CCL: More iterations needed. NOT CONVERGED
- From: "Janjua Ramzan Saeed"
<dr_janjua2010{=}yahoo.com>
- Subject: CCL: More iterations needed. NOT CONVERGED
- Date: Sat, 4 Apr 2009 21:48:26 -0400
Sent to CCL by: "Janjua Ramzan Saeed" [dr_janjua2010[*]yahoo.com]
Dear Colleagues,
I have included following key words in ADF in-put file;
Geometry
ITERATIONS 100
End
scf
iterations 180
end
But following message appears in ADF out-put file:
More iterations needed. NOT CONVERGED
remark: FIT not very accurate
*** WARNING: BAD FIT ***
SCF NOT COMPLETELY CONVERGED
STOP GEOMETRY ITERATIONS
GEOMETRY DID NOT CONVERGE
NORMAL TERMINATION
END
What should I do any suggestion Please?
Thanks in anticipation!
Janjua PhD Scholar at NENU China