From owner-chemistry@ccl.net Fri Dec 20 17:48:00 2013 From: "shanawersi shanawersi()upatras.gr" To: CCL Subject: CCL: Fw: CCL: error termination via lnk1e in c:\G09w\1607.exe Message-Id: <-49470-131220174320-16612-A56iytuT9Uxzz2A9XmVkjA(a)server.ccl.net> X-Original-From: shanawersi Content-Type: multipart/alternative; boundary="=_c825fec68fafc1bc1e6f3bd1669a604c" Date: Sat, 21 Dec 2013 00:43:11 +0200 MIME-Version: 1.0 Sent to CCL by: shanawersi [shanawersi|,|upatras.gr] --=_c825fec68fafc1bc1e6f3bd1669a604c Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=UTF-8 I think in order to visualize NBOs, there is no need to save it in the checkpoint file. All required results will be written in output file using pop=(nbo,full) instead of savenbos. In addition to this you should also use opt=tight instead of opt for tight convergence criteria. I hope this will work. Good luck :). S. Niaz, Greece. On 2013-12-20 18:57, mahnaz ghiasi mahnaz271163],[yahoo.com wrote: > Dear shanawersi > shanawersi > Route > section: # opt freq=raman b3lyp/6-311++g(d,p) pop=(nbo,savenbo) > geom=connectivity > > On Friday, December 20, 2013 4:56 PM, shanawersi shanawersi~!~upatras.gr wrote: > > Mahnaz, you should be more specific in this case (NBOs)!!! Its better if you will provide some more details such as keywords you used in input and last part of output file etc. > S. Niaz > > On 2013-12-20 12:25, mahnaz gh mahnaz271163:yahoo.com wrote: > Sent to CCL by: "mahnaz gh" [mahnaz271163[-]yahoo.com] > Hi there > I ran an input in G09 and after 4 hours, the link died due to the "error termination via lnk1e in c:G09w1607.exe". Would you please help me to solve this problem? > regardsE-mail to subscribers: CHEMISTRY|a|ccl.net or use:[1] E-mail to administrators: CHEMISTRY-REQUEST|a|ccl.net or useSubscribe/Unsubscribe:Conferences: [2] http://server.ccl.net/chemistry/announcements/conferences/ [3]http://www.ccl.net/spammers.txt---1131079492-989901180-1387558647=:19483 [4] > Content-Type: text/html; charset=iso-8859-1 > Content-Transfer-Encoding: quoted-printable > > Hi there > I ran an input in G09 and after 4 hours, the link died due to the "error termination via lnk1e in c:G09w1607.exe". Would you please help me to solve this problem? > regardsE-mail to subscribers: CHEMISTRY|a|ccl.net or use: > http://www.ccl.net/cgi-bin/ccl/send_ccl_message [1] > > E-mail to administrators: CHEMISTRY-REQUEST|a|ccl.net or use > http://www.ccl.net/cgi-bin/ccl/send_ccl_message [1] > > http://www.ccl.net/chemistry/sub_unsub.shtml [5] > > Before posting, check wait time at: http://www.ccl.net [7] > > Job: http://www.ccl.net/jobs [8] > Conferences: http://server.ccl.net/chemistry/announcements/conferences/ [3] > > Search Messages: http://www.ccl.net/chemistry/searchccl/index.shtml [9]http://www.ccl.net/spammers.txt [10] > > RTFI: http://www.ccl.net/chemistry/aboutccl/instructions/ [11] Links: ------ [1][2] http://www.ccl.netConferences: [3] http://server.ccl.net/chemistry/announcements/conferences/ [4] http://www.ccl.net/chemistry/searchccl/index.shtmlhttp://www.ccl.net/spammers.txt---1131079492-989901180-1387558647=:19483 [5][6] http://www.ccl.net/ [7] http://www.ccl.net [8] http://www.ccl.net/jobs [9] http://www.ccl.net/chemistry/searchccl/index.shtml [10][11] http://www.ccl.net/chemistry/aboutccl/instructions/ --=_c825fec68fafc1bc1e6f3bd1669a604c Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=UTF-8
I think in order to visualize NBOs, there is no need to save it in the=
 checkpoint file. All required results will be written in output file using=
 pop=3D(nbo,full) instead of savenbos. In addition to this you should also =
use opt=3Dtight instead of opt for tight convergence criteria. I hope this =
will work. Good luck :).

S. Niaz, Greece.

 

On 2013-12-20 18:57, mahnaz ghiasi mahnaz271163],[yahoo.com wrote:

Dear shanawersi
shanawersi
Route
section: # opt freq=3Draman b3lyp/6-311++g(d,p) pop=3D(nbo,savenbo)
geom=3Dconnectivity


On Friday, December 20, 2013 4:56 PM, shanawersi shanawersi~!~upatras.gr &l=
t;owner-chemistry..ccl.net> wrote:
=20
Mahnaz, you should be more specific in this case (NBOs)!!! Its better if yo=
u will provide some more details such as keywords you used in input and las=
t part of output file etc.
S. Niaz
 
On 2013-12-20 12:25, mahnaz gh mahnaz271163:yahoo.com wrote:
Sent to CCL by: "mahnaz  gh" [mahnaz271163[-]yahoo.com]
Hi there
I ran an input in G09 and after 4 hours, the link died due to the "error te=
rmination via lnk1e in c:\G09w\1607.exe". Would you please help me to solve=
 this problem?
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Content-Type: text/html; charset=3Diso-8859-1
Content-Transfer-Encoding: quoted-printable

Hi there
I ran an input in G09 and after 4 hours, the link died due to the "error te=
rmination via lnk1e in c:\G09w\1607.exe". Would you please help me to solve=
 this problem?
regards



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