Disabling the use of symmetry.

seth carlton olsen solsen at students.uiuc.edu
Mon Dec 6 23:51:43 GMT 1999

	I have been unable to disable the use of symmetry in several
calculations I have been performing.  I have used the 'nosym' command in a
manner identical to the way it was used in other calculations that worked
(in which output stated that symmetry had been disabled).  I cannot find
any difference in the form of the geometry input for these cases, and I am
wondering if there are conditions under which one is not allowed to
disable the use of symmetry by the program.  For instance, is there a
maximum molecular size for which symmetry can be disabled?  
	Part of the motivation for this letter is that I am trying to
use molpro to reproduce results that I have calculated with other quantum
chemistry programs that I have used in the past.  Until recently, molpro
was effectively reproducing the results, but has since started giving me
very strange results.  I believe the problem is due to the way that molpro
treats symmetry.  


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