the imaginary part of Green function along chosen k-path

[Weiqing Zhou]

Hi all,

I want to perform a full frequency GW calculation along a chosen k-path. I understand that GW band structure along chosen path can be interpolated by ypp -s b.
Now I want to obtain the imaginary part of Green function instead of band energy. Information about the imaginary part of Green function can be found in output from real-axis calculation. But now I can only obtain the green function with k point in previous pwscf run.
BZ kpoint grid generator (ypp -k k) can generate k-point not included in the previous grid while calculation containing many new k-points seem to be too expensive in this way.
Is it possible to perform this calculation more efficiently? Any suggestion？

Best,
Weiqing

[Daniele Varsano]

Dear Wieking,
the suggestion it cames me in mind is to caluclate in a regular grid and use an interpolator to obtain the information you want on a path.

Best,
Daniele