conquest/pseudo-and-pao/GTH_PBE/Al_q3/Conquest_ion_input

13 lines
172 B
Plaintext

General.NumberOfSpecies 1
General.PSFormat hgh
%block SpeciesLabels
1 Al
%endblock
%block Al
Atom.PseudopotentialFile Al.hgh
Atom.ZetaForm com
Atom.Cutoffs en
%endblock