[Wien] error in Hybrid functional calculation

Anurag Chaudhry anuragchaudhry at yahoo.co.uk
Wed Dec 10 14:37:57 CET 2008


Hello Everyone,

I am trying to do a hybrid functional calculation with WIEN2K but came across a strange error listed below

STOP LAPW2 - FERMI; weighs written
STOP  LAPW2 END
STOP  LAPW2 END
STOP  LAPW2 END
STOP  LAPW2 END
STOP  SUMPARA END
STOP  LAPW0 END
STOP nlm1 too large

>   stop error
 
I was trying to find in the UG what "nlml" is but didn't find any match.  can anyone please suggest how to proceed forward ?

Input files .struct, .ineece, .inst and the dayfile are attached.

thanks and regards,
Anurag


      
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