EspressoIn Tools

EspressoIn Tools is a Python-based web application built using Streamlit, designed to visualise band structures of materials. The application allows users to upload band structure data in a format compatible with the Quantum ESPRESSO output file (.dat.gnu), calculate the band gap, and customise the plot appearance.

Features

• Load Band Structure Data: Upload your band structure data in .dat or .gnu format.
• Band Gap Calculation: Calculate the band gap, which is the energy difference between the highest occupied energy level (valence band) and the lowest unoccupied energy level (conduction band).
• High-Symmetry Point Markers: Specify high-symmetry points on the band structure plot and label them with custom or predefined symbols (e.g., Γ, M, R, X, K, etc.).
• Customisation Options: Customise plot appearance, including choosing plot colours, line thickness, marker size, etc.
• Download Band Structure Plot: Download the generated band structure plot as an image in different formats (jpg, png, tiff, svg) with adjustable DPI (dots per inch).
• Multilingual Support: EspressoIn Tools supports multiple languages, including English, German, and Bahasa Indonesia, using JSON files for text localisation.

Change Log

Version 1.0.0 (2023-08-05)

• Initial release of EspressoIn Tools.
• Load band structure data in .dat or .gnu format.
• Calculate and display the band gap in the plot.
• Customise plot appearance with colour, line thickness, and marker size.
• Support for specifying high-symmetry points and labelling them on the plot.
• Download the generated band structure plot in different formats (jpg, png, tiff, svg).
• Multilingual support: English, German, Bahasa Indonesia.

Version

Current Version: 1.0.0