I am studying electronic structural features of 2D materials which contain almost more than 30-40 atoms in the unit cell. I think it is more tedious writing direct python scripts like for a 2 atom unit cell material. Can anyone please suggest me to succeed in this case?
Julio Cesar Gonzalez-Torres
Hi Naga,
Have you tried p4vasp to treat the vasprun.xml output file. I think that code can help you to plot the bands.
Another option is to look into the vasptools from the UTexas they have openscripts which can serve you as a base.
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