Pseudopotential File |
Test files |
Os.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: Os.pbe-n-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Os.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: Os.pw91-n-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |