[xcrysden] Drawing of Different planes in a Unit cell Using XCRYSDEN?

[Gabriele Sclauzero]

Dear Sonu,
    as far as I know, from PWscf data in 3D format with xcrysden you can 
draw only planes perpendicular to one of the three crystal axis, hence 
planes corresponding to FFT planes. You have as many planes as the FFT 
planes corresponding to the basis set of your calculation (grep FFT in 
the pw.x output file). If you want other planes you must either rotate 
your system in the PWscf calculation or use the 2D plot mode of pp.x, 
which allows to select an arbitrary plane and uses FFT interpolation.

HTH

GS

On 07/14/2010 07:48 AM, sonu kumar wrote:
> Dear All,
>
> 1).
>     Is it possible to draw planes in a unit cell using
>     XCRYSDEN?
>
> 2).
>     How can i draw different  planes?
>
>  I am using Quantum Espresso with Xcrysden.
>
> -- 
> Sonu Kumar
>
> Phd Student
> Physics Department
> Indian Institute of Technology
> Delhi-110016, India
> web:-http://www.iitd.ac.in/
>
>
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>    


-- 

Gabriele Sclauzero, EPFL SB ITP CSEA
PH H2 462, Station 3, CH-1015 Lausanne

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