conquest/pseudo-and-pao/GTH_LDA/K_q1/Conquest_ion_input

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195 B
Plaintext

General.NumberOfSpecies 1
General.PSFormat hgh
%block SpeciesLabels
1 K
%endblock
%block K
Atom.PseudopotentialFile K.hgh
Atom.ZetaForm com
Atom.dE_small_radius 0.02
Atom.Cutoffs en
%endblock