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symbol. ind_ff ndarray ; dtype= int32 , shape= 3 Pointer of form factors to the number of the species (1: X-ray, 2: neutron, 3: magnetic scattering). magnetic bool Flag for setting the atom as magnetic. mom

anticentred int 0: Anti-Centric (-1' not at the origin) 1: Anti-Acentric 2: Anti-Centric (-1' at the origin) anticentre_coord ndarray ; dtype= float32 , shape=( d-1 ) Coordinates for time inversion bns_num ... symmetry centred int 0: Anti-Centric (-1 not at the origin) 1: Anti-Acentric 2: Anti-Centric (-1 at the origin) centre_coord ndarray ; ...

represents a symmetry operation. Key Value Description dt int Determinant of the submatrix mat(1:3,1:3). Must be +1 or -1 mat ndarray ; dtype= float32 , shape=( d,d ) Matrix operator time_inv int Time inversion

If non-zero, an error has occurred. r[1] : str , error message r[2]: dict , the symmetry group, a dictionary of type spg_type or spacegroup_type . examples Example 1: Set a Shubnikov group

different settings returns False . function call r = equal_group ( spg_1 : dict , spg_2 : dict ) Variable Type Description spg_1 dict Space group. It must be a dictionary of type spg_type or superspac ... code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: bool , True if both groups have exactly the same symmetry operators. ...

The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: str , the short symbol for the setting change. examples

The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: int , multiplicity of x . examples

The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: dict [ symm_op_type ], the symmetry operator. examples

The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: dict , the unit cell, a dictionary of type cell_g_type . r[3]: dict ,

The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: dict , the conventional celll, a dictionary of type twofold_axes_type