IPA (RPA) dielectric function with contributions from individual spins

[lz dong]

Dear all,
Considering the spin-polarization system, I have a question that how to obtain the imaginary part of the IPA (RPA) dielectric function with contributions from individual spins? Can yambo calculate the absorption spectrum of DFT+U at the IPA or RPA level？ The yambo version is 5.2.

Thanks so much for any kind suggestions~

[Daniele Varsano]

Dear lz Dong,

unfortunately, it is not possible to have spectra from individual spin easily and some hacking in the code would be needed.
About the spectra (IP and RPA) at DFT+U level, it is possible: for better accuracy you should use the covariant algorithm to evaluate dipoles otherwise the non-local
commutator for the dipoles coming from the U will be neglected. This is activated setting in input the variable:

Code: Select all

DipApproach="Covariant" 

Best,
Daniele