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Automatic determination of an energy window for a Wannier calculation

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throughput		throughput
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Throughput

A python tool for Automatic determination of energy windows for wannier functions via pDOS calculated by QuantumESPRESSO

prerequisite

pDOS files calculated by QuantumESPRESSO

future

building completely automatic workflow which includes first-principle calculations and calculations for a wannier function

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Automatic determination of an energy window for a Wannier calculation

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Python 100.0%