TURBOMOLE Users Forum

TURBOMOLE Modules => Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools => Topic started by: lasermichel on March 08, 2010, 10:47:31 AM

Title: Error message with tm2molden
Post by: lasermichel 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