Hi,

I have two questions regarding BSE excitation calculations:

1) When I run a BSE calculation in 7.4.1 using say 3 roots by adding the following lines to the control file after running a GW calculation:

*$bse*

$scfinstab rpas

$soes all 3

and removing the $gw section, escf seems to calculates all possible (3000+) roots instead if the 3 I ask for. Similarly, when I specify each irrep seperately:

*$bse*

$scfinstab rpas

$soes

a 3

b1 3

b2 3

b3 3

I'm pretty sure that is not the expected behavior but I have no clue what I'm doing wrong.

2) How do the excitation energies calculated using BSE depend on the choices made when running the underlying GW calculation, especially if that GW calculation was done using ri-ac-gw or ri-cd-gw?

Naively it seems to me that calculation of excitations other than HOMO -> LUMO (for ri-ac-gw) or excitations involving other QPs than those included in the contour deformation (ri-cd-gw) could/should be problematic. However, even for those excitations, the inverse of the dielectric function used to screen the exchange, depends, if I'm not mistaken, on all quasiparticle energies.

Thanks,

Martijn