Pseudopotential File |
Test files |
Na.blyp-sp-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: Na.blyp-sp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Na.bp-sp-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: Na.bp-sp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Na.pbe-n-mt_bw.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Author: Brandon Wood Generated by ld1 code More Information: Na.pbe-n-mt_bw.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Na.pbe-sp-van_ak.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 7.3.4 More Information: Na.pbe-sp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Na.pw91-n-mt.UPF
Pseudopotential type: NORMCONS Method: Von Barth-Car (direct fit) Functional type: Perdew-Wang 91 gradient-corrected functional Nonlinear core correction scalar relativistic Origin: Original QE PP library Author: Davide Ceresoli Generated by ld1 code Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Na.pw91-sp-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: Na.pw91-sp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Na.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 More Information: Na.pz-n-vbc.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Na.pz-sp-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: Na.pz-sp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |
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