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 <lfhuang at theory.issp.ac.cn> wrote: > From: lfhuang <lfhuang at theory.issp.ac.cn> > Subject: [Pw_forum] coordination system for polarizations in matdyn.modes > To: "pw_forum" <pw_forum at pwscf.org> > 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) > ====================================================================== > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
