Pseudopotential File |
Test files |
As.pbe-n-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.5 More Information: As.pbe-n-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
As.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: As.pw91-n-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
As.pz-bhs.UPF
Pseudopotential type: NORMCONS Method: Bachelet-Hamann-Schlueter and derived Functional type: Perdew-Zunger (LDA) exch-corr scalar relativistic Origin: Original QE PP library Author: X. Gonze et al Generated by More Information: As.pz-bhs.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |