Random Search (RS)


ASE is easy to start for beginners because when you install CrySPY (csp-cryspy), ASE is also automatically installed.

Preparation of input files

Follow any one of the examples and then go to “Running CrySPY” section.

Running CrySPY

  1. Check cryspy.in
  2. (version 0.10.3 or earlier) Script to run
  3. First run
  4. Submit job
  5. Check results
  6. Append structures
  7. Analysis and visualization

Loading external data

Only if calc_code == ext.