Next: 34.10 Initialization of a Up: 34 ORBITAL MERGING Previous: 34.8 Schmidt orthonormalization (SCHMIDT)

34.9 Rotating orbitals (ROTATE)

ROTATE,iorb1.sym,iorb2,angle

Will perform $2\times 2$ rotation of orbitals iorb1 and iorb2 in symmetry sym by the specified angle (in degree). angle=0 means to swap the orbitals (equivalent to angle=90) These vectors must be supplied before by ORBITAL and MOVE or ADD directives.


P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000