Random Search (RS)

Info

ASE is easy to start for beginners because when you install CrySPY, ASE is also automatically installed. Although not highly accurate, ASE provides very lightweight and fast interatomic potentials, making it suitable for testing on a laptop or other low-spec machines.

Preparation of input files

Follow one of the instructions below, then proceed to the section on running CrySPY.

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