CCL: Complexe optimization
- From: "Bonoit Bonoit" <ablux13-*-gmail.com>
- Subject: CCL: Complexe optimization
- Date: Thu, 10 Mar 2016 06:45:07 -0500
Sent to CCL by: "Bonoit Bonoit" [ablux13(a)gmail.com]
Dear CCLers,
I would like to enquire about the optimization of complexes. I have some
troubles to optimize the structure of a copper complexe. Each time, I
launch the calculation, it diverges and the complexe falls apart to its
fragments.
Have anyone an idea about the methodology or keywords I might use to
overcome this problem.
Any help is appreciated
Thank you in advance
Regards,
Bonoit