[Wien] Suggestions on min_lapw

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri May 18 09:14:54 CEST 2012


> :WARNING: Step size reduced due to overlapping spheres -- check RMT
>
> Østop error
>
> Can anybody suggest what the problem is and how it can be sorted out?

What could be the problem ? And how could you solve it ?? Please "guess" it.

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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