From owner-chemistry@ccl.net Thu Dec 17 11:49:01 2015
From: "Partha Sengupta anapspsmo:-:gmail.com" <owner-chemistry/a\server.ccl.net>
To: CCL
Subject: CCL: restart option in Gaussian 09w
Message-Id: <-51925-151217101934-9390-3nskBZiF2OBv/GFZo8175Q/a\server.ccl.net>
X-Original-From: Partha Sengupta <anapspsmo|*|gmail.com>
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Date: Thu, 17 Dec 2015 20:49:28 +0530
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Sent to CCL by: Partha Sengupta [anapspsmo:-:gmail.com]
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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 SenguptaAssociate ProfessorVivekananda Mahavidyalaya,
Burdwan*

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<div dir=3D"ltr"><div><div>Friends, I tried to complete a OPT=3DQST3 calcul=
ation but it failed for break in power supply.<br></div>How can I use the r=
estart option?<br><br clear=3D"all"><div>%rwf=3Dmyrwf2b3lyp<br>%chk=3D2b3ly=
pTrans State 15 anthra.chk<br>%mem=3D1500mb<br>#b3lyp/6-31g(d) opt=3D(qst3 =
calcfc)<br>0 1<br></div>=C2=A0molecule specification<br><br>..... <br>--Lin=
k1--<br>%rwf=3Dmyrwf2b3lyp<br>%chk=3D2b3lypTrans State 15 anthra.chk<br>%no=
save<br>%mem=3D1500mb<br>#restart<br>#b3lyp/6-31g(d) opt=3D(qst3 calcfc)<br=
><br>0 1<br></div>Partha<br clear=3D"all"><div><br>-- <br><div class=3D"gma=
il_signature"><div dir=3D"ltr"><div><b><i><font style=3D"background-color:r=
gb(255,255,255)" color=3D"#0000ff" size=3D"2">Dr. Partha Sarathi Sengupta<b=
r>Associate Professor<br>Vivekananda Mahavidyalaya, Burdwan</font></i></b><=
/div></div></div>
</div></div>

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