LPARDH5

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Revision as of 11:27, 18 December 2024 by Wolloch (talk | contribs)

LPARDH5 = [logical]
Default: LPARDH5 = .FALSE. 

Description: Determines whether partial (band and/or k-point-decomposed) charge densities are written to vaspout.h5 instead of PARCHG.

Mind: This tag is only available as of VASP.6.5.0.

IF LPARDH5 = .TRUE., the partial charge density from a post-processing run with LPARD = .TRUE. can be analyzed with py4vasp. E.g. for the simulation of scanning tunneling microscopy (STM) images.

Related tags and articles

LPARD, IBAND, EINT, NBMOD, KPUSE, LSEPB, LSEPK, PARCHG, vaspout.h5, Band-decomposed charge densities

Examples that use this tag