Pseudopotential File |
Test files |
Cr.pbe-sp-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Semi-core state in valence scalar relativistic Origin: Original QE PP library Author: P. Giannozzi , Generated by Vanderbilt code version 7.3.4 More Information: Cr.pbe-sp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Cr.pw91-sp-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Wang 91 gradient-corrected functional Semi-core state in valence scalar relativistic Origin: Original QE PP library Author: P. Giannozzi Generated by Vanderbilt code version 7.3.2 More Information: Cr.pw91-sp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |