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19.5.2 Rotating pairs of initial orbitals

ROTATE,orb1.sym,orb2.sym,angle

Performs a $2\times 2$ rotation of the initial orbitals orb1 and orb2 in symmetry sym by angle degrees. With angle=0 the orbitals are exchanged. ROTATE is meaningful only after the START card. See MERGE for other possibilities to manipulate orbitals.



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