CCL:G: g98:Maximum number of allowed steps
- From: "Close, David M."
<CLOSED###mail.etsu.edu>
- Subject: CCL:G: g98:Maximum number of allowed steps
- Date: Fri, 19 Oct 2007 12:22:51 -0400
Sent to CCL by: "Close, David M." [CLOSED=-=mail.etsu.edu]
That's easy. The Gaussian manual says to use MaxCycle=N.
There are of course two cycles in an iteration. Each SCF iteration
takes a number of cycles, and the optimization requires a number of
steps. You can increase both of these if necessary.
-----Original Message-----
> From: owner-chemistry:_:ccl.net [mailto:owner-chemistry:_:ccl.net]
Sent: Friday, October 19, 2007 10:27 AM
To: Close, David M.
Subject: CCL: g98:Maximum number of allowed steps
Sent to CCL by: "soumya s" [soumya_samineni-.-rediffmail.com]
hi all
Is there no way of increasing the MAXIMUM allowed number of steps for
an optimisation ?
thanx in advance
and more thanx for the way the CCL subscribers r helping me to learn
more
soumya
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