DFTB+ based calculation of timedependent charge transport in zigzag nanoribbon using the Zandpack...

In this short demonstration we take a look at using dftb+ to model the density-dependence of the Hamiltonian in a zigzag nanoribbon with a nitrogen defect. This is then used in a time-dependent Zandpack calculation to obtain the current trough the nanoribbon. This video demonstrates the workflow and explains parts of the code. For more information go to the github repo https://github.com/AleksBL/Zandpack. This repo contains more tutorials and examples. Keep in mind the calculation is crude.