[Wien] Why is the case.inorb file required for use in hybrid functionals

[tran at theochem.tuwien.ac.at]

As DFT+U, the onsite hybrid functionals are implemented in the orb module,
therefore case.inorb is necessary (to specify the fraction of Hartree-Fock
exchange and to which electrons it is applied). But, you don't need to
care about case.inorb and case.indm(c) since they are created
automatically by the script runeece_lapw from case.ineece.

F. Tran

On Wed, 4 Sep 2013, Joshua Davis wrote:

> In the user-guide, it states that the case.inorb file is needed when using hybrid functionals. (option -eece).  If I am using a hybrid functional, I shouldn't need a corrective U.  Is the
> case.inorb file just used as place holder to invoke case.indm, the density matrix.
> Any help would be appreciated.
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> Joshua D. Davis
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> Graduate Assistant
> Department of Chemistry
> Michigan State University
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