CCL: How to add the geometry cycles in optimization by ORCA
- From: "Yi-wen Dong" <typ2469|*|163.com>
- Subject: CCL: How to add the geometry cycles in optimization by
ORCA
- Date: Sat, 22 Nov 2008 21:24:15 -0500
Sent to CCL by: "Yi-wen Dong" [typ2469[]163.com]
Dear all,
I have just optimized a Mo(VI) complex by semiempirical ZNDDO/1 using ORCA
program package and the work was failured due to the small geometry cycles.
Would you like to tell me how to add the geometry optimization cycles need in
optimization calculation? Thank you in advance.
Best wishes!
Yi-Wen Dong