Name
VALIDCI — Indicate that the microstates to be read in are fully consistent.
Description
This keyword is only meaningful in combination with the
INCI keyword and indicates that the
microstates to be read in are
fully consistent, i.e., they are a full set of microstates from a previous run using
CIOUT, which were generated without a
perturbative selection of microstates and have not been edited. Specifying VALIDCI in such a
case, will improve both the accuracy and efficiency of a CI gradient calculation.
