Pseudopotential File |
Test files |
Zr.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 Generated by Vanderbilt code version 7.3.5 More Information: Zr.pbe-nsp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Zr.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 Generated by Vanderbilt code version 7.3.5 More Information: Zr.pw91-nsp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Zr.pw91-sp-rrkjus.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos 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 Andrea Dal Corso code (rrkj3) More Information: Zr.pw91-sp-rrkjus.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |