THEOBEAMS

The THEOBEAMS.csv file (stored in OUT) contains the theoretical beams (beam intensities vs. energy, without normalization) generated by the reference calculation. A second THEOBEAMS_norm.csv file contains the same data, normalized to have the same maximum for every beam.

Format: Like EXPBEAMS.csv

The corresponding output file from the superpos calculation is named FITBEAMS.csv

Theoretical beams as contained in THEOBEAMS.csv are plotted in the THEOBEAMS.pdf file. Note that this differs from theoretical beams in the Rfactor_plots.pdf file in that the latter use polynomial interpolation on a denser energy grid, while THEOBEAM.pdf uses only the raw data as output by the reference calculation.

The appearance of the I(V) plots in THEOBEAMS.pdf can be modified with the PLOT_IV parameter.

Complex_amplitudes_real.csv, Complex_amplitudes_imag.csv

In addition to THEOBEAMS.csv, ViPErLEED also generates two files called Complex_amplitudes_real.csv and Complex_amplitudes_imag.csv (also stored in OUT). As the name implies, these contain the complex amplitudes as calculated by TensErLEED during the reference calculation vs. energy.

Format: Like EXPBEAMS.csv