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General.NumberOfSpecies 1
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|
# If you want the 4d shell to be semi-core, uncomment the line below
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|
# General.SemicoreEnergy -0.40
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|
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%block SpeciesLabels
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1 Cd
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|
%endblock
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%block Cd
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Atom.PseudopotentialFile Cd.in
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Atom.VKBFile Cd.pot
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Atom.BasisSize medium
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%endblock
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