conquest/pseudo-and-pao/GTH_LDA/H_q1/Conquest_ion_input

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169 B
Plaintext

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