Pseudopotential File |
Test files |
Te.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 | |
Te.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 | |
Te.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 | |
Te.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 | |
Te.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: Te.pbe-mt_fhi.txt Uploaded by Layla Martin-Samos Classification unverified | |
Te.pbe-rrkj.UPF
Pseudopotential type: NORMCONS 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) More Information: Te.pbe-rrkj.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Te.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 | |
Te.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 | |
Te.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: Te.pw-mt_fhi.txt Uploaded by Layla Martin-Samos Classification unverified | |
Te.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: Te.pz-bhs.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Te.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 | |
Te.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 | |
Te.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 | |
Te.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 | |
Te.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 | |
Te.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 | |
Te.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 | |
Te.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 | |
Te.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 |
