Pseudopotential File |
Test files |
Br.pbe-van_mit.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr scalar relativistic Origin: Original QE PP library Author: Heather Kulik, MIT Generated by Vanderbilt code version 7.3.4 More Information: Br.pbe-van_mit.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Br.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: Br.pw91-mt.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Br.pz-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 Generated by ld1 code Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |