[Wien] calculation stops in lapw2

[Peter Blaha]

The calculation stops in LAPW2.

Any hints in *.output2*   or *.scf2* ?

Either use different FERMI-method (as discussed before in the mailing list), or
check if you have enough eigenvalues,....


Karsten Meyer schrieb:
> Dear Subscribers,
> 
> I get the error below. The message in the logfile is everything but helpful. Any hints on how to fix this ?
> 
> Thanks
> 
> K.
> 
> 
> ---------------------------------------------
> wien2k > run_lapw -p -ec 0.0001
> STOP  LAPW0 END
> STOP  LAPW1 END
> STOP FERMIG
> 
>>   stop error
> 

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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