events:2016_summer_school:index
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CP2K Summer School 2016
Material from the CP2K Summer School held at King's College London, 23rd-26th August 2016 is listed below.
Slides
- Introduction and Overview of CP2K, Iain Bethune
- Running CP2K Calculations, Iain Bethune
- Setting up computer accounts, Iain Bethune
- Introduction to Exercises, Iain Bethune
- Building CP2K, Iain Bethune
- Gaussian and (Augmented) Plane Waves Method, Matt Watkins
- SCF Methods - Diagonalisation & Orbital Transformation, Lianheng Tong
- Van der Waals and Hybrid Functionals, ASE interface to CP2K, Sanliang Ling
- Moving atoms - AIMD, geometry optimisation, Iain Bethune
- Beyond Hartree-Fock methods, Jan Wilhelm
- Parallel Performance, Iain Bethune
- Excited States (To be added), Matt Watkins
Exercises
Introductory exercises:
Intermediate exercises:
Extended exercises:
events/2016_summer_school/index.1481714818.txt.gz · Last modified: 2020/08/21 10:14 (external edit)