Dear Dr. Sanjeev ,
Here with I am attaching my i/p. I don't know the necessity of scf i/p for
LO-TO calculations at q!=0 cases. If possible, please explain me...
Can Any one Pls suggest me or Answer me regarding q!=0 LO-TO splitting in
Quantum espresso.
with regards
S. Applakondaiah
Hi
Can u provide your SCF input file?
Bests
sanjeev
On Fri, Apr 25, 2014 at 7:04 AM, Kondaiah Samudrala 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
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
