[Pw_forum] atomic positions

Duy Le ttduyle at gmail.com
Sat Jan 1 18:34:38 CET 2011


I believe that you can find detailed description here
http://www.quantum-espresso.org/input-syntax/INPUT_PW.html
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Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"



On Sat, Jan 1, 2011 at 4:26 AM, Abolore Musari <abmus007 at gmail.com> wrote:
> Dear QE User,
> I need help concerning the atomic positions to compute the band structure of
> materials am working on. Pls take Sio2 in the examples file as an example.
> pls i need u to explain in details how the atomic positions of the elements
> of sio2 are gotten so that I can apply the same method to get mine. Pls  I
> really need a detailed explanation
> Thanks and happy new year to all
>
> Abolore Abdulganiy
> Dept of physics
> University of ibadan, Nigeria
>
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