Pseudopotential File |
Test files |
Se.blyp-hgh.UPF
Pseudopotential type: NORMCONS Method: Goedecker-Hartwigsen-Hutter-Teter Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr non relativistic Origin: Hartwigsen-Goedeker-Hutter PP Author: Goedecker/Hartwigsen/Hutter/Teter Generated in analytical, separable form. Converted from CPMD format using cpmd2upf v.5.0.1. Uploaded by marsamos Classification unverified | |
Se.pbe-hgh.UPF
Pseudopotential type: NORMCONS Method: Goedecker-Hartwigsen-Hutter-Teter Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr scalar relativistic Origin: Hartwigsen-Goedeker-Hutter PP Author: Goedecker/Hartwigsen/Hutter/Teter Generated in analytical separable form. Converted from CPMD format using cpmd2upf v.5.0.1. Uploaded by qewpadmin Classification unverified | |
Se.pbe-mt_fhi.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr non relativistic Origin: FHI PP from Abinit web site Author: unknown Generated using FHI98PP- converted with fhi2upf.x v.5.0.2 Input File: Se.pbe-mt_fhi.txt Uploaded by Layla Martin-Samos Classification unverified | |
Se.pbe-n-kjpaw_psl.0.2.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction scalar relativistic Origin: PS Library Author: Andrea Dal Corso Generated using atomic code by A. Dal Corso v.5.0.2 svn rev. 9415 Uploaded by Erica Vidal Classification controlled by Andrea Dal Corso | |
Se.pbe-n-rrkjus_psl.0.2.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction scalar relativistic Origin: PS Library Author: Andrea Dal Corso Generated using atomic code by A. Dal Corso v.5.0.2 svn rev. 9415 Uploaded by Erica Vidal Classification controlled by Andrea Dal Corso | |
Se.pbe-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr scalar relativistic Origin: Original QE PP library Author: N.Marzari, M.Cococcioni Generated by Vanderbilt code version 7.3.5 More Information: Se.pbe-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Se.pbesol-n-kjpaw_psl.0.2.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: PBESOL Nonlinear core correction scalar relativistic Origin: PS Library Author: Andrea Dal Corso Generated using atomic code by A. Dal Corso v.5.0.2 svn rev. 9415 Uploaded by Erica Vidal Classification controlled by Andrea Dal Corso | |
Se.pbesol-n-rrkjus_psl.0.2.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: PBESOL Nonlinear core correction scalar relativistic Origin: PS Library Author: Andrea Dal Corso Generated using atomic code by A. Dal Corso v.5.0.2 svn rev. 9415 Uploaded by Erica Vidal Classification controlled by Andrea Dal Corso | |
Se.pw-mt_fhi.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Wang LDA non relativistic Origin: FHI PP from Abinit web site Author: unknown Generated using FHI98PP- converted with fhi2upf.x v.5.0.1 Input File: Se.pw-mt_fhi.txt Uploaded by Layla Martin-Samos Classification unverified | |
Se.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: Se.pz-bhs.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Se.pz-hgh.UPF
Pseudopotential type: NORMCONS Method: Goedecker-Hartwigsen-Hutter-Teter Functional type: Perdew-Zunger (LDA) exch-corr non relativistic Origin: Hartwigsen-Goedeker-Hutter PP Author: Goedecker/Hartwigsen/Hutter/Teter Generated in analytical, separable form. Converted from CPMD format using cpmd2upf v.5.0.1. Uploaded by marsamos Classification unverified | |
Se.pz-n-kjpaw_psl.0.2.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction scalar relativistic Origin: PS Library Author: Andrea Dal Corso Generated using atomic code by A. Dal Corso v.5.0.2 svn rev. 9415 Uploaded by Erica Vidal Classification controlled by Andrea Dal Corso | |
Se.pz-n-rrkjus_psl.0.2.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction scalar relativistic Origin: PS Library Author: Andrea Dal Corso Generated using atomic code by A. Dal Corso v.5.0.2 svn rev. 9415 Uploaded by Erica Vidal Classification controlled by Andrea Dal Corso | |
Se.rel-pbe-n-kjpaw_psl.0.2.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction full relativistic Origin: PS Library Author: Andrea Dal Corso Generated using atomic code by A. Dal Corso v.5.0.2 svn rev. 9415 Uploaded by Erica Vidal Classification controlled by Andrea Dal Corso | |
Se.rel-pbe-n-rrkjus_psl.0.2.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction full relativistic Origin: PS Library Author: Andrea Dal Corso Generated using atomic code by A. Dal Corso v.5.0.2 svn rev. 9415 Uploaded by Erica Vidal Classification controlled by Andrea Dal Corso | |
Se.rel-pbesol-n-kjpaw_psl.0.2.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: PBESOL Nonlinear core correction full relativistic Origin: PS Library Author: Andrea Dal Corso Generated using atomic code by A. Dal Corso v.5.0.2 svn rev. 9415 Uploaded by Erica Vidal Classification controlled by Andrea Dal Corso | |
Se.rel-pbesol-n-rrkjus_psl.0.2.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: PBESOL Nonlinear core correction full relativistic Origin: PS Library Author: Andrea Dal Corso Generated using atomic code by A. Dal Corso v.5.0.2 svn rev. 9415 Uploaded by Erica Vidal Classification controlled by Andrea Dal Corso | |
Se.rel-pz-n-kjpaw_psl.0.2.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction full relativistic Origin: PS Library Author: Andrea Dal Corso Generated using atomic code by A. Dal Corso v.5.0.2 svn rev. 9415 Uploaded by Erica Vidal Classification controlled by Andrea Dal Corso | |
Se.rel-pz-n-rrkjus_psl.0.2.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction full relativistic Origin: PS Library Author: Andrea Dal Corso Generated using atomic code by A. Dal Corso v.5.0.2 svn rev. 9415 Uploaded by Erica Vidal Classification controlled by Andrea Dal Corso |
