events:2019_cp2k_workshop_ghent:index
Introduction to CP2K
Material from the CP2K Workshop held at the High Performance Computing Infrastructure Center, Ghent University, 11th-13th March 2019 is listed below.
Agenda & Slides
Monday 11th March
- 9.30-10.00: Arrival and Registration
- 10.00-11.30: Gaussian and Plane Waves Method - Juerg Hutter Slides
- 11.30-11.45: Coffee Break
- 11.45-13.00: Ab initio Molecular Dynamics - Juerg Hutter Slides
- 13.00-14.00: Lunch Break
- 14.00-17.00: Running CP2K calculations
Tuesday 12th March
- 9.00-10.30: Gaussian and Augmented Plane Waves Method and Electronic Structure Properties - Marcella Iannuzzi
- 10.30-11.00: Coffee Break
- 12.30-14.00: Lunch Break
- 14.00-17.00: Running CP2K calculations
Wednesday 13th March
- 9.00-10.30: Metadynamics, NEB Methods - Marcella Iannuzzi
- 10.30-11.00: Coffee Break
- 11.00-12.30: Parallelization, Automatization, Input Magic - Tiziano Mueller Slides
- 12.30-14.00: Lunch Break
- 14.00-17.00: Running CP2K calculations
Exercises
Some of the exercises below have instructions on how to run on specific machines - please ignore them and follow the instructions for running on the local infrastructure, or your own machine.
Introductory exercises:
Intermediate exercises:
Extended exercises:
events/2019_cp2k_workshop_ghent/index.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1