LPARDH5
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