Yambo Community Forum

Hi, all:
I tried to run BSE for graphyne. I got warning message: Fractional occupationa still unsupported (Haydock).
My yambo is version 3.2.4 Revision 855. From yambo webside I know 3.2.5 can treat fractional occupation problem.
It says eval_minus_G.F. in order to do BSE calculation with fractional occupations .... Is eval_minus_G.F the parameter?
I search the doc and cannot find the explanation or example to show user how to do the fractional occupation calculation.

Regards

Zhifan Chen
Clark Atlanta University
USA

Tricky point. Try using the diagonalization as I never coded the fractional occupations into Haydock (I am not even sure it is possible).

eval_minus_G.F is a routine. Not a variable. And it is not related to the fractional occupations problem.

Alternatively you can tru to use k-grids where graphene is semiconductive. I am not 100% sure but optical properties should not be affected too much.

Andrea