Quick tour: Single-point Energy Calculation Quick tour: Geometry Optimization Quick tour: Harmonic Vibrational Frequencies CRYSTAL Input: Geometry CRYSTAL Input: Basis set CRYSTAL Input: SCF & Other

All-inclusive Introduction Single-point Energy Calculation SCF Convergence Tools Geometry Optimization

Surfaces Nanotubes NanoRods & NanoCrystals Fullerenes Disordered Systems & Solid Solutions Metallic systems Metal/Oxide Interfaces Defects Magnetic Systems Structural manipulation with the MOLDRAW graphical package

Band Structure, Density of States, Charge Density map Charge Density Topological Analysis Electron Momentum Density Color-coded 3D plots How to plot Crystalline Orbitals

Vibrational Frequencies Calculation Phonon Dispersion Thermodynamics Quasi - Harmonic Approximation Equation of State

Dielectric: Coupled Perturbed HF/DFT Dielectric: Finite Field Elastic Piezoelectric Photoelastic

Transition State Search How to use 4f-in-core ECPs How to run CRYSTAL on HPC Dispersion & BSSE corrections CRYSCOR: the MP2 energy correction (only in CRYSTAL14)