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https://github.com/triqs/dft_tools
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1f57cd1935
Added a check to 'check_data_consistency()' that verifies that each shell contains only one sort of ions. Also added a non-functioning test (implementation is commented) for the function. It requires a full set of VASP files for an example with multiple atom sorts.
9 lines
63 B
INI
9 lines
63 B
INI
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[Shell 1]
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LSHELL = 2
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IONS = 4 5 6 7
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EMIN = -15.0
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EMAX = 5.0
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