TURBOMOLE Users Forum
Forum General => TURBOMOLE Forum General => Topic started by: inozerox on February 13, 2018, 03:48:31 AM
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Dear everyone
I hope everyone is OK.
I am here again trying to solve some problems that I have had trying to find a transition state using the program turbomole.
I hope somebody can help me.
First. I have some kind of confussion related with the meaning of the term itvc. Is it not related with the number of vibrational mode you obtain after performing a vibrational calculation?
Second. I have performed a series of geometry optimizations calculations. After finishing them I perform a vibrational calculation to check the imaginary vibrational modes. But, I have found more that one imaginary vibrational modes. I was thinking to use the module screwer. Do you recommend to use that module?
Cheers