script to calculate A(\omega +\delta)

GW, Bethe-Salpeter …

Moderators: maryam.azizi, bruneval

Locked
sky_zhou
Posts: 2
Joined: Tue May 19, 2015 11:39 am

script to calculate A(\omega +\delta)

Post by sky_zhou » 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

Locked