[Pw_forum] Regarding Phonon dispersions

Sanjeev Gupta physics.skgupta at gmail.com
Sat Apr 26 05:05:19 CEST 2014


Can u provide your SCF input file?


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
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With Best Regards,

Dr. Sanjeev Kumar Gupta
Fulbright Post-Doctoral Scholar
Dept. of Physics
Michigan Technological University
1400 Townsend Drive, Houghton
MI 49931, USA
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