Dear matteo, Thanks.
For dichroism compound, do we just need the in-plane and the c-axis polarization vectors? While for trichroism compound, do we need to calculate three different polarization vectors? Am i right? Best regards, Min Wu 2010-10-9 >From: matteo calandra <matteo.calandra at impmc.jussieu.fr> >Reply-To: PWSCF Forum <pw_forum at pwscf.org> >To: pw_forum at pwscf.org >Subject: Re: [Pw_forum] Xspectra calculation >Date: Sat, 9 Oct 2010 11:30:54 +0200 > >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" >> Subject: [Pw_forum] Xspectra calculation >> To: pw_forum at pwscf.org >> Message-ID: >> Content-Type: text/plain; charset="gb2312" >> >> 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 >> -------------- next part -------------- >> An HTML attachment was scrubbed... >> URL: >> http://www.democritos.it/pipermail/pw_forum/attachments/20101009/5fd9f157/attachment.html >> >> ------------------------------ >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> >> >> End of Pw_forum Digest, Vol 40, Issue 16 >> **************************************** >> > > > >---------------------------------------------------------------- >This message was sent using IMP, the Internet Messaging Program. > > >_______________________________________________ >Pw_forum mailing list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum >
