CCL:G: "Final forces over variables" and "-nan" in the
Gaussian output.
- From: Vincent Xianlong Wang <xloongw=-=yahoo.com>
- Subject: CCL:G: "Final forces over variables" and
"-nan" in the Gaussian output.
- Date: Fri, 3 Apr 2009 01:05:04 -0700 (PDT)
Sent to CCL by: Vincent Xianlong Wang [xloongw]-[yahoo.com]
Hi Roman,
I assume it is short for "Not A Number". So, it is an overflow issue.
Vincent
----- Original Message ----
> From: Roman D Gorbunov rgorbuno]~[aecom.yu.edu
<owner-chemistry^ccl.net>
To: "Wang, Xianlong " <xloongw^yahoo.com>
Sent: Friday, April 3, 2009 6:34:54 AM
Subject: CCL:G: "Final forces over variables" and "-nan" in
the Gaussian output.
Sent to CCL by: "Roman D Gorbunov" [rgorbuno(~)aecom.yu.edu]
Dear CCL Subscribers,
In my Gaussian output file after the "Final forces over variables,
Energy=-1.78040761D+03:" there are a lot of "-nan".
Does anybody know what does it means?
Thank you in advance,
Romanhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt