conquest/pseudo-and-pao/GTH_LDA/K_q9/Conquest_ion_input

14 lines
199 B
Plaintext

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