wulfric.Cell.from_params#

wulfric.Cell.from_params(a=1.0, b=1.0, c=1.0, alpha=90.0, beta=90.0, gamma=90.0)#

Construct cell from lattice parameters.

Lattice vector \(\boldsymbol{a_1}\) has the length a and oriented along \({\cal x}\) axis.
Lattice vector \(\boldsymbol{a_2}\) has the length b and is placed in \({\cal xy}\) plane and form an angle gamma with vector \(\boldsymbol{a_1}\), positive in a mathematical sense.
Lattice vector \(\boldsymbol{a_3}\) has the length c and form an angle alpha with the vector \(\boldsymbol{a_2}\) and an angle beta with the vector \(\boldsymbol{a_1}\).

Parameters:

afloat, default 1: Length of the \(\boldsymbol{a_1}\) vector.
bfloat, default 1: Length of the \(\boldsymbol{a_2}\) vector.
cfloat, default 1: Length of the \(\boldsymbol{a_3}\) vector.
alphafloat, default 90: Angle between vectors \(\boldsymbol{a_2}\) and \(\boldsymbol{a_3}\). In degrees.
betafloat, default 90: Angle between vectors \(\boldsymbol{a_1}\) and \(\boldsymbol{a_3}\). In degrees.
gammafloat, default 90: Angle between vectors \(\boldsymbol{a_1}\) and \(\boldsymbol{a_2}\). In degrees.

Returns:

Cell matrix.

cell = [[a1_x, a1_y, a1_z],
        [a2_x, a2_y, a2_z],
        [a3_x, a3_y, a3_z]]

Raises: