Pseudopotential File |
Test files |
Ir.pbe-n-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: Dario Alfe Generated by "atomic" code by A. Dal Corso (QE distribution) More Information: Ir.pbe-n-rrkjus.txt Uploaded by Erica Vidal Classification controlled by Paolo Giannozzi |