Atomic data files

You may download three types of recommended atomic data files : 

  1. Norm-conserving pseudo potentials
  2. PAW atomic data files 
  3. Atomic densities

You may produce your own atomic data files :

To use ABINIT in specific conditions it is recommended to produce your own atomic data sets.

This is the case, for example, if one wants to make simulations in specific thermodynamic conditions, or use specific exchange-correlation functionals, etc...

  1. Norm-conserving pseudo potential generators
    1. ONCVPSP
    2. APE
    3. OPIUM
    4. FHI98PP
  2. PAW atomic data file generators
    1. AtomPAW atomic dataset generator
    2. USPP atomic dataset generator

You may download previous atomic data files