# Advanced Tutorials

These tutorials cover specialized DFT methods and workflows.

## Overview

| Tutorial | Topic | Description | Notebook |
|----------|-------|-------------|----------|
| 11 | Phonons | Vibrational properties | [View](https://github.com/jkitchin/vasp/blob/master/docs/tutorials/11_phonons.ipynb) |
| 12 | DFT+U | Strongly correlated systems | [View](https://github.com/jkitchin/vasp/blob/master/docs/tutorials/12_dft_plus_u.ipynb) |
| 13 | Hybrid Functionals | Accurate band gaps | [View](https://github.com/jkitchin/vasp/blob/master/docs/tutorials/13_hybrid_functionals.ipynb) |
| 14 | Van der Waals | Dispersion corrections | [View](https://github.com/jkitchin/vasp/blob/master/docs/tutorials/14_van_der_waals.ipynb) |
| 15 | Workflows | Automated pipelines | [View](https://github.com/jkitchin/vasp/blob/master/docs/tutorials/15_workflows.ipynb) |
| 16 | NEB | Transition states and barriers | [View](https://github.com/jkitchin/vasp/blob/master/docs/tutorials/16_neb.ipynb) |
| 17 | Vibrations | Molecular vibrations and IR/Raman | [View](https://github.com/jkitchin/vasp/blob/master/docs/tutorials/17_vibrations.ipynb) |
| 18 | 3D Visualization | Structure visualization | [View](https://github.com/jkitchin/vasp/blob/master/docs/tutorials/18_3d_visualization.ipynb) |
| 19 | Pseudopotentials | POTCAR setup and selection | [View](https://github.com/jkitchin/vasp/blob/master/docs/tutorials/19_pseudopotentials.ipynb) |
| 20 | Interactive Mode | Persistent VASP sessions | [View](https://github.com/jkitchin/vasp/blob/master/docs/tutorials/20_interactive_mode.ipynb) |
| 21 | Cluster Expansion | Alloy thermodynamics with ICET | [View](https://github.com/jkitchin/vasp/blob/master/docs/tutorials/21_cluster_expansion.ipynb) |

## Topics Covered

### 11 - Phonons

Learn how to:
- Use finite displacement method with Phonopy
- Calculate phonon dispersion and DOS
- Compute thermal properties

### 12 - DFT+U

Learn how to:
- Apply Hubbard U corrections
- Choose appropriate U values
- Improve d-electron description

### 13 - Hybrid Functionals

Learn how to:
- Use HSE06 for accurate band gaps
- Balance accuracy vs. computational cost
- When to use hybrids vs. GGA

### 14 - Van der Waals

Learn how to:
- Apply D3-BJ dispersion corrections
- Compare different vdW methods
- Handle layered materials

### 15 - Workflows

Learn how to:
- Use the recipe system
- Create custom recipes
- Integrate with workflow engines

### 16 - Nudged Elastic Band

Learn how to:
- Set up NEB calculations
- Find minimum energy paths
- Locate transition states
- Calculate reaction barriers

### 17 - Vibrations

Learn how to:
- Calculate molecular vibrations
- Compute IR and Raman spectra
- Analyze vibrational modes

### 18 - 3D Visualization

Learn how to:
- Visualize structures with ASE
- Create publication-quality figures
- Animate trajectories

### 19 - Pseudopotentials

Learn how to:
- Set up POTCAR files
- Choose appropriate pseudopotentials
- Handle different VASP versions

### 20 - Interactive Mode

Learn how to:
- Use persistent VASP sessions
- Reduce I/O overhead
- Integrate with ASE optimizers

### 21 - Cluster Expansion

Learn how to:
- Build cluster expansion models with ICET
- Calculate alloy thermodynamics
- Generate training data with VASP
