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14 lines
145 B
INI
14 lines
145 B
INI
[General]
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[PLO Group 1]
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IONS = 5 6 7 8
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#IONS = Ni
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EMIN = -0.6
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EMAX = 2.7
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LSHELL = 2
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RTRANSFORM =
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0.0 0.0 0.0 0.0 1.0
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0.0 0.0 1.0 0.0 0.0
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