TODO list: documentations

[WuyihanVictor]

Planed to write 4 jupyter notebooks:

1. Setup

• Julia:
  • DFTK
  • AiidaDFTK
• Python:
  • aiida-core
  • aiida-DFTK plugin
  • computer
  • code
  • pseudo

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2. First calculation

• Silicon example from DFTK
  • structure
  • code
  • pseudo
  • kpoints
  • parameters

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3. First base workchain

• based on previous Si calculation

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4. First common workflow (optional)

• MoS2 example
  • setup DFTK aiida-common-workflow plugin
  • protocol