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

[vicky singh]

Dear Prof. Sclauzero

sorry I could not understand the meaning of your statement

'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.'

what is the meaning or rotation here. could you please explain.

with regards
vickysingh
research student, Bangalore
On Fri, Jul 16, 2010 at 1:33 PM, Gabriele Sclauzero <sclauzer at sissa.it>wrote:

>  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/
>
>
> _______________________________________________
> XCrySDen mailing listXCrySDen at democritos.ithttp://www.democritos.it/mailman/listinfo/xcrysden
>
>
>
> --
>
> Gabriele Sclauzero, EPFL SB ITP CSEA
> PH H2 462, Station 3, CH-1015 Lausanne
>
>
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