script to calculate A(\omega +\delta)
Posted: Tue May 19, 2015 11:51 am
I want to calculate the G0W0 spectral function with shift \omega ($\delta=E^{GW}-E_{LDA}$). In the G0W0 out put _EIG file, I already have the unshift spectral function A(\omega) , imaginary and real parts of the self-energy. Now what I would like to calculate is
A(\omega)= \Im \Sigma (\omega-\delta) \ ((\omega-E_{LDA}+V_{xc}^{LDA} - \Re \Sigma(\omega-\delta) )^2 +(\Im \Sigma(\omega-\delta))^2)
the above equation is only for one band and one k point. In principle, I will have all the index of nk
Does anybody have the script to do this job?
Thank you very much!
All the best
Sky
A(\omega)= \Im \Sigma (\omega-\delta) \ ((\omega-E_{LDA}+V_{xc}^{LDA} - \Re \Sigma(\omega-\delta) )^2 +(\Im \Sigma(\omega-\delta))^2)
the above equation is only for one band and one k point. In principle, I will have all the index of nk
Does anybody have the script to do this job?
Thank you very much!
All the best
Sky