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events:2018_summer_school:index [2018/06/11 09:54] – ↷ Links adapted because of a move operation ibethuneevents:2018_summer_school:index [2018/06/18 21:43] ibethune
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 Material from the CP2K Summer School held at the [[https://www.hartree.stfc.ac.uk/Pages/home.aspx|Hartree Centre]], STFC Daresbury, 19th-22nd June 2018 is listed below. Material from the CP2K Summer School held at the [[https://www.hartree.stfc.ac.uk/Pages/home.aspx|Hartree Centre]], STFC Daresbury, 19th-22nd June 2018 is listed below.
  
-===== Slides =====+===== Agenda & Slides =====
  
-  {{events:2016_summer_school:cp2k_intro.pdf|Introduction and Overview of CP2K}}, Iain Bethune + Tues 19th June 
-  * {{events:2016_summer_school:running_cp2k_calculations.pdf|Running CP2K Calculations}}, Iain Bethune +  12.00-13.30Arrival & Registration 
-  * {{events:2016_summer_school:cp2k_accounts.pdf|Setting up computer accounts}}Iain Bethune +  * 13.30-15.00: Introduction to CP2K, Setting up computer accounts & running jobs - Iain Bethune 
-  * {{events:2016_summer_school:cp2k_exercises.pdf|Introduction to Exercises}}, Iain Bethune +    * {{events:2018_summer_school:cp2k_intro.pdf|Introduction and Overview of CP2K}} 
-  * {{events:2016_summer_school:building_cp2k.pdf|Building CP2K}}, Iain Bethune +    * {{events:2018_summer_school:cp2k_accounts.pdf|Setting up computer accounts}} 
-  * Gaussian and (Augmented) Plane Waves Method: [[events:2016_summer_school:GPW|notes]], [[https://mattatlincoln.github.io/talks/cp2k_summerschool_2016/#/| slides]]Matt Watkins +  * 15.00-15.30: Coffee Break 
-  * {{events:2016_summer_school:20160824_SCF.pdf|SCF Methods - Diagonalisation & Orbital Transformation}} +  * 15.30-17.00: Running CP2K calculations - Iain Bethune 
-  * Hybrid Functionals and ADMM: [[https://mattatlincoln.github.io/talks/cp2k_workshop_2017/index.html#/| slides]] +    * {{events:2018_summer_school:running_cp2k_calculations.pdf|Running CP2K Calculations}} 
-  * {{events:2016_summer_school:cp2k_moving_atoms.pdf|Moving atoms - AIMD, geometry optimisation}}Iain Bethune +    * {{events:2018_summer_school:cp2k_exercises.pdf|Introduction to Exercises}} 
-  * [[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+ 
 + Wed 20th June 
 +  * 9.00-10.30: Gaussian and (Augmented) Plane Waves Method: [[events:2016_summer_school:GPW|notes]], [[https://mattatlincoln.github.io/talks/cp2k_summerschool_2016/#/| slides]] Matt Watkins 
 +  * 10.30-11.00Coffee Break 
 +  * 11.00-12.00: SCF Methods - Diagonalisation & Orbital Transformation:[[https://mattatlincoln.github.io/talks/cp2k_summerschool_2018/index.html#/|slides]], {{events:2016_summer_school:20160824_SCF.pdf|detailed notes}} - 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: {{events:2016_summer_school:cp2k_moving_atoms.pdf|Moving atoms - AIMD, geometry optimisation}} Iain Bethune 
 + 
 +Thu 21st June 
 +  * 9.00-10.30: Hybrid Functionals and ADMM - Sanliang Ling 
 +  * 10.30-11.00: Coffee Break 
 +  * 11.00-12.00: {{events:2016_summer_school:cp2k_parallel.pdf|Parallel Performance}} Iain Bethune 
 +  * 12.00-13.00: Lunch Break 
 +  * 13.00-15.00: {{events:2016_summer_school:building_cp2k.pdf|Building CP2K}} (optional) - Iain Bethune  
 +  * 15.00-15.30: Coffee Break 
 +  * 15.30-17.00: Exercises 
 + 
 +  * 19.30: Dinner at [[https://www.chefandbrewer.com/pubs/cheshire/ring-o-bells/|Ring O' Bells]], Daresbury Village ({{ringobellsmenu.pdf|Menu}}, [[https://goo.gl/forms/kmvQRKOuZLHRosPj2|Selection form]]) 
 + 
 +Fri 22nd June 
 +  * 9.00-10.30: Advanced Topics 
 +  * 10.30-11.00: Coffee Break 
 +  * 11.00-12.00: Exercises 
 +  * 12.00: Lunch and depart
  
 ===== Exercises ===== ===== Exercises =====
  
   * {{events:2016_summer_school:archerQuickReference.pdf|ARCHER Quick Reference Sheet}}   * {{events:2016_summer_school:archerQuickReference.pdf|ARCHER Quick Reference Sheet}}
-  * {{events:2016_summer_school:runningOnARCHER.pdf|Instructions for running Parallel Jobs on ARCHER}}+  * {{events:2018_summer_school:archer.pdf|Instructions for running Parallel Jobs on ARCHER}}
  
 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. 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.
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   * [[howto:converging_cutoff|Accuracy parameters: Converging CUTOFF and REL_CUTOFF]]   * [[howto:converging_cutoff|Accuracy parameters: Converging CUTOFF and REL_CUTOFF]]
   * [[events:2018_summer_school:converging_cutoff|Converging CUTOFF for a more realistic problem]]   * [[events:2018_summer_school:converging_cutoff|Converging CUTOFF for a more realistic problem]]
 +  * [[events:2018_summer_school:scf_setup|Sensible SCF setups]]
   * [[howto:geometry_optimisation|Geometry optimisation in CP2K]]   * [[howto:geometry_optimisation|Geometry optimisation in CP2K]]
  
events/2018_summer_school/index.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1