Scripts for Quantum Espresso Automation
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Updated
Jan 10, 2022 - Jupyter Notebook
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quantum-espresso-scripts
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Using Quantum Espresso and ase to compute the binding energy of adsorbates on metals
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Updated
May 6, 2022 - Python
Scripts and inputs for calculating the band structure and pDOS in Quantum Espresso, and plotting the results together.
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Updated
Dec 27, 2024 - Gnuplot
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