Pseudopotential File |
Test files |
Be.pbe-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: A.Allouche Generated by "atomic" code by A. Dal Corso (QE distribution) More Information: Be.pbe-rrkjus.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Be.pz-n-vbc.UPF
Pseudopotential type: NORMCONS Method: Von Barth-Car (direct fit) Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Author: Stefano de Gironcoli Generated by ld1 code More Information: Be.pz-n-vbc.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi | |
Be.star1s-pz-n-vbc.UPF
Pseudopotential type: NORMCONS Method: Von Barth-Car (direct fit) Functional type: Perdew-Zunger (LDA) exch-corr Nonlinear core correction scalar relativistic Origin: Original QE PP library Author: Stefano de Gironcoli Generated by ld1 code Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |