Pseudopotential File |
Test files |
In.pbe-d-rrkjus.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: Original QE PP library Author: Hande Ustunel Generated by "atomic" code by A. Dal Corso (QE distribution) More Information: In.pbe-d-rrkjus.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
In.pz-bhs.UPF
Pseudopotential type: ULTRASOFT 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: In.pz-bhs.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
In.pz-d-rrkjus.UPF
Pseudopotential type: NORMCONS Method: Rappe Rabe Kaxiras Joannopoulos Functional type: Perdew-Zunger (LDA) exch-corr Semi-core state in valence Nonlinear core correction scalar relativistic Origin: Original QE PP library Author: Hande Ustunel Generated by "atomic" code by A. Dal Corso (QE distribution) More Information: In.pz-d-rrkjus.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
In.pz-n-bhs.UPF
Pseudopotential type: NORMCONS Method: Bachelet-Hamann-Schlueter and derived Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Author: P. Giannozzi/X. Gonze et al , Generated by ld1 code More Information: In.pz-n-bhs.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |
Pseudo search results
