Psi-k hands-on courses


  1. Psi-k training graduate school, Bristol, 25-30 March 2007 (CECAM hosted web-pages).
  2. Efficient density functional calculations with atomic orbitals: a hands-on tutorial on the SIESTA code, CECAM, Lyon, France, 18-22 June 2007 (Report on CECAM web pages)
  3. Tutorial on Use of the O(N) DFT code Conquest, 7-8 September 2007, CECAM, Lyon, France (Final Report)


  1. NIC Winter School 2006 “Computational nanoscience: do it yourself”, Forschungszentrum Jülich, 14-22 February 2006.
  2. Time-dependent density functional theory: prospects and applications, Benasque, Spain, 27 August – 11 September 2006. (final report)
  3. Quantum simulation of liquids and solids; CECAM, Lyon, France, 30 October – 10 November 2006 (final report)
  4. Simulating matter at the nanoscale using density functional theory, pseudopotentials and plane waves; CECAM, Lyon, France, 13-17 November 2006 (final report)
  5. Uppsala graduate school on modern electronic structure theory, Uppsala University, Sweden, 11-18 December 2006.


  1. Hands-on tutorial course on LDA+DMFT, Hamburg, May 17-20, (final report: see Newsletter 71, pp. 9)
  2. Hands-on course:  KKR bandstructure and spectroscopy calculations, University of Muenchen, Germany, 9-11 June, 2005 (Final report, see also Newsletter 70, pp. 33)
  3. Quantum simulation of liquids and solids, CECAM, France, 7-18 November, 2005. (Final report)


  1. Continuum quantum Monte Carlo methods, 12-23 January 2004
  2. International workshop and school on time-dependent density functional theory: prospects and applications, Benasque, August 28 – September 12


  1. Hands-on tutorial course on the Vienna ab initio simulation package VASP, Vienna February 10-13 2003.
  2. Hands-on workshop: application of density functional theory in condensed matter physics, surface physics, chemistry, engineering and biology, Berlin, 21-30 July 2003.
  3. CECAM-Psi-k tutorial on “Linear scaling density functional calculations with local orbitals”, CECAM Lyon, December 11-13 (final report)


  1. Hands-on Course: KKR band structure and spectroscopy calculations.  Organized by organised by Hubert Ebert and Walter Temmerman. 18 February- 23 February 2002; University of München, Inst. For Phys. Chem.
  2. “Hands-on FPLO”. For more information contact Dr. Manuel Richter.
  3. “Hands-on FLEUR”. For more information contact Prof. Stefan Blügel.


  1. Workshop on application of density functional theory in physics and biochemistry. Organised by Arno Schindlmayr, Peter Kratzer, Jörg Neugebauer and Matthias Scheffler. 23 July- 1 August 2001; Fritz-Haber-Institut, Berlin.
  2. Seventh Wien workshop, APW+lo calculations with the new WIEN2k code, Chairman K. Schwarz. September 25-29, 2001; University of Vienna, Austria.
  3. UK plane-wave pseudopotential tutorial workshop. Organizers: Philip Lindan, Stewart Clark and Walter Temmerman. 5-12 December 2001, Durham, UK.


  1. Sixth WIEN Workshop (Full potential LAPW calculations with the WIEN97 code),April 26-29, 2000


  1. Fifth WIEN workshop:  full-potential LAPW calculations with the WIEN97 code.  April 7-10, 1999 at Vienna University of Technology, Austria. For further information:
  2. Hands-on dichroism course. Daresbury 26th April-1st May. For further information contact: Martin Lueders
  3. Calculation of material properties using total energy and force methods and ab initio molecular dynamics, Trieste, August 9-18, 1999. For further information, see,

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Ab initio (from electronic structure) calculation of complex processes in materials