CPMD-course at CSC 24.-25.10.2006
This page contais the course material held at CSC 24.-25.10.2006 by Ari-Paavo Seitsonen.
Additional material can be found at the page of last year's course in Taiwan:
http://www.iki.fi/~apsi/Science/Presentations/Taiwan-juillet-2005/lectures.html
The course material presented at CSC:
This tarball (tar.gz) has all the lectures, terminal session inputs and example outputs, for water calculations AND cube AND trajectory analysis tools.
Day one
- Intro material (pdf)
- CP-method and dynamics (pdf)
- Plane waves and pseudo potentials (pdf)
- Terminal-intro (hands on exercises, continued on day two)(pdf)
Day two
- A recap of Tuesday's topics (pdf)
- Thermostats, constraints, metadynamics (pdf)
- Property calculations (pdf)
- CPMD-cookbook: how to choose parameters etc. (pdf)
- (the additional afternoon material can be downloaded from the Taiwan course -site, see link above)
CPMD-manual can be found from the CPMD www-site: www.cpmd.org
You have to register to get a password to be able to download the code. The www-site
also has the searchable archives of the cpmd-mailing list, where code developers
and other actives answer user questions.
If you have any
questions, please contact Atte