dft-book/_toc.yml at master · jkitchin/dft-book · GitHub

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# Table of contents
# See https://jupyterbook.org/customize/toc.html

format: jb-book
root: notebooks/01-introduction-to-book

parts:
  - caption: Fundamentals
    chapters:
      - file: notebooks/02-introduction-to-dft

  - caption: Applications
    chapters:
      - file: notebooks/03-molecules/01-introduction
        sections:
          - file: notebooks/03-molecules/02-defining-and-visualizing-molecules
          - file: notebooks/03-molecules/03-simple-properties
          - file: notebooks/03-molecules/04-simple-properties-that-require-single-computations
          - file: notebooks/03-molecules/05-geometry-optimization
          - file: notebooks/03-molecules/06-vibrational-frequenciesproperties
          - file: notebooks/03-molecules/07-simulated-infrared-spectra
          - file: notebooks/03-molecules/08-thermochemical-properties-of-molecules
          - file: notebooks/03-molecules/09-molecular-reaction-energies
          - file: notebooks/03-molecules/10-molecular-reaction-barriers
      - file: notebooks/04-bulk-systems/01-introduction
        sections:
          - file: notebooks/04-bulk-systems/02-defining-and-visualizing-bulk-systems
          - file: notebooks/04-bulk-systems/03-computational-parameters-that-are-important-for-bulk-structures
          - file: notebooks/04-bulk-systems/04-determining-bulk-structures
          - file: notebooks/04-bulk-systems/05-using-built-in-ase-optimization-with-vasp
          - file: notebooks/04-bulk-systems/06-cohesive-energy
          - file: notebooks/04-bulk-systems/07-elastic-properties
          - file: notebooks/04-bulk-systems/08-bulk-thermodynamics
          - file: notebooks/04-bulk-systems/09-effect-of-pressure-on-phase-stability
          - file: notebooks/04-bulk-systems/10-bulk-reaction-energies
          - file: notebooks/04-bulk-systems/11-bulk-density-of-states
          - file: notebooks/04-bulk-systems/12-atom-projected-density-of-states
          - file: notebooks/04-bulk-systems/13-band-structures
          - file: notebooks/04-bulk-systems/14-magnetism
      - file: notebooks/05-surfaces
      - file: notebooks/06-atomistic-thermodynamics

  - caption: Advanced Topics
    chapters:
      - file: notebooks/07-advanced-electronic-structure
      - file: notebooks/08-databases