Pseudopotential File |
Test files |
La.pbe-n-bpaw.UPF
Pseudopotential type: ULTRASOFT Method: Projector Augmented-Wave (original Bloechl recipe) Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Author: SavaÅŸ AÄžDUK Generated by Atompaw code More Information: La.pbe-n-bpaw.pdf Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
La.pbe-nsp-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: La.pbe-nsp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
La.pw91-nsp-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: La.pw91-nsp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |
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