[DFTB-Plus-User] Electron density cube files

MD Simulation mdsimulationgroup at gmail.com
Tue Oct 3 17:56:53 CEST 2023


Hello,

Is it possible to get electron density as a cube file during an
ElectronDynamics calculation?

NWChem is capable of doing this:
https://nwchemgit.github.io/RT-TDDFT.html#visualization-sub-block-for-controlling-3d-visualization

Thanks for the help,
Frank
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