conquest/pseudo-and-pao/LDA/Ag/Conquest_ion_input

12 lines
158 B
Plaintext

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