VASP best practices workshop
In this NSC NAISS-ENCCS VASP best practices workshop, online 4-5th April 2023, we will consider how to run the Vienna Ab-initio Simulation Package (VASP) efficiently on supercomputers. The workshop is mostly suitable for beginners and intermediate users at different stages and the focus will be on best practices for running VASP calculations. The hands-on part will be done at the Tetralith (NAISS) or Meluxina (EuroHPC) clusters. Parts of the seminars (to be made available for download) can also be of interest for advanced users.
For the exact schedule and further information, check the NSC and ENCCS workshop pages, respectively.
Zoom link and workshop document for writing questions & answers are sent out to participants by email.
Basic experience with using the command line in a Linux/Unix environment
Useful but not necessary: basic knowledge of electronic structure theory and/or DFT
Who is the course for?
This workshop is mostly suitable for beginners and intermediate users at different stages and the focus will be on best practices for running VASP calculations.
About the course
For further details, see the respective NSC and ENCCS workshop pages. Note that in the future, the materials might be moved to the NSC past events page.
The lesson file structure and browsing layout is inspired by and derived from work by CodeRefinery licensed under the MIT license. We have copied and adapted most of their license text.
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