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LINCOMB,options
The LINCOMB directive allows for the calculation of linear combinations of normal coordinates
for the expansion of the potential. This is realized by 2x2 Jacobi rotations. At most 3N-6/2
rotations can be provided in the input.
- NM1=n, NM2=m
- Denote the two normal coordinates to be rotated.
- ANGLE=value
- Rotation angle in degree.
molpro@molpro.net 2012-02-11