Automatic generation of input files with optimised k-point meshes for Quantum Espresso self-consistent field single point total energy calculations

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Bibliographic Details
Main Authors: Patyukova, Elena, Yin, Junwen, Basak, Susmita, Sanchez, Samuel Pinilla, Elena, Alin, Teobaldi, Gilberto
Format: Preprint
Published: 2025
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