[QE-users] refractive index using epsilon

[mehrdad zamzamian]

Hi all Quantum Espresso users
I had a problem checking the optical properties of sodium iodide. When I
use a primitive cell (8 atoms) to calculate the refractive index, the
result is very close to the reference result, but when I use Supercell (64
atoms), not only does the result not get better but there is a drastic
reduction in the refractive index. I would be grateful if someone could
justify the reason for this and make a suggestion to resolve it.

Bests
--
*Seyed Mehrdad Zamzamian, PhD.*
Shahid Beheshti University
Tehran, Iran
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