PROCAR: Difference between revisions

Revision as of 22:48, 28 September 2017

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 NPAR $\ne$ 1.

Contents

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