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

12 lines
158 B
Plaintext

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