Yambo Community Forum

Dear Developers,
I've calculated the dielectric spectrum using GW+RPA.
But how can I find the related transitions
(e.g. the main contribution for this peak is from which band to another one)
for each peak in the spectrum ?
Thank you in advance

Dear Samaneh,
if you did the calculation in reciprocal space, there is not access to this information.
Contrary if you did the RPA+GW calculation in transition space (e.g. as BSE including only the exchange in the kernel), you need to
1) diagonalize your matrix BSSMod="d" adding in your input the variable WRbsWF.
Once you have diagonalized you matrix you can inspect the sorted eigenvalues by using ypp:
2) Individuate in the output the index of the excitations you want to look at the contribution.
3) will generate an input file where you specify the excitation index.
4) will give you the main peak contribution.


Best,
Daniele