Describe Current Status and Possible Solution
Hi everyone,
Could you please provide an official tutorial or example workflow demonstrating how to use 'TBoptc' in combination with the DeePTB interface?
I am trying to replicate the methodology outlined in your paper "Deep neural network for phonon-assisted optical spectra of semiconductors at finite temperatures". Having a clear guide on how to pipe the predicted Hamiltonians into the optical property calculators to perform the Williams-Lax ensemble averaging would be incredibly helpful for the community.
Thank you for your excellent work!
Additional Context
No response
Describe Current Status and Possible Solution
Hi everyone,
Could you please provide an official tutorial or example workflow demonstrating how to use 'TBoptc' in combination with the
DeePTBinterface?I am trying to replicate the methodology outlined in your paper "Deep neural network for phonon-assisted optical spectra of semiconductors at finite temperatures". Having a clear guide on how to pipe the predicted Hamiltonians into the optical property calculators to perform the Williams-Lax ensemble averaging would be incredibly helpful for the community.
Thank you for your excellent work!
Additional Context
No response