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

12 lines
158 B
Plaintext

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