CCL:G: CPHF failed to converge in LinEq1
- From: "Raphael Martinez"
<raphaelmartinez1983()gmail.com>
- Subject: CCL:G: CPHF failed to converge in LinEq1
- Date: Sun, 13 Jan 2013 20:49:29 -0500
Sent to CCL by: "Raphael Martinez" [raphaelmartinez1983+*+gmail.com]
I have this unexpected error using gaussian 09 while trying to optimized a
molecule that contains benzene rings conjugated through vinyl groups (0 1).
CPHF failed to converge in LinEq1.
Error termination via Lnk1e in /soft/gaussian/g09.c01/g09/linda-exe/l508.exel
Any ideas how to fix this?
Here is the command line of my input,
# opt=calcfc m062x/6-311+g(d,p) SCF=(qc,MaxCycle=4100)
The reason for the qc, and maxcycle=4100 is because the calculation was failing
with a Convergence failure -- run terminated.Error termination via Lnk1e in
.../g09/l502.exe. So I have to go extreme and type qc and 4100 max cycles. It is
also worth to mention that I was able to run the optimization with out the
"+".
Thanks a lot for the help