[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
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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