conquest/pseudo-and-pao/GTH_LDA/Ir_q17/Conquest_ion_input

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General.NumberOfSpecies 1
General.PSFormat hgh
%block SpeciesLabels
1 Ir
%endblock
%block Ir
Atom.PseudopotentialFile Ir.hgh
Atom.ZetaForm com
#Atom.dE_small_radius 0.04
Atom.Perturbative_Polarised F
Atom.Cutoffs en
%endblock