[Wien] (no subject)

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Wed Jan 28 15:55:21 CET 2004

> my calculation stops after one iteration.
> The error message is
> 'RTBIS' - Root must be bracketed for bisection.
> can anyone explain this message to me?

This is an error which "must not" occur.

My guess:   Either your structure is wrong (eg. you have specified
some atoms twice (F,B lattices,!!!)) or you have selected a crazy
Emin/emax in case.in1

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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