Band gap calculation

The bandgap of a calculation can be found by:

pyprocar.bandgap(procar="PROCAR", outcar="OUTCAR", code="vasp")

For Abinit calculations set outcar to be the output file. For other DFT codes, setting only code is sufficient when run from the calculation directory.

NOTE: The bandgap calculation should be done for non-self consistent (band structure) calculations.