Pseudopotentials for the ABINIT code

Clicking on a blue-highlighted element in the periodic table will start a download procedure that will transfer a text file containing the pseudopotential.

Use at own risk !
Pseudopotentials should always be tested in well-known situations,
before using them for predictions ...

GGA (PBE) pseudopotential files from FHI code



Note : The size of the file may vary between 30 kB and 150 kB.

GGA (PBE) ini files for the FHI code

Warning! The files below have been found not to correspond exactly to the pseudopotentials above.
Use with caution, and only as example inputs for your own pseudopotential studies.
Corrective measures are being taken.
(20 January 2007)

These pseudopotentials have been used in the publication by Lejaeghere et al, Science 351 (6280) (2016) and correspond to FHI98pp/ABINIT.
Some pseudopotentials are awfull and completely screwed the result (W -especially-, Fe, Co, Ni, Ti, V, Tl, Ta, Re, Os, Ni)



Note : These files were used to generate the above .fhi pseudopotentials with fhi98pp.
31 March 2001.