conquest/pseudo-and-pao/PBEsol/Ta/Conquest_ion_input

12 lines
158 B
Plaintext

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