ABACUS3.10.1 functional/hybrid/dispersion teaching

Readactual references: bash analyze.sh
Full20condition serial1GPUworkflow: sbatch submit.slurm
Fiveprimary workflows: LDA; GGA/explicitLibxc; SCAN/r2SCAN; matchedLCAOHSE/PBE0; bilayerD2/D3andforce consistency. Fourfinite-differenceconditionsarenumericcontrols,notnewproperties.
GNU13.3,HPCX2.50/OpenMPI5.0.10rc2,CUDA12.8,OpenBLAS0.3.30,ABACUSprivateLibxc6.2.2.
Si2 sampledKSgapsnotconvergedfundamentaloropticalgaps. LDAhasLDApotential; metaGGAwithPBEPPonlyselectiondemo.
C4ABbilayershave18Aperiodiccellandfixednominalseparations;totalvdWcorrectionisnotadhesionenergy.
Use dft_functional pbe forPBEreference; zero-mixingHSEdiagnosticnotincludedasPBEdata.
No sharedinstallationchange; CPU/V100 performance notprovided.
