[xcrysden] pw.inp question

Ary Junior aryjunior at gmail.com
Wed Feb 13 12:05:28 CET 2008


Ok, but the problem happens in a few machines in the lab, not all... The
pw.inp file is OK... I'm using Debian 4.0 and after an upgrade, the software
has stopped working... I'm trying to understand what package is responsible
for it...

Thanks very much!!!


On 2/13/08, Tone Kokalj <tone.kokalj at ijs.si> wrote:
>
> On Tue, 2008-02-12 at 18:24 -0200, Ary Junior wrote:
> > Hi, when I try:
> >
> > xcrysden --pwi input.pw.inp
> >
> > I get an error. I've checked my "xcrys_tmp/" directory and the
> > "pwi2xsf.xsf_out" for the structure was generated, but the
> > "pwi2xsf.xsf_out.raw" was not... Anybody can help me?
>
>
> Please send me your PWscf input file. I'll check what is going on.
> (without the file, it is not possible to provide any help)
>
> Regards, Tone
>
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