The MAterials Simulation Toolkit (MAST) for atomistic modeling of defects and diffusion
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文摘

MAST manages and post-processes ab-initio defect and diffusion workflows.

MAST includes a complete example for a diffusion coefficient workflow.

MAST includes a complete example for a defect formation energy workflow.

MAST has efficiently generated data for many publications.

MAST code is open source and available on github and the Python Package Index.

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