FITBEAMS

The FITBEAMS.csv file contains the theoretical beams (beam intensities vs. energy, without normalization) generated by the superpos calculation. A second FITBEAMS_norm.csv file contains the same data, normalized to have the same maximum for every beam.

Format: Like EXPBEAMS.csv

Note that the FITBEAMS contain errors due to the tensor-LEED approximation. A new reference calculation should be performed to obtain reliable data. The corresponding output file from the reference calculation is named THEOBEAMS.csv