Electronic Structure Common Data Format Specifications¶

Contents:

  • Introduction
    • Motivations
    • Use cases
  • Global Specifications
    • File structure
    • Global variables
    • Global conventions
    • Links of interest
  • System
    • General overview
    • Detailed description of variables
    • NOMAD Meta Info
    • Examples
  • Basis Sets
    • General overview
    • Detailed description of variables
  • Densities
    • General overview
    • Detailed description of variables
  • Potentials
    • General overview
  • States
    • General overview
    • Detailed description of variables
  • Extensions
    • General overview
    • Reserved keywords

Indices and tables¶

  • Index
  • Module Index
  • Search Page

License¶

This content is available under a Creative Commons Attribution-ShareAlike 4.0 License unless otherwise noted.

Electronic Structure Common Data Format

Navigation

  • Introduction
  • Global Specifications
  • System
  • Basis Sets
  • Densities
  • Potentials
  • States
  • Extensions

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