Dear prof. Isaev: Thank you for your help and correction! Yes I had mixed "polarization" and "epsilon" due to not taking the designation "polarization" seriously before. Thank you very much! Best Wishes!
Yours Sincerely L.F.Huang > Date: Tue, 10 Feb 2009 04:13:44 -0800 (PST) > From: Eyvaz Isaev > Subject: Re: [Pw_forum] coordination system for polarizations in > matdyn.modes > To: PWSCF Forum > Message-ID: > Content-Type: text/plain; charset=utf-8 > > Dear Huang, > > > the polarizations (epsilon) of vibrating atoms is in the output file > > This looks somewhat strange. I mean mixed "polarization and epsilon". > > > Is it Cartesian coordination(I guess so)? > > If you mean displacements in matdyn.modes, it is, you are right. > > Bests, > Eyvaz. > > ------------------------------------------------------------------- > Prof. Eyvaz Isaev, > Theoretical Physics Department, Moscow State Institute of Steel & Alloys, > Russia, > Department of Physics, Chemistry, and Biology (IFM), Linkoping University, > Sweden > Condensed Matter Theory Group, Uppsala University, Sweden > Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com > > > --- On Tue, 2/10/09, lfhuang wrote: > > > From: lfhuang > > Subject: [Pw_forum] coordination system for polarizations in matdyn.modes > > To: "pw_forum" > > Date: Tuesday, February 10, 2009, 8:43 AM > > Hello everyone: > > Could anyone tell me what the coordination system for > > the polarizations (epsilon) of vibrating atoms is in the > > output > > file matdyn.modes of matdyn.x? Is it Cartesian > > coordination(I guess so)? or lattice coordination? > > > > I'd like to appreciate any help! > > > > Best Wishes! > > > > Yours Sincerely > > L.F.Huang > > ------ > > ------ ====================================================================== L.F.Huang(???) lfhuang at theory.issp.ac.cn ====================================================================== Add: Research Laboratory for Computational Materials Sciences, Instutue of Solid State Physics,the Chinese Academy of Sciences, P.O.Box 1129, Hefei 230031, P.R.China Tel: 86-551-5591464-328(office) Fax: 86-551-5591434 Web: http://theory.issp.ac.cn (website of our theory group) http://www.issp.ac.cn (website of our institute) ====================================================================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090211/e590bcb0/attachment.htm