Source code for pyprocar.scriptKmesh2D

import numpy as np
from .splash import welcome


[docs]def generate2dkmesh(x1, y1, x2, y2, z, nkx, nky): """ This module generates a KPOINTS mesh file for 2D plotting. """ welcome() kx = np.linspace(x1, x2, nkx) ky = np.linspace(y1, y2, nky) wf = open("Kgrid.dat", "w") wf.write("Generated by PyProcar\n") wf.write("%d\n" % (nkx * nky)) wf.write("Reciprocal\n") for ikx in kx: for iky in ky: wf.write( " {: >12.7f} {: >12.7f} {: >12.7f} {: >12.7f}\n".format( ikx, iky, z, 1.0 ) ) wf.close()