PWTK-2024: An Online Tutorial
- Owner: Roberto Bendinelli
- Created on Jan 17, 2025
The aim of the online PWTK-2024 tutorial is to teach participants how to use the PWTK scripting environment to effectively automate their Quantum ESPRESSO calculations by employing built-in workflows or creating their own. The tutorial will cover topics ranging from basic to more advanced scripting.
The tutorial consists of one hands-on session per day. Participants will use their laptops/desktops and will be given access to an HPC supercomputer to learn how to use PWTK on HPC machines.
Participants should have at least a basic knowledge of how to use Quantum ESPRESSO. Interested participants lacking Quantum ESPRESSO know-how can attempt to follow the first part of the online QE-2021 school before the PWTK-2024 tutorial.
Datasets in the Collection
Using PWTK on HPC machines; Convergence tests made easy by PWTK
Owner: Roberto Bendinelli
Created on Jan 17, 2025
Automating calculations and analyzing results with PWTK & XCrySDen
Owner: Roberto Bendinelli
Created on Jan 17, 2025
Special session: HOW TO script this & that (suggestions from participants)
Owner: Roberto Bendinelli
Created on Jan 17, 2025
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