[xcrysden] error in xcrysden 1.4.1 of cygwin:

[Tone Kokalj]

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)

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