This is a library of bulk local pseudopotentials (BLPSs) as developed in the group of Professor Emily A Carter at Princeton University ( https://carter.princeton.edu ).
Our BLPSs are generated using the LDA exchange-correlation functional (Perdew-Zunger-Ceperley-Alder) and the GGA exchange-correlation functional (Perdew-Burke-Ernzerhof) with no spin-polarization and are presented in two versions:
1. On a real space radial grid with the filename containing .lda.lps or .gga.lps, compatible with the ABINIT code.
2. On a reciprocal space grid with the filename containing .lda.recpot or .gga.recpot, compatible with the CASTEP code and PROFESS.
The BLPS files in this repository are licensed under Creative Commons Attribution-NoDerivatives 4.0.
The BLPSs are provided ''as is'' and any express or implied warranties, including, but not limited to, the fitness for a particular purpose are disclaimed.