[Wien] HfN calculation stoped after few cycles

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Sep 14 09:32:08 CEST 2005


Do not use such very different sphere sizes!

See the faq page at www.wien2k.at 

The more recent versions of WIEN2k have an automatical tool to set RMT
and you should (more or less) follow these recommendations.


> I am sorry, I forgot send case.struct file.
> 
> D.Ch.
> 


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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