Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Mon Jan 19 08:32:34 CET 2004

>   I'm trying to make self consistency for PdH with the
> option LAPW (in the case.in1 , 0) but always there is
> error massege " NO ENERGY LIMIT FOUND ....) so i tried
> to follow what is written in the page "trouble shoting
> " but  with out any use , and I tried to change the
> energy ranges in the case.in1 but also i couldn't.
>   Please what to do? note that the case.inst file that
> is created by instgen puts one electron in s shell and
> I have put the ten Pd electrons in d shell.

Try it again in a new directory with a new initialization with
default values.
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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