Author Topic: Error message with tm2molden  (Read 3192 times)

lasermichel

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Error message with tm2molden
« on: March 08, 2010, 10:47:31 am »
Hi,

I got the following error message with tm2molden in TURBOMOLE v5.9:

 705 is greater than mxcao=(ndi4*ndi19)=    704 - use higher ndi19 !


It was a continuation of e previous optimization within the same symmetry (Cs), so why should the dimension change?

Looking forward to your comments.

Michael