Transition charges - Githubissues

felixplasser / theodore-qc

TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis

https://theodore-qc.sourceforge.io/

GNU General Public License v3.0

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Closed felixplasser closed 1 year ago

felixplasser commented 1 year ago

Include transition charges along with e/h charges.

felixplasser commented 1 year ago

add dEST estimate via Ohno formula