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

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225 B
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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.dE_small_radius 0.04
Atom.Cutoffs en
%endblock