CONQUEST

Getting Started

  • Overview: Why CONQUEST?
  • Frequently Asked Questions
  • Quick Overview
  • Installation
  • Example calculations

User Guide

  • Input and output
  • Finding the ground state
  • Converging Parameters
  • Basis sets
  • Electronic Structure
  • Structural relaxation
  • Molecular Dynamics
  • Post-processing CONQUEST output
  • Managing Conquest with ASE
  • External tools
  • Error codes
  • Input tags
  • Generating PAOs

Tutorials

  • Introductory Tutorials
  • Structural Relaxation Tutorials
  • Molecular Dynamics Tutorials
  • Basis Function Tutorials
  • Advanced Tutorials

Theory

  • Background on energy, forces and stress
  • Structural relaxation: Theory
  • Molecular Dynamics: Theory
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