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  • DFTK School 2022
  • Getting started
    • Installation
    • Tutorial
    • Input and output formats
    • Timings and parallelization
    • Introduction to periodic problems
    • Density-functional theory
  • Examples
    • Temperature and metallic systems
    • Creating supercells with pymatgen
    • Creating slabs with ASE
    • Collinear spin and magnetic systems
    • Geometry optimization
    • Monitoring self-consistent field calculations
    • Saving SCF results on disk and SCF checkpoints
    • Polarizability by linear response
    • Gross-Pitaevskii equation in one dimension
    • Gross-Pitaevskii equation with external magnetic field
    • Cohen-Bergstresser model
    • Arbitrary floating-point types
    • Polarizability using automatic differentiation
    • Custom solvers
    • Custom potential
    • Wannierization using Wannier90
    • Practical error bounds for the forces
  • Advanced topics
    • Notation and conventions
    • Data structures
    • Useful formulas
    • Crystal symmetries
  • API reference
  • Publications
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  • DFTK School 2022
  • DFTK School 2022
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DFTK School 2022

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