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SJM for porous materials

  1. In folder "Cylindrical_jellium", run "python cylinder.py". It creates "cylinder.gpw". Running "cylinder_map.py" and "cylinder_plot.py" creates plots of electronic densities.

  2. In folder "MOF", run "python mof.py". It creates "mof.gpw". Running "mof_view.py" creates visualisation of one of the simplest conductive MOFs.

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