ThermoElectric.electron_density

ThermoElectric.electron_density(path_density: str, header_lines: int, num_dos_points: int, unitcell_volume: float, valley_point: int, energy: numpy.ndarray) → numpy.ndarray[source]

A function to read “DOSCAR” file

Parameters

  • path_density (str) – Path to DOSCAR file

  • header_lines (int) – Number of lines to skip

  • num_dos_points (int) – Number of points in DOSCAR

  • unitcell_volume (float) – The unit cell volume is in [m]

  • valley_point (int) – Where valley is located in DOSCAR

  • energy (np.ndarray) – The energy range

Returns

density – Electron density of states

Return type

np.ndarray