Next: 48.8 Schmidt orthonormalization (SCHMIDT) Up: 48 ORBITAL MERGING Previous: 48.6 Projecting orbitals (PROJECT)

48.7 Symmetric orthonormalization (ORTH)

ORTH, $n_1,n_2,\ldots,n_8$

Symmetrically orthonormalizes the first $n_i$ vectors in each symmetry $i$. These vectors must be supplied before by ORBITAL and MOVE or ADD directives.


molpro@molpro.net
Sep 24, 2008