conquest/pseudo-and-pao/GTH_LDA/Zr_q12/Conquest_ion_input

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General.NumberOfSpecies 1
General.PSFormat hgh
General.KBThresh 1e-7
%block SpeciesLabels
1 Zr
%endblock
%block Zr
Atom.PseudopotentialFile Zr.hgh
Atom.ZetaForm com
Atom.Perturbative_Polarised F
Atom.dE_small_radius 0.05
Atom.Cutoffs en
%endblock