Pseudopotential File |
Test files |
Ti.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 Author: akohlmey Generated by Vanderbilt code version 7.3.4 More Information: Ti.blyp-sp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Ti.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 Author: akohlmey Generated by Vanderbilt code version 7.3.4 More Information: Ti.bp-sp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Ti.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 Author: akohlmey Generated by Vanderbilt code version 7.3.4 More Information: Ti.pbe-sp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Ti.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 7.0.0 More Information: Ti.pw91-nsp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Ti.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 Author: akohlmey Generated by Vanderbilt code version 7.3.4 More Information: Ti.pw91-sp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Ti.pz-sp-van.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 7.3.5 More Information: Ti.pz-sp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Ti.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 Author: akohlmey Generated by Vanderbilt code version 7.3.4 More Information: Ti.pz-sp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |
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