Pseudopotential File |
Test files |
Li.blyp-s-mt.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr Semi-core state in valence scalar relativistic Origin: Original QE PP library Author: Axel Kohlmeyer Generated by Uploaded by Layla Martin-Samos Classification controlled by Paolo Giannozzi | |
Li.blyp-s-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: Li.blyp-s-van_ak.txt Uploaded by Layla Martin-Samos Classification controlled by Paolo Giannozzi | |
Li.bp-s-mt.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: BP Semi-core state in valence scalar relativistic Origin: Original QE PP library Author: Axel Kohlmeyer Generated by Uploaded by Layla Martin-Samos Classification controlled by Paolo Giannozzi | |
Li.bp-s-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: Li.bp-s-van_ak.txt Uploaded by Layla Martin-Samos Classification controlled by Paolo Giannozzi | |
Li.pbe-n-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: Li.pbe-n-van.txt Uploaded by Layla Martin-Samos Classification controlled by Paolo Giannozzi | |
Li.pbe-s-mt.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Semi-core state in valence scalar relativistic Origin: Original QE PP library Author: Axel Kohlmeyer Generated by Uploaded by Layla Martin-Samos Classification controlled by Paolo Giannozzi | |
Li.pbe-s-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: Li.pbe-s-van_ak.txt Uploaded by Layla Martin-Samos Classification controlled by Paolo Giannozzi | |
Li.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: Li.pw91-n-van.txt Uploaded by Layla Martin-Samos Classification controlled by Paolo Giannozzi | |
Li.pw91-s-mt.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Wang 91 gradient-corrected functional Semi-core state in valence scalar relativistic Origin: Original QE PP library Author: Axel Kohlmeyer Generated by Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Li.pw91-s-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: Li.pw91-s-van_ak.txt Uploaded by Layla Martin-Samos Classification controlled by Paolo Giannozzi | |
Li.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 Layla Martin-Samos Classification controlled by Paolo Giannozzi | |
Li.pz-s-mt.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Zunger (LDA) exch-corr Semi-core state in valence scalar relativistic Origin: Original QE PP library Author: Axel Kohlmeyer Generated by Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Li.pz-s-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: Li.pz-s-van_ak.txt Uploaded by Layla Martin-Samos Classification controlled by Paolo Giannozzi |
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