.. include:: /substitutions.rst

.. _theobeams:

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 :ref:`EXPBEAMS.csv<EXPBEAMS>`

The corresponding output file from the superpos calculation is named
:ref:`FITBEAMS.csv<FITBEAMS>`

Theoretical beams as contained in THEOBEAMS.csv are plotted in the
THEOBEAMS.pdf file. Note that this differs from theoretical beams
in the :ref:`Rfactor_plots.pdf<Rfactorplots>`  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 |IV| plots in THEOBEAMS.pdf can be modified with
the :ref:`PLOT_IV`  parameter.

.. _complex_amplitudes_csv:

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 :ref:`reference calculation<ref-calc>`
vs. energy.

**Format:** Like :ref:`EXPBEAMS.csv<EXPBEAMS>`