PROCAR: Difference between revisions
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[[ | [[Category:Files]][[Category:Output Files]] | ||
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Revision as of 15:14, 22 February 2019
For static calculations, the file PROCAR contains the spd- and site projected wave function character of each band. The wave function character is calculated by projecting the wave functions onto spherical harmonics that are non zero within spheres of a radius RWIGS around each ion. RWIGS must be specified in the INCAR file in order to obtain the file.
Mind: The spd- and site projected character of each band is not evaluated in the parallel version if NPAR1.