[Wien] Error in LAPW2

vishal jain vjain045 at gmail.com
Sun Jan 26 16:42:22 CET 2014


Dear All

We are getting following error after 15 scf cycle.

'LAPW2' semicore band ranges too large, ghostband?

Structure file attached with mail and initialization done with these
parameters (VXC =13 PBE, RKMAX 7.0, K-point in full BZ 100)

Thanks and Regards

Vishal Jain
Research Scholar
Department of Physics
MLSU, Udaipur
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