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Example calculation of ZGNR using tight-binding and hubbard U (Zandpack calculation)
A tutorial on how to do a time-dependent calculation with a Hubbard U on a zgnr nanoribbon with a section cut out. You can find this tutorial in the Zandpack/examples/Hubbard folder. Please note there were some technical problems with the video recording, so please excuse this. You can with advantage run the same steps along side the video if you want to. For more information go to the github repo https://github.com/AleksBL/Zandpack. This repo contains more tutorials and examples.
Basic program structure
python 1Hamiltonian.py
python 2Load.py
python 3Fit.py
Copy the TDHub or whatever name it has into the
Calculation folder
SCF Dir=$PWD file=TDHub
psinought Dir=$PWD file=TDHub
mpirun -np 3 zand Dir=$PWD
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By GNU/Linux TubeA tutorial on how to do a time-dependent calculation with a Hubbard U on a zgnr nanoribbon with a section cut out. You can find this tutorial in the Zandpack/examples/Hubbard folder. Please note there were some technical problems with the video recording, so please excuse this. You can with advantage run the same steps along side the video if you want to. For more information go to the github repo https://github.com/AleksBL/Zandpack. This repo contains more tutorials and examples.
Basic program structure
python 1Hamiltonian.py
python 2Load.py
python 3Fit.py
Copy the TDHub or whatever name it has into the
Calculation folder
SCF Dir=$PWD file=TDHub
psinought Dir=$PWD file=TDHub
mpirun -np 3 zand Dir=$PWD