Differences between revisions 12 and 13
Revision 12 as of 2007-02-07 15:49:56
Size: 1019
Editor: landau
Revision 13 as of 2010-10-20 09:11:46
Size: 1019
Editor: localhost
Comment: converted to 1.6 markup
No differences found!


Below you can find a tutorial giving some basic information on how Python is used to set up calculations.

For more information, the examples is at the moment the best source of information.

Tutorial 1:
Introduction to running the dacapo total energy code using the Python scripting language.

10302 Exercises

These exercises are used in the course Electronic structure methods in materials physics, chemistry and biology. For comments and questions, email jensj.

  1. Exercise 1: Getting started with Dacapo
  2. Exercise 2: Aluminum surfaces and adsorbates
  3. Exercise 3: Spin polarized calculations
  4. Exercise 4: Analysis tools for surfaces and solids
  5. Exercise 5: Nudged Elastic Band calculations

Solutions are also available.

Dacapo: Tutorials (last edited 2010-11-03 13:43:49 by OleHolmNielsen)