VASP tutorials

In addition to having an extended introductory tutorial on the use of VASP (presented during workshops here and here), I also have several posts intended as tutorial for students.

1. Basic Tutorials

  1. Convergence testing of new materials.
  2. Structure optimization: Equation of state fitting

2. More advanced Topics

  1. Manual creation of a primitive unit cell from a conventional unit cell (for the example of MOFs)

3. Random Topics

  1. One more digit of importance : general blog post discussing accuracy.
  2. VASP scaling behavior on BrENIAC
  3. Phonons obtained from VASP using the phonon module in HIVE :
    1. Introduction: Shake those atoms
    2. Folding Phonons