[Wien] mbj ghostbands
ali ghafari
aaghafari at yahoo.com
Thu May 10 12:52:24 CEST 2012
Dear Prof.Blaha
I successfully applied the mbj potential to several compounds.
Recently, I am trying it for Bi-2212 cuprates. unfortunately, in the third
step at iteration 5, the error papers which is related to ghostbands.
While GGA can be done without any error.
Regarding mailing list and UG I changed individually and together some parameters
such as RMT,lmax, and Etrial. But the problem still exist. What should I do?
Best Regards
Ali
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