Pseudopotential File |
Test files |
Ca.pbe-nsp-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Semi-core state in valence Nonlinear core correction scalar relativistic Origin: Original QE PP library Author: P. Giannozzi, using CAMPOS data , Generated by Vanderbilt code version 7.3.4 More Information: Ca.pbe-nsp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Ca.pw91-nsp-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Wang 91 gradient-corrected functional Semi-core state in valence Nonlinear core correction scalar relativistic Origin: Original QE PP library Author: CAMPOS , Generated by Vanderbilt code version 7.3.4 More Information: Ca.pw91-nsp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Ca.pz-n-vbc.UPF
Pseudopotential type: NORMCONS Method: Von Barth-Car (direct fit) Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Author: P. Giannozzi Generated by ld1 code Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |