[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
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------
More information about the Wien
mailing list