[Wannier] Calculation of complex dielectric function from Wannier90

Raj Tiwari mr.rajtiwari at gmail.com
Tue Dec 10 13:27:10 CET 2019


Dear All,

I want to calculate dielectric function using Wannier function. Can anyone
please guide me or suggest a relevant document  for the same. I tried to
search in the archive list but couldn't find a relevant one. According to
user guide, using postw90.x under berry module we can calculate optical
conductivity. since there exists a relation between imaginary part of
dielectric function (e2)  and real part of optical conductivity
[Sigma(real)= frequency*e2/4pi] , therefore, I tried to fit conductivity in
this relation however, e2  diverge as frequency tends to 0 (at 0 eV).
please guide me
many thanks in advance!

Regards,
Rajender Tiwari
Ph.D. Scholar, SCNS-JNU, New Delhi
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