17 lines
292 B
Plaintext
17 lines
292 B
Plaintext
General.NumberOfSpecies 1
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General.PSFormat hgh
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General.KBThresh 1e-6
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%block SpeciesLabels
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1 Cs
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%endblock
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%block Cs
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Atom.PseudopotentialFile Cs.hgh
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Atom.ZetaForm com
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Atom.Perturbative_Polarised F
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Atom.dE_small_radius 0.010
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Atom.dE_large_radius_semicore_hgh 0.0001
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Atom.Cutoffs en
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%endblock
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