kpath

pyprocar.scripts.kpath(infile=None, outfile='KPOINTS', grid_size=40, with_time_reversal=True, recipe='hpkot', threshold=1e-07, symprec=1e-05, angle_tolerence=-1.0, supercell_matrix=array([[1., 0., 0.], [0., 1., 0.], [0., 0., 1.]]))

This module creates a KPOINTS file for band structure plotting.

Parameters:

• infile (str, optional) –

• outfile (str, optional) –

• grid_size (int, optional) –

• with_time_reversal (bool, optional) –

• recepie (str, optional) –

• threshold (float, optional) –

• symprec (float, optional) –

• angle_tolerence (float, optional) –

• supercell_matrix (list, int) –