[Pw_forum] forming super cell - reg.,

Sanjeev Gupta physics.skgupta at gmail.com
Wed Jan 22 04:28:11 CET 2014


Dear Muthu

Plz follow the following link:
http://qe-forge.org/pipermail/pw_forum/2009-April/087059.html
there is plenty ways to create supercell.

bests
sanjeev


On Tue, Jan 21, 2014 at 5:27 PM, Muthu V <muthu.physicsmath at gmail.com>wrote:

> Dear QE users
>
> i want to create supercell of Si and iO2 from their unitcell. i searched
> and there are some topics on this issue in this forum
>
> *Tone Kokalj* tone.kokalj at ijs.si
> <xcrysden%40democritos.it?Subject=%5Bxcrysden%5D%20simple%20question%20about%20building%20supercells&In-Reply-To=20120316204519.M14952%40proto.fisica.ufmg.br>
> *Wed Mar 21 11:24:27 CET 2012*
>
> nut it still not working for both Si and TiO2. can anyone help in this
> regard. ie how to get atomic coordinates of super cell build using xcrysden.
>
> thank you
>
> *_________________________ *
>
>
>
> *Muthu.V Madurai Kamaraj University __________________________*
>
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> Pw_forum at pwscf.org
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>



-- 
With Best Regards,

------------------------------------
Dr. Sanjeev Kumar Gupta
Fulbright Post-Doctoral Scholar
Dept. of Physics
Michigan Technological University
1400 Townsend Drive, Houghton
MI 49931, USA
------------------------------------
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