BSE double grid with W90-interpolated energies

[jannisk93]

Dear developers,

yambo 4 had the option "ypp -b" for reading Wannier90-generated .bxsf files. This could be used to obtain eigenvalues on a fine k-grid in order to construct a better L_0 for the BSE (double grid technique). Has this functionality been removed in yambo 5? I am unable to find it.

Best regards

[claudio]

Dear Jannis

I don't know if this feature is still present, but in reality you do not need it.
Just put additional k-points in a nscf calculation and read them without passing for the Wannier functions,
as explained here:

http://www.attaccalite.com/speed-up-die ... ith-yambo/

se also this discussion

viewtopic.php?t=1504

best
Claudio

[jannisk93]

Dear Claudio,

thanks for the quick reply. Unfortunately, calculating all eigenvalues with DFT is not an option, since I am using a hybrid functional. I can run a calculation with 2x2x2 kpoints, but 10x10x10 or so would be far too much. I suppose I'll use yambo 4 then, or write a script that does what "ypp -b" did previously.

Best

[claudio]

Ok in this case I will check what happened to that options and make you know

best
Claudio