Pseudopotential File |
Test files |
Si.pbe-mt_gipaw.UPF
Origin: Original QE PP Library Author: Generated by new atomic code, or converted to UPF format Pseudopotential type: NC Functional type: PBE Non Linear Core Correction Non relativistic | |
Si.pbe-n-van.UPF
Origin: Original QE PP Library Author: Generated by new atomic code, or converted to UPF format Pseudopotential type: US Functional type: SLA PW PBE PBE Non Linear Core Correction Non relativistic | |
Si.pbe-rrkj.UPF
Origin: Original QE PP Library Author: Generated by new atomic code, or converted to UPF format Pseudopotential type: NC Functional type: SLA PW PBE PBE Non Linear Core Correction Non relativistic | |
Si.pbe-van_gipaw.UPF
Origin: Original QE PP Library Author: Generated by new atomic code, or converted to UPF format Pseudopotential type: US Functional type: PBE Non Linear Core Correction Non relativistic | |
Si.pw91-n-van.UPF
Origin: Original QE PP Library Author: Generated by new atomic code, or converted to UPF format Pseudopotential type: US Functional type: SLA PW GGX GGC Non Linear Core Correction Non relativistic | |
Si.pz-vbc.UPF
Origin: Original QE PP Library Author: Generated by new atomic code, or converted to UPF format Pseudopotential type: NC Functional type: PERDEW-ZUNGER (LDA) exch-corr Non Linear Core Correction Non relativistic | |
Si.star1s-pbe-mt_gipaw.UPF
Origin: Original QE PP Library Author: Generated by new atomic code, or converted to UPF format Pseudopotential type: NC Functional type: PBE Non Linear Core Correction Non relativistic | |
Si.star1s-pbe-van_gipaw.UPF
Origin: Original QE PP Library Author: Generated by new atomic code, or converted to UPF format Pseudopotential type: US Functional type: PBE Non Linear Core Correction Non relativistic | |
Si.tpss-mt.UPF
Origin: Original QE PP Library Author: Generated by new atomic code, or converted to UPF format Pseudopotential type: NC Functional type: SLA PW TPSS TPSS Non Linear Core Correction Non relativistic | |
Si.rel-pbe-rrkj.UPF
Origin: Original QE PP Library Author: Generated by new atomic code, or converted to UPF format Pseudopotential type: NC Functional type: PBE Non Linear Core Correction Full relativistic |