Pseudopotential File |
Test files |
Pb.pbe-d-hgh.UPF
Pseudopotential type: NORMCONS Method: Goedecker-Hartwigsen-Hutter-Teter Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Semi-core state in valence 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 | |
Pb.pbe-dn-kjpaw_psl.0.2.2.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Semi-core state in valence 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 | |
Pb.pbe-dn-rrkjus_psl.0.2.2.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Semi-core state in valence 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 | |
Pb.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 | |
Pb.pbe-mt_fhi.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction non relativistic Origin: FHI PP from Abinit web site Author: unknown Generated using FHI98PP- converted with fhi2upf.x v.5.0.2 Input File: Pb.pbe-mt_fhi.txt Uploaded by Layla Martin-Samos Classification unverified | |
Pb.pbesol-dn-kjpaw_psl.0.2.2.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: PBESOL Semi-core state in valence 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 | |
Pb.pbesol-dn-rrkjus_psl.0.2.2.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: PBESOL Semi-core state in valence 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 | |
Pb.pw-mt_fhi.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Wang LDA Nonlinear core correction non relativistic Origin: FHI PP from Abinit web site Author: unknown Generated using FHI98PP- converted with fhi2upf.x v.5.0.1 Input File: Pb.pw-mt_fhi.txt Uploaded by Layla Martin-Samos Classification unverified | |
Pb.pz-dn-kjpaw_psl.0.2.2.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: Perdew-Zunger (LDA) exch-corr Semi-core state in valence 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 | |
Pb.pz-dn-rrkjus_psl.0.2.2.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Zunger (LDA) exch-corr Semi-core state in valence 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 | |
Pb.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 | |
Pb.rel-pbe-dn-kjpaw_psl.0.2.2.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Semi-core state in valence 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 | |
Pb.rel-pbe-dn-rrkjus_psl.0.2.2.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Semi-core state in valence 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 | |
Pb.rel-pbesol-dn-kjpaw_psl.0.2.2.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: PBESOL Semi-core state in valence 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 | |
Pb.rel-pbesol-dn-rrkjus_psl.0.2.2.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: PBESOL Semi-core state in valence 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 | |
Pb.rel-pz-dn-kjpaw_psl.0.2.2.UPF
Pseudopotential type: PAW Method: Projector Augmented-Wave (Kresse-Joubert paper) Functional type: Perdew-Zunger (LDA) exch-corr Semi-core state in valence 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 | |
Pb.rel-pz-dn-rrkjus_psl.0.2.2.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Zunger (LDA) exch-corr Semi-core state in valence 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 |
