Yambo Community Forum

Dear sir,

After doing BS calculation, I have run ypp -e s to get the sorted data for exciton energy where I get width for different energies.
Can you please tell me what this width signify? Is it the linewidth of exciton ie. FWHM of the peak in the absorption spectra?
If so then why I am getting different values for both of them ie.. width in the energy_sorted file and the FWHM of the first peak in the absorption spectra?

Regards,
Himani Mishra
Research Scholar
IIIT Allahabad

Dear Himani,
the widths reported in the sorted file it is there because you have the imaginary part of your excitations different from zero (are you using the coupling mode for the BSE?).
This is not the FWHM of your spectrum: the latter is set by input via the variable.

Best,

Daniele

Yes sir, I am using coupling mode for BS calculation.
I need the excitonic width given in the Fig. 3 of the following link:
http://www.nature.com/articles/ncomms13279
Can you please tell me how to get it?

Regards,
Himani Mishra
Research Scholar
IIIT Allahabad

Dear HImani,
the linewidth of the absorption spectrum in a standard calculation by yambo it is not calculate but empirically set using the variable I wrote you in the last message. In the devel version of yambo it is possible to include temperature effects by first principle as describe in this paper , but that part of the code it is not yet released with gpl license.

Best,
Daniele