A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
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Updated
Sep 29, 2024 - Python
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all-electron
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AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
workflow band-structure density-functional-theory magnetism aiida ab-initio high-throughput electronic-structure plane-wave kohn-sham all-electron forschungszentrum-juelich spintronics condensed-matter-physics full-potential computational-materials-science judft
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Dec 12, 2024 - Python
AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.
workflow band-structure density-functional-theory defects magnetism aiida ab-initio high-throughput greens-functions electronic-structure superconductivity all-electron forschungszentrum-juelich kkr multiple-scattering condensed-matter-physics full-potential computational-materials-science judft coherent-potential-approximation
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Updated
Dec 10, 2024 - Python
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