[xcrysden] error in xcrysden 1.4.1 of cygwin:

[Wei Zhou]

thank you for your reply

2010/8/30 Tone Kokalj <tone.kokalj at ijs.si>

> On Tue, 2010-08-17 at 23:17 +0800, Wei Zhou wrote:
> >
> > dear users,
> >
> >  I have installed the xcrysen 1.4.1 vesion of  cygwin, and I have seen
> > the readme file, the corresponding sofe have been install. when I see
> > the xsf file, or wien2k file ,the xcrysden work correctly, however,
> > when I seen the expample file of pwscf in crysdens, it dos not work.
> > the error is as following
> > Error; while executing
> > exec sh
> > ..../scripts/pwi2xsf.sh
> > /XCrySDen-1.4.1bin-shared/scripts/pwi2xsf.sh: line 131: pwi2xsf:
> > command not find
>
> Check if the pwi2xsf program is in your $XCRYSDEN_TOPDIR/bin
> directory.
>
> > in fact, the pwi2xsf.sh can work correctly, I have used it to
> > translate pwscf file.
>
> Then this is your workaround: translate the pw.x input file to xsf file
> and then load the xsf file. It is not that cumbersome as you may use the
> pipe like this:
>
> pwi2xsf.sh pw_inputfile | xcrysden --xsf -
>
> (note the "-" after the --xsf, it stands for stdin)
>
> Regards, Tone
>
> P.S.: do not try this on the EthAl001-2x2.inp example file, as this is
> very old pw.x input file, and this trick will not work.
>
> --
> Anton Kokalj
> J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
> (tel: +386-1-477-3523 // fax:+386-1-477-3822)
>
> Please, if possible, avoid sending me Word or PowerPoint attachments.
> See:  http://www.gnu.org/philosophy/no-word-attachments.html
>
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>



-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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