LPARDH5: Difference between revisions
(Created page with "{{TAGDEF|LPARDH5|[logical]|.FALSE.}} Description: Determines whether partial (band and/or '''k'''-point-decomposed) charge densities are written to {{FILE|vaspout.h5}} instead of {{FILE|PARCHG}}. {{NB|mind|This tag is only available as of VASP.6.5.0.}} ---- IF {{TAG|LPARDH5}} = .TRUE., the partial charge density from a post-processing run with {{TAG|LPARD}} = .TRUE. can be analyzed with {{py4vasp}}. E.g. for the simulation of scanning tunneling microscopy (STM) images....") |
(No difference)
|
Revision as of 11:23, 18 December 2024
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