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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140425/06042770/attachment.html
