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Home page > Teaching and Training > CPMD-CP2K tutorial > CPMD-CP2K tutorial

CPMD-CP2K tutorial

by Mathieu Salanne - 21 April 2010

All the versions of this article: English , français

  • Day 1: April, 6th 2010
    • Practical work: input files
      GZ - 1.3 Mb
  • Day 2: April, 7th 2010
    • lecture 4 (10h45-12h15): DFT in gaussian basis sets: implementation (RV)
      PDF - 275.9 kb
    • Practical work: input files
      GZ - 197.5 kb
  • Day 3: April, 8th 2010
    • lecture 5 (9h00-10h30): Ab initio molecular dynamics techniques (MS)
      PDF - 705.3 kb
    • lecture 6 (10h45-12h15): Wannier functions (Christian Simon)
    • Practical work: input files
      GZ - 42.3 kb
  • Day 4: April, 9th 2010
    • lecture 7 (9h00-10h30): Property calculations (RV)
      PDF - 216.2 kb
PDF - 852.3 kb
    • lecture 8 (10h45-12h15): Free energy calculations (FXC)
      PDF - 1.9 Mb
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