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64.9 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.


molpro@molpro.net 2018-06-19