[DFTB-Plus-User] ElectronDynamics Cube Files
MD Simulation
mdsimulationgroup at gmail.com
Wed Sep 27 20:40:10 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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