write others in R option.
thank u
ajay
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ajay
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?
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at
zeus.theochem.tuwien.ac.at]" im Auftrag von "Jameson Maibam
[j.maibam_official at yahoo.com]
Gesendet: Dienstag, 7. August 2012 08:03
An: A
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el_lp64.so:
> cannot open shared object file: No such file or directory
>
>
>
> So what is the problem? do I miss something?
>
> Thanks
> Hazem
>
>
>
>
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wrong forces?
Sincerely, Korshunov Alexey, Sarov State Physical Tecnical Institute,
Russia.
al.korshunof at gmail.com
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Hi,
according to the wien2k web page
http://www.wien2k.at/reg_user/limitations/
calculation of forces with spin-orbit is not yet implemented.
On 07/08/12 16:05, Alexey Korshunov wrote:
> Prof. Blaha and wien users.
>
> I am running wien version 11.1 on a intel core i7 machine with
Yes, they are not implemented which really means that with -so the
forces are incorrect. You have to run a position optimization without
-so and as the final step when these are zero include -so. You have to
hope that -so does not change the positions much. While this is not
ideal, until/if someone
us.theochem.tuwien.ac.at/mailman/listinfo/wien
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ssh running_node ldd $WIENROOT/lapw1c
http://linux.about.com/library/cmd/blcmdl1_ldd.htm
http://www.cyberciti.biz/tips/linux-shared-library-management.html
http://www.wien2k.at/reg_user/faq/ifort.html
The sections on shared libraries in
http://www.ghfecher.de/Fecher_CompileIntel.pdf
On Tue, Aug 7
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