For an easy start with LobsterPy when you are not familiar with the Linux terminal (yet). Only suitable for Linux/GNU systems!
A GUI to handle LOBSTER input and output with LobsterPy. The purpose of this GUI is to help beginners getting familiar with Linux and the cli. That's why the functionalities are kept very simple on purpose and it's only supposed to be used on a Linux/GNU based machine.
Simply download the lobsterpygui binary, copy it to your Desktop and change the file permissions to make the binary executable:
First,
cp $HOME/Downloads/lobsterpygui $HOME/DesktopThen,
chmod u+x lobsterpygui And then you can simply run LobsterPyGUI by double-clicking the binary. With Open... you can navigate to the directory with your LOBSTER calculation where you want to use LobsterPy.
When you open lobsterpygui, navigate to your calculation run, and e.g. click on Plot LOBSTER DOS it will execute the command lobsterpy plot-dos in the background using the lobsterpy-internal plotters. It will also print the standard output (std out) and errors (std err) of any command in the GUI.
Please cite LOBSTER, LobsterPy, pymatgen, and ChemEnv properly.
You can find more information on the fundamental functionality of LOBSTER in J. Comput. Chem. 2020, 41, 1931–1940, and the methodology of the automatic analysis of LobsterPy in ChemPlusChem 2022, 87, e202200123.