[Wien] LDA+U

Haranath Ghosh ghoshharanath at yahoo.com
Tue Apr 3 07:11:48 CEST 2012


Is there any option to use LDA+U for oxygen or Halogen atoms in any current form of WIEN ?  If so where input should be put. When I use case.inorb it gives error and do not complete the scf run.
 
Looking forward to listen.  Thanks.

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