Codes¶
The section gives the instructions for codes supported by atomate2.
- VASP
- Configuration
- List of VASP workflows
- Static
- Relax
- Tight Relax
- Dielectric
- Transmuter
- HSE06 Static
- HSE06 Relax
- HSE06 Tight Relax
- Double Relax
- Materials Project structure optimization
- Band Structure
- Uniform Band Structure
- Line-Mode Band Structure
- HSE06 Band Structure
- HSE06 Uniform Band Structure
- HSE06 Line-Mode Band Structure
- Relax and Band Structure
- Elastic Constant
- Optics
- HSE06 Optics
- Phonons
- Grüneisen parameter workflow
- Quasi-harmonic Workflow
- Equation of State Workflow
- LOBSTER
- Modifying input sets
- Chaining workflows
- Installing Atomate2 from source with OpenMM