====== CP2K Summer School 2016 ======
Material from the CP2K Summer School held at King's College London, 23rd-26th August 2016 is listed below.

===== Slides =====

  * {{events:2016_summer_school:cp2k_intro.pdf|Introduction and Overview of CP2K}}, Iain Bethune
  * {{events:2016_summer_school:running_cp2k_calculations.pdf|Running CP2K Calculations}}, Iain Bethune
  * {{events:2016_summer_school:cp2k_accounts.pdf|Setting up computer accounts}}, Iain Bethune
  * {{events:2016_summer_school:cp2k_exercises.pdf|Introduction to Exercises}}, Iain Bethune
  * {{events:2016_summer_school:building_cp2k.pdf|Building CP2K}}, Iain Bethune
  * [[events:2016_summer_school:GPW|Gaussian and (Augmented) Plane Waves Method]], Matt Watkins
  * {{events:2016_summer_school:20160824_SCF.pdf|SCF Methods - Diagonalisation & Orbital Transformation}}, Lianheng Tong
  * {{events:2016_summer_school:cp2k-uk-summer-school-sanliang-ling.pdf|Van der Waals and Hybrid Functionals, ASE interface to CP2K}}, Sanliang Ling
  * {{events:2016_summer_school:cp2k_moving_atoms.pdf|Moving atoms - AIMD, geometry optimisation}}, Iain Bethune
  * {{events:2016_summer_school:beyond_hf_cp2k.pdf|Beyond Hartree-Fock methods}}, Jan Wilhelm
  * [[events:2016_summer_school:QMMM|Multiscale modelling - mixed Hamiltonians and external fields]], Matt Watkins
  * {{events:2016_summer_school:cp2k_parallel.pdf|Parallel Performance}}, Iain Bethune
  * {{events:2016_summer_school:|Excited States}} (To be added), Matt Watkins

===== Exercises =====

  * {{events:2016_summer_school:archerQuickReference.pdf|ARCHER Quick Reference Sheet}}
  * {{events:2016_summer_school:runningOnARCHER.pdf|Instructions for running Parallel Jobs on ARCHER}}

Introductory exercises:

  * [[howto:static_calculation|Calculating Energy and Forces using QuickStep]]
  * [[howto:converging_cutoff|Accuracy parameters: Converging CUTOFF and REL_CUTOFF]]
  * [[howto:geometry_optimisation|Geometry optimisation in CP2K]]

Intermediate exercises:
  * [[exercises:2016_summer_school:geometry_and_cell_optimization|Geometry and cell optimization of NaCl clusters]]
  * [[exercises:2016_summer_school:gga|'Surface Science' using local GGA functionals]]
  * [[exercises:2016_summer_school:aimd|Ab initio MD of bulk liquid water]]
  * [[exercises:2016_summer_school:hfx|Hybrid functionals and ADMM]]
  * [[exercises:2015_pitt:mp2|Wavefunction correlation: MP2 & RPA]]
  * [[exercises:2015_pitt:ls|Linear scaling DFT]]
  * [[exercises:2016_summer_school:qmmm|QMMM using GEEP]]
  * [[exercises:2016_summer_school:excited|Excited States]]

Extended exercises:
  * [[exercises:2015_cecam_tutorial:mtd1|Metadynamics]]
  * [[exercises:2015_cecam_tutorial:urea|QM/MM]]
  * [[exercises:2015_cecam_tutorial:neb|Nudged Elastic Band]]
  * [[exercises:2015_cecam_tutorial:forcefields|Classical forcefields (CHARMM)]]