<h1 id="kmap-py">kMap.py</h1>
<p>kMap.py is a python based program for simulation and data analysis in photoemission tomography
(<a href="https://en.wikipedia.org/wiki/Photoemission_orbital_tomography"> https://en.wikipedia.org/wiki/Photoemission_orbital_tomography</a>).

<h2 id="authors">Getting started</h2>

<p>kMap.py provides an easy-to-use graphical user interface powered by PyQt5 to simulate photoemission momentum maps of molecular orbitals and to perform a one-to-one comparison between simulation and experiment. For this kMap.py provides tools like line- or region-restricted intensity scans/plots, interpolation capabilities, adjustable simulation parameters (like orientation, final state kinetic energy and polarization state of the incident light field) as well as an interface to powerful least-square fits between simulation and experiment to quickly determine optimal parameters.
kMap.py is also directly linked to a database of molecular orbitals computed with density functional theory:
<a href="https://homepage.uni-graz.at/en/peter.puschnig/research/online-databases/"> https://homepage.uni-graz.at/en/peter.puschnig/research/online-databases/ </a>


</p>

<p>For a brief introduction on how to use kMap.py watch the following tutorials:<br><a href="https://www.youtube.com/playlist?list=PLAoZOqtibC5ypO57SU4emdelPzSGQRO8c">https://www.youtube.com/playlist?list=PLAoZOqtibC5ypO57SU4emdelPzSGQRO8c</a></p>


<h2 id="authors">More information</h2>

The underlying theoretical methodology is described in the following publication:</p>
<p>Dominik Brandstetter, Xiaosheng Yang, Daniel Lüftner, F. Stefan Tautz, and Peter Puschnig, "kMap.py: A Python program for simulation and data analysis in photoemission tomography", Computer Physics Communications 263, 107905 (2021) <a href="https://doi.org/10.1016/j.cpc.2021.107905">https://doi.org/10.1016/j.cpc.2021.107905</a></p>
<p>Please cite this work when using results from kMap.py in your publications.</p>


<h2 id="authors">Authors</h2>
<ul>
<li>Peter Puschnig (peter.puschnig@uni-graz.at)</li>
<li>Dominik Brandstetter  (dominik.brandstetter@uni-graz.at)</li>
</ul>
<p>Download Code from GitHub Page: <a href="https://github.com/brands-d/kMap">https://github.com/brands-d/kMap</a></p>

<p><strong> Any feedback whatsoever, bug reports, ideas, struggles with the program or other comments are highly appreciated. Please send your thoughts to</strong></p>
<ul>
<li>dominik.brandstetter@uni-graz.at</li>
</ul>
<p>(For bug reports please use the "make report" command. For more information see README)</p>