[Wien] hi

Dr. B.R.Sahu sahu at matter3.ph.utexas.edu
Tue Aug 26 00:04:24 CEST 2003


Dear Prof. Blaha
 
 I have not tested for 5 or 10 kpts. 

I will test for 5 or 10 kpt and 40 kpt with '-xf' in lapwsopara_lapw and 
let you know.

regards
sahu




On Mon, 25 Aug 2003, Peter Blaha wrote:

> The runsp script behaves ok. It checks for an error file and this is
> present, so it exits.
> 
> The error is in lapwsopara. We need to know the reason for "subscript out
> of range". So please put -xf in lapwsopara.
> 
> > STOP LAPWSO END
> > STOP LAPWSO END
> > Subscript out of range.
> 
> Also: does the same error comes up when you use eg. only 5 or 10 k-points?
> 
> 
>                                       P.Blaha
> --------------------------------------------------------------------------
> 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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