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Jul 31, 2020 - Gnuplot
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quantum-espresso-tutorial
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This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York, 372 Pages (2022) by N. T. Hung, A. R. T. Nugraha and R. Saito.
density-functional-theory solid-state-physics quantum-espresso wannier90 first-principles-calculations quantum-espresso-tutorial
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Oct 25, 2024 - Roff
Scripts and inputs for calculating the band structure and pDOS in Quantum Espresso, and plotting the results together.
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Dec 27, 2024 - Gnuplot
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.
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Jan 20, 2025 - Python
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