ENCCS/NAISS Workshop: VASP/EMTO Best Practices
Online, 16-18 April
Published Feb 26, 2024
If you are materials science researcher or engineer who already has some experience with materials modelling and electronic structure calculations and you want to find out about using VASP for atomic-scale materials modelling and/or the all-electron density functional theory code EMTO, you are welcome to register for this ENCCS/NAISS workshop.
This workshop will include:
- basic theory, DFT and PAW-method,
- general introduction to VASP and EMTO, essential files and parameters, workflow,
- running VASP at HPC centers, CPUs and GPUs (examples from NAISS),
- performance analysis,
- common issues,
- post-processing tools, and
- running VASP/EMTO calculations step-by-step on the Tetralith and LUMI/Leonardo clusters.
For more details, including the registration link, see