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Added docs on projector selection routine

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Oleg E. Peil 2015-10-15 13:20:27 +02:00
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doc/vasp/source/vaspio.rst
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@ -27,3 +27,13 @@ To enhance the performance of the parser, it is implemented in plain C. The idea
that the python part of the parser first reads the first line of **LOCPROJ** and that the python part of the parser first reads the first line of **LOCPROJ** and
then calls the C-routine with necessary parameters to parse **PROJCAR**. then calls the C-routine with necessary parameters to parse **PROJCAR**.
The projectors are read in and stored in class `Plocar`. Two major data structures are stored:
* complex array `plo = nd.array((nproj, nspin, nk, nband))`
* list of projector descriptors `proj_params` containing the information on
the character of projectors
When a ProjectorShell is initialized it copies a subset of projectors corresponding
to selected sites/orbitals. This can be done by looping all shell sites/orbitals and
searching for the corresponding projector using the descriptor list `proj_params`.