[Wien] ROTLOC setting without w2web
Laurence Marks
L-marks at northwestern.edu
Wed Feb 21 20:32:58 CET 2007
Use init_lapw, as easy (perhaps easier) than the web interface.
On 2/21/07, jadhikari at clarku.edu <jadhikari at clarku.edu> wrote:
> Dear wien users,
>
> The w2web is not working (for time being) and I want to figure out how to
> set up local rotation matrix for the inequivalent atoms.
>
> Please let me know about setting it manually or through other approaches
> not requiring w2web.
> Thanking you.
>
> Subin
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>
--
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
EMM2007 http://ns.crys.ras.ru/EMMM07/
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