conquest/pseudo-and-pao/PBE/Ir/Conquest_ion_input

12 lines
158 B
Plaintext

General.NumberOfSpecies 1
%block SpeciesLabels
1 Ir
%endblock
%block Ir
Atom.PseudopotentialFile Ir.in
Atom.VKBFile Ir.pot
Atom.BasisSize medium
%endblock