Finding the energy gaps from VASP output files.
- Execute "./main.sh" directly.
- The shellscript and python script files should stay in the same director.
- Be sure the current work directory is the desired VASP calculation directory.
- OUTCAR DOSCAR EIGENVAL files are required.
- The gap data are saved into "gap.dat".
- The data include the top and bottom energy values of each gap, and the corresponding band number for those energy values.