conquest/pseudo-and-pao/GTH_PBE/In_q13/Conquest_ion_input

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198 B
Plaintext

General.NumberOfSpecies 1
General.PSFormat hgh
%block SpeciesLabels
1 In
%endblock
%block In
Atom.PseudopotentialFile In.hgh
Atom.ZetaForm com
Atom.dE_small_radius 0.03
Atom.Cutoffs en
%endblock