ENCCS comes together with NAISS to organise the VASP/EMTO Best Practices Workshop. During the workshop we will showcase how to run the VASP (Vienna Ab-initio Simulation Package) and the EMTO (Exact Muffin-Tin Orbitals) packages efficiently on supercomputers. 

Who is this workshop for?

The workshop is mostly suitable for material scientists beginners and intermediate users at different stages and the focus will be on best practices for running VASP and EMTO calculations. Parts of the seminars (to be made available for download) can also be of interest for advanced users.

Prerequisites

This workshop is aimed towards researchers and engineers who already have some previous experience with materials modelling and electronic structure calculations:

• Basic experience with using the command line in a Linux/Unix environment and with working on an HPC system
• Useful but not necessary: basic knowledge of electronic structure theory and/or DFT calculations

Computing resources

Participants will get access to the Tetralith cluster in Linköping and the EuroHPC JU Leonardo Booster cluster for the hands-on sessions.