User Tools

Site Tools


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.

https://www.ugent.be/hpc/en/training/materials/2019/cp2k

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
  • 11.00-12.30: Hybrid Functionals, ADMM - Matt Watkins Interactive Slides Slides Video
  • 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: 2019/03/12 14:25 by mwatkins