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RIM : YPP -R

Posted: Sat Jan 17, 2015 12:07 pm
by luca.montana
Dear Daniele,

when using RIM to increase number of k-points to get a converged spectrum, must quasi particle corrections for the generated
k-points be calculated AGAIN in GW to include them later in a BSE run
OR can i directly use the previous quasi particle correction database for uniform k-grid and start with BSE
(without having explicitly quasi particle corrections for by rim generated k-points) ?


Best wishes
Luca

Re: RIM : YPP -R

Posted: Sat Jan 17, 2015 12:31 pm
by Daniele Varsano
Drar Luca,
I'm not really expert on that.
You need to use the inversion procedure to solve the BSE, as described here
In this paper they used a scissor operator to account for the GW corrections, and anyway if I well understood the strategy is to not calculate QP energies in the dense grid, but interpolate them by using maximally localized Wannier functions procedure.
Best,
Daniele