LPARD: Revision history

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14 June 2024

13 June 2024

14 February 2024

9 February 2024

6 February 2024

5 February 2024

  • curprev 10:1110:11, 5 February 2024Wolloch talk contribs 1,540 bytes +1,540 Created page with "{{TAGDEF|LPARD|[logical]|.FALSE.}} Description: Determines whether partial (band and/or '''k''' point decomposed) charge densities are evaluated. ---- A {{TAG|LPARD}} calculation is a postprocessing step that requires a pre-converged calculation. It writes the partial density, or multiple partial charge densities, to one {{FILE|PARCHG}} file or several PARCHG.*.* files, depending of the setting of {{TAG|LSEPB}} and {{TAG|LSEPK}}. {{NB|warning| The orbitals read from th..."