LSEPB: Difference between revisions
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{{TAG|NBMOD}}, | {{TAG|NBMOD}}, | ||
{{TAG|KPUSE}}, | {{TAG|KPUSE}}, | ||
{{TAG|LSEPK}}, | |||
{{TAG|Band decomposed charge densities}} | {{TAG|Band decomposed charge densities}} | ||
Revision as of 11:06, 17 January 2017
LSEPB = [logical]
Default: LSEPB = .FALSE.
Description: Specifies whether the charge density is calculated for every band separately and written to a file PARCHG.nb.* (LSEPB=.TRUE.) or whether charge density is merged for all selected bands and written to the files PARCHG.ALLB.* or PARCHG.
Related Tags and Sections
LPARD, IBAND, EINT, NBMOD, KPUSE, LSEPK, Band decomposed charge densities