[QE-users] Analysation of electronic excitations

[dv009200 at fh-muenster.de]

Dear users,

in order to research the electronic excitations I'm calculating the
optical absorption spectra with the turbo_davidson.x code. Is there any
way to obtain the information which eigenstate correspond to which
electronic transition (so from exactly which occupied electronic
state/band to exactly which unoccupied electronic state/band)?
And furthermore is a similar analysation possible with the turbo_lanczos.x
code?

Thanks for your time and help

Best regards

Dominik


Dominik Voigt M.Sc.
PhD Student
University of applied sciences Münster
Email: dv009200 at fh-muenster.de