[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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