LPARDH5: Revision history

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18 December 2024

  • curprev 14:0214:02, 18 December 2024Wolloch talk contribs 1,208 bytes +377 No edit summary
  • curprev 11:2711:27, 18 December 2024Wolloch talk contribs 831 bytes +37 No edit summary
  • curprev 11:2311:23, 18 December 2024Wolloch talk contribs 794 bytes +794 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...."