464 B
464 B
This directory contains sample pseudopotentials and pseudo-atomic orbital (PAO) basis sets for elements in the PseudoDojo database (roughly speaking up to 86Rn).
It also includes the input files you will need for generating basis sets of your own using the CONQUEST basis generation code. More details are found in the documentation directory.
The potentials are available for LDA, PBE and PBEsol exchange-correlation functionals.