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7.45 LORBIT

 

Available up from VASP version 3.2.

Default .FALSE.
This flag determines together with an appropriate RWIGS (see section 7.29) whether the PROOUT file (see section 5.21) should be written out or not. This file contains the projection of the wavefunctions onto spherical harmonics centered at the position of the ions ( tex2html_wrap_inline4487 ) and the corresponding augmentation part.

This information can be used to construct e.g. partial DOSs projected onto molecular orbitals or the so-called coop ( crystal overlap population function).



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Mon Mar 29 10:38:29 MEST 1999