[Wien] how to create plane

[Laurence Marks]

You may find cryscon a useful tool -- http://www.shapesoftware.com/ .
It can read Wien2k files, do transformations of cells and output them
as cif's. (The version I have will output with f10.8 precision -- not
sure if the official one does but if not you can ask.) The atoms code
from the same company can also view both cif's and Wien2k files. They
are not expensive, and one of the most commonly used crystallographic
viewing codes.

Disclaimer: I have no financial interest in the company, just been a
satisfied user for more than 10 years.

On 10/12/06, Torsten Andersen <thor at physik.uni-kl.de> wrote:
> Dear Mr. Thapa,
>
> that would be the "struct" file. Find the (111)-plane and the
> (100)-plane from a solid-state physics or crystallography book and build
> the struct file with this plane at a fixed direction of a, b, or c. Then
> "grow" your crystal underneath, layer by layer. Finally, let the program
> "sgroup" reduce it for you, if possible.
>
> Best regards,
> Torsten Andersen.
>
> RK_Thapa wrote:
> > Dear wien users,
> > Although sounds quite silly, but can any one tell me exactly as how to
> > create the Cu(111) and (100) surfaces. Which input file one has to
> > tackle??
> > Thanks in advance.
> > RK_Thapa
> >
> > _______________________________________________
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> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
> --
> Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
> AG Hübner, Department of Physics, Kaiserslautern University
> http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/
> _______________________________________________
> 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
http://www.numis.northwestern.edu