GPAW
Features and algorithms
Installation
Documentation
Tutorials and exercises
Basics
Getting started with GPAW
Basics of GPAW calculations
Bulk aluminum
Setting up an aluminium surface
Calculation of atomization energies
Structure optimization
Energetics
Electronic structure
Electrostatics and -dynamics
Magnetic properties
Molecular dynamics
Optical response
Vibrational properties
Wave functions and charge transfer
Local Orbitals
Frequently asked exercise questions
Atomic PAW Setups
Release notes
Gallery
Contact
Frequently Asked Questions
Development
Summer schools
Workshops
Bugs!
GPAW
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Basics
Getting started with GPAW
Basics of GPAW calculations
Bulk aluminum
Setting up an aluminium surface
Calculation of atomization energies