[xcrysden] plot automatically DataGrid

[Tone Kokalj]

On Thu, 2013-06-13 at 19:18 +0200, Tobias wrote:
> After handing over one or more .xsf-files containing one or
> multiple wavefunctions. This Bourne-shell script plots the
> handed over xsf-files, after deviding it into multiple xsf-files in case of multiple SUBBLOCKS.
> The one wavefunction XSF files are plotted each from two different
> angles and are stored in "new_wf".
> 
> Hope it helps someone out there.

Tobias,

Thanks for sharing your instructive "troubleshooting" experience with
xcrysden scripting and its embedding into shell-scripts. Hope it will
help somebody ...

For those users interested in scripting, I am add that in addition to
Tobias script that is another shell script example with embedded
xcrysden-scripting in xcrysden's examples/ directory, i.e.:
examples/Scripting/plot_all_MO.sh 
(it contains some explanation).

Regards,
-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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