2019, SINTEF, Oslo, Norway¶
These are the hands-on materials for the AiiDA tutorial held at the VASP and AiiDA workshop at SINTEF in Oslo, Norway from September 23-27, 2019.
While participants of the tutorial used virtual machines on a cloud service, you can follow the tutorial on your own computer using the Quantum Mobile VirtualBox image linked above. The image already contains all the required software.
AiiDA hands-on materials¶
The materials for the aiida-vasp tutorial held on September 26-27 can be found in the aiida-vasp documentation.
- 1. Setting up computers and codes
- 2. General comments
- 3. How to use
- 4. Internals: Kinds and Sites
- 5. Conversion to/from ASE
- 6. Conversion to/from pymatgen
- 7. Introduction: Pseudopotential families
- 8. Creating a pseudopotential family
- 9. Getting the list of existing families
- 10. Manually adding pseudopotentials
- 11. Calculation input validation
- 12. Restarting calculations
- 13. Queries in AiiDA - Examples and Exercises
- 14. More workflow logic: while loops and conditional statements