In this section we document the AiiDA WorkChains distributed in
They are tools that automatize some simple tasks that are commonly faced during the
the research process.
The WorkChains are constructed using exclusively the
calculations plugin described in the section “Calculations”.
- Base workflow
- Bandgap workflow
- Equation Of State workflow
- STM workflow
- Iterator workflow
- Converger workflow
- Sequential Converger workflow
- Basis optimization
- Epsilon workflow
- NEB Base workflow