Pseudopotential File |
Test files |
Ir.pbe-n-kjpaw_psl.0.2.3.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 | |
Ir.pbe-n-rrkjus_psl.0.2.3.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 | |
Ir.pbesol-n-kjpaw_psl.0.2.3.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 | |
Ir.pbesol-n-rrkjus_psl.0.2.3.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 | |
Ir.pz-n-kjpaw_psl.0.2.3.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 | |
Ir.pz-n-rrkjus_psl.0.2.3.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 | |
Ir.rel-pbe-n-kjpaw_psl.0.2.3.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 | |
Ir.rel-pbe-n-rrkjus_psl.0.2.3.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 | |
Ir.rel-pbesol-n-kjpaw_psl.0.2.3.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 | |
Ir.rel-pbesol-n-rrkjus_psl.0.2.3.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 | |
Ir.rel-pz-n-kjpaw_psl.0.2.3.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 | |
Ir.rel-pz-n-rrkjus_psl.0.2.3.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 |
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