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DFTB+ Step

  • Getting Started
  • User Guide
  • Developer Documentation
  • API Documentation
    • DFTB+ documentation
    • Credits
    • History
    • SEAMM Documentation
    • MolSSI
  • GitHub
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  • Getting Started
  • User Guide
  • Developer Documentation
  • API Documentation
  • DFTB+ documentation
  • Credits
  • History
  • SEAMM Documentation
  • MolSSI
  • GitHub
  • Twitter

Section Navigation

  • DFTB+ Recipes
    • Recipe 1: First Calculation with DFTB+ in SEAMM
    • Recipe 1 extended: More flexible, useful workflows
    • Recipe 2: Band structure, DOS and PDOS in SEAMM
  • User Guide
  • DFTB+ Recipes

DFTB+ Recipes#

This section mirrors the DFTB+ recipes on the DFTB+ website, showing them in SEAMM rather than using an editor and the command-line. Some of the recipes will be extended to make more general recipes.

  • Recipe 1: First Calculation with DFTB+ in SEAMM
  • Recipe 1 extended: More flexible, useful workflows
  • Recipe 2: Band structure, DOS and PDOS in SEAMM

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Recipe 1: First Calculation with DFTB+ in SEAMM

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