ABINIT
 

Norm-conserving Pseudopotentials

This page gathers links to miscellaneous norm-conserving pseudopotentials that can be used by ABINIT, but are not among the recommended ones. Some of these (e.g., HGH) have been tested, but many others not. Although not recommended, they might still be perfectly fine, particularly for selected usages not permitted by the recommended ones.

  1. GGA (PBE) pseudopotential files (might be used for other GGA, mGGA, or hybrid functional calculations with caution, see Borlido et al, J. Chem. Theory Comput., 16, 3620 (2020)):
  2. GGA (HCTH 120 ixc=17) pseudopotential files:
  3. GGA (HCTH 470 ixc=27) pseudopotential files:
  4. GGA (BLYP ixc= -106131) pseudopotential files:
  5. GGA (BP86 ixc= -106132) pseudopotential files:
  6. LDA pseudopotential files:
  7. Programs to generate pseudopotentials: