Getting Started

We here present some examples of how to use the Dragonfruit workflow. In the first tutorial, we will guide you through using the workflow with the VASP software.

Note, that this requires already having a working VASP setup. Furthermore, VASP is executed using the ASE interface, and we therefore refer to the ASE VASP wiki for more information on how to configure your VASP setup to be used by the ASE VASP calculator.

Furthermore, it is assumed you have already prepared your MongoDB and RabbitMQ services. Instructions for installing MongoDB can be found in the mongo manual, and RabbitMQ at the rabbit website.

• Dragonfruit Setup
  • Your First Project
  • The DFT settings
  • Structure Generation with CLEASE