exchange functional,64,589959,14,True,True,True,False,False,9,5.478708331476812e-09,30
7.1.2,439,2,Minnesota M05-2X hybrid exchange functional,64,589959,14,True,True,True,False,False,21,5.050535118673674e-09,108
7.1.2,440,1,Mixture of B88 with BC95 (B1B95),64,589959,0,True,True,True,False,False,9,3.635658067320511e-10,30
7.1.2,440,2,Mixture of B88 with BC95 (B1B95),64,589959,0,True,True,True,False,False,21,6.156675691056729e-08,108
7.1.2,441,1,Mixture of B86 with BC95,64,589959,0,True,True,True,False,False,9,3.858327125247191e-10,30
7.1.2,441,2,Mixture of B86 with BC95,64,589959,0,True,True,True,False,False,21,6.222229333362168e-08,108
7.1.2,442,1,Mixture of PW86 with BC95,64,589959,0,True,True,True,False,False,9,3.937703396077899e-10,30
7.1.2,442,2,Mixture of PW86 with BC95,64,589959,0,True,True,True,False,False,21,6.694510297352646e-08,108
7.1.2,443,1,Mixture of B88 with BC95 from Zhao and Truhlar,64,589959,0,True,True,True,False,False,9,3.581195936661172e-10,30
7.1.2,443,2,Mixture of B88 with BC95 from Zhao and Truhlar,64,589959,0,True,True,True,False,False,21,6.067495159928368e-08,108
7.1.2,444,1,Minnesota M06-HF hybrid exchange functional,64,589959,19,True,True,True,False,False,9,1.5598331302957303e-08,30
7.1.2,444,2,Minnesota M06-HF hybrid exchange functional,64,589959,19,True,True,True,False,False,21,1.4807766469511512e-08,108
7.1.2,445,1,Mixture of mPW91 with BC95 from Zhao and Truhlar,64,589959,0,True,True,True,False,False,9,1.075061992814153e-09,30
7.1.2,445,2,Mixture of mPW91 with BC95 from Zhao and Truhlar,64,589959,0,True,True,True,False,False,21,6.08510295671258e-08,108
7.1.2,446,1,Mixture of mPW91 with BC95 for kinetics,64,589959,0,True,True,True,False,False,9,9.264373301709665e-10,30
7.1.2,446,2,Mixture of mPW91 with BC95 for kinetics,64,589959,0,True,True,True,False,False,21,6.01322178411672e-08,108
7.1.2,447,1,Mixture of X with BC95,64,589959,0,True,True,True,False,False,9,5.244969916124908e-10,30
7.1.2,447,2,Mixture of X with BC95,64,589959,0,True,True,True,False,False,21,6.130687591268761e-08,108
7.1.2,448,1,Mixture of X with BC95 for kinetics,64,589959,0,True,True,True,False,False,9,4.897691621992264e-10,30
7.1.2,448,2,Mixture of X with BC95 for kinetics,64,589959,0,True,True,True,False,False,21,6.050789201545882e-08,108
7.1.2,449,1,Minnesota M06 hybrid exchange functional,64,589959,19,True,True,True,False,False,9,2.019438395761797e-09,30
7.1.2,449,2,Minnesota M06 hybrid exchange functional,64,589959,19,True,True,True,False,False,21,2.7730311491040243e-09,108
7.1.2,450,1,Minnesota M06-2X hybrid exchange functional,64,589959,14,True,True,True,False,False,9,3.767000743658867e-09,30
7.1.2,450,2,Minnesota M06-2X hybrid exchange functional,64,589959,14,True,True,True,False,False,21,4.774680539102267e-09,108
7.1.2,451,1,Mixture of PW91 with BC95 from Zhao and Truhlar,64,589959,0,True,True,True,False,False,9,1.3634210678057777e-09,30
7.1.2,451,2,Mixture of PW91 with BC95 from Zhao and Truhlar,64,589959,0,True,True,True,False,False,21,5.82791065251551e-08,108
7.1.2,452,1,Mixture of PW91 with BC95 from Zhao and Truhlar for kinetics,64,589959,0,True,True,True,False,False,9,1.142426828051869e-09,30
7.1.2,452,2,Mixture of PW91 with BC95 from Zhao and Truhlar for kinetics,64,589959,0,True,True,True,False,False,21,6.889762802707137e-08,108
7.1.2,453,1,MPW with 1 par. for metals/LYP,32,524423,1,True,True,True,False,False,6,2.3399089761035654e-09,18
7.1.2,453,2,MPW with 1 par. for metals/LYP,32,524423,1,True,True,True,False,False,15,1.1709812857740559e-08,63
7.1.2,454,1,"Revised B3LYP a.k.a. OpB3LYP; B3LYP reoptimized in 6-311++G(2d,2p) basis set",32,524423,3,True,True,True,False,False,6,9.467800596705531e-11,18
7.1.2,454,2,"Revised B3LYP a.k.a. OpB3LYP; B3LYP reoptimized in 6-311++G(2d,2p) basis set",32,524423,3,True,True,True,False,False,15,6.1907202230834874e-09,63
7.1.2,455,1,CAMY version of BLYP,32,524935,0,True,True,True,False,False,6,9.491335733587417e-11,18
7.1.2,455,2,CAMY version of BLYP,32,524935,0,True,True,True,False,False,15,4.0969918328797354e-09,63
7.1.2,456,1,PBE0-1/3,32,524423,1,True,True,True,False,False,6,8.068791203529232e-11,18
7.1.2,456,2,PBE0-1/3,32,524423,1,True,True,True,False,False,15,3.8784289145513646e-10,63
7.1.2,457,1,TPSSh,64,589959,1,True,True,True,False,False,9,7.592188634745944e-11,30
7.1.2,457,2,TPSSh,64,589959,1,True,True,True,False,False,21,1.4380988031334292e-08,108
7.1.2,458,1,revTPSSh,64,589959,1,True,True,True,False,False,9,7.622635766710037e-11,30
7.1.2,458,2,revTPSSh,64,589959,1,True,True,True,False,False,21,1.1434147364055383e-08,108
7.1.2,459,1,B3LYP*,32,524423,3,True,True,True,False,False,6,9.714672920433384e-11,18
7.1.2,459,2,B3LYP*,32,524423,3,True,True,True,False,False,15,6.3313621888215956e-09,63
7.1.2,460,1,Global hybrid for vertical ionization potentials,32,524423,2,True,True,True,False,False,6,5.937587334656353e-11,18
7.1.2,460,2,Global hybrid for vertical ionization potentials,32,524423,2,True,True,True,False,False,15,3.9848284520337765e-11,63
7.1.2,461,1,B3LYP-MCM1,32,524423,6,True,True,True,False,False,6,9.496742978525356e-11,18
7.1.2,461,2,B3LYP-MCM1,32,524423,6,True,True,True,False,False,15,6.409768436949822e-09,63
7.1.2,462,1,B3LYP-MCM2,32,524423,6,True,True,True,False,False,6,9.553974740568958e-11,18
7.1.2,462,2,B3LYP-MCM2,32,524423,6,True,True,True,False,False,15,6.458675643258655e-09,63
7.1.2,463,1,wB97 range-separated functional,32,524679,18,True,True,True,False,False,6,5.374944921416475e-08,18
7.1.2,463,2,wB97 range-separated functional,32,524679,18,True,True,True,False,False,15,2.701352249515053e-07,63
7.1.2,464,1,wB97X range-separated functional,32,524679,18,True,True,True,False,False,6,1.0178572522475476e-07,18
7.1.2,464,2,wB97X range-separated functional,32,524679,18,True,True,True,False,False,15,6.370379638247031e-07,63
7.1.2,465,1,"Long-range corrected short-range hybrid PBE (LRC-wPBEh) by Rohrdanz, Martins and Herbert",32,524679,3,True,True,True,False,False,6,9.339727577505813e-11,18
7.1.2,465,2,"Long-range corrected short-range hybrid PBE (LRC-wPBEh) by Rohrdanz, Martins and Herbert",32,524679,3,True,True,True,False,False,15,1.7253868307955332e-09,63
7.1.2,466,1,wB97X-V range-separated functional,32,525703,18,True,True,True,False,False,6,1.2411101214013376e-09,18
7.1.2,466,2,wB97X-V range-separated functional,32,525703,18,True,True,True,False,False,15,8.495191638197559e-08,63
7.1.2,467,1,LCY version of PBE,32,524935,0,True,True,True,False,False,6,9.439771811687628e-11,18
7.1.2,467,2,LCY version of PBE,32,524935,0,True,True,True,False,False,15,2.1886020980219766e-10,63
7.1.2,468,1,LCY version of BLYP,32,524935,0,True,True,True,False,False,6,1.007961682866883e-10,18
7.1.2,468,2,LCY version of BLYP,32,524935,0,True,True,True,False,False,15,3.0342088648326967e-09,63
7.1.2,469,1,Vydrov and Van Voorhis,32,525703,5,True,True,True,False,False,6,1.0465101061831226e-10,18
7.1.2,469,2,Vydrov and Van Voorhis,32,525703,5,True,True,True,False,False,15,8.562709140216969e-10,63
7.1.2,470,1,CAMY version of B3LYP,32,524935,4,True,True,True,False,False,6,9.667090559536692e-11,18
7.1.2,470,2,CAMY version of B3LYP,32,524935,4,True,True,True,False,False,15,5.709256949786586e-09,63
7.1.2,471,1,wB97X-D range-separated functional,32,524679,18,True,True,True,False,False,6,1.3292974552168303e-07,18
7.1.2,471,2,wB97X-D range-separated functional,32,524679,18,True,True,True,False,False,15,2.0683289572554275e-06,63
7.1.2,472,1,hPBEint,32,540807,1,True,True,True,False,False,6,9.059202751031505e-11,18
7.1.2,472,2,hPBEint,32,540807,1,True,True,True,False,False,15,2.2880322197834062e-10,63
7.1.2,473,1,"Long-range corrected PBE (LRC-wPBE) by Rohrdanz, Martins and Herbert",32,524679,3,True,True,True,False,False,6,1.0665507411927537e-10,18
7.1.2,473,2,"Long-range corrected PBE (LRC-wPBE) by Rohrdanz, Martins and Herbert",32,524679,3,True,True,True,False,False,15,1.4446604974321822e-09,63
7.1.2,474,1,MVSh hybrid exchange functional,64,589959,0,True,True,True,False,False,9,3.0256118165336165e-10,30
7.1.2,474,2,MVSh hybrid exchange functional,64,589959,0,True,True,True,False,False,21,1.362140740744586e-09,108
7.1.2,475,1,B3LYP with VWN functional 5 instead of RPA,32,524423,3,True,True,True,False,False,6,9.505361937987765e-11,18
7.1.2,475,2,B3LYP with VWN functional 5 instead of RPA,32,524423,3,True,True,True,False,False,15,6.338691113124418e-09,63
7.1.2,476,1,EDF2,32,524423,0,True,True,True,False,False,6,9.648376763178296e-11,18
7.1.2,476,2,EDF2,32,524423,0,True,True,True,False,False,15,5.743226032114811e-09,63
7.1.2,477,1,Correct Asymptotic Potential hybrid,32,524423,0,True,True,True,False,False,6,1.8414543592260043e-10,18
7.1.2,477,2,Correct Asymptotic Potential hybrid,32,524423,0,True,True,True,False,False,15,7.172724304498737e-09,63
7.1.2,478,1,Long-range corrected PBE (LC-wPBE) by Vydrov and Scuseria,32,524679,3,True,True,True,False,False,6,1.0621250629988008e-10,18
7.1.2,478,2,Long-range corrected PBE (LC-wPBE) by Vydrov and Scuseria,32,524679,3,True,True,True,False,False,15,4.775958611139407e-09,63
7.1.2,479,1,HSE12,32,524679,3,True,True,True,False,False,6,2.209264327820041e-06,18
7.1.2,479,2,HSE12,32,524679,3,True,True,True,False,False,15,5.370285280701016e-06,63
7.1.2,480,1,HSE12 (short-range version),32,524679,3,True,True,True,False,False,6,2.2034659171254605e-06,18
7.1.2,480,2,HSE12 (short-range version),32,524679,3,True,True,True,False,False,15,5.352977532036386e-06,63
7.1.2,481,1,HSEsol,32,524679,0,True,True,True,False,False,6,8.339315605282287e-11,18
7.1.2,481,2,HSEsol,32,524679,0,True,True,True,False,False,15,5.344385308050388e-10,63
7.1.2,482,1,CAM-B3LYP retuned using ionization potentials of water,32,524679,4,True,True,True,False,False,6,9.680723853477571e-11,18
7.1.2,482,2,CAM-B3LYP retuned using ionization potentials of water,32,524679,4,True,True,True,False,False,15,3.4557858325118745e-09,63
7.1.2,483,1,mPW1LYP,32,524423,1,True,True,True,False,False,6,2.0111741664646366e-09,18
7.1.2,483,2,mPW1LYP,32,524423,1,True,True,True,False,False,15,1.0872851474568549e-08,63
7.1.2,484,1,mPW1PBE,32,524423,1,True,True,True,False,False,6,2.7575068613366693e-09,18
7.1.2,484,2,mPW1PBE,32,524423,1,True,True,True,False,False,15,1.1910620774043727e-08,63
7.1.2,485,1,Kang-Musgrave hybrid,32,524423,2,True,True,True,False,False,6,6.506807546085141e-11,18
7.1.2,485,2,Kang-Musgrave hybrid,32,524423,2,True,True,True,False,False,15,4.542279550262134e-11,63
7.1.2,486,1,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,524679,3,True,True,True,False,False,6,1.0596270092489212e-10,18
7.1.2,486,2,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,524679,3,True,True,True,False,False,15,1.0685281560733994e-09,63
7.1.2,487,1,"Long-range corrected short-range hybrid PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,524679,3,True,True,True,False,False,6,8.85139156637616e-11,18
7.1.2,487,2,"Long-range corrected short-range hybrid PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,524679,3,True,True,True,False,False,15,8.027301550260189e-10,63
7.1.2,488,1,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,524679,3,True,True,True,False,False,6,1.0465101061831226e-10,18
7.1.2,488,2,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,524679,3,True,True,True,False,False,15,8.562709140216969e-10,63
7.1.2,489,1,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,524679,3,True,True,True,False,False,6,9.97893608424258e-11,18
7.1.2,489,2,"Long-range corrected PBE (LC-wPBE) by Weintraub, Henderson and Scuseria",32,524679,3,True,True,True,False,False,15,1.0850171929380882e-10,63
7.1.2,490,1,CAM-B3LYP retuned using ionization potentials of water,32,524679,4,True,True,True,False,False,6,7.063536740847866e-11,18
7.1.2,490,2,CAM-B3LYP retuned using ionization potentials of water,32,524679,4,True,True,True,False,False,15,3.2984962065245014e-09,63
7.1.2,491,1,CAM-B3LYP retuned using ionization potentials of water,32,524679,4,True,True,True,False,False,6,9.282527928001946e-11,18
7.1.2,491,2,CAM-B3LYP retuned using ionization potentials of water,32,524679,4,True,True,True,False,False,15,3.164332654117846e-09,63
7.1.2,492,1,CAM-B3LYP retuned using ionization potentials of water,32,524679,4,True,True,True,False,False,6,1.0979800190924958e-10,18
7.1.2,492,2,CAM-B3LYP retuned using ionization potentials of water,32,524679,4,True,True,True,False,False,15,2.2750746737748884e-09,63
7.1.2,493,1,Regularized SCAN exchange by Bartok and Yates,4,589959,5,True,True,True,False,False,9,2.6176668186737673e-09,30
7.1.2,493,2,Regularized SCAN exchange by Bartok and Yates,4,589959,5,True,True,True,False,False,21,1.274111107088709e-09,108
7.1.2,494,1,Regularized SCAN correlation by Bartok and Yates,4,589959,0,True,True,True,False,False,9,3.818870043868085e-09,30
7.1.2,494,2,Regularized SCAN correlation by Bartok and Yates,4,589959,0,True,True,True,False,False,21,1.9806571650384657e-09,108
7.1.2,495,1,Swart 2012 GGA exchange,2,524423,5,True,True,True,False,False,6,1.0221521024770697e-10,18
7.1.2,495,2,Swart 2012 GGA exchange,2,524423,5,True,True,True,False,False,15,2.5565807396068404e-08,63
7.1.2,496,1,Swart 2012 hybrid GGA exchange,32,524423,6,True,True,True,False,False,6,1.4054775546970202e-10,18
7.1.2,496,2,Swart 2012 hybrid GGA exchange,32,524423,6,True,True,True,False,False,15,1.5805524371118876e-08,63
7.1.2,497,1,Re-regularized SCAN exchange by Furness et al,4,589959,6,True,True,True,False,False,9,1.6266428738711697e-09,30
7.1.2,497,2,Re-regularized SCAN exchange by Furness et al,4,589959,6,True,True,True,False,False,21,2.2769649407535226e-07,108
7.1.2,498,1,Re-regularized SCAN correlation by Furness et al,4,589959,1,True,True,True,False,False,9,3.769386949674566e-09,30
7.1.2,498,2,Re-regularized SCAN correlation by Furness et al,4,589959,1,True,True,True,False,False,21,2.0446598097735407e-09,108
7.1.2,499,1,BLYP35,32,524423,1,True,True,True,False,False,6,8.558367438242633e-11,18
7.1.2,499,2,BLYP35,32,524423,1,True,True,True,False,False,15,6.23283013989408e-09,63
7.1.2,500,1,von Weiszaecker correction to Thomas-Fermi,2,524423,2,True,True,True,False,False,6,1.2686893539535533e-10,18
7.1.2,500,2,von Weiszaecker correction to Thomas-Fermi,2,524423,2,True,True,True,False,False,15,4.376224573112623e-10,63
7.1.2,501,1,Second-order gradient expansion of the kinetic energy density,2,524423,2,True,True,True,False,False,6,1.4687557426580214e-10,18
7.1.2,501,2,Second-order gradient expansion of the kinetic energy density,2,524423,2,True,True,True,False,False,15,1.5537580061530496e-10,63
7.1.2,502,1,TF-lambda-vW form by Golden (l = 13/45),2,524423,2,True,True,True,False,False,6,1.5225723343785498e-10,18
7.1.2,502,2,TF-lambda-vW form by Golden (l = 13/45),2,524423,2,True,True,True,False,False,15,1.746292287186314e-10,63
7.1.2,503,1,TF-lambda-vW form by Yonei and Tomishima (l = 1/5),2,524423,2,True,True,True,False,False,6,1.4940323583485313e-10,18
7.1.2,503,2,TF-lambda-vW form by Yonei and Tomishima (l = 1/5),2,524423,2,True,True,True,False,False,15,1.5973790041316773e-10,63
7.1.2,504,1,TF-lambda-vW form by Baltin (l = 5/9),2,524423,2,True,True,True,False,False,6,1.6051293756585552e-10,18
7.1.2,504,2,TF-lambda-vW form by Baltin (l = 5/9),2,524423,2,True,True,True,False,False,15,2.442158267269409e-10,63
7.1.2,505,1,TF-lambda-vW form by Lieb (l = 0.185909191),2,524423,2,True,True,True,False,False,6,1.4888788033572778e-10,18
7.1.2,505,2,TF-lambda-vW form by Lieb (l = 0.185909191),2,524423,2,True,True,True,False,False,15,1.5753355300275557e-10,63
7.1.2,506,1,gamma-TFvW form by Acharya et al [$g = 1 - 1.412/N^{1/3}$],2,524423,1,True,True,True,False,False,6,5.3401736566944226e-11,18
7.1.2,506,2,gamma-TFvW form by Acharya et al [$g = 1 - 1.412/N^{1/3}$],2,524423,1,True,True,True,False,False,15,2.691646188130953e-10,63
7.1.2,507,1,gamma-TFvW form by Acharya et al [$g = 1 - 1.332/N^{1/3}$],2,524423,1,True,True,True,False,False,6,3.6469829837401375e-11,18
7.1.2,507,2,gamma-TFvW form by Acharya et al [$g = 1 - 1.332/N^{1/3}$],2,524423,1,True,True,True,False,False,15,2.94470494137331e-10,63
7.1.2,508,1,gamma-TFvW form by Gazquez and Robles,2,524423,1,True,True,True,False,False,6,1.501767538323212e-10,18
7.1.2,508,2,gamma-TFvW form by Gazquez and Robles,2,524423,1,True,True,True,False,False,15,4.735548084361637e-10,63
7.1.2,509,1,gamma-TFvW form by Ludena,2,524423,1,True,True,True,False,False,6,1.2686893539535533e-10,18
7.1.2,509,2,gamma-TFvW form by Ludena,2,524423,1,True,True,True,False,False,15,4.376224573112623e-10,63
7.1.2,510,1,gamma-TFvW form by Ghosh and Parr,2,524423,1,True,True,True,False,False,6,1.2686893539535533e-10,18
7.1.2,510,2,gamma-TFvW form by Ghosh and Parr,2,524423,1,True,True,True,False,False,15,4.376224573112623e-10,63
7.1.2,511,1,Pearson 1992,2,524423,0,True,True,True,False,False,6,1.4684978366074182e-10,18
7.1.2,511,2,Pearson 1992,2,524423,0,True,True,True,False,False,15,1.942280655164662e-09,63
7.1.2,512,1,Ou-Yang and Levy v.1,2,524423,0,True,True,True,False,False,6,1.4505528281902698e-09,18
7.1.2,512,2,Ou-Yang and Levy v.1,2,524423,0,True,True,True,False,False,15,1.0077852585841226e-08,63
7.1.2,513,1,Ou-Yang and Levy v.2,2,524423,0,True,True,True,False,False,6,3.703493224404915e-09,18
7.1.2,513,2,Ou-Yang and Levy v.2,2,524423,0,True,True,True,False,False,15,1.0886376549323718e-08,63
7.1.2,514,1,Fuentealba & Reyes (B88 version),2,524423,0,True,True,True,False,False,6,1.4785255891363554e-10,18
7.1.2,514,2,Fuentealba & Reyes (B88 version),2,524423,0,True,True,True,False,False,15,7.920498889573547e-09,63
7.1.2,515,1,Fuentealba & Reyes (PW86 version),2,524423,0,True,True,True,False,False,6,1.4696416042471059e-10,18
7.1.2,515,2,Fuentealba & Reyes (PW86 version),2,524423,0,True,True,True,False,False,15,2.2416409533682788e-08,63
7.1.2,516,1,DePristo and Kress,2,524423,10,True,True,True,False,False,6,1.4742635614146318e-10,18
7.1.2,516,2,DePristo and Kress,2,524423,10,True,True,True,False,False,15,5.67831325116145e-09,63
7.1.2,517,1,Perdew,2,524423,10,True,True,True,False,False,6,1.4683386603069426e-10,18
7.1.2,517,2,Perdew,2,524423,10,True,True,True,False,False,15,1.5523536561701457e-10,63
7.1.2,518,1,"Vitos, Skriver, and Kollar",2,524423,10,True,True,True,False,False,6,1.4691300000820836e-10,18
7.1.2,518,2,"Vitos, Skriver, and Kollar",2,524423,10,True,True,True,False,False,15,5.943297945979872e-10,63
7.1.2,519,1,"Vitos, Johansson, Kollar, and Skriver",2,524423,10,True,True,True,False,False,6,1.477663282021054e-10,18
7.1.2,519,2,"Vitos, Johansson, Kollar, and Skriver",2,524423,10,True,True,True,False,False,15,1.7438378328236614e-09,63
7.1.2,520,1,Ernzerhof,2,524423,10,True,True,True,False,False,6,1.4718002182177693e-10,18
7.1.2,520,2,Ernzerhof,2,524423,10,True,True,True,False,False,15,1.5522213825787967e-10,63
7.1.2,521,1,Lembarki & Chermette,2,524423,7,True,True,True,False,False,6,1.4185656325294738e-09,18
7.1.2,521,2,Lembarki & Chermette,2,524423,7,True,True,True,False,False,15,8.898587325701663e-09,63
7.1.2,522,1,"Lee, Lee & Parr",2,524423,0,True,True,True,False,False,6,1.4727751230503305e-10,18
7.1.2,522,2,"Lee, Lee & Parr",2,524423,0,True,True,True,False,False,15,7.00529573886955e-09,63
7.1.2,523,1,Thakkar 1992,2,524423,0,True,True,True,False,False,6,1.084282182488382e-08,18
7.1.2,523,2,Thakkar 1992,2,524423,0,True,True,True,False,False,15,3.214801079110789e-08,63
7.1.2,524,1,short-range part of the PBE (default w=0 gives PBEh),2,524423,1,True,True,True,False,False,6,2.0650659091963865e-06,18
7.1.2,524,2,short-range part of the PBE (default w=0 gives PBEh),2,524423,1,True,True,True,False,False,15,5.088638173040324e-06,63
7.1.2,525,1,HJS screened exchange PBE version,2,524423,16,True,True,True,False,False,6,1.1031815252604462e-10,18
7.1.2,525,2,HJS screened exchange PBE version,2,524423,16,True,True,True,False,False,15,1.9117844914755634e-09,63
7.1.2,526,1,HJS screened exchange PBE_SOL version,2,524423,16,True,True,True,False,False,6,1.0804854024107321e-10,18
7.1.2,526,2,HJS screened exchange PBE_SOL version,2,524423,16,True,True,True,False,False,15,6.81200878855369e-10,63
7.1.2,527,1,HJS screened exchange B88 version,2,524423,16,True,True,True,False,False,6,1.0936996600953271e-10,18
7.1.2,527,2,HJS screened exchange B88 version,2,524423,16,True,True,True,False,False,15,6.292185402338013e-10,63
7.1.2,528,1,HJS screened exchange B97x version,2,524423,16,True,True,True,False,False,6,1.0762817115475449e-10,18
7.1.2,528,2,HJS screened exchange B97x version,2,524423,16,True,True,True,False,False,15,3.870363289464976e-10,63
7.1.2,529,1,Short-range recipe for B88 functional - erf,2,524423,1,True,True,True,False,False,6,1.1179692848273564e-10,18
7.1.2,529,2,Short-range recipe for B88 functional - erf,2,524423,1,True,True,True,False,False,15,4.811498755160599e-09,63
7.1.2,530,1,Short-range recipe for B88 functional - Yukawa,2,524423,1,True,True,True,False,False,6,1.0806264658405126e-10,18
7.1.2,530,2,Short-range recipe for B88 functional - Yukawa,2,524423,1,True,True,True,False,False,15,3.971002813091121e-09,63
7.1.2,531,1,wB97M-V exchange-correlation functional,64,591239,17,True,True,True,False,False,9,1.944663473690269e-09,30
7.1.2,531,2,wB97M-V exchange-correlation functional,64,591239,17,True,True,True,False,False,21,5.166732535821424e-08,108
7.1.2,532,1,Slater exchange with relativistic corrections,1,524423,0,True,True,True,False,False,3,1.0018872448917104e-10,9
7.1.2,532,2,Slater exchange with relativistic corrections,1,524423,0,True,True,True,False,False,6,1.0631564635651203e-10,18
7.1.2,533,1,Semiclassical GGA at fourth order,2,524423,0,True,True,True,False,False,6,1.0705799730731557e-10,18
7.1.2,533,2,Semiclassical GGA at fourth order,2,524423,0,True,True,True,False,False,15,3.0566463703549005e-09,63
7.1.2,534,1,Semiclassical GGA at fourth order,2,524423,0,True,True,True,False,False,6,3.287959320477949e-10,18
7.1.2,534,2,Semiclassical GGA at fourth order,2,524423,0,True,True,True,False,False,15,1.1357778187858974e-09,63
7.1.2,535,1,Gilbert and Gill 1999,2,524423,0,True,True,True,False,False,6,1.0735272654599658e-10,18
7.1.2,535,2,Gilbert and Gill 1999,2,524423,0,True,True,True,False,False,15,1.340529347813644e-10,63
7.1.2,536,1,LDA constructed from slab-like systems of 1 electron,1,524327,0,True,True,True,False,False,3,1.6503268138973526e-10,9
7.1.2,536,2,LDA constructed from slab-like systems of 1 electron,1,524327,0,True,True,True,False,False,6,8.159880605250319e-11,18
7.1.2,537,1,LDA constructed from slab-like systems of 2 electrons,1,524327,0,True,True,True,False,False,3,1.5173144639409598e-10,9
7.1.2,537,2,LDA constructed from slab-like systems of 2 electrons,1,524327,0,True,True,True,False,False,6,7.490300690244612e-11,18
7.1.2,538,1,LDA constructed from slab-like systems of 3 electrons,1,524327,0,True,True,True,False,False,3,1.5422849951407707e-10,9
7.1.2,538,2,LDA constructed from slab-like systems of 3 electrons,1,524327,0,True,True,True,False,False,6,7.597792904832902e-11,18
7.1.2,539,1,PBE power,2,524423,0,True,True,True,False,False,6,1.062725205905209e-10,18
7.1.2,539,2,PBE power,2,524423,0,True,True,True,False,False,15,1.364212834150413e-10,63
7.1.2,540,1,Tao and Mo 2016 exchange,4,589959,0,True,True,True,False,False,9,2.761913110801273e-10,30
7.1.2,540,2,Tao and Mo 2016 exchange,4,589959,0,True,True,True,False,False,21,1.4323302703410802e-09,108
7.1.2,541,1,"meta-GGA version of VT{8,4} GGA",4,589959,0,True,True,True,False,False,9,8.862901051628895e-11,30
7.1.2,541,2,"meta-GGA version of VT{8,4} GGA",4,589959,0,True,True,True,False,False,21,1.678048573009899e-08,108
7.1.2,542,1,TPSS with correct surface asymptotics,4,721031,0,True,True,True,False,False,9,8.840292977858703e-11,30
7.1.2,542,2,TPSS with correct surface asymptotics,4,721031,0,True,True,True,False,False,21,2.0173296174257732e-08,108
7.1.2,543,1,Perdew and Constantin 2007,4,557191,2,True,True,True,False,False,9,1.4671703822332803e-10,30
7.1.2,543,2,Perdew and Constantin 2007,4,557191,2,True,True,True,False,False,21,1.888617398809557e-10,108
7.1.2,544,1,Gilbert and Gill 1999 (mixed),2,524423,0,True,True,True,False,False,6,1.0525864944027996e-10,18
7.1.2,544,2,Gilbert and Gill 1999 (mixed),2,524423,0,True,True,True,False,False,15,1.32551714356669e-10,63
7.1.2,545,1,high local exchange 2016,2,524423,15,True,True,True,False,False,6,1.1305221685669125e-08,18
7.1.2,545,2,high local exchange 2016,2,524423,15,True,True,True,False,False,15,1.973911312574783e-07,63
7.1.2,546,1,Short-range LDA exchange with error function kernel (erfc),1,524423,1,True,True,True,False,False,3,1.1038506404568192e-10,9
7.1.2,546,2,Short-range LDA exchange with error function kernel (erfc),1,524423,1,True,True,True,False,False,6,1.1750470888705682e-10,18
7.1.2,547,1,Lee-Parr reparametrization A,1,524423,2,True,True,True,False,False,3,1.0735641859213089e-10,9
7.1.2,547,2,Lee-Parr reparametrization A,1,524423,2,True,True,True,False,False,6,3.832673108421836e-10,18
7.1.2,548,1,Lee-Parr reparametrization B,1,524423,2,True,True,True,False,False,3,1.0887693527597193e-10,9
7.1.2,548,2,Lee-Parr reparametrization B,1,524423,2,True,True,True,False,False,6,3.9509195112187227e-10,18
7.1.2,549,1,Rae self-energy corrected exchange,1,524423,1,True,True,True,False,False,3,1.23498682715054e-11,9
7.1.2,549,2,Rae self-energy corrected exchange,1,524423,1,True,True,True,False,False,6,1.3734344292894074e-11,18
7.1.2,550,1,Wigner including kinetic energy contribution,1,524423,0,True,True,True,False,False,3,1.6130884034757678e-10,9
7.1.2,550,2,Wigner including kinetic energy contribution,1,524423,0,True,True,True,False,False,6,1.6757784343472762e-10,18
7.1.2,551,1,McWeeny 76,1,524423,2,True,True,True,False,False,3,1.3819835144868046e-11,9
7.1.2,551,2,McWeeny 76,1,524423,2,True,True,True,False,False,6,1.058553595680288e-10,18
7.1.2,552,1,Brual & Rothstein 78,1,524423,2,True,True,True,False,False,3,9.023667273964119e-12,9
7.1.2,552,2,Brual & Rothstein 78,1,524423,2,True,True,True,False,False,6,2.914137284432611e-11,18
7.1.2,553,1,GGA component of SCAN,2,524423,0,True,True,True,False,False,6,5.303876277296272e-11,18
7.1.2,553,2,GGA component of SCAN,2,524423,0,True,True,True,False,False,15,2.3450915428494864e-10,63
7.1.2,554,1,Proynov and Kong 2009,1,524423,0,True,True,True,False,False,3,2.317234312074149e-11,9
7.1.2,554,2,Proynov and Kong 2009,1,524423,0,True,True,True,False,False,6,6.96446855227665e-11,18
7.1.2,555,1,GapC,2,524423,0,True,True,True,False,False,6,1.83811282373023e-11,18
7.1.2,555,2,GapC,2,524423,0,True,True,True,False,False,15,9.502191130107659e-11,63
7.1.2,556,1,Gaploc,2,524423,0,True,True,True,False,False,6,1.1336523506742851e-11,18
7.1.2,556,2,Gaploc,2,524423,0,True,True,True,False,False,15,4.235721124878103e-11,63
7.1.2,557,1,another spin-dependent correction to PBEint,2,524423,0,True,True,True,False,False,6,5.595547049947553e-12,18
7.1.2,557,2,another spin-dependent correction to PBEint,2,524423,0,True,True,True,False,False,15,4.91388001154366e-11,63
7.1.2,558,1,another spin-dependent correction to PBEsol,2,524423,0,True,True,True,False,False,6,4.280737677575561e-12,18
7.1.2,558,2,another spin-dependent correction to PBEsol,2,524423,0,True,True,True,False,False,15,4.905394995750692e-11,63
7.1.2,559,1,"Thakkar and McCarthy reparametrization, also known as reLYP",2,524423,4,True,True,True,False,False,6,5.356760556316059e-12,18
7.1.2,559,2,"Thakkar and McCarthy reparametrization, also known as reLYP",2,524423,4,True,True,True,False,False,15,1.3291955924661012e-10,63
7.1.2,560,1,Thakkar and McCarthy reparametrization,2,524423,4,True,True,True,False,False,6,9.503063999031536e-11,18
7.1.2,560,2,Thakkar and McCarthy reparametrization,2,524423,4,True,True,True,False,False,15,4.389385170184103e-10,63
7.1.2,561,1,Wilson 94 (Eq. 25),2,524423,0,True,True,True,False,False,6,1.3848938712664311e-09,18
7.1.2,561,2,Wilson 94 (Eq. 25),2,524423,0,True,True,True,False,False,15,4.783731550419178e-09,63
7.1.2,562,1,"Krieger, Chen, Iafrate, and Savin",4,589959,0,True,True,True,False,False,9,7.963796168093448e-10,30
7.1.2,562,2,"Krieger, Chen, Iafrate, and Savin",4,589959,0,True,True,True,False,False,21,3.1285325046503165e-09,108
7.1.2,563,1,Hybrid based on KCIS,64,589959,0,True,True,True,False,False,9,9.834600300498862e-10,30
7.1.2,563,2,Hybrid based on KCIS,64,589959,0,True,True,True,False,False,21,5.8600955162727725e-09,108
7.1.2,564,1,"Lee & Parr, Eq. (60)",4,557191,3,True,True,True,False,False,9,1.0836415601822753e-10,30
7.1.2,564,2,"Lee & Parr, Eq. (60)",4,557191,3,True,True,True,False,False,21,5.366154135745037e-11,108
7.1.2,565,1,A dynamical correlation functional,2,524423,0,True,True,True,False,False,6,7.741729828807199e-12,18
7.1.2,565,2,A dynamical correlation functional,2,524423,0,True,True,True,False,False,15,1.4708282254513354e-09,63
7.1.2,566,1,MPW1KCIS for barrier heights,64,589959,0,True,True,True,False,False,9,4.079892285541061e-09,30
7.1.2,566,2,MPW1KCIS for barrier heights,64,589959,0,True,True,True,False,False,21,1.1576022792843162e-08,108
7.1.2,567,1,MPWKCIS1K for barrier heights,64,589959,0,True,True,True,False,False,9,2.7865127820843906e-09,30
7.1.2,567,2,MPWKCIS1K for barrier heights,64,589959,0,True,True,True,False,False,21,9.94455470818797e-09,108
7.1.2,568,1,PBE1KCIS for binding energies,64,589959,0,True,True,True,False,False,9,1.0151964139654241e-09,30
7.1.2,568,2,PBE1KCIS for binding energies,64,589959,0,True,True,True,False,False,21,3.1285325046503165e-09,108
7.1.2,569,1,TPSS1KCIS for thermochemistry and kinetics,64,589959,0,True,True,True,False,False,9,7.780622925246631e-10,30
7.1.2,569,2,TPSS1KCIS for thermochemistry and kinetics,64,589959,0,True,True,True,False,False,21,9.70490089896314e-09,108
7.1.2,570,1,Becke 88 reoptimized to be used with tau1,2,524423,2,True,True,True,False,False,6,1.0720765803184359e-10,18
7.1.2,570,2,Becke 88 reoptimized to be used with tau1,2,524423,2,True,True,True,False,False,15,7.335653776777433e-09,63
7.1.2,571,1,Meta-GGA correlation by Becke,4,589959,0,True,True,True,False,False,9,5.5849791234453535e-11,30
7.1.2,571,2,Meta-GGA correlation by Becke,4,589959,0,True,True,True,False,False,21,5.0968152759804335e-09,108
7.1.2,572,1,B5050LYP,32,524423,3,True,True,True,False,False,6,7.337899928242691e-11,18
7.1.2,572,2,B5050LYP,32,524423,3,True,True,True,False,False,15,5.02522140950409e-09,63
7.1.2,573,1,Wigner with corresponding LYP parameters,1,524423,2,True,True,True,False,False,3,7.065918028510105e-12,9
7.1.2,573,2,Wigner with corresponding LYP parameters,1,524423,2,True,True,True,False,False,6,4.9007569275186304e-11,18
7.1.2,574,1,Optimized Wigner,1,524423,2,True,True,True,False,False,3,7.504781348573308e-12,9
7.1.2,574,2,Optimized Wigner,1,524423,2,True,True,True,False,False,6,5.231155269831604e-11,18
7.1.2,575,1,GX functional of Loos,4,589959,3,True,True,True,False,False,9,1.5280616946991052e-10,30
7.1.2,575,2,GX functional of Loos,4,589959,3,True,True,True,False,False,21,1.8409727753916833e-10,108
7.1.2,576,1,PBE-GX functional of Loos,4,589959,0,True,True,True,False,False,9,1.5163917289053274e-10,30
7.1.2,576,2,PBE-GX functional of Loos,4,589959,0,True,True,True,False,False,21,1.824859116721407e-10,108
7.1.2,577,1,"Groth, Dornheim, Sjostrom, Malone, Foulkes, Bonitz",1,524423,1,True,True,True,False,False,3,9.9983322395039e-11,9
7.1.2,577,2,"Groth, Dornheim, Sjostrom, Malone, Foulkes, Bonitz",1,524423,1,True,True,True,False,False,6,9.015562298756114e-11,18
7.1.2,578,1,Gordon and Kim 1972,1,524423,0,True,True,True,False,False,3,9.802177061167256e-12,9
7.1.2,578,2,Gordon and Kim 1972,1,524423,0,True,True,True,False,False,6,4.862053867914932e-12,18
7.1.2,579,1,Karasiev reparameterization of Chachiyo,1,524423,6,True,True,True,False,False,3,1.1093843821984935e-11,9
7.1.2,579,2,Karasiev reparameterization of Chachiyo,1,524423,6,True,True,True,False,False,6,4.08097088135897e-11,18
7.1.2,580,1,Liu-Parr kinetic,1,524423,4,True,True,True,False,False,3,1.1637925022391649e-11,9
7.1.2,580,2,Liu-Parr kinetic,1,524423,4,True,True,True,False,False,6,5.8247955105253836e-12,18
7.1.2,581,1,revised SCAN,4,589959,4,True,True,True,False,False,9,1.7877335645393316e-09,30
7.1.2,581,2,revised SCAN,4,589959,4,True,True,True,False,False,21,8.641403598658528e-10,108
7.1.2,582,1,revised SCAN,4,589959,0,True,True,True,False,False,9,1.7649796819842639e-09,30
7.1.2,582,2,revised SCAN,4,589959,0,True,True,True,False,False,21,6.395878320746589e-10,108
7.1.2,583,1,revised SCAN hybrid exchange (SCAN0),64,589959,1,True,True,True,False,False,9,1.5702223361485491e-09,30
7.1.2,583,2,revised SCAN hybrid exchange (SCAN0),64,589959,1,True,True,True,False,False,21,7.303796749204975e-10,108
7.1.2,584,1,SCAN + VV10 correlation,4,590983,0,True,True,True,False,False,9,1.473060660592694e-09,30
7.1.2,584,2,SCAN + VV10 correlation,4,590983,0,True,True,True,False,False,21,4.073029721775997e-10,108
7.1.2,585,1,REVSCAN + VV10 correlation,4,590983,0,True,True,True,False,False,9,1.7649796819842639e-09,30
7.1.2,585,2,REVSCAN + VV10 correlation,4,590983,0,True,True,True,False,False,21,6.395878320746589e-10,108
7.1.2,586,1,"Becke-Roussel 89 with an explicit inversion of x(y), gamma = 0.8",4,622727,1,True,True,True,False,False,12,3.5249188072061337e-10,45
7.1.2,586,2,"Becke-Roussel 89 with an explicit inversion of x(y), gamma = 0.8",4,622727,1,True,True,True,False,False,27,3.7793436387137953e-10,165
7.1.2,587,1,"Keal and Tozer, version 3",2,524423,0,True,True,True,False,False,6,1.0428190304683504e-10,18
7.1.2,587,2,"Keal and Tozer, version 3",2,524423,0,True,True,True,False,False,15,5.219278202146944e-09,63
7.1.2,588,1,"Baer and Neuhauser, gamma=1",128,524935,1,True,True,True,False,False,3,1.0067614276643773e-10,9
7.1.2,588,2,"Baer and Neuhauser, gamma=1",128,524935,1,True,True,True,False,False,6,8.671435566133063e-11,18
7.1.2,589,1,"Livshits and Baer, empirical functional also used for IP tuning",32,524679,2,True,True,True,False,False,6,1.0170959326034382e-10,18
7.1.2,589,2,"Livshits and Baer, empirical functional also used for IP tuning",32,524679,2,True,True,True,False,False,15,9.149698589114032e-11,63
7.1.2,590,1,Long-range LDA correlation functional,1,540807,1,True,True,True,False,False,3,3.7466928211673245e-12,9
7.1.2,590,2,Long-range LDA correlation functional,1,540807,1,True,True,True,False,False,6,2.7724784825036458e-11,18
7.1.2,591,1,Combined analytical theory with Monte Carlo sampling,2,524423,5,True,True,True,False,False,6,2.878963246749505e-10,18
7.1.2,591,2,Combined analytical theory with Monte Carlo sampling,2,524423,5,True,True,True,False,False,15,5.940925945565878e-10,63
7.1.2,592,1,As GDS08 but for an electron gas with spin,2,524423,5,True,True,True,False,False,6,1.8078633593508745e-10,18
7.1.2,592,2,As GDS08 but for an electron gas with spin,2,524423,5,True,True,True,False,False,15,3.196904869824232e-10,63
7.1.2,593,1,Reparametrized GHDS10,2,524423,5,True,True,True,False,False,6,1.7173436631787694e-10,18
7.1.2,593,2,Reparametrized GHDS10,2,524423,5,True,True,True,False,False,15,3.5232392452037746e-10,63
7.1.2,594,1,"Trickey, Karasiev, and Vela",2,524423,5,True,True,True,False,False,6,1.7279093995377966e-10,18
7.1.2,594,2,"Trickey, Karasiev, and Vela",2,524423,5,True,True,True,False,False,15,3.5655620360250845e-10,63
7.1.2,595,1,Three parameter PBE-like expansion,2,524423,4,True,True,True,False,False,6,7.106927997255006e-09,18
7.1.2,595,2,Three parameter PBE-like expansion,2,524423,4,True,True,True,False,False,15,3.690720412690767e-07,63
7.1.2,596,1,Four parameter PBE-like expansion,2,524423,4,True,True,True,False,False,6,2.330235456538664e-09,18
7.1.2,596,2,Four parameter PBE-like expansion,2,524423,4,True,True,True,False,False,15,1.4272648768326814e-06,63
7.1.2,597,1,Intermediate form between PBE3 and PBE4,2,524423,0,True,True,True,False,False,6,2.684002092582601e-07,18
7.1.2,597,2,Intermediate form between PBE3 and PBE4,2,524423,0,True,True,True,False,False,15,6.249041745751746e-07,63
7.1.2,598,1,Becke 98,64,622727,0,True,True,True,False,False,12,1.5012423672590267e-09,45
7.1.2,598,2,Becke 98,64,622727,0,True,True,True,False,False,27,8.976762936727196e-10,165
7.1.2,599,1,Neural network LDA from Tozer et al,1,524422,0,False,True,True,False,False,0,0,6
7.1.2,599,2,Neural network LDA from Tozer et al,1,524422,0,False,True,True,False,False,0,0,15
7.1.2,600,1,Exchange in 1D for an exponentially screened interaction,1,524327,1,True,True,True,False,False,3,1.2809015691049037e-10,9
7.1.2,600,2,Exchange in 1D for an exponentially screened interaction,1,524327,1,True,True,True,False,False,6,1.343221564344221e-10,18
7.1.2,601,1,Short-range recipe for PBE functional - Yukawa,2,524423,1,True,True,True,False,False,6,1.0767707258588615e-10,18
7.1.2,601,2,Short-range recipe for PBE functional - Yukawa,2,524423,1,True,True,True,False,False,15,3.032944137461465e-10,63
7.1.2,602,1,"Becke-Roussel 89 with an explicit inversion of x(y), gamma = 1.0",4,622727,1,True,True,True,False,False,12,2.400364627912949e-10,45
7.1.2,602,2,"Becke-Roussel 89 with an explicit inversion of x(y), gamma = 1.0",4,622727,1,True,True,True,False,False,27,4.137330940968979e-10,165
7.1.2,603,1,Regularized TPSS,4,589959,0,True,True,True,False,False,9,1.0386457446805684e-10,30
7.1.2,603,2,Regularized TPSS,4,589959,0,True,True,True,False,False,21,1.0802225918980292e-08,108
7.1.2,604,1,Functional derivative recovered from the stray LB94 potential,2,524423,1,True,True,True,False,False,6,1.9712902696722236e-10,18
7.1.2,604,2,Functional derivative recovered from the stray LB94 potential,2,524423,1,True,True,True,False,False,15,7.300227006785398e-09,63
7.1.2,605,1,Revised FD_LB94,2,524423,1,True,True,True,False,False,6,1.0528833670452873e-10,18
7.1.2,605,2,Revised FD_LB94,2,524423,1,True,True,True,False,False,15,2.022479422902142e-10,63
7.1.2,606,1,PBEloc variation with enhanced compatibility with exact exchange,2,524423,0,True,True,True,False,False,6,1.4597253232500667e-11,18
7.1.2,606,2,PBEloc variation with enhanced compatibility with exact exchange,2,524423,0,True,True,True,False,False,15,1.8608870068463816e-10,63
7.1.2,607,1,Hybrid based on APBE,32,524423,0,True,True,True,False,False,6,8.648549135065272e-11,18
7.1.2,607,2,Hybrid based on APBE,32,524423,0,True,True,True,False,False,15,6.141880295299763e-10,63
7.1.2,608,1,Hybrid based in APBE and zvPBEloc,32,524423,0,True,True,True,False,False,6,9.01757896454427e-11,18
7.1.2,608,2,Hybrid based in APBE and zvPBEloc,32,524423,0,True,True,True,False,False,15,6.128346588408765e-10,63
7.1.2,609,1,JS17 meta-GGA for 2D,4,589895,0,True,True,True,False,False,9,2.066283839795097e-08,30
7.1.2,609,2,JS17 meta-GGA for 2D,4,589895,0,True,True,True,False,False,21,8.748077424683762e-08,108
7.1.2,610,1,"Similar to CAM-B3LYP, but trying to reduce the many-electron self-interaction",32,524679,4,True,True,True,False,False,6,1.0162766607089217e-10,18
7.1.2,610,2,"Similar to CAM-B3LYP, but trying to reduce the many-electron self-interaction",32,524679,4,True,True,True,False,False,15,3.911961328882959e-09,63
7.1.2,611,1,hybrid fitted to carbon NMR shifts,32,524423,0,True,True,True,False,False,6,9.334054674264653e-11,18
7.1.2,611,2,hybrid fitted to carbon NMR shifts,32,524423,0,True,True,True,False,False,15,6.603347329806963e-09,63
7.1.2,612,1,hybrid fitted to proton NMR shifts,32,524423,0,True,True,True,False,False,6,1.0421347143304407e-10,18
7.1.2,612,2,hybrid fitted to proton NMR shifts,32,524423,0,True,True,True,False,False,15,6.507844372255623e-09,63
7.1.2,613,1,Luo-Karasiev-Trickey GGA kinetic,2,524423,1,True,True,True,False,False,6,1.5962147082652874e-10,18
7.1.2,613,2,Luo-Karasiev-Trickey GGA kinetic,2,524423,1,True,True,True,False,False,15,2.6367940511100797e-09,63
7.1.2,614,1,"CAM version of B3LYP, tuned for TDDFT",32,524679,4,True,True,True,False,False,6,9.738580200478363e-11,18
7.1.2,614,2,"CAM version of B3LYP, tuned for TDDFT",32,524679,4,True,True,True,False,False,15,5.8564776587388055e-09,63
7.1.2,615,1,Long-range corrected short-range hybrid PBE (whPBE0) by Shao et al,32,524679,3,True,True,True,False,False,6,4.1144795601015515e-11,18
7.1.2,615,2,Long-range corrected short-range hybrid PBE (whPBE0) by Shao et al,32,524679,3,True,True,True,False,False,15,6.524715696413229e-10,63
7.1.2,616,1,Three parameter PBE-like expansion,2,524423,4,True,True,True,False,False,6,1.795350553404928e-10,18
7.1.2,616,2,Three parameter PBE-like expansion,2,524423,4,True,True,True,False,False,15,6.525608581066805e-10,63
7.1.2,617,1,L0.4 by Laricchia et al,4,557191,1,True,True,True,False,False,9,1.4670180328137493e-10,30
7.1.2,617,2,L0.4 by Laricchia et al,4,557191,1,True,True,True,False,False,21,2.4405770491539994e-10,108
7.1.2,618,1,L0.6 by Laricchia et al,4,557191,1,True,True,True,False,False,9,1.4691244125140363e-10,30
7.1.2,618,2,L0.6 by Laricchia et al,4,557191,1,True,True,True,False,False,21,1.5469101374969666e-10,108
7.1.2,619,1,VT84F by Karasiev et al,2,524423,2,True,True,True,False,False,6,1.502485845517301e-09,18
7.1.2,619,2,VT84F by Karasiev et al,2,524423,2,True,True,True,False,False,15,8.07268353568842e-08,63
7.1.2,620,1,LGAP by Constantin et al,2,524423,4,True,True,True,False,False,6,1.2461604617107401e-09,18
7.1.2,620,2,LGAP by Constantin et al,2,524423,4,True,True,True,False,False,15,7.1655908932000895e-09,63
7.1.2,621,1,Reduced derivative approximation by Karasiev et al,4,557191,10,True,True,True,False,False,9,6.906742297869145e-10,30
7.1.2,621,2,Reduced derivative approximation by Karasiev et al,4,557191,10,True,True,True,False,False,21,1.0627411211119629e-07,108
7.1.2,622,1,Short-range recipe for OPTX functional,2,524423,4,True,True,True,False,False,6,8.294990714800575e-08,18
7.1.2,622,2,Short-range recipe for OPTX functional,2,524423,4,True,True,True,False,False,15,6.336810540990543e-07,63
7.1.2,623,1,Short-range recipe for PBE functional,2,524423,3,True,True,True,False,False,6,1.126694651213972e-10,18
7.1.2,623,2,Short-range recipe for PBE functional,2,524423,3,True,True,True,False,False,15,2.911737187347761e-10,63
7.1.2,624,1,"Short-range LYP by Ai, Fang, and Su",2,524423,7,True,True,True,False,False,6,9.848705490017282e-12,18
7.1.2,624,2,"Short-range LYP by Ai, Fang, and Su",2,524423,7,True,True,True,False,False,15,6.802757964020844e-11,63
7.1.2,625,1,LC version of BLYP for electron affinities,32,524679,1,True,True,True,False,False,6,1.1188857322159238e-10,18
7.1.2,625,2,LC version of BLYP for electron affinities,32,524679,1,True,True,True,False,False,15,4.376316354857317e-09,63
7.1.2,626,1,Regularized Tao and Mo exchange,4,589959,0,True,True,True,False,False,9,2.701367628577407e-10,30
7.1.2,626,2,Regularized Tao and Mo exchange,4,589959,0,True,True,True,False,False,21,8.401479373011567e-09,108
7.1.2,627,1,Second-order gradient expansion,4,557191,0,True,True,True,False,False,9,1.4687547027297154e-10,30
7.1.2,627,2,Second-order gradient expansion,4,557191,0,True,True,True,False,False,21,1.5498924896465095e-10,108
7.1.2,628,1,Fourth-order gradient expansion,4,557191,0,True,True,True,False,False,9,1.4688119131546793e-10,30
7.1.2,628,2,Fourth-order gradient expansion,4,557191,0,True,True,True,False,False,21,1.5465962213478553e-10,108
7.1.2,629,1,"mGGA-rev functional by Cancio, Stewart, and Kuna (a=1)",4,557191,1,True,True,True,False,False,9,1.4687536628014088e-10,30
7.1.2,629,2,"mGGA-rev functional by Cancio, Stewart, and Kuna (a=1)",4,557191,1,True,True,True,False,False,21,1.085326478903691e-07,108
7.1.2,630,1,"mGGA-rev functional by Cancio, Stewart, and Kuna (a=4)",4,557191,1,True,True,True,False,False,9,1.4687536628014088e-10,30
7.1.2,630,2,"mGGA-rev functional by Cancio, Stewart, and Kuna (a=4)",4,557191,1,True,True,True,False,False,21,1.5440946508799944e-10,108
7.1.2,631,1,"mGGAloc-rev functional by Cancio, Stewart, and Kuna (a=1)",4,557191,3,True,True,True,False,False,9,1.384695918605184e-10,30
7.1.2,631,2,"mGGAloc-rev functional by Cancio, Stewart, and Kuna (a=1)",4,557191,3,True,True,True,False,False,21,2.859157112495209e-07,108
7.1.2,632,1,"mGGAloc-rev functional by Cancio, Stewart, and Kuna (a=4)",4,557191,3,True,True,True,False,False,9,1.384695918605184e-10,30
7.1.2,632,2,"mGGAloc-rev functional by Cancio, Stewart, and Kuna (a=4)",4,557191,3,True,True,True,False,False,21,1.4585918776872154e-10,108
7.1.2,633,1,LGAP-GE by Constantin et al,2,524423,3,True,True,True,False,False,6,1.2527609594448028e-09,18
7.1.2,633,2,LGAP-GE by Constantin et al,2,524423,3,True,True,True,False,False,15,7.2010198089139745e-09,63
7.1.2,634,1,Reoptimized PC07 by Mejia-Rodriguez and Trickey,4,557191,2,True,True,True,False,False,9,1.3641285191247477e-10,30
7.1.2,634,2,Reoptimized PC07 by Mejia-Rodriguez and Trickey,4,557191,2,True,True,True,False,False,21,1.0711805400525999e-08,108
7.1.2,635,1,empirically optimized gamma-TFvW form,2,524423,2,True,True,True,False,False,6,1.538623171485065e-10,18
7.1.2,635,2,empirically optimized gamma-TFvW form,2,524423,2,True,True,True,False,False,15,2.6387227808459056e-10,63
7.1.2,636,1,LC version of B88,32,524679,1,True,True,True,False,False,6,1.0867698402157036e-10,18
7.1.2,636,2,LC version of B88,32,524679,1,True,True,True,False,False,15,6.858068629539749e-09,63
7.1.2,637,1,LC version of PBE,32,524679,1,True,True,True,False,False,6,1.1083386840116342e-10,18
7.1.2,637,2,LC version of PBE,32,524679,1,True,True,True,False,False,15,1.2512164746055015e-09,63
7.1.2,638,1,"Krieger, Chen, and Kurth",4,589959,0,True,True,True,False,False,9,9.18134291636286e-12,30
7.1.2,638,2,"Krieger, Chen, and Kurth",4,589959,0,True,True,True,False,False,21,9.94262831635453e-10,108
7.1.2,639,1,LC version of BLYP with correlation only in the short range,32,524679,1,True,True,True,False,False,6,1.1362264876094784e-10,18
7.1.2,639,2,LC version of BLYP with correlation only in the short range,32,524679,1,True,True,True,False,False,15,3.5545174096784316e-09,63
7.1.2,640,1,"Modified CAM-B3LYP by Day, Nguyen and Pachter",32,524679,4,True,True,True,False,False,6,9.675043197757138e-11,18
7.1.2,640,2,"Modified CAM-B3LYP by Day, Nguyen and Pachter",32,524679,4,True,True,True,False,False,15,6.189655841501714e-09,63
7.1.2,641,1,Short-range LDA exchange with Yukawa attenuation,1,524423,1,True,True,True,False,False,3,1.0604008067730983e-10,9
7.1.2,641,2,Short-range LDA exchange with Yukawa attenuation,1,524423,1,True,True,True,False,False,6,1.1311361949607511e-10,18
7.1.2,642,1,Re-regularized SCAN correlation with larger value for eta,4,589959,1,True,True,True,False,False,9,3.773437345886355e-09,30
7.1.2,642,2,Re-regularized SCAN correlation with larger value for eta,4,589959,1,True,True,True,False,False,21,2.0354909703085615e-09,108
7.1.2,643,1,Revised correlation energy for MGGAC exchange functional,4,589959,0,True,True,True,False,False,9,6.850825265388393e-11,30
7.1.2,643,2,Revised correlation energy for MGGAC exchange functional,4,589959,0,True,True,True,False,False,21,3.0060189962941855e-10,108
7.1.2,644,1,MCML exchange,4,589959,0,True,True,True,False,False,9,6.147289371425996e-10,30
7.1.2,644,2,MCML exchange,4,589959,0,True,True,True,False,False,21,1.7970218490724913e-09,108
7.1.2,645,1,Re-regularized SCAN exchange by Furness et al with larger value for eta,4,589959,6,True,True,True,False,False,9,1.6304689611171984e-09,30
7.1.2,645,2,Re-regularized SCAN exchange by Furness et al with larger value for eta,4,589959,6,True,True,True,False,False,21,2.3292279814351704e-07,108
7.1.2,646,1,Swart 2012 range-separated hybrid GGA exchange,32,524679,8,True,True,True,False,False,6,8.601923293748451e-11,18
7.1.2,646,2,Swart 2012 range-separated hybrid GGA exchange,32,524679,8,True,True,True,False,False,15,2.0858449311146755e-08,63
7.1.2,647,1,Swart 2012 range-separated hybrid GGA exchange,32,524679,8,True,True,True,False,False,6,1.3607995852865283e-10,18
7.1.2,647,2,Swart 2012 range-separated hybrid GGA exchange,32,524679,8,True,True,True,False,False,15,1.2326240796279907e-08,63
7.1.2,648,1,r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior,4,589959,4,True,True,True,False,False,9,2.5939985925243845e-09,30
7.1.2,648,2,r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior,4,589959,4,True,True,True,False,False,21,1.2793078970800588e-09,108
7.1.2,649,1,r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior,4,589959,1,True,True,True,False,False,9,3.757325758146814e-09,30
7.1.2,649,2,r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior,4,589959,1,True,True,True,False,False,21,2.042410847803473e-09,108
7.1.2,650,1,"r$^{4}$SCAN, a functional that satisfies the same exact constraints that SCAN does",4,589959,8,True,True,True,False,False,9,1.7079839928060412e-09,30
7.1.2,650,2,"r$^{4}$SCAN, a functional that satisfies the same exact constraints that SCAN does",4,589959,8,True,True,True,False,False,21,2.2769649407535226e-07,108
7.1.2,651,1,Exchange part of VCML-rVV10 by Trepte and Voss,4,589959,0,True,True,True,False,False,9,5.210526557334624e-10,30
7.1.2,651,2,Exchange part of VCML-rVV10 by Trepte and Voss,4,589959,0,True,True,True,False,False,21,1.0199327947618412e-09,108
7.1.2,652,1,VCML-rVV10 by Trepte and Voss,4,590983,0,True,True,True,False,False,9,4.920908186290785e-10,30
7.1.2,652,2,VCML-rVV10 by Trepte and Voss,4,590983,0,True,True,True,False,False,21,1.1072390035371055e-09,108
7.1.2,653,1,Long-range corrected functional based on short-range LDA exchange (erfc),128,524679,1,True,True,True,False,False,3,1.1038506404568192e-10,9
7.1.2,653,2,Long-range corrected functional based on short-range LDA exchange (erfc),128,524679,1,True,True,True,False,False,6,1.1750470888705682e-10,18
7.1.2,654,1,Short ranged correlation LDA (erfc),1,524423,1,True,True,True,False,False,3,1.6373261783460007e-11,9
7.1.2,654,2,Short ranged correlation LDA (erfc),1,524423,1,True,True,True,False,False,6,3.623003571396295e-11,18
7.1.2,655,1,Short ranged PBE exchange (erfc),2,524423,4,True,True,True,False,False,6,1.1041292577409191e-10,18
7.1.2,655,2,Short ranged PBE exchange (erfc),2,524423,4,True,True,True,False,False,15,1.1996357985475984e-10,63
7.1.2,656,1,Short-range PBE (GWS) exchange (erfc) + long-range exact exchange,32,524679,4,True,True,True,False,False,6,1.1041292577409191e-10,18
7.1.2,656,2,Short-range PBE (GWS) exchange (erfc) + long-range exact exchange,32,524679,4,True,True,True,False,False,15,1.1996357985475984e-10,63
7.1.2,657,1,Short ranged PBE correlation (erfc),2,524423,4,True,True,True,False,False,6,1.520179327763826e-11,18
7.1.2,657,2,Short ranged PBE correlation (erfc),2,524423,4,True,True,True,False,False,15,3.54475307551304e-11,63
7.1.2,658,1,Google Accelerated Science 22,64,591239,16,True,True,True,False,False,9,8.329632244808562e-09,30
7.1.2,658,2,Google Accelerated Science 22,64,591239,16,True,True,True,False,False,21,6.81249797744509e-08,108
7.1.2,659,1,r2SCANh: r2SCAN hybrid like TPSSh with 10% exact exchange,64,589959,1,True,True,True,False,False,9,7.536164373079079e-10,30
7.1.2,659,2,r2SCANh: r2SCAN hybrid like TPSSh with 10% exact exchange,64,589959,1,True,True,True,False,False,21,2.6569142639989233e-07,108
7.1.2,660,1,r2SCAN0: r2SCAN hybrid like PBE0 with 25% exact exchange,64,589959,1,True,True,True,False,False,9,9.852208126260858e-10,30
7.1.2,660,2,r2SCAN0: r2SCAN hybrid like PBE0 with 25% exact exchange,64,589959,1,True,True,True,False,False,21,2.534640392279482e-07,108
7.1.2,661,1,r2SCAN50: r2SCAN hybrid like PBE50 with 50% exact exchange,64,589959,1,True,True,True,False,False,9,1.635536973942995e-09,30
7.1.2,661,2,r2SCAN50: r2SCAN hybrid like PBE50 with 50% exact exchange,64,589959,1,True,True,True,False,False,21,2.2272465927630062e-07,108
7.1.2,662,1,Range-separated re-regularized SCAN exchange by Wittmann et al,64,590215,9,True,True,True,False,False,9,1.1253934267944096e-09,30
7.1.2,662,2,Range-separated re-regularized SCAN exchange by Wittmann et al,64,590215,9,True,True,True,False,False,21,1.5968532905645093e-07,108
7.1.2,681,1,CAM hybrid screened exchange PBE version,32,524679,3,True,True,True,False,False,6,5.1740171483746456e-11,18
7.1.2,681,2,CAM hybrid screened exchange PBE version,32,524679,3,True,True,True,False,False,15,5.413229440220522e-10,63
7.1.2,682,1,CAMY hybrid screened exchange PBE version,32,524935,3,True,True,True,False,False,6,3.599174027578253e-11,18
7.1.2,682,2,CAMY hybrid screened exchange PBE version,32,524935,3,True,True,True,False,False,15,1.1921100975552735e-09,63
7.1.2,683,1,"Ruggeri, Rios, and Alavi unrestricted fit",1,524423,22,True,True,True,False,False,3,1.1421492583445407e-11,9
7.1.2,683,2,"Ruggeri, Rios, and Alavi unrestricted fit",1,524423,22,True,True,True,False,False,6,4.903448951998488e-11,18
7.1.2,684,1,"Ruggeri, Rios, and Alavi restricted fit",1,524423,22,True,True,True,False,False,3,1.1332531564812789e-11,9
7.1.2,684,2,"Ruggeri, Rios, and Alavi restricted fit",1,524423,22,True,True,True,False,False,6,4.8801628702223974e-11,18
7.1.2,685,1,LDA-type exchange with tau-dependent potential,4,589959,1,True,True,True,False,False,9,1.3474809624664234e-10,30
7.1.2,685,2,LDA-type exchange with tau-dependent potential,4,589959,1,True,True,True,False,False,21,1.5962841436555187e-10,108
7.1.2,686,1,Tao 2001,4,639111,0,True,True,True,False,False,12,6.598265818470857e-10,45
7.1.2,686,2,Tao 2001,4,639111,0,True,True,True,False,False,27,6.211768603165799e-10,165
7.1.2,687,1,Generalized density-matrix with a=1/2,4,622727,3,True,True,True,False,False,12,4.2866574084836106e-10,45
7.1.2,687,2,Generalized density-matrix with a=1/2,4,622727,3,True,True,True,False,False,27,7.810163205209882e-10,165
7.1.2,688,1,Reparametrized local-density approximation,4,639111,1,True,True,True,False,False,12,1.7343845872738616e-09,45
7.1.2,688,2,Reparametrized local-density approximation,4,639111,1,True,True,True,False,False,27,2.531377022581246e-09,165
7.1.2,689,1,Generalized density-matrix with a=0,4,622727,3,True,True,True,False,False,12,4.2897384305645693e-10,45
7.1.2,689,2,Generalized density-matrix with a=0,4,622727,3,True,True,True,False,False,27,7.800443297849101e-10,165
7.1.2,690,1,Generalized density-matrix with a=0.00638,4,622727,3,True,True,True,False,False,12,4.2840254022819026e-10,45
7.1.2,690,2,Generalized density-matrix with a=0.00638,4,622727,3,True,True,True,False,False,27,7.799971519520757e-10,165
7.1.2,691,1,"Varied-terms (VT) mGGA of Koehl, Odom, and Scuseria",4,622727,3,True,True,True,False,False,12,2.7351686909071113e-10,45
7.1.2,691,2,"Varied-terms (VT) mGGA of Koehl, Odom, and Scuseria",4,622727,3,True,True,True,False,False,27,5.383134824327493e-10,165
7.1.2,692,1,simple local model for Slater potential,1,524423,2,True,True,True,False,False,3,1.1881092495287525e-10,9
7.1.2,692,2,simple local model for Slater potential,1,524423,2,True,True,True,False,False,6,1.2392878343320887e-10,18
7.1.2,693,1,revised Tao and Mo 2016 exchange,4,589959,0,True,True,True,False,False,9,1.018581771508853e-10,30
7.1.2,693,2,revised Tao and Mo 2016 exchange,4,589959,0,True,True,True,False,False,21,3.9126724213781933e-10,108
7.1.2,694,1,revised Tao and Mo 2016 exchange,4,589959,5,True,True,True,False,False,9,8.663399598356352e-12,30
7.1.2,694,2,revised Tao and Mo 2016 exchange,4,589959,5,True,True,True,False,False,21,4.91386494432628e-11,108
7.1.2,695,1,EDMGGA hybrid,64,639111,0,True,True,True,False,False,12,5.813429364406966e-10,45
7.1.2,695,2,EDMGGA hybrid,64,639111,0,True,True,True,False,False,27,5.108026306210433e-10,165
7.1.2,696,1,Modified Becke-Roussel for band gaps - cuspless hole,4,606343,0,True,True,True,False,False,9,1.619247412345518e-10,30
7.1.2,696,2,Modified Becke-Roussel for band gaps - cuspless hole,4,606343,0,True,True,True,False,False,21,4.5229784474972765e-09,108
7.1.2,697,1,Modified Becke-Roussel for band gaps - hydrogen hole,4,606343,0,True,True,True,False,False,9,3.6758556732766863e-10,30
7.1.2,697,2,Modified Becke-Roussel for band gaps - hydrogen hole,4,606343,0,True,True,True,False,False,21,3.5557629703868864e-09,108
7.1.2,698,1,Half-and-half meta-LDAized LDA exchange by Lehtola and Marques,4,589959,1,True,True,True,False,False,9,1.7244559178988113e-10,30
7.1.2,698,2,Half-and-half meta-LDAized LDA exchange by Lehtola and Marques,4,589959,1,True,True,True,False,False,21,1.90020520935865e-10,108
7.1.2,699,1,Half-and-half meta-LDAized PW correlation by Lehtola and Marques,4,589959,1,True,True,True,False,False,9,5.7575851029502e-12,30
7.1.2,699,2,Half-and-half meta-LDAized PW correlation by Lehtola and Marques,4,589959,1,True,True,True,False,False,21,3.2024841745262234e-11,108
7.1.2,700,1,Deorbitalized SCAN (SCAN-L) exchange,4,557191,6,True,True,True,False,False,9,5.715228506333784e-10,30
7.1.2,700,2,Deorbitalized SCAN (SCAN-L) exchange,4,557191,6,True,True,True,False,False,21,1.5545723370256162e-07,108
7.1.2,701,1,Deorbitalized revised SCAN (revSCAN-L) exchange,4,557191,6,True,True,True,False,False,9,1.2801024076699641e-10,30
7.1.2,701,2,Deorbitalized revised SCAN (revSCAN-L) exchange,4,557191,6,True,True,True,False,False,21,1.443571557690147e-07,108
7.1.2,702,1,Deorbitalized SCAN (SCAN-L) correlation,4,557191,2,True,True,True,False,False,9,1.6153053947422132e-10,30
7.1.2,702,2,Deorbitalized SCAN (SCAN-L) correlation,4,557191,2,True,True,True,False,False,21,1.0975268696985294e-09,108
7.1.2,703,1,SCAN-L + rVV10 correlation,4,558215,0,True,True,True,False,False,9,1.6153053947422132e-10,30
7.1.2,703,2,SCAN-L + rVV10 correlation,4,558215,0,True,True,True,False,False,21,1.0975268696985294e-09,108
7.1.2,704,1,SCAN-L + VV10 correlation,4,558215,0,True,True,True,False,False,9,1.6153053947422132e-10,30
7.1.2,704,2,SCAN-L + VV10 correlation,4,558215,0,True,True,True,False,False,21,1.0975268696985294e-09,108
7.1.2,705,1,"Jana and Samal 2018, screened range-separated TM exchange",64,590215,2,True,True,True,False,False,9,2.6816663669521275e-10,30
7.1.2,705,2,"Jana and Samal 2018, screened range-separated TM exchange",64,590215,2,True,True,True,False,False,21,1.422204822072449e-09,108
7.1.2,706,1,"Patra, Jana and Samal 2018, screened range-separated TM exchange",64,590215,1,True,True,True,False,False,9,1.6758372860403258e-10,30
7.1.2,706,2,"Patra, Jana and Samal 2018, screened range-separated TM exchange",64,590215,1,True,True,True,False,False,21,5.210470313958614e-09,108
7.1.2,707,1,TASK exchange of Aschebrock and Kuemmel,4,589959,11,True,True,True,False,False,9,6.778878401269301e-10,30
7.1.2,707,2,TASK exchange of Aschebrock and Kuemmel,4,589959,11,True,True,True,False,False,21,1.0081284339884868e-08,108
7.1.2,711,1,MGGAC exchange of Patra et al,4,589959,0,True,True,True,False,False,9,3.95092401915785e-10,30
7.1.2,711,2,MGGAC exchange of Patra et al,4,589959,0,True,True,True,False,False,21,3.643970653633094e-10,108
7.1.2,712,1,beta fitted to LC20 to be used with MGGAC,2,524423,4,True,True,True,False,False,6,6.594580848361439e-12,18
7.1.2,712,2,beta fitted to LC20 to be used with MGGAC,2,524423,4,True,True,True,False,False,15,4.919722132096301e-11,63
7.1.2,716,1,modified Becke-Roussel by Patra et al,4,589959,3,True,True,True,False,False,9,4.373723594083383e-10,30
7.1.2,716,2,modified Becke-Roussel by Patra et al,4,589959,3,True,True,True,False,False,21,4.401235391320803e-08,108
7.1.2,718,1,Deorbitalized re-regularized SCAN (r2SCAN-L) exchange,4,557191,8,True,True,True,False,False,9,2.171523169563608e-10,30
7.1.2,718,2,Deorbitalized re-regularized SCAN (r2SCAN-L) exchange,4,557191,8,True,True,True,False,False,21,7.684360835990449e-08,108
7.1.2,719,1,Deorbitalized re-regularized SCAN (r2SCAN-L) correlation,4,557191,2,True,True,True,False,False,9,6.806216617072901e-11,30
7.1.2,719,2,Deorbitalized re-regularized SCAN (r2SCAN-L) correlation,4,557191,2,True,True,True,False,False,21,9.979580762206534e-10,108
7.1.2,720,1,Long-range corrected TM-LYP by Jana et al,64,590215,1,True,True,True,False,False,9,1.784482784951643e-10,30
7.1.2,720,2,Long-range corrected TM-LYP by Jana et al,64,590215,1,True,True,True,False,False,21,8.149931529010872e-09,108
7.1.2,724,1,modified TASK exchange,4,589959,11,True,True,True,False,False,9,5.709264266647528e-10,30
7.1.2,724,2,modified TASK exchange,4,589959,11,True,True,True,False,False,21,6.253359678788492e-09,108
7.1.2,734,1,Functional for quasi-1D systems,2,524423,0,True,True,True,False,False,6,1.0317913064386207e-10,18
7.1.2,734,2,Functional for quasi-1D systems,2,524423,0,True,True,True,False,False,15,4.735880166363301e-08,63
7.1.2,735,1,KTBM learned exchange - 0,4,589959,12,True,True,True,False,False,9,2.1810314968428134e-10,30
7.1.2,735,2,KTBM learned exchange - 0,4,589959,12,True,True,True,False,False,21,3.3355972580993514e-10,108
7.1.2,736,1,KTBM learned exchange - 1,4,589959,12,True,True,True,False,False,9,2.2219070956146262e-10,30
7.1.2,736,2,KTBM learned exchange - 1,4,589959,12,True,True,True,False,False,21,3.329445639995239e-10,108
7.1.2,737,1,KTBM learned exchange - 2,4,589959,12,True,True,True,False,False,9,2.4333416337206117e-10,30
7.1.2,737,2,KTBM learned exchange - 2,4,589959,12,True,True,True,False,False,21,3.3523123577101206e-10,108
7.1.2,738,1,KTBM learned exchange - 3,4,589959,12,True,True,True,False,False,9,3.5204375125727784e-10,30
7.1.2,738,2,KTBM learned exchange - 3,4,589959,12,True,True,True,False,False,21,3.678680099586695e-10,108
7.1.2,739,1,KTBM learned exchange - 4,4,589959,12,True,True,True,False,False,9,3.694597017464833e-10,30
7.1.2,739,2,KTBM learned exchange - 4,4,589959,12,True,True,True,False,False,21,3.7387665247272505e-10,108
7.1.2,740,1,KTBM learned exchange - 5,4,589959,12,True,True,True,False,False,9,1.7589070782957817e-10,30
7.1.2,740,2,KTBM learned exchange - 5,4,589959,12,True,True,True,False,False,21,3.0982630333599083e-10,108
7.1.2,741,1,KTBM learned exchange - 6,4,589959,12,True,True,True,False,False,9,2.0113496938146817e-10,30
7.1.2,741,2,KTBM learned exchange - 6,4,589959,12,True,True,True,False,False,21,3.343246851593613e-10,108
7.1.2,742,1,KTBM learned exchange - 7,4,589959,12,True,True,True,False,False,9,2.84224944654266e-10,30
7.1.2,742,2,KTBM learned exchange - 7,4,589959,12,True,True,True,False,False,21,3.8584616348902763e-10,108
7.1.2,743,1,KTBM learned exchange - 8,4,589959,12,True,True,True,False,False,9,3.768019787778238e-10,30
7.1.2,743,2,KTBM learned exchange - 8,4,589959,12,True,True,True,False,False,21,4.0027085274784867e-10,108
7.1.2,744,1,KTBM learned exchange - 9,4,589959,12,True,True,True,False,False,9,4.500719702150034e-10,30
7.1.2,744,2,KTBM learned exchange - 9,4,589959,12,True,True,True,False,False,21,4.357768987060047e-10,108
7.1.2,745,1,KTBM learned exchange - 10,4,589959,12,True,True,True,False,False,9,2.2294502153979083e-10,30
7.1.2,745,2,KTBM learned exchange - 10,4,589959,12,True,True,True,False,False,21,3.727523826457919e-10,108
7.1.2,746,1,KTBM learned exchange - 11,4,589959,12,True,True,True,False,False,9,2.462986611879845e-10,30
7.1.2,746,2,KTBM learned exchange - 11,4,589959,12,True,True,True,False,False,21,3.8874668487692095e-10,108
7.1.2,747,1,KTBM learned exchange - 12,4,589959,12,True,True,True,False,False,9,3.104392719283606e-10,30
7.1.2,747,2,KTBM learned exchange - 12,4,589959,12,True,True,True,False,False,21,4.2125553271920023e-10,108
7.1.2,748,1,KTBM learned exchange - 13,4,589959,12,True,True,True,False,False,9,3.9820571138788264e-10,30
7.1.2,748,2,KTBM learned exchange - 13,4,589959,12,True,True,True,False,False,21,4.566210249237533e-10,108
7.1.2,749,1,KTBM learned exchange - 14,4,589959,12,True,True,True,False,False,9,4.663536748203403e-10,30
7.1.2,749,2,KTBM learned exchange - 14,4,589959,12,True,True,True,False,False,21,4.684572432834843e-10,108
7.1.2,750,1,KTBM learned exchange - 15,4,589959,12,True,True,True,False,False,9,2.366810530654707e-10,30
7.1.2,750,2,KTBM learned exchange - 15,4,589959,12,True,True,True,False,False,21,4.1053318475445924e-10,108
7.1.2,751,1,KTBM learned exchange - 16,4,589959,12,True,True,True,False,False,9,2.708416670756632e-10,30
7.1.2,751,2,KTBM learned exchange - 16,4,589959,12,True,True,True,False,False,21,4.3195756806428353e-10,108
7.1.2,752,1,KTBM learned exchange - 17,4,589959,12,True,True,True,False,False,9,3.4230141009670416e-10,30
7.1.2,752,2,KTBM learned exchange - 17,4,589959,12,True,True,True,False,False,21,4.6093676523553247e-10,108
7.1.2,753,1,KTBM learned exchange - 18,4,589959,12,True,True,True,False,False,9,4.1249391648939035e-10,30
7.1.2,753,2,KTBM learned exchange - 18,4,589959,12,True,True,True,False,False,21,4.755079957350749e-10,108
7.1.2,754,1,KTBM learned exchange - 19,4,589959,12,True,True,True,False,False,9,4.6106982528351263e-10,30
7.1.2,754,2,KTBM learned exchange - 19,4,589959,12,True,True,True,False,False,21,4.736436051957885e-10,108
7.1.2,755,1,KTBM learned exchange - 20,4,589959,12,True,True,True,False,False,9,3.2320220063603826e-10,30
7.1.2,755,2,KTBM learned exchange - 20,4,589959,12,True,True,True,False,False,21,4.642142306755344e-10,108
7.1.2,756,1,KTBM learned exchange - 21,4,589959,12,True,True,True,False,False,9,3.570796676109767e-10,30
7.1.2,756,2,KTBM learned exchange - 21,4,589959,12,True,True,True,False,False,21,4.74215742671665e-10,108
7.1.2,757,1,KTBM learned exchange - 22,4,589959,12,True,True,True,False,False,9,3.8731182354375954e-10,30
7.1.2,757,2,KTBM learned exchange - 22,4,589959,12,True,True,True,False,False,21,4.805538135342972e-10,108
7.1.2,758,1,KTBM learned exchange - 23,4,589959,12,True,True,True,False,False,9,4.286437354106134e-10,30
7.1.2,758,2,KTBM learned exchange - 23,4,589959,12,True,True,True,False,False,21,4.786136580346442e-10,108
7.1.2,759,1,KTBM learned exchange - 24,4,589959,12,True,True,True,False,False,9,5.27680728904923e-10,30
7.1.2,759,2,KTBM learned exchange - 24,4,589959,12,True,True,True,False,False,21,4.906920071524528e-10,108
7.1.2,760,1,KTBM learned exchange - GAP,4,589959,12,True,True,True,False,False,9,8.705687134957735e-10,30
7.1.2,760,2,KTBM learned exchange - GAP,4,589959,12,True,True,True,False,False,21,8.785097707974115e-10,108
7.1.2,761,1,"MS-PBEl, a PBE-like meta-GGA exchange",4,589959,4,True,True,True,False,False,9,1.3095263882394602e-09,30
7.1.2,761,2,"MS-PBEl, a PBE-like meta-GGA exchange",4,589959,4,True,True,True,False,False,21,2.1462969282320107e-09,108
7.1.2,762,1,regularized MS-PBEl,4,589959,4,True,True,True,False,False,9,1.3093783108077104e-09,30
7.1.2,762,2,regularized MS-PBEl,4,589959,4,True,True,True,False,False,21,2.1458708398158193e-09,108
7.1.2,763,1,"MS-RPBEl, a RPBE-like meta-GGA exchange",4,589959,4,True,True,True,False,False,9,1.0719449779287612e-09,30
7.1.2,763,2,"MS-RPBEl, a RPBE-like meta-GGA exchange",4,589959,4,True,True,True,False,False,21,1.6903005579609783e-09,108
7.1.2,764,1,regularized MS-RPBEl,4,589959,4,True,True,True,False,False,9,1.071716809269833e-09,30
7.1.2,764,2,regularized MS-RPBEl,4,589959,4,True,True,True,False,False,21,1.6903989430862505e-09,108
7.1.2,765,1,"MS-B86bl, a B86b-like meta-GGA exchange",4,589959,4,True,True,True,False,False,9,1.173133823954295e-09,30
7.1.2,765,2,"MS-B86bl, a B86b-like meta-GGA exchange",4,589959,4,True,True,True,False,False,21,1.883759440215563e-09,108
7.1.2,766,1,regularized MS-B86bl,4,589959,4,True,True,True,False,False,9,1.1729981863332736e-09,30
7.1.2,766,2,regularized MS-B86bl,4,589959,4,True,True,True,False,False,21,1.88347172640589e-09,108
7.1.2,767,1,Dispersionless physically-informed Minnesota M06-2X hybrid exchange functional,64,589959,14,True,True,True,False,False,9,9.447070540142016e-11,30
7.1.2,767,2,Dispersionless physically-informed Minnesota M06-2X hybrid exchange functional,64,589959,14,True,True,True,False,False,21,2.603985348453866e-10,108
7.1.2,768,1,Dispersionless physically-informed Minnesota M06-2X correlation functional,4,589959,27,True,True,True,False,False,9,1.2891969153619456e-08,30
7.1.2,768,2,Dispersionless physically-informed Minnesota M06-2X correlation functional,4,589959,27,True,True,True,False,False,21,7.74227477559758e-08,108
7.1.2,769,1,Physically-informed Minnesota M06-2X hybrid exchange functional,64,589959,14,True,True,True,False,False,9,2.495066074481177e-09,30
7.1.2,769,2,Physically-informed Minnesota M06-2X hybrid exchange functional,64,589959,14,True,True,True,False,False,21,3.859511630175569e-09,108
7.1.2,770,1,Physically-informed Minnesota M06-2X correlation functional,4,589959,27,True,True,True,False,False,9,1.0300766478880804e-08,30
7.1.2,770,2,Physically-informed Minnesota M06-2X correlation functional,4,589959,27,True,True,True,False,False,21,4.046014616847735e-07,108
7.1.2,771,1,COACH exchange-correlation functional,64,591239,0,True,True,True,False,False,9,1.6979078171128944e-09,30
7.1.2,771,2,COACH exchange-correlation functional,64,591239,0,True,True,True,False,False,21,1.032233506172013e-07,108
7.1.2,772,1,Simplified regularized Tao-Mo exchange (v1),4,589959,0,True,True,True,False,False,9,2.607187410779528e-10,30
7.1.2,772,2,Simplified regularized Tao-Mo exchange (v1),4,589959,0,True,True,True,False,False,21,1.0609520465666003e-09,108
7.1.2,773,1,Simplified regularized Tao-Mo exchange (v2),4,589959,0,True,True,True,False,False,9,2.7348716969270365e-10,30
7.1.2,773,2,Simplified regularized Tao-Mo exchange (v2),4,589959,0,True,True,True,False,False,21,1.0742589379031104e-09,108
7.1.2,774,1,Simplified regularized Tao-Mo exchange (v3),4,589959,0,True,True,True,False,False,9,2.7297719893228474e-10,30
7.1.2,774,2,Simplified regularized Tao-Mo exchange (v3),4,589959,0,True,True,True,False,False,21,1.0110000850204725e-09,108