[molpro-user] Syntax of symmetry command in MOLPRO 2009.1

jacek klos jklos at umd.edu
Mon Aug 24 23:52:16 BST 2009


Dear Molpro Users,

The current manual for 2009.1 version of Molpro specifies  geometry  
input in 10.1 Section. There is
a syntax for symmetry command as: [SYMMETRY={ options }].
The above syntax doesn't work, the one which works ( and can be found  
in some of the inputs in the 'examples' folder in Molpro source tree)
is the following: [SYMMETRY,options] , where options are the same as  
10.1 Section explains, for example 'symmetry,x,y' to get C2v symmetry.

Best regards
Jacek  Klos




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