Dear Sanjeev, Until you describe your problem more exactly, no one can help you.
I think nobody (except you) can understand what they are these mystery 4 steps. 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 Fri, 2/13/09, Sanjeev K. Gupta <sanjeev0302 at rediffmail.com> wrote: From: Sanjeev K. Gupta <[email protected]> Subject: [Pw_forum] STEP-4 [Phonon] To: pw_forum at pwscf.org Date: Friday, February 13, 2009, 7:41 AM Dear PWSCF user, We get all phonons postive in step 4, but in step 5 some are negative.Does one really need to go for the step 5 for phonon dispersion curves. If yes then suggest the modification for step 5. Sanjeev Gupta S. K. Gupta PhD Candidate, Dept. of Physics, Bhavnagar University. Bhavnagar, 364 002., Gujarat. _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum
