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: [email protected] _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
