2.5.1. prismatique.load.S_matrix_k_xy_vectors

S_matrix_k_xy_vectors(filename, skip_validation_and_conversion=False)

From a given output file generated by a STEM simulation using the PRISM algorithm, load the \(\mathbf{k}_{xy}\)-momentum vectors of the plane waves used to calculate the \(S\)-matrices of said STEM simulation.

See the documentation for the subpackage prismatique.stem for a discussion on \(S\)-matrices, \(S_{m_{x},m_{y}}\left(x,y\right)\), and the PRISM algorithm. As discussed therein, each pair \(\left(m_x, m_y\right)\) corresponds to a different \(\mathbf{k}_{xy}\)-momentum vector. In prismatic, each pair \(\left(m_x, m_y\right)\) is essentially mapped to a unique integer \(i\).

Parameters:

filenamestr

The relative or absolute path to the file specifying the \(\mathbf{k}_{xy}\)-momentum vectors. Any non-temporary file generated by the function prismatique.stem.sim.run() using the PRISM algorithm, with originally the basename "stem_sim_params.json" is valid.

skip_validation_and_conversionbool, optional

If skip_validation_and_conversion is set to False, then validations and conversions are performed on the above parameters.

Otherwise, if skip_validation_and_conversion is set to True, no validations and conversions are performed on the above parameters. This option is desired primarily when the user wants to avoid potentially expensive validation and/or conversion operations.

Returns:

k_xy_vectorsarray_like (float, shape=(num_vectors, 2))

If we let num_vectors be the number of \(\mathbf{k}_{xy}\)-momentum vectors, then k_xy_vectors[i][0] and k_xy_vectors[i][1] are the \(x\)- and \(y\)-components of the i th \(\mathbf{k}_{xy}\)-momentum vector in units of 1/Å, where 0<=i<num_vectors.