Pseudopotential File |
Test files |
Pt.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 Scalar relativistic | |
Pt.pbe-nd-rrkjus.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 Scalar relativistic | |
Pt.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 Scalar relativistic | |
Pt.pz-nd-rrkjus.UPF
Origin: Original QE PP Library Author: Generated by new atomic code, or converted to UPF format Pseudopotential type: US Functional type: PERDEW-ZUNGER (LDA) exch-corr Non Linear Core Correction Scalar relativistic | |
Pt.pz-rrkjus.UPF
Origin: Original QE PP Library Author: Generated by new atomic code, or converted to UPF format Pseudopotential type: US Functional type: PERDEW-ZUNGER (LDA) exch-corr Non Linear Core Correction Scalar relativistic | |
Pt.rel-pbe-n-rrkjus.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 Full relativistic |