Yambo Community Forum

Dear all,

1、I noticed that there was a previous note stating that GW could not be calculated based on HSE. May I ask if this function has been implemented now? If we use PBE0, can we calculate GW and GW-BSE?

2、Since mine is a one-dimensional system with a period of z, and the Coulomb cutoff used in the Yambo calculation is ws Z, then in the QE calculation, it should be exxdiv_treatment = 'vcut_ws', rather than vcut_spherical. Is that correct?

Best,
sunxl

Dear Sunxl,

1. GW@HSE is not implemented as there are inconsistencies in the long wavelength treatment of the screened exchange part between yambo and QE. If needed, you can use it for BSE calculation without a previous GW calculation and using a scissor operator. And Yes, you can use PBE0 both for GW and BSE.

2. Yes that's correct, you need the same cutoff potential in QE and Yambo.

Best,

Daniele