Tutorials for exciting Lithium
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Getting started
- How to start an exciting calculation — by Andris Gulans
- Simple convergence tests — by Pablo Garcia Risueno
Electronic Structure
- Electronic-structure calculations — by Jürgen Spitaler
Structure Optimization
- Volume optimization for cubic systems — by Pasquale Pavone
- Structure optimization for cubic systems — by Pasquale Pavone
- General lattice optimization — by Rostam Golesorkhtabar
Elastic Constants
- Energy vs. strain calculations — by Pasquale Pavone
- ElaStic@exciting: Elastic-constants calculation — by Rostam Golesorkhtabar
Energy Functionals
- Exchange-correlation functionals — by Ute Werner
- Exact-exchange calculations — by Ute Werner
- Van-der-Waals energy functional — by Dmitrii Nabok
Magnetic Properties
- Spin-polarized calculations — by Giulio Biddau
GW Method
- Electronic bandstructure from GW — by Dmitrii Nabok
Time-Dependent DFT
- Excited states from TDDFT — by Stephan Sagmeister & Santiago Rigamonti
- q-dependent TDDFT — by Kathrin Glantschnig
Bethe-Salpether Equation
- Excited states from BSE — by Weine Olovsson & Stephan Sagmeister
- X-ray absorption spectra using BSE — by Weine Olovsson & Stephan Sagmeister
Complex Systems
- Cluster-expansion of TiAl — by Jürgen Spitaler
- Atomic simulation environment — by Hong Li & Christian Meisenbichler
- Surface calculations — by Giulio Biddau
Phonon and Thermal Properties
- Phonons at Γ in diamond-structure crystals — by Pasquale Pavone
- Phonons at X in diamond-structure crystals — by Pasquale Pavone
- Phonon and thermal properties of diamond-structure crystals — by Pasquale Pavone & Stefan Kontur
Web Interface and Database
