GPAW
Features and algorithms
Installation
Documentation
Tutorials and exercises
Basics
Structure optimization
Energetics
Electronic structure
Electrostatics and -dynamics
Magnetic properties
Zero-field splitting
Electron spin and magnetic structure
Magnon dispersion from the magnetic force theorem
Local properties of individual magnetic sites
Spin spiral calculations
Molecular dynamics
Optical response
Vibrational properties
Wave functions and charge transfer
Local Orbitals
Tutorial for ESS workshop 2025 - Magnetism and exchange constants
Frequently asked exercise questions
Atomic PAW Setups
Release notes
Gallery
GPAW ecosystem
Contact
Frequently Asked Questions
Development
Perfomance index benchmarks
Summer schools
Workshops
Bugs!
Roadmap
GPAW
index
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modules
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gitlab
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page source
Magnetic properties
Zero-field splitting
zfs()
convert_tensor()
Examples
Electron spin and magnetic structure
Magnon dispersion from the magnetic force theorem
Background theory
GPAW implementation
Example 1 (Introductory): bcc-Fe
Example 2 (Advanced): hcp-Co
Excercises
References
Local properties of individual magnetic sites
Local functionals of the spin-density
Site-based sum rules
Exchange parameters
Excercises
API
References
Spin spiral calculations
Ground state of Monolayer
\(\text{NiI}_2\)