Pseudopotential File |
Test files |
Cu.pbe-d-rrkjus.UPF
Pseudopotential type: ULTRASOFT 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: Cu.pbe-d-rrkjus.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Cu.pbe-kjpaw.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: Original QE PP library Author: "Lorenzo Paulatto" /paulatto@sissa.it/ Generated by "atomic" code by A. Dal Corso (QE distribution) Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Cu.pbe-n-van_ak.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 7.3.4 More Information: Cu.pbe-n-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Cu.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 Generated by "atomic" code by A. Dal Corso (QE distribution) More Information: Cu.pbe-n-van_gipaw.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Cu.pw91-n-van_ak.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 7.3.4 More Information: Cu.pw91-n-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Cu.pz-d-rrkjus.UPF
Pseudopotential type: ULTRASOFT Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Zunger (LDA) 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 | |
Cu.pz-n-van_ak.UPF
Pseudopotential type: ULTRASOFT Method: Vanderbilt ultrasoft Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Generated by Vanderbilt code version 7.3.4 More Information: Cu.pz-n-van_ak.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Cu.star1s-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 Generated by "atomic" code by A. Dal Corso (QE distribution) More Information: Cu.star1s-pbe-n-van_gipaw.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |
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