[Wien] HfN calculation stoped after few cycles

[Darek Chrobak]

Peter Blaha wrote:

>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
>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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>  
>
Thank you very much for your suggestion.

D.Ch.