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40.1.5 Options to specify the optimization coordinates

These options specify the coordinates in which the optimization takes place. The default is to use local normal coordinates. See opt_coord in section 40.2.2 for details.

COORD=NORMAL|NONORMAL|BMAT
NORMAL
(logical). Same as COORD=NORMAL.
NONORMAL
(logical). Same as COORD=NONORMAL.
BMAT
(logical). Same as COORD=BMAT.



molpro@molpro.net
Sep 24, 2008