Pseudopotential File |
Test files |
S.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 (trou) More Information: S.blyp-mt.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
S.blyp-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: S.blyp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
S.bp-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: BP scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: S.bp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
S.pbe-van_bm.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr scalar relativistic Origin: Original QE PP library Author: Bernd Meyer Generated by Vanderbilt code version 7.3.4 More Information: S.pbe-van_bm.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
S.pw91-n-mt.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Wang 91 gradient-corrected functional Nonlinear core correction scalar relativistic Origin: Original QE PP library Author: P. Giannozzi , Generated by ld1 code (trou) More Information: S.pw91-n-mt.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
S.pw91-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Wang 91 gradient-corrected functional scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: S.pw91-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
S.pz-bhs.UPF
Pseudopotential type: NORMCONS Method: Bachelet-Hamann-Schlueter and derived Functional type: Perdew-Zunger (LDA) exch-corr scalar relativistic Origin: Original QE PP library Author: X. Gonze et al. Generated by More Information: S.pz-bhs.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
S.pz-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Zunger (LDA) exch-corr scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: S.pz-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |
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