From owner-chemistry ^at^ ccl.net Fri Dec 18 16:32:01 2015
From: "Lufeng Zou g09gv5:+:gmail.com" <owner-chemistry{=}server.ccl.net>
To: CCL
Subject: CCL:G: restart option in Gaussian 09w
Message-Id: <-51933-151218123547-10724-4uGTzZ3Gjx/ydLVHW9OUzA{=}server.ccl.net>
X-Original-From: Lufeng Zou <g09gv5]_[gmail.com>
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Date: Fri, 18 Dec 2015 12:35:40 -0500
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Sent to CCL by: Lufeng Zou [g09gv5###gmail.com]
Dear Professor Sengupta:

Frequency and optimization are restarted differently. It is summarized
in the FAQ:

http://www.gaussian.com/g_blog/faq2.htm

For your specific question, I've just sent you a reply, please check
the email. Thank you.

Lufeng Zou, Ph.D.
Technical Support
Gaussian, Inc.
help*_*gaussian.com


On Fri, Dec 18, 2015 at 8:50 AM, Partha Sengupta anapspsmo(0)gmail.com
<owner-chemistry*_*ccl.net> wrote:
> Does this command be placed in additional step ? Please show an example with
> freq option.
>
>
> On Fri, Dec 18, 2015 at 3:26 PM, Wojciech Kolodziejczyk
> dziecial(!)icnanotox.org <owner-chemistry^^ccl.net> wrote:
>>
>> Try add keywords
>> # guess=read geom=checkpoint
>> but you have to remove all cartesians or z-matrix from file before run.
>> W.
>>
>> 17 gru 2015 18:37, "Partha Sengupta anapspsmo:-:gmail.com"
>> <owner-chemistry(0)ccl.net> napisał(a):
>>>
>>> Friends, I tried to complete a OPT=QST3 calculation but it failed for
>>> break in power supply.
>>> How can I use the restart option?
>>>
>>> %rwf=myrwf2b3lyp
>>> %chk=2b3lypTrans State 15 anthra.chk
>>> %mem=1500mb
>>> #b3lyp/6-31g(d) opt=(qst3 calcfc)
>>> 0 1
>>>  molecule specification
>>>
>>> .....
>>> --Link1--
>>> %rwf=myrwf2b3lyp
>>> %chk=2b3lypTrans State 15 anthra.chk
>>> %nosave
>>> %mem=1500mb
>>> #restart
>>> #b3lyp/6-31g(d) opt=(qst3 calcfc)
>>>
>>> 0 1
>>> Partha
>>>
>>> --
>>> Dr. Partha Sarathi Sengupta
>>> Associate Professor
>>> Vivekananda Mahavidyalaya, Burdwan
>
>
>
>
> --
> Dr. Partha Sarathi Sengupta
> Associate Professor
> Vivekananda Mahavidyalaya, Burdwan