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events:2018_summer_school:index

CP2K Summer School 2018

Material from the CP2K Summer School held at the Hartree Centre, STFC Daresbury, 19th-22nd June 2018 is listed below.

Group photo (click for full-size): ASCII

Agenda & Slides

Tues 19th June

Wed 20th June

  • 9.00-10.30: Gaussian and (Augmented) Plane Waves Method - Matt Watkins
  • 10.30-11.00: Coffee Break
  • 11.00-12.00: SCF Methods - Diagonalisation & Orbital Transformation - Matt Watkins
  • 12.00-13.00: Lunch Break
  • 13.00-15.00: Lightning talks and poster session
  • 15.00-15.30: Coffee Break
  • 15.30-17.00: Moving atoms - AIMD, geometry optimisation - Iain Bethune

Thu 21st June

Fri 22nd June

  • 9.00-10.30: Exercises
  • 10.30-11.00: Coffee Break
  • 11.00-12.00: Exercises
  • 12.00: Lunch and depart

Exercises

Some of the exercises below have instructions on how to run on other machines - please ignore them and follow the instructions for running on ARCHER, or your own machine.

Introductory exercises:

Intermediate exercises:

Extended exercises:

events/2018_summer_school/index.txt · Last modified: 2018/06/21 16:49 by ibethune