Linewidth Calculations

[rishabhsrsw7]

Hi everyone,

I have been trying to calculate the linewidth for AB monolayer. I have included 12 excitonic states in SLEPC. When I run the file for calculating the linewidth I include all the 12 excitonic states in \lambda sum and \beta sum. Doing this, the linewidth I get for the first exciton (dark, with a degenerate partner) is about 3 eV. Also, I am unable to get the linewidth to converge for the \beta sum. The linewidth is just rising constantly. Attaching the output here:

# Band E [eV] Life^-1 [meV] Width [meV]
#
1 3.278192 247.8336 2893.48
2 3.278298 247.8336 2893.48
3 3.279119 247.8336 2893.48
4 3.279280 363.7760 4009.39
5 3.280189 363.7760 4009.39
6 3.280275 363.7760 4009.39
7 3.367456 56.29752 656.2242
8 3.367497 56.29752 656.2242
9 3.367579 56.29752 656.2242
10 3.391387 31.13515 366.2377
11 3.391564 31.13515 366.2377
12 3.465672 5.187297 65.60325

I am unable to understand the why of this. Is it because the excitonic states are a lot?

[palful]

Dear Rishabh,

You are using a branch of the code that is formally still under development and not yet officially released. At this time, we are not able to offer support on this part. The "official" release in a main release of Yambo is foreseen by the end of this year though.

Best,
Fulvio