[QE-users] Sum rule violation - turbo_eels

[Anibal Bezerra]

Dear QE users and developers,

I'm using turbo_eels + turbo_spectrum to get the dielectric function of
gold and aluminum alloys. The calculations finish with no major problems,
however, the output file showed a violation of around 17% of the sum rule.
I've increased the k points sampling with no appreciable changes to the sum
rule. I've changed the method between TDDFT and IPA, with no significant
changes to the rule.

Is it a problem with the pseudopotential (I've tried NC and USPP from SSSP
Material Cloud)?

I'm using a small q vector (~0,001) to get the minimum perturbation to the
system, could it be the problem?

Thanks in advance

Anibal Bezerra
The Federal University of Alfenas
Alfenas - MG
Brazil
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