Pseudopotential File |
Test files |
F.pbe-n-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.5 More Information: F.pbe-n-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
F.pw91-n-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Wang 91 gradient-corrected functional Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.5 More Information: F.pw91-n-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
F.pz-van_asa.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.5 More Information: F.pz-van_asa.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |
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