MAterials Simulation Toolkit (MAST) v1.3.3 with dilute solute diffusion input files

Software OPEN SOURCE
MAST Development Team;
(2016)

<p>The MAterials Simulation Toolkit (MAST) is an automated workflow manager and post-processing tool.</p> <p>MAST is primarily designed to perform automated atomic simulation calculations for diffusion and defect workflows, especially using density functional theory... View more
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