Scanlon Materials Theory Group
Results
7
repositories owned by
Scanlon Materials Theory Group
sumo
177
Stars
77
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Heavyweight plotting tools for ab initio calculations
doped
102
Stars
25
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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-frien...
ShakeNBreak
69
Stars
15
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Defect structure-searching employing chemically-guided bond distortions
surfaxe
46
Stars
13
Forks
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Dealing with slabs for first principles calculations of surfaces
ThermoParser
37
Stars
13
Forks
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A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials science.
easyunfold
35
Stars
9
Forks
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Band structure unfolding made easy!