conquest/pseudo-and-pao/GTH_PBE_PCC/C_q4/Conquest_ion_input

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169 B
Plaintext

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