<br>Dear QE USERS,<br><br>The QE code takes note of the presence of Z* and epsilon in the
dynamical matrix file <br>and will add to the dynamical matrix the
non-analytic part corresponding to the <br>given <b>q</b>=>0. The 3-fold
degenerate optical modes are now split by the LO-TO splitting.<br><br>Here, I would like to know, whether during POST-PROCESSING, is it possible to manually add the <br>values of the Born-effective charge and dielectric constant (which has been taken from the Experiments <br>
and not the computed ones) in the
"dynamical matrix file" so that after POST-PROCESSING one can get <br>a phonon dispersion curve taking into account the experimental values of the Z* and Dielectric constant ? <br>If yes, then in which file and where, one should add the Z* and Dielectric constant manually ?<br>
<br>Looking forward to your kind reply.<br><br>Thanking you and with my best regards,<br><br>Srijan Kumar <br>R&D Assistant <br>JNCASR<br>Bangalore 560064 <br>