Oleg E. Peil f96e4dfe9e Added consistency check of projector characters ...

Since in the new implementation the projectors produced by VASP
are output only for selected functions it is necessary to check
that input cfg-file specifies only those projectors that were selected
in the INCAR file. The consistency routine checks for every shell
and site/orbital character that a corresponding projector is present
in PROJCAR.

2015-10-14 19:32:12 +02:00

..

examples/simple

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test

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.gitignore

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elstruct.py

Renamed 'params' to 'proj_params' in class Plocar

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inpconf.py

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main.py

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plotools.py

Added consistency check of projector characters

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vaspio.py

Renamed 'params' to 'proj_params' in class Plocar

2015-10-14 17:44:01 +02:00