CCL: How to restart a frequency using checkpoint file.
- From: Tapas Kar <tapas.kar~!~usu.edu>
- Subject: CCL: How to restart a frequency using checkpoint
file.
- Date: Mon, 23 Apr 2012 16:42:30 +0000
Sent to CCL by: Tapas Kar [tapas.kar]![usu.edu]
Hello
You have to use rwf file to restart freq job:
Input example:
%rwf=pathname/filename.rwf
%chk= pathname/filename.chk
%mem=
#restart
Good luck
Tapas
-----Original Message-----
> From: owner-chemistry+tapas.kar==usu.edu_-_ccl.net [mailto:owner-chemistry+tapas.kar==usu.edu_-_ccl.net] On Behalf Of Shirin
Harisy ens2007-,-gmail.com
Sent: Monday, April 23, 2012 8:45 AM
To: Tapas Kar
Subject: CCL: How to restart a frequency using checkpoint file.
Sent to CCL by: "Shirin Harisy" [ens2007##gmail.com] the route
section was #B3LYP/6-31G(d) freq optcyc=400 how can i restart this job thankshttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt