[Pw_forum] Phonon Dispersion with LO-TO splitting

[Srijan Kumar Saha]

Dear QE USERS,

The QE code takes note of the presence of Z* and epsilon in the dynamical
matrix file
and will add to the  dynamical matrix the non-analytic part corresponding to
the
given *q*=>0. The 3-fold degenerate optical modes are now split by the LO-TO
splitting.

Here, I would like to know, whether during POST-PROCESSING, is it possible
to manually add the
values of the Born-effective charge and dielectric constant (which has been
taken from the Experiments
and not the computed ones) in the  "dynamical matrix file" so that after
POST-PROCESSING one can get
a phonon dispersion curve taking into account the experimental values of the
Z* and  Dielectric constant ?
If yes, then in which file and where, one should add the Z* and Dielectric
constant manually ?

Looking forward to your kind reply.

Thanking you and with my best regards,

Srijan Kumar
R&D Assistant
JNCASR
Bangalore 560064
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