[Pw_forum] Xspectra calculation

[matteo calandra]

Dear Wumindt2,

   the fact that different polarization directions can be equivalent or not
in a solid depends only on the symmetry of your lattice (thus on the crystal
structure) only.
So the general response to your question is given by the theory of crystal
symmetries.

M.


> ----------------------------------------------------------------------
>
> Message: 1
> Date: Sat, 09 Oct 2010 11:11:16 +0800
> From: "wumindt2" <wumindt2 at zju.edu.cn>
> Subject: [Pw_forum] Xspectra calculation
> To: pw_forum at pwscf.org
> Message-ID: <ZMUVUBSHXNIHQNYRTIVJFHNAQDHR.wumindt2 at zju.edu.cn>
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> Dear Xspectra users,
>
> I met a problem when calculating the X-ray absorption spectra with  
> the Xspectra code.
> Concern about the polarization, ?// is the polarization along the c  
> axis, while ?? is the polariztion
> in the plane.  It's easy to define the ?// , since normally (0,0,1)  
> is the direction of c axis.
> But for ?? polarization, what does "in plane" mean? Are any  
> directions in the a,b plane
> will cause the same result? For instance, will (1,0,0) ,(0,1,0) or  
> (1,1,0) polarization direction
> have the same spectra?
>
> Thank you very much for any help.
>
> Cheers,
>
> Min Wu
> 2010-10-8
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