Hi Can u provide your SCF input file?
Bests sanjeev On Fri, Apr 25, 2014 at 7:04 AM, Kondaiah Samudrala <konda.physics at gmail.com > wrote: > Dear all, > > Can anyone perform Phonon dispersions with LO-TO splitting for body > centerd tetragonal structure with Quantum espresso??. > > I am sure and did LO-TO spllitting calculations at q=0. But, I am really > worried about implementation of LO-TO splitting in Quantum espresso at q!=0 > cases in semiconductors and insulators!!!! Whether it is working for all q > points or not???? > > with regards > S. Applakondaiah > University of Hyderabad > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- With Best Regards, ------------------------------------ Dr. Sanjeev Kumar Gupta Fulbright Post-Doctoral Scholar Dept. of Physics Michigan Technological University 1400 Townsend Drive, Houghton MI 49931, USA ------------------------------------ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140425/0ecac7fe/attachment.html
