User’s guide¶
- Databases for AiiDA
- AiiDA Backup
- Installation and Deployment of AiiDA
- Setup of computers and codes
- Plug-ins for AiiDA
- Scripting with AiiDA
- StructureData tutorial
- Quantum Espresso PWscf user-tutorial
- Importing previously run Quantum ESPRESSO pw.x calculations: PwImmigrant
- Quantum Espresso PWscf immigration user-tutorial
- Quantum Espresso Phonon user-tutorial
- Quantum Espresso Car-Parrinello user-tutorial
- Getting parsed calculation results
- Pseudopotential families tutorial
- Manually loading pseudopotentials
- The
verdi
commands - AiiDA schedulers
- Calculations
- Check the state of calculations
- Set calculation properties
- Comments
- Extracting data from the Database
- Querying in AiiDA
- AiiDA workflows
- Import structures from external databases
- Export data to external databases