Exemplo n.º 1
0
    def __init__(self,
                 interaction,
                 point_operations=None,
                 ir_grid_points=None,
                 rotated_grid_points=None,
                 temperature=None,
                 sigma=None,
                 is_reducible_collision_matrix=False,
                 lang='C'):
        self._pp = None
        self._sigma = None
        self._frequency_points = None
        self._temperature = None
        self._grid_point = None
        self._lang = None
        self._imag_self_energy = None
        self._collision_matrix = None
        self._pp_strength = None
        self._frequencies = None
        self._triplets_at_q = None
        self._triplets_map_at_q = None
        self._weights_at_q = None
        self._band_indices = None
        self._unit_conversion = None
        self._cutoff_frequency = None
        self._g = None
        self._mesh = None
        self._is_collision_matrix = None
        self._unit_conversion = None

        ImagSelfEnergy.__init__(self,
                                interaction,
                                temperature=temperature,
                                sigma=sigma,
                                lang=lang)

        self._is_reducible_collision_matrix = is_reducible_collision_matrix
        self._is_collision_matrix = True

        if not self._is_reducible_collision_matrix:
            self._ir_grid_points = ir_grid_points
            self._rot_grid_points = rotated_grid_points
            self._point_operations = point_operations
            self._primitive = self._pp.get_primitive()
            rec_lat = np.linalg.inv(self._primitive.get_cell())
            self._rotations_cartesian = np.array([
                similarity_transformation(rec_lat, r)
                for r in self._point_operations
            ],
                                                 dtype='double',
                                                 order='C')
Exemplo n.º 2
0
    def __init__(self,
                 interaction,
                 point_operations=None,
                 ir_grid_points=None,
                 rotated_grid_points=None,
                 temperature=None,
                 sigma=None,
                 is_reducible_collision_matrix=False,
                 lang='C'):
        self._pp = None
        self._sigma = None
        self._frequency_points = None
        self._temperature = None
        self._grid_point = None
        self._lang = None
        self._imag_self_energy = None
        self._collision_matrix = None
        self._pp_strength = None
        self._frequencies = None
        self._triplets_at_q = None
        self._triplets_map_at_q = None
        self._weights_at_q = None
        self._band_indices = None
        self._unit_conversion = None
        self._cutoff_frequency = None
        self._g = None
        self._mesh = None
        self._is_collision_matrix = None
        self._unit_conversion = None
        
        ImagSelfEnergy.__init__(self,
                                interaction,
                                temperature=temperature,
                                sigma=sigma,
                                lang=lang)

        self._is_reducible_collision_matrix = is_reducible_collision_matrix
        self._is_collision_matrix = True

        if not self._is_reducible_collision_matrix:
            self._ir_grid_points = ir_grid_points
            self._rot_grid_points = rotated_grid_points
            self._point_operations = point_operations
            self._primitive = self._pp.get_primitive()
            rec_lat = np.linalg.inv(self._primitive.get_cell())
            self._rotations_cartesian = np.array(
                [similarity_transformation(rec_lat, r)
                 for r in self._point_operations], dtype='double', order='C')