Yambo Community Forum

Dear All,


What could possible be the reason when the stretching on the conduction bands is not linear? What can be done to make this more linear? I added more unoccupied states, but still it is not linear.

Thanks

Jonah Nagura
University of Ibadan,
Nigeria.

Dear Jonah,
it could be for many reasons, e.g. different character and localization of Bloch functions for different k points. In general, it can be a physical origin and not a matter of convergence. Anyway, I cannot say more as I do not know the details of the system you are studying. In this case, scissor+streching procedure could not be accurate and it is needed to calculate the GW correction for all the bands of interest.

Best,
Daniele