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LobsterPyGUI is a graphical user interface designed to facilitate the use of LobsterPy, a Python package developed to handle and plot outputs from the LOBSTER software. Here are the key details:

Overview

LobsterPyGUI is aimed at users who are not familiar with command-line interfaces and provides an accessible way to manage LOBSTER input and output. The GUI helps users get started with LobsterPy by offering a simplified interface that runs on Linux/GNU systems [❞] [❞].

Features

Graphical Interface: The GUI provides basic functionalities such as plotting density of states (DOS) and other outputs from LOBSTER without needing to use command-line instructions.
User-Friendly: Designed to help beginners get accustomed to Linux and CLI, the interface ensures that standard outputs and errors from commands are displayed within the GUI.
Installation: Users can download the lobsterpygui binary and copy it to their $HOME/bin folder. The GUI is then run from the terminal within the directory of the LOBSTER calculations [❞] [❞] [❞].

Installation and Usage

Download the Binary: Download the lobsterpygui binary from the GitHub repository.
Copy to Bin Folder: Copy the binary to your $HOME/bin directory and ensure this directory is included in your $PATH environment variable.
```
cp $HOME/Downloads/lobsterpygui $HOME/bin
```
Run the GUI: Navigate to the folder containing your LOBSTER calculations and execute the GUI from the terminal.
```
cd /path/to/your/lobster/calc
lobsterpygui
```
Functionality: When the GUI is opened, you can click on options like Plot LOBSTER DOS, which will internally execute commands such as lobsterpy plot-dos, displaying the results within the GUI [❞] [❞].

Developer and Background

The GUI is developed by Christina Ertural, a researcher in theoretical and solid-state chemistry. She has contributed significantly to the development of scientific software, including LOBSTER and LobsterPy, which are tools used in quantum and computational chemistry [❞].

Further Information

For more details and to download the latest version, visit the LobsterPyGUI GitHub repository. The repository includes the source code, installation instructions, and a comprehensive README file that explains how to use the software.

By providing this user-friendly interface, LobsterPyGUI aims to make it easier for researchers and students to engage with powerful computational chemistry tools without needing extensive command-line experience.