Scripts for Quantum Espresso Automation
-
Updated
Jan 10, 2022 - Jupyter Notebook
#
quantum-espresso-scripts
Here are 4 public repositories matching this topic...
Using Quantum Espresso and ase to compute the binding energy of adsorbates on metals
-
Updated
May 6, 2022 - Python
This project provides a Python-based automated workflow for calculating the band structure and projected density of states (PDOS) of materials using Quantum ESPRESSO and ASE. Simply provide a CIF file, and the workflow will handle everything from structure optimization to post-processing and visualization.
-
Updated
Jan 20, 2025 - Python
Scripts and inputs for calculating the band structure and pDOS in Quantum Espresso, and plotting the results together.
-
Updated
Mar 30, 2025 - Gnuplot
Improve this page
Add a description, image, and links to the quantum-espresso-scripts topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the quantum-espresso-scripts topic, visit your repo's landing page and select "manage topics."