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https://github.com/triqs/dft_tools
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18 lines
185 B
INI
18 lines
185 B
INI
[General]
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[Group 1]
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SHELLS = 1 2
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[Shell 1]
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LSHELL = 2
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IONS = 5..8
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[Shell 2]
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LSHELL = 1
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IONS = 1..4
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RTRANSFORM = 0.0 1.0 0.0
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1.0 0.0 0.0
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0.0 0.0 1.0
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