ORNL/ScalableWorkflow_VASP_Calculations ORNL/ScalableWorkflow_VASP_Calculations

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  • Language
    Python
  • License
    BSD 3-Clause "New...
  • Created 12 months ago
  • Updated 3 months ago
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ORNL/ScalableWorkflow_VASP_Calculations
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ORNL

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Repository Details

Scalable workflow to generate VASP input cases with randomized atomic structures for solid solution binary and ternary alloys that span the entire compositional range

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