PROCAR_OPT

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Revision as of 15:48, 20 March 2026 by Huebsch (talk | contribs) (Fix "values are set" → "values are positive" per source (RWIGS<=0 check))
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The PROCAR_OPT file contains the spd- and site-projected wave function character at the k points of the KPOINTS_OPT driver. It is written whenever the KPOINTS_OPT driver is active, i.e., when a KPOINTS_OPT file is present or KSPACING_OPT is set in the INCAR file, and LORBIT >= 10 or all RWIGS values are positive.

The PROCAR_OPT file has the same format as PROCAR; see that page for a detailed description.

Related tags and articles

Tags: LKPOINTS_OPT, KSPACING_OPT, LORBIT, RWIGS

Files: KPOINTS_OPT, PROCAR

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