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

14 lines
242 B
Plaintext

General.NumberOfSpecies 1
# The 4d shell really is semi-core so adjust the cutoff
General.SemicoreEnergy -0.9
%block SpeciesLabels
1 Sn
%endblock
%block Sn
Atom.PseudopotentialFile Sn.in
Atom.VKBFile Sn.pot
Atom.BasisSize medium
%endblock