[Wien] Why is the case.inorb file required for use in hybrid functionals
Joshua Davis
davis101 at chemistry.msu.edu
Wed Sep 4 19:01:06 CEST 2013
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
Graduate Assistant
Department of Chemistry
Michigan State University
578 S. Shaw Lane****, room 432**
East Lansing, MI 48824
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