[Wien] cif2struct creates an empty file
Laurence Marks
L-marks at northwestern.edu
Fri Aug 28 22:55:29 CEST 2009
Do it by hand at the terminal, e.g. "cif2struct mcg732.cif" and see
what that gives. This does not sound like problem in the
configuration.
On Fri, Aug 28, 2009 at 3:46 PM, Jonas Baltrusaitis<jasius_1 at yahoo.com> wrote:
> Hi,
>
> I just installed WIEN2k on the AMD64 based cluster, went through userconfig_lapw, started web interface, trying to create a case.
>
> When I upload mcg732.cif file and execute cif2struct, it destroys mcg732.cif file and creates and empty mcg732.outputcif2struct file. Web interface also claims that I have no mcg732.struct file yet.
>
> Admitting that something went wrong in configuration I can;t quite figure out what and where. What should I look for to execute cif2struct properly?
>
> thanks
>
> Jonas
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
--
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering to study the structure of matter.
More information about the Wien
mailing list