How use CRYSTALpytools?
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(base) noctua-v2@noctua-v2-X9DR3-F:~/Desktop/RSF/band$ ls BAND.DAT 'BAND STRUCTURE.jpeg' fort.25 fort.87 fort.9 INPUT OUTPUTCan I use BAND.DAT as *.BAND and OUTPUT as *.out files in code?
from CRYSTALpytools.electronics import ElectronBand from pymatgen.electronic_structure.plotter import BSPlotter band = ElectronBand.from_file('*.DAT', 'OUTPUT') pmgband = mgoband.to_pmg(labels=[r'$\Gamma$', 'W', 'X', 'L', r'$\Gamma$']) bsplot = BSPlotter(pmgband) bsplot.get_plot(ylim=(-10, 10), zero_to_efermi=True)