pypi.org "pseudopotential" keyword
asedftk 0.2.7
DFTK-based calculator for ASE15 versions - Latest release: over 5 years ago - 1 dependent repositories - 89 downloads last month - 2 stars on GitHub - 1 maintainer
gpaw-data 1.0.1
Data package for PAW files and other data files for the GPAW DFT code.2 versions - Latest release: almost 2 years ago - 4.41 thousand downloads last month - 1 stars on gitlab.com - 1 maintainer
pseudohub 0.1.1
Fetch pseudopotential files from Pseudo-Dojo.2 versions - Latest release: 3 months ago - 35 downloads last month - 0 stars on GitHub - 1 maintainer
Related Keywords
DFT
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simulation
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python
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julia
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electronic-structure
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dftk
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density-functional-theory
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atomistic-simulations
1
ase
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DFTK
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ASE
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analysis
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ab-initio
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structure
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electronic
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science
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materials
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quantum
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chemistry
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computational
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theory
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density-functional
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quantum-espresso
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materials-science
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dft
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projector-augmented waves
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PAW
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density-functional theory
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GPAW
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