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Band-pDOS-QE
Band-pDOS-QE PublicScripts and inputs for calculating the band structure and pDOS in Quantum Espresso, and plotting the results together.
Gnuplot 1
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TaON_100_Water
TaON_100_Water PublicInput files and the coordinate file (in XYZ format) for simulating the β-TaON (100)/Water interface, as studied in the paper "Molecular Insights into the Water Dissociation and Proton Dynamics at t…
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