Pseudopotential File |
Test files |
Co.pbe-n-van_gipaw.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction Is Gipaw scalar relativistic Origin: Original QE PP library Author: Matteo Calandra Generated by "atomic" code by A. Dal Corso (QE distribution) More Information: Co.pbe-n-van_gipaw.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Co.pbe-nd-rrkjus.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction 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 | |
Co.rel-pbe-nd-rrkjus.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction fully relativistic Origin: Original QE PP library Author: Unknown Generated by Andrea Dal Corso code (rrkj3) and converted to UPF v.2 format Uploaded by Pietro Delugas Classification Unverified | |
Co.pbe-sp-mt_gipaw.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Semi-core state in valence Is Gipaw scalar relativistic Origin: Original QE PP library Author: Matteo Calandra Generated by "atomic" code by A. Dal Corso (QE distribution) More Information: Co.pbe-sp-mt_gipaw.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Co.pz-nd-rrkjus.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction 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 | |
Co.rel-pz-n-rrkjus.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by "atomic" code by A. Dal Corso (QE distribution) Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Co.star1s-pbe-n-van_gipaw.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Nonlinear core correction Is Gipaw scalar relativistic Origin: Original QE PP library Author: Matteo Calandra , Generated by "atomic" code by A. Dal Corso (QE distribution) More Information: Co.star1s-pbe-n-van_gipaw.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Co.star1s-pbe-sp-mt_gipaw.UPF
Pseudopotential type: NORMCONS Method: Martins-Troullier Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Semi-core state in valence Is Gipaw scalar relativistic Origin: Original QE PP library Author: Matteo Calandra Generated by "atomic" code by A. Dal Corso (QE distribution) More Information: Co.star1s-pbe-sp-mt_gipaw.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Co.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: Community Contribution Author: Paolo Giannozzi Generated by Vanderbilt code v.7.3.4 More Information: Co.pbe-sp-van.txt Uploaded by qewpadmin Classification unverified |
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