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Committer:
Nick Papior
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Date:
2018-06-26 08:16:55 UTC
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Revision ID:
nickpapior@gmail.com-20180626081655-ry9oegrkixpixsgo
Enabled an LDOS kgrid instead of the SCF one
This enables one to fine-tune the LDOS calculation
although it should be less sensitive it may be useful.
This commit also changes the following:
1) All kpoints_* are renamed to kpoint_* for clarity.
2) The LDOS and PDOS k-points are defaulted to the DOS k-points
and thus have a common reference. This means that one can specify:
DOS.kgrid.Cutoff
which will act as k-grid for LDOS and PDOS calculations.
3) reset_kpoint* routines have been added which cleans the memory
upon siesta exit.
4) Changed local_DOS.F to local_DOS.F90