 vasp.6.3.2 27Jun22 (build Sep 27 2026 18:28:07) complex                        
  energy without entropy =      412.63010523  energy(sigma->0) =      412.61907852
  energy without entropy =       46.18641126  energy(sigma->0) =       46.17700026
  energy without entropy =      -17.87204676  energy(sigma->0) =      -17.87973053
  energy without entropy =      -20.78525504  energy(sigma->0) =      -20.79257493
  energy without entropy =      -20.83964382  energy(sigma->0) =      -20.84696770
  energy without entropy =      -17.70017540  energy(sigma->0) =      -17.70739591
  energy without entropy =      -16.90579656  energy(sigma->0) =      -16.91083577
  energy without entropy =      -16.71769358  energy(sigma->0) =      -16.72174919
  energy without entropy =      -16.65251750  energy(sigma->0) =      -16.65633033
  energy without entropy =      -16.63117820  energy(sigma->0) =      -16.63502749
  energy without entropy =      -16.60871546  energy(sigma->0) =      -16.61261421
  energy without entropy =      -16.59162832  energy(sigma->0) =      -16.59568137
  energy without entropy =      -16.59066746  energy(sigma->0) =      -16.59472663
  energy without entropy =      -16.59017856  energy(sigma->0) =      -16.59417421
  energy without entropy =      -16.59019195  energy(sigma->0) =      -16.59414046
  energy without entropy =      -16.59013081  energy(sigma->0) =      -16.59408201
  energy without entropy =      -16.59012059  energy(sigma->0) =      -16.59407853
  energy without entropy =      -16.59012176  energy(sigma->0) =      -16.59407667
  energy without entropy =      -16.59012918  energy(sigma->0) =      -16.59408102
  energy without entropy =      -16.59012441  energy(sigma->0) =      -16.59407864
 E-fermi :  -4.9135     XC(G=0):  -5.8608     alpha+bet : -5.2041
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.59258087  energy(sigma->0) =      -16.59653523
  energy without entropy =      -16.59258087  energy(sigma->0) =      -16.59653524
  energy without entropy =      -16.59258087  energy(sigma->0) =      -16.59653524
  energy without entropy =      -16.59258087  energy(sigma->0) =      -16.59653524
  energy without entropy =      -16.59258087  energy(sigma->0) =      -16.59653524
  energy without entropy =      -16.59263159  energy(sigma->0) =      -16.59658261
  energy without entropy =      -16.59263133  energy(sigma->0) =      -16.59658249
  energy without entropy =      -16.59262955  energy(sigma->0) =      -16.59658078
  energy without entropy =      -16.59262938  energy(sigma->0) =      -16.59658062
 E-fermi :  -4.8892     XC(G=0):  -5.8310     alpha+bet : -5.2041
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.60729443  energy(sigma->0) =      -16.61124550
  energy without entropy =      -16.60729443  energy(sigma->0) =      -16.61124550
  energy without entropy =      -16.60729443  energy(sigma->0) =      -16.61124550
  energy without entropy =      -16.60729443  energy(sigma->0) =      -16.61124550
  energy without entropy =      -16.60729443  energy(sigma->0) =      -16.61124550
  energy without entropy =      -16.60728672  energy(sigma->0) =      -16.61123535
  energy without entropy =      -16.60728076  energy(sigma->0) =      -16.61122963
  energy without entropy =      -16.60727060  energy(sigma->0) =      -16.61122000
  energy without entropy =      -16.60717271  energy(sigma->0) =      -16.61112496
  energy without entropy =      -16.60716078  energy(sigma->0) =      -16.61111410
  energy without entropy =      -16.60719381  energy(sigma->0) =      -16.61114651
  energy without entropy =      -16.60721960  energy(sigma->0) =      -16.61117300
  energy without entropy =      -16.60720264  energy(sigma->0) =      -16.61115698
  energy without entropy =      -16.60721440  energy(sigma->0) =      -16.61116863
  energy without entropy =      -16.60721209  energy(sigma->0) =      -16.61116604
  energy without entropy =      -16.60721201  energy(sigma->0) =      -16.61116589
 E-fermi :  -4.8545     XC(G=0):  -6.0332     alpha+bet : -5.2043
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.62177425  energy(sigma->0) =      -16.62572734
  energy without entropy =      -16.62177425  energy(sigma->0) =      -16.62572734
  energy without entropy =      -16.62177425  energy(sigma->0) =      -16.62572735
  energy without entropy =      -16.62177425  energy(sigma->0) =      -16.62572735
  energy without entropy =      -16.62177425  energy(sigma->0) =      -16.62572735
  energy without entropy =      -16.62194712  energy(sigma->0) =      -16.62589558
  energy without entropy =      -16.62194781  energy(sigma->0) =      -16.62589650
  energy without entropy =      -16.62194798  energy(sigma->0) =      -16.62589667
 E-fermi :  -4.8017     XC(G=0):  -6.0818     alpha+bet : -5.2044
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.63635460  energy(sigma->0) =      -16.64030114
  energy without entropy =      -16.63635460  energy(sigma->0) =      -16.64030114
  energy without entropy =      -16.63635460  energy(sigma->0) =      -16.64030115
  energy without entropy =      -16.63635460  energy(sigma->0) =      -16.64030114
  energy without entropy =      -16.63635461  energy(sigma->0) =      -16.64030115
  energy without entropy =      -16.63684792  energy(sigma->0) =      -16.64079094
  energy without entropy =      -16.63685249  energy(sigma->0) =      -16.64079557
  energy without entropy =      -16.63685655  energy(sigma->0) =      -16.64079939
  energy without entropy =      -16.63685200  energy(sigma->0) =      -16.64079505
  energy without entropy =      -16.63684286  energy(sigma->0) =      -16.64078601
  energy without entropy =      -16.63679705  energy(sigma->0) =      -16.64074126
  energy without entropy =      -16.63672972  energy(sigma->0) =      -16.64067548
  energy without entropy =      -16.63672239  energy(sigma->0) =      -16.64066843
  energy without entropy =      -16.63670614  energy(sigma->0) =      -16.64065245
  energy without entropy =      -16.63669042  energy(sigma->0) =      -16.64063745
  energy without entropy =      -16.63663272  energy(sigma->0) =      -16.64058148
  energy without entropy =      -16.63662952  energy(sigma->0) =      -16.64057865
  energy without entropy =      -16.63659350  energy(sigma->0) =      -16.64054342
  energy without entropy =      -16.63660239  energy(sigma->0) =      -16.64055168
  energy without entropy =      -16.63664329  energy(sigma->0) =      -16.64059175
  energy without entropy =      -16.63661340  energy(sigma->0) =      -16.64056227
  energy without entropy =      -16.63659344  energy(sigma->0) =      -16.64054404
  energy without entropy =      -16.63652059  energy(sigma->0) =      -16.64047596
  energy without entropy =      -16.63651441  energy(sigma->0) =      -16.64047240
 E-fermi :  -4.7585     XC(G=0):  -6.0987     alpha+bet : -5.2045
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.65079164  energy(sigma->0) =      -16.65474740
  energy without entropy =      -16.65079164  energy(sigma->0) =      -16.65474741
  energy without entropy =      -16.65079164  energy(sigma->0) =      -16.65474741
  energy without entropy =      -16.65079164  energy(sigma->0) =      -16.65474741
  energy without entropy =      -16.65079164  energy(sigma->0) =      -16.65474741
  energy without entropy =      -16.65143723  energy(sigma->0) =      -16.65539003
  energy without entropy =      -16.65142205  energy(sigma->0) =      -16.65537554
  energy without entropy =      -16.65142593  energy(sigma->0) =      -16.65537935
  energy without entropy =      -16.65135455  energy(sigma->0) =      -16.65530965
  energy without entropy =      -16.65136048  energy(sigma->0) =      -16.65531596
  energy without entropy =      -16.65135830  energy(sigma->0) =      -16.65531491
 E-fermi :  -4.7078     XC(G=0):  -6.1163     alpha+bet : -5.2047
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.66548498  energy(sigma->0) =      -16.66943855
  energy without entropy =      -16.66548499  energy(sigma->0) =      -16.66943856
  energy without entropy =      -16.66548499  energy(sigma->0) =      -16.66943856
  energy without entropy =      -16.66548499  energy(sigma->0) =      -16.66943856
  energy without entropy =      -16.66548499  energy(sigma->0) =      -16.66943856
  energy without entropy =      -16.66640227  energy(sigma->0) =      -16.67035546
  energy without entropy =      -16.66639040  energy(sigma->0) =      -16.67034413
  energy without entropy =      -16.66655995  energy(sigma->0) =      -16.67051614
  energy without entropy =      -16.66646651  energy(sigma->0) =      -16.67042509
  energy without entropy =      -16.66647231  energy(sigma->0) =      -16.67043228
  energy without entropy =      -16.66638579  energy(sigma->0) =      -16.67034753
  energy without entropy =      -16.66638513  energy(sigma->0) =      -16.67034690
 E-fermi :  -4.6524     XC(G=0):  -6.1258     alpha+bet : -5.2048
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.68034630  energy(sigma->0) =      -16.68430471
  energy without entropy =      -16.68034630  energy(sigma->0) =      -16.68430471
  energy without entropy =      -16.68034630  energy(sigma->0) =      -16.68430471
  energy without entropy =      -16.68034631  energy(sigma->0) =      -16.68430471
  energy without entropy =      -16.68034631  energy(sigma->0) =      -16.68430471
  energy without entropy =      -16.68170896  energy(sigma->0) =      -16.68565753
  energy without entropy =      -16.68171453  energy(sigma->0) =      -16.68566286
  energy without entropy =      -16.68168471  energy(sigma->0) =      -16.68563355
  energy without entropy =      -16.68140204  energy(sigma->0) =      -16.68535469
  energy without entropy =      -16.68119601  energy(sigma->0) =      -16.68515309
  energy without entropy =      -16.68131967  energy(sigma->0) =      -16.68527810
  energy without entropy =      -16.68131563  energy(sigma->0) =      -16.68527416
  energy without entropy =      -16.68131589  energy(sigma->0) =      -16.68527446
 E-fermi :  -4.6014     XC(G=0):  -6.1372     alpha+bet : -5.2050
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.69512545  energy(sigma->0) =      -16.69907997
  energy without entropy =      -16.69512545  energy(sigma->0) =      -16.69907997
  energy without entropy =      -16.69512545  energy(sigma->0) =      -16.69907997
  energy without entropy =      -16.69512545  energy(sigma->0) =      -16.69907997
  energy without entropy =      -16.69512545  energy(sigma->0) =      -16.69907997
  energy without entropy =      -16.69653175  energy(sigma->0) =      -16.70049008
  energy without entropy =      -16.69653101  energy(sigma->0) =      -16.70048973
  energy without entropy =      -16.69620927  energy(sigma->0) =      -16.70017806
  energy without entropy =      -16.69618953  energy(sigma->0) =      -16.70015835
  energy without entropy =      -16.69617872  energy(sigma->0) =      -16.70014819
  energy without entropy =      -16.69600690  energy(sigma->0) =      -16.69997777
  energy without entropy =      -16.69602271  energy(sigma->0) =      -16.69999363
  energy without entropy =      -16.69607823  energy(sigma->0) =      -16.70005125
  energy without entropy =      -16.69609560  energy(sigma->0) =      -16.70006825
  energy without entropy =      -16.69607641  energy(sigma->0) =      -16.70004941
  energy without entropy =      -16.69595775  energy(sigma->0) =      -16.69993181
  energy without entropy =      -16.69591133  energy(sigma->0) =      -16.69988539
  energy without entropy =      -16.69611532  energy(sigma->0) =      -16.70008426
  energy without entropy =      -16.69611237  energy(sigma->0) =      -16.70008141
  energy without entropy =      -16.69609652  energy(sigma->0) =      -16.70006594
  energy without entropy =      -16.69548956  energy(sigma->0) =      -16.69947278
  energy without entropy =      -16.69517153  energy(sigma->0) =      -16.69916330
  energy without entropy =      -16.69474936  energy(sigma->0) =      -16.69875073
  energy without entropy =      -16.69460196  energy(sigma->0) =      -16.69860855
  energy without entropy =      -16.69428807  energy(sigma->0) =      -16.69830362
  energy without entropy =      -16.69398292  energy(sigma->0) =      -16.69801075
  energy without entropy =      -16.69355904  energy(sigma->0) =      -16.69760347
  energy without entropy =      -16.69312608  energy(sigma->0) =      -16.69719972
  energy without entropy =      -16.69297625  energy(sigma->0) =      -16.69706174
  energy without entropy =      -16.69290445  energy(sigma->0) =      -16.69700003
  energy without entropy =      -16.69275642  energy(sigma->0) =      -16.69686465
  energy without entropy =      -16.69268116  energy(sigma->0) =      -16.69679621
  energy without entropy =      -16.69261587  energy(sigma->0) =      -16.69674956
  energy without entropy =      -16.69262279  energy(sigma->0) =      -16.69675647
  energy without entropy =      -16.69263060  energy(sigma->0) =      -16.69676345
  energy without entropy =      -16.69263713  energy(sigma->0) =      -16.69677013
  energy without entropy =      -16.69264193  energy(sigma->0) =      -16.69677466
  energy without entropy =      -16.69244586  energy(sigma->0) =      -16.69659446
  energy without entropy =      -16.69241805  energy(sigma->0) =      -16.69656866
  energy without entropy =      -16.69240225  energy(sigma->0) =      -16.69655108
  energy without entropy =      -16.69244304  energy(sigma->0) =      -16.69658894
  energy without entropy =      -16.69240058  energy(sigma->0) =      -16.69655676
  energy without entropy =      -16.69244206  energy(sigma->0) =      -16.69659114
  energy without entropy =      -16.69245005  energy(sigma->0) =      -16.69659747
  energy without entropy =      -16.69244231  energy(sigma->0) =      -16.69659188
  energy without entropy =      -16.69244330  energy(sigma->0) =      -16.69659245
 E-fermi :  -4.6234     XC(G=0):  -5.9466     alpha+bet : -5.2051
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.70630196  energy(sigma->0) =      -16.71045552
  energy without entropy =      -16.70630197  energy(sigma->0) =      -16.71045553
  energy without entropy =      -16.70630197  energy(sigma->0) =      -16.71045554
  energy without entropy =      -16.70630198  energy(sigma->0) =      -16.71045554
  energy without entropy =      -16.70630198  energy(sigma->0) =      -16.71045554
  energy without entropy =      -16.70636225  energy(sigma->0) =      -16.71050725
  energy without entropy =      -16.70658746  energy(sigma->0) =      -16.71070255
  energy without entropy =      -16.70638742  energy(sigma->0) =      -16.71050848
  energy without entropy =      -16.70625475  energy(sigma->0) =      -16.71038240
  energy without entropy =      -16.70625840  energy(sigma->0) =      -16.71038621
  energy without entropy =      -16.70627679  energy(sigma->0) =      -16.71040311
  energy without entropy =      -16.70619997  energy(sigma->0) =      -16.71032471
  energy without entropy =      -16.70613453  energy(sigma->0) =      -16.71026637
  energy without entropy =      -16.70611052  energy(sigma->0) =      -16.71026293
  energy without entropy =      -16.70615992  energy(sigma->0) =      -16.71031642
  energy without entropy =      -16.70616792  energy(sigma->0) =      -16.71032584
  energy without entropy =      -16.70617176  energy(sigma->0) =      -16.71033299
  energy without entropy =      -16.70617117  energy(sigma->0) =      -16.71033263
 E-fermi :  -4.5906     XC(G=0):  -5.9241     alpha+bet : -5.2052
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.71993214  energy(sigma->0) =      -16.72409762
  energy without entropy =      -16.71993214  energy(sigma->0) =      -16.72409762
  energy without entropy =      -16.71993214  energy(sigma->0) =      -16.72409762
  energy without entropy =      -16.71993214  energy(sigma->0) =      -16.72409762
  energy without entropy =      -16.71993214  energy(sigma->0) =      -16.72409762
  energy without entropy =      -16.71980214  energy(sigma->0) =      -16.72395714
  energy without entropy =      -16.71980347  energy(sigma->0) =      -16.72398679
  energy without entropy =      -16.71981305  energy(sigma->0) =      -16.72400367
  energy without entropy =      -16.71974029  energy(sigma->0) =      -16.72392047
  energy without entropy =      -16.71979456  energy(sigma->0) =      -16.72396485
  energy without entropy =      -16.71986390  energy(sigma->0) =      -16.72402488
  energy without entropy =      -16.71982260  energy(sigma->0) =      -16.72398464
  energy without entropy =      -16.71976638  energy(sigma->0) =      -16.72393210
  energy without entropy =      -16.71973805  energy(sigma->0) =      -16.72391404
  energy without entropy =      -16.71973994  energy(sigma->0) =      -16.72391608
  energy without entropy =      -16.71973260  energy(sigma->0) =      -16.72390918
  energy without entropy =      -16.71974262  energy(sigma->0) =      -16.72392315
  energy without entropy =      -16.71974910  energy(sigma->0) =      -16.72393673
  energy without entropy =      -16.71974263  energy(sigma->0) =      -16.72392907
  energy without entropy =      -16.71974804  energy(sigma->0) =      -16.72393936
  energy without entropy =      -16.71975987  energy(sigma->0) =      -16.72395324
  energy without entropy =      -16.71975307  energy(sigma->0) =      -16.72394773
  energy without entropy =      -16.71975213  energy(sigma->0) =      -16.72394576
  energy without entropy =      -16.71968388  energy(sigma->0) =      -16.72383567
  energy without entropy =      -16.71971663  energy(sigma->0) =      -16.72385167
  energy without entropy =      -16.71967157  energy(sigma->0) =      -16.72380581
  energy without entropy =      -16.71977170  energy(sigma->0) =      -16.72391678
  energy without entropy =      -16.71976911  energy(sigma->0) =      -16.72392418
  energy without entropy =      -16.71980672  energy(sigma->0) =      -16.72395929
  energy without entropy =      -16.71979891  energy(sigma->0) =      -16.72395145
  energy without entropy =      -16.71979531  energy(sigma->0) =      -16.72394935
 E-fermi :  -4.5394     XC(G=0):  -6.0618     alpha+bet : -5.2054
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.72805913  energy(sigma->0) =      -16.73221511
  energy without entropy =      -16.72805914  energy(sigma->0) =      -16.73221512
  energy without entropy =      -16.72805914  energy(sigma->0) =      -16.73221512
  energy without entropy =      -16.72805914  energy(sigma->0) =      -16.73221512
  energy without entropy =      -16.72805914  energy(sigma->0) =      -16.73221512
  energy without entropy =      -16.72815296  energy(sigma->0) =      -16.73230382
  energy without entropy =      -16.72812304  energy(sigma->0) =      -16.73227960
  energy without entropy =      -16.72806417  energy(sigma->0) =      -16.73223187
  energy without entropy =      -16.72805941  energy(sigma->0) =      -16.73222776
  energy without entropy =      -16.72806706  energy(sigma->0) =      -16.73223583
  energy without entropy =      -16.72806903  energy(sigma->0) =      -16.73223689
 E-fermi :  -4.5108     XC(G=0):  -6.0706     alpha+bet : -5.2055
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.72983800  energy(sigma->0) =      -16.73400631
  energy without entropy =      -16.72983800  energy(sigma->0) =      -16.73400631
  energy without entropy =      -16.72983800  energy(sigma->0) =      -16.73400631
  energy without entropy =      -16.72983800  energy(sigma->0) =      -16.73400631
  energy without entropy =      -16.72983800  energy(sigma->0) =      -16.73400631
  energy without entropy =      -16.72991845  energy(sigma->0) =      -16.73408159
  energy without entropy =      -16.73009808  energy(sigma->0) =      -16.73425050
  energy without entropy =      -16.73009588  energy(sigma->0) =      -16.73424703
  energy without entropy =      -16.73009040  energy(sigma->0) =      -16.73424173
  energy without entropy =      -16.73015655  energy(sigma->0) =      -16.73430591
  energy without entropy =      -16.73016439  energy(sigma->0) =      -16.73432121
  energy without entropy =      -16.72997145  energy(sigma->0) =      -16.73415259
  energy without entropy =      -16.72990627  energy(sigma->0) =      -16.73410153
  energy without entropy =      -16.72986420  energy(sigma->0) =      -16.73406633
  energy without entropy =      -16.72986462  energy(sigma->0) =      -16.73406892
  energy without entropy =      -16.72985441  energy(sigma->0) =      -16.73406154
  energy without entropy =      -16.72984716  energy(sigma->0) =      -16.73405996
  energy without entropy =      -16.72983852  energy(sigma->0) =      -16.73405070
  energy without entropy =      -16.72982853  energy(sigma->0) =      -16.73404435
  energy without entropy =      -16.72981590  energy(sigma->0) =      -16.73403586
  energy without entropy =      -16.72980963  energy(sigma->0) =      -16.73403065
  energy without entropy =      -16.72981218  energy(sigma->0) =      -16.73403221
 E-fermi :  -4.5221     XC(G=0):  -5.9446     alpha+bet : -5.2055
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.73411839  energy(sigma->0) =      -16.73833999
  energy without entropy =      -16.73411840  energy(sigma->0) =      -16.73834000
  energy without entropy =      -16.73411840  energy(sigma->0) =      -16.73834000
  energy without entropy =      -16.73411840  energy(sigma->0) =      -16.73834000
  energy without entropy =      -16.73411840  energy(sigma->0) =      -16.73834000
  energy without entropy =      -16.73411708  energy(sigma->0) =      -16.73833545
  energy without entropy =      -16.73410681  energy(sigma->0) =      -16.73833148
  energy without entropy =      -16.73410617  energy(sigma->0) =      -16.73833139
 E-fermi :  -4.5072     XC(G=0):  -5.9757     alpha+bet : -5.2055
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.73504168  energy(sigma->0) =      -16.73926725
  energy without entropy =      -16.73504169  energy(sigma->0) =      -16.73926726
  energy without entropy =      -16.73504169  energy(sigma->0) =      -16.73926726
  energy without entropy =      -16.73504169  energy(sigma->0) =      -16.73926726
  energy without entropy =      -16.73504169  energy(sigma->0) =      -16.73926726
  energy without entropy =      -16.73502995  energy(sigma->0) =      -16.73925913
  energy without entropy =      -16.73502270  energy(sigma->0) =      -16.73924746
  energy without entropy =      -16.73501158  energy(sigma->0) =      -16.73924414
  energy without entropy =      -16.73500878  energy(sigma->0) =      -16.73924636
  energy without entropy =      -16.73500641  energy(sigma->0) =      -16.73924673
  energy without entropy =      -16.73500990  energy(sigma->0) =      -16.73924879
 E-fermi :  -4.5080     XC(G=0):  -5.8810     alpha+bet : -5.2055
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.73613348  energy(sigma->0) =      -16.74037281
  energy without entropy =      -16.73613349  energy(sigma->0) =      -16.74037282
  energy without entropy =      -16.73613349  energy(sigma->0) =      -16.74037282
  energy without entropy =      -16.73613349  energy(sigma->0) =      -16.74037282
  energy without entropy =      -16.73613349  energy(sigma->0) =      -16.74037283
  energy without entropy =      -16.73612912  energy(sigma->0) =      -16.74036956
  energy without entropy =      -16.73612081  energy(sigma->0) =      -16.74036583
 E-fermi :  -4.5063     XC(G=0):  -5.8645     alpha+bet : -5.2056
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy without entropy =      -16.73687196  energy(sigma->0) =      -16.74111728
  energy without entropy =      -16.73687197  energy(sigma->0) =      -16.74111729
  energy without entropy =      -16.73687197  energy(sigma->0) =      -16.74111729
  energy without entropy =      -16.73687197  energy(sigma->0) =      -16.74111729
  energy without entropy =      -16.73687197  energy(sigma->0) =      -16.74111729
  energy without entropy =      -16.73687264  energy(sigma->0) =      -16.74111773
 E-fermi :  -4.5034     XC(G=0):  -5.8754     alpha+bet : -5.2056
------------------------ aborting loop because EDIFF is reached ----------------------------------------
  energy  without entropy=      -16.73687264  energy(sigma->0) =      -16.74111773
 General timing and accounting informations for this job:
