[QE-users] LO-TO splitting for Phonon DOS

[Jakob Kraus]

Hi everyone,


judging from the matdyn.f90 source file, it seems possible to include 
LO-TO splitting in the calculation of the phonon DOS.

However, I have not figured out the correct way to enter the direction 
of the q vector in the matdyn input file.

Could you provide with an example of a matdyn input file that 
incorporates LO-TO splitting in the direction of, let's say, q=(1,0,0)?


Moreover, I've noticed that, even though I've set epsil = .false. for 
the phonon calculation for a metal, the ph.x code seems to calculate a 
(wrong) dielectric tensor if ldisp = .true.

Does ldisp somehow override epsil in this case?


Thank you very much in advance for your time and effort.

It is very much appreciated.


Best regards,


Jakob Kraus