Pseudopotential File |
Test files |
Cl.blyp-mt.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr scalar relativistic Origin: Original QE PP library Author: P. Giannozzi , Generated by ld1 code More Information: Cl.blyp-mt.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Cl.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 Author: P. Giannozzi, using CAMPOS data Generated by Vanderbilt code version 7.3.4 More Information: Cl.pbe-n-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Cl.pw91-mt.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Wang 91 gradient-corrected functional scalar relativistic Origin: Original QE PP library Author: P. Giannozzi , Generated by ld1 code (trou) More Information: Cl.pw91-mt.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Cl.pz-bhs.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: X. Gonze et al. Generated by More Information: Cl.pz-bhs.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |