Pseudopotential File |
Test files |
Al.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 | |
Al.blyp-n-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: Al.blyp-n-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Al.bp-n-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: BP Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: Al.bp-n-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Al.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 | |
Al.pbe-mt_fhi.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr scalar relativistic Origin: FHI PP from Abinit web site Author: unknown Generated using FHI98PP- converted with fhi2upf.x v.5.0.2 Input File: Al.pbe-mt_fhi.txt Uploaded by Layla Martin-Samos Classification unverified | |
Al.pbe-n-kjpaw_psl.0.1.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 | |
Al.pbe-n-rrkjus_psl.0.1.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 | |
Al.pbe-n-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.5 More Information: Al.pbe-n-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Al.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) Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Al.pbe-sp-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Semi-core state in valence scalar relativistic Origin: Original QE PP library Author: N. Marzari, Michael Tambe, MIT - , Generated by Vanderbilt code version 7.3.4 More Information: Al.pbe-sp-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Al.pbesol-n-kjpaw_psl.0.1.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 | |
Al.pbesol-n-rrkjus_psl.0.1.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 | |
Al.pw-mt_fhi.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Wang LDA scalar relativistic Origin: FHI PP from Abinit web site Author: unknown Generated using FHI98PP- converted with fhi2upf.x v.5.0.1 Input File: Al.pw-mt_fhi.txt Uploaded by Layla Martin-Samos Classification unverified | |
Al.pw91-n-van.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Wang 91 gradient-corrected functional Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.5 More Information: Al.pw91-n-van.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Al.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 | |
Al.pz-n-kjpaw_psl.0.1.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 | |
Al.pz-n-rrkjus_psl.0.1.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 | |
Al.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 | |
Al.rel-pbe-n-kjpaw_psl.0.2.2.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 | |
Al.rel-pbe-n-rrkjus_psl.0.2.2.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 | |
Al.rel-pbesol-n-kjpaw_psl.0.2.2.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 | |
Al.rel-pbesol-n-rrkjus_psl.0.2.2.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 | |
Al.rel-pz-n-kjpaw_psl.0.2.2.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 | |
Al.rel-pz-n-rrkjus_psl.0.2.2.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 |
