[Pw_forum] Need to know technical computational details to find optical properties of any material (Semiconductor)

Jagdish verma jagdishv.pu at gmail.com
Sun Feb 25 12:17:20 CET 2018

Dear Sir,

I want to calculate optical properties of a semiconductor. I have no past
experience of calculating optical properties. So, *I am doing some test on
silicon crystal*. But it seems as if my results are not very accurate. I
need some technical computational details about parameters (in the input
for pw.x /epsilon.x) which I need to tweak in order to converge my results
w.r.t to input parameters used in scf/epsilon input. I am using NCPPs with
converged parameters like celldm , k points and ecutwfc etc. I have found
user's manual on epsilon.x, where too much of computational details have
not been discussed. Any help will be nice for me. Thanking you in advance.

With best regards,
Jagdish Verma,
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