By running the aim2000 program for a complex molecule I encountered with the "error in CO-value" how can I overcome to this problem
no comment
Dear Pro. Tayyari;
Probably, you have ECP in your calculation but put output=wfn. You should use of Wfx file for topological analysis . output=wfx and also use AIMAll software
Best Regards;
Alimohammadi
Dear Ms Alimohammadi ;
does AIMAll software need to professional license?
Is there no possibility to calculate if there is no license?
Hello Zahra Alimohammadi Keyvani ,
May i know what is the full form of ECP as you stated above?
Thank you in advance.
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