Dear Vivek, I think you can calculate the low frequency dielectric tensor using the PHONON output and a formula. Please, see PHYSICAL REVIEW B 76, 245110 (2007), eq. (1).
Maybe PHONON can calculate directly, but I don not find how. Best regards Eduardo -- Eduardo Menendez Departamento de Fisica Facultad de Ciencias Universidad de Chile Phone: (56)(2)9787439 URL: http://fisica.ciencias.uchile.cl/~emenendez > > ---------- Mensaje reenviado ---------- > From: "Vivek Ranjan" <vranjan at ncsu.edu> > To: pw_forum at pwscf.org > Date: Mon, 23 Feb 2009 10:05:03 -0500 (EST) > Subject: [Pw_forum] [Fwd: dielectric tensor] > > > ---------------------------- Original Message ---------------------------- > Subject: dielectric tensor > From: "Vivek Ranjan" <vranjan at ncsu.edu> > Date: Fri, February 20, 2009 4:54 pm > To: pw_forum at pwscf.org > -------------------------------------------------------------------------- > > Hello, > > I was wondering if PWSCF can calculate low frequency dielectric > permittivity tensor. I would like to calculate dielectric constant in KHz > frequency range. > > Thank you, > > Vivek Ranjan > NCSU > > > __________________________________________________________________________ > web : http://www.geocities.com/vivekranjanweb > __________________________________________________________________________ > Vivek Ranjan Email : vranjan at chips.ncsu.edu > Center for High Performance Simulation : vranjan at ncsu.edu > Department of Physics > NC State University Phone : +1-919-513-0613 (Office) > Campus Box 7518 Fax : +1-919-513-4804 > Raleigh, NC 27695 > -------------------------------------------------------------------------- > > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090224/66374822/attachment.htm