Dear Atefe Marasi,
Infinite epsilon means that you extrapolate the epsilon value for the
zero of energy.
You must plot the real part of the dielectric function to properly
estimate this value.
You must be careful because if you have a band gap and a bad description
of the gap value ... the estimation will be not good at all.
Regards
Xavier
On 29/11/2021 11:38, Atefe Marasi wrote:
Hello dear WIEN2k users,
I am interested in finding the exact value of infinite epsilon, i.e.,
dielectric constant at high frequency. As you know, as frequency goes
to infinity, the value of epsilon asymptotically approaches to unity.
But data reported in literatures for the infinite epsilon are not
equal to one! How can I choose a correct energy range or frequency to
obtain the appropriate infinite epsilon?
Is there any way to find the infinite epsilon by WIEN2k?
Thank you,
Best Regards,
Atefe Marasi
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST
at:http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
