get_bs_sampling

Full name: ase2sprkkr.asr.projected_bandstructure.get_bs_sampling

ase2sprkkr.asr.projected_bandstructure.get_bs_sampling(bsp, npoints=40)[source]

Sample band structure as evenly as possible.

Allways include special points.

Parameters:
  • bsp (obj) – ase.spectrum.band_structure.BandStructurePlot object

  • npoints (int) – number of k-points to sample along band structure

Returns:

  • chosenx_x (1d np.array) – chosen band structure coordinates

  • k_x (1d np.array) – chosen k-point indices