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tinydft
tinydft PublicForked from theochem/tinydft
A minimalistic atomic Density Functional Theory (DFT) code
Python
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ShakeNBreak_wn
ShakeNBreak_wn PublicForked from SMTG-Bham/ShakeNBreak
Defect structure-searching employing chemically-guided bond distortions
Python
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VaspBandUnfolding
VaspBandUnfolding PublicForked from QijingZheng/VaspBandUnfolding
A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
Python
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doped_wn
doped_wn PublicForked from SMTG-Bham/doped
doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-fr…
Python
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