evGW

[sdwang]

Dear developer,
I am just wondering how the evGW results depend on the KS starting point in Yambo code. If the DFT starting point with local or semi-local exchange-correlation functionals gives a very tiny gap or even a semi-metal character, can the evGW overcome these results?

Thanks!

Best

Shudong

[Daniele Varsano]

Dear Shudong,

sorry, but I do not understand what you mean.

Daniele

[sdwang]

Dear developer,
I am just wondering how the evGW results depend on the KS starting point in Yambo code. If the DFT starting point with local or semi-local exchange-correlation functionals gives a very tiny gap or even a semi-metal character, can the evGW overcome these results?

Thanks!

Best

Shudong

[Daniele Varsano]

Dear Shudong,

to my experience, the evGW mitigate the problem, but it does not solve it completely.
About the opening of the gap, evGW should do the job, but it is something you should check carefully (in some case the self-consistency of the wave function could play an important role).

Best,
Daniele