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added missing info for marking equivalent sites
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@ -288,7 +288,11 @@ In each `[Shell]` section two parameters are required:
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* **IONS** (list of integer): indices of sites included in the shell.
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* **IONS** (list of integer): indices of sites included in the shell.
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The sites can be given either by a list of integers `IONS = 5 6 7 8`
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The sites can be given either by a list of integers `IONS = 5 6 7 8`
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or by a range `IONS = 5..8`. The site indices must be compatible with
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or by a range `IONS = 5..8`. The site indices must be compatible with
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the POSCAR file.
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the POSCAR file. Morever, sites can be marked to be identical by
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grouping them with brackets, i.e. `IONS = [5 6] [7 8]` will mark the
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sites 5 and 6 in the POSCAR (and of course also 7 and 8) to be idential.
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This will mark these correlated site as equivalent, and only one
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impurity problem per bracket group is generated.
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* **LSHELL** (integer): :math:`l` quantum number of the desired local states.
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* **LSHELL** (integer): :math:`l` quantum number of the desired local states.
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It is important that a given combination of site indices and local states
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It is important that a given combination of site indices and local states
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