Pseudopotential File |
Test files |
H.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: H.blyp-van_ak.txt Uploaded by Layla Martin-Samos Classification controlled by Paolo Giannozzi | |
H.blyp-vbc.UPF
Pseudopotential type: NORMCONS Method: Von Barth-Car (direct fit) 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: H.blyp-vbc.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.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: H.bp-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.coulomb-ae.UPF
Pseudopotential type: COULOMB POTENTIAL Method: All-Electron (no pseudization) Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr scalar relativistic Origin: Original QE PP library Author: PG Generated by "atomic" code by A. Dal Corso (QE distribution) More Information: H.coulomb-ae.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.pbe-kjpaw.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr scalar relativistic Origin: Original QE PP library Author: "Lorenzo Paulatto" /paulatto@sissa.it/ Generated by "atomic" code by A. Dal Corso (QE distribution) Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.pbe-rrkjus.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr scalar relativistic Origin: Original QE PP library Author: Andrea Dal Corso Generated by Andrea Dal Corso code (rrkj3) Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.pbe-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: H.pbe-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.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: H.pbe-van_bm.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.pbe-vbc.UPF
Pseudopotential type: NORMCONS Method: Von Barth-Car (direct fit) Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr scalar relativistic Origin: Original QE PP library Author: Sit and Marzari , Generated by Vanderbilt code version 7.3.2 Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.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: H.pw91-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.pz-kjpaw.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: Perdew-Zunger (LDA) exch-corr scalar relativistic Origin: Original QE PP library Author: "Lorenzo Paulatto" /paulatto@sissa.it/ Generated by "atomic" code by A. Dal Corso (QE distribution) Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.pz-rrkjus.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Zunger (LDA) exch-corr scalar relativistic Origin: Original QE PP library Author: Andrea Dal Corso Generated by Andrea Dal Corso code (rrkj3) Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.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: H.pz-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.pz-vbc.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: P. Giannozzi Generated by ld1 code Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.pz-vbc_050.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: P. Giannozzi Generated by Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.pz-vbc_075.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: P. Giannozzi Generated by Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.pz-vbc_125.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: P. Giannozzi Generated by Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.pz-vbc_150.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: P. Giannozzi Generated by Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
H.tpss-mt.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Tao-Perdew-Staroverov-Scuseria (TPSS) meta-GGA scalar relativistic Origin: Original QE PP library Author: Xiaofei Wang/Carlo Sbraccia Generated by modified version of ld1 code for metaGGA Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |