Tutorials will last about 3 hours. We plan to make an introduction into AiiDA and AiiDA-FLEUR data objects, calculations and workchains.
An approximate structure is:
- Data types in AiiDA: Node, Dict, StructureData, Code, Workchain ... ???
- Data types in AiiDA-FLEUR: FleurinpData as a representation of inp.xml
- FleurinpDataModifier: a class to modify FleurinpData
- inpgen code
- Fleur code
- SCF, MAE and SSDisp workchains. A small high-throughput study on 3-4 materials.
I think this should be fine for the tutorials. Daniel told me that it is better to have a bit more tasks than can fir into 3 hours.
Tutorials will last about 3 hours. We plan to make an introduction into AiiDA and AiiDA-FLEUR data objects, calculations and workchains.
An approximate structure is:
I think this should be fine for the tutorials. Daniel told me that it is better to have a bit more tasks than can fir into 3 hours.