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 _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
