README: How to set environment variables for tutorials scripts REMINDER: exciting is always using atomic units (Hartree, Bohr, etc.)!

Getting Started

• Download and compile exciting
• How to start an exciting calculation
• Simple convergence tests

Electronic Structure

• Electronic-structure calculations
• How to visualize Kohn-Sham states

Structure Optimization

• Volume optimization for cubic systems
• Simple examples of structure optimization
• General lattice optimization

Molecules

• How to run calculations for simple molecules

Elastic Properties

• Energy vs. strain calculations
• ElaStic@exciting: Elastic-constants calculation
• How to calculate the stress tensor

Energy Functionals

• Exchange-correlation functionals
• Exact exchange calculations
• Van-der-Waals energy functional

Magnetic Properties

• Spin-polarized calculations SA

GW Method

• Electronic bandstructure from GW SA

Time-Dependent DFT

• Excited states from TDDFT SA
• q-dependent TDDFT SA

Bethe-Salpether Equation

• Excited states from BSE SA
• TDDFT calculations with different kernels SA
• X-ray absorption spectra using BSE SA

Phonons and Thermal Properties

• Phonons at Γ in diamond-structure crystals SA
• Phonons at X in diamond-structure crystals SA
• Phonon properties of diamond-structure crystals SA
• Thermal expansion of diamond-structure crystals SA
• How to visualize phonons SA

Raman Scattering

• Calculation of Raman spectra SA

Application-Oriented Tutorials

• Calculation of STM spectra SA
• Magneto-optical Kerr effect (MOKE) SA
• Fermi surface plot SA
• Second-harmonic generation SA

Insights in exciting / Documentation

• Hints on compiling exciting SA
• XML and exciting data format SA

exciting Species Files

• Understanding exciting species files