Pseudopotential File |
Test files |
Zn.blyp-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr Semi-core state in valence scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: Zn.blyp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Zn.bp-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: BP Semi-core state in valence scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: Zn.bp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Zn.pbe-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 Generated by Vanderbilt code version 7.3.5 More Information: Zn.pbe-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Zn.pw91-n-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: Zn.pw91-n-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Zn.pw91-van_ak.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 Generated by Vanderbilt code version 7.3.4 More Information: Zn.pw91-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Zn.pz-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Zunger (LDA) exch-corr Semi-core state in valence scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: Zn.pz-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |