pypi.org "full-potential" keyword
aiida-kkr 2.3.1
AiiDA plugin for the JuKKR codes36 versions - Latest release: almost 2 years ago - 1 dependent repositories - 218 downloads last month - 16 stars on GitHub - 1 maintainer
aiida-fleur 2.0.0
AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workcha...15 versions - Latest release: over 3 years ago - 2 dependent packages - 1 dependent repositories - 349 downloads last month - 16 stars on GitHub - 1 maintainer
Related Keywords
judft
2
high-throughput
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magnetism
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forschungszentrum-juelich
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electronic-structure
2
density-functional-theory
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condensed-matter-physics
2
computational-materials-science
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band-structure
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ab-initio
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workflow
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all-electron
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dft
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aiida
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inpgen
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workflows
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fleur
1
flapw
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juelich
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kohn-sham
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plane-wave
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spintronics
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superconductivity
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multiple-scattering
1
greens-functions
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defects
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coherent-potential-approximation
1
kkr
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material science
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