Keyword category:

Enhanced Output

VECTORS

Description

Selected eigenvectors (15 MOs centered on HOMO-LUMO gap) listing the LCAO-MO solution to the wavefunction will be printed in the .out file file. If UHF was specified, then both alpha and beta eigenvectors will be printed. The eigenvectors are normalized to unity, such that the sum of the squares of the coefficients is required to be exactly one. See the keyword ALLVEC for a full set of eigenvectors.

See also:

ALLVEC