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28.2.3 Linear molecules (LINEAR, GENERAL)

GENERAL;

(default) invokes the normal program, which copes with any geometry.

LINEAR

invokes a faster program which can be used when all the atoms are arranged parallel to the $z$-axis and only the $m=0$ components of the multipoles are required.


P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002