CCL: Convergence failure
- From: "Arash Edrisi"
- Subject: CCL: Convergence failure
- Date: Wed, 3 Sep 2014 05:06:06 -0400
Sent to CCL by: "Arash Edrisi" [arashedr()student.uef.fi]
To whom it may concern,
I am working with organometallic complexes and I want to optimize the structure.
But I have a major problem with the optimization of the structures.
I used the keywords below to launch my calculations;
#p opt=(cartesian,maxcyc=200) gen gfoldprint pbe1pbe pop=full pseudo=read
However all of the calculations turned to fail and did not converge.
I would be thankful if you will help me.