Pseudopotential File |
Test files |
Al.blyp-n-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: Al.blyp-n-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Al.bp-n-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: BP Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: Al.bp-n-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Al.pbe-n-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.5 More Information: Al.pbe-n-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Al.pbe-rrkj.UPF
Pseudopotential type: NORMCONS Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr scalar relativistic Origin: Original QE PP library Author: Andrea Dal Corso Generated by Andrea Dal Corso code (rrkj3) Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Al.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: N. Marzari, Michael Tambe, MIT - , Generated by Vanderbilt code version 7.3.4 More Information: Al.pbe-sp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Al.pw91-n-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Wang 91 gradient-corrected functional Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.5 More Information: Al.pw91-n-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Al.pz-vbc.UPF
Pseudopotential type: NORMCONS Method: Von Barth-Car (direct fit) Functional type: Perdew-Zunger (LDA) exch-corr scalar relativistic Origin: Original QE PP library Author: P. Giannozzi Generated by ld1 code Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |
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