Pseudopotential File |
Test files |
K.blyp-n-mt.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Author: P. Giannozzi Generated by ld1 code (trou) More Information: K.blyp-n-mt.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
K.pbe-n-mt.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: Matthias Timmer Generated by "atomic" code by A. Dal Corso (QE distribution) More Information: K.pbe-n-mt.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
K.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: K.pz-n-vbc.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
K.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: K.pz-sp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |