CCL:G: Error in QCISD(T) Calculation



 Sent to CCL by: [eurisco1,+,pochta.ru]
 Dear Bhupesh Kumar Mishra,
 The increase of iteration cycles will help you.
 QCISD(T,MAXCYCLE=256)
 Sincerely,
 Ol Ga
 
-----Исходное сообщение-----
 From: Dr. Bhupesh Kumar Mishra bhupesh_chem++rediffmail.com
 
 Sent: Saturday, August 18, 2012 8:19 PM
 
To: Ga, Ol Subject: CCL:G: Error in QCISD(T) Calculation
 Sent to CCL by: "Dr. Bhupesh Kumar Mishra"
 [bhupesh_chem=rediffmail.com]
 Dear All,
 
I am trying to calculate single point energy (SPE) calculations at QCISD(T)/6-311G(d,p) method using Gaussian 09. But it failed showing following eror:
 Iteration Nr.  50
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=       456
 NAB=   156 NAA=    78 NBB=    66.
 DE(Corr)= -0.66585332     E(CORR)=     -629.08084110     Delta=-4.64D-08
 NORM(A)=   0.11557813D+01
 *************
 *MAX. CYCLES*
 *************
 Dominant configurations:
 ***********************
 Spin Case        I    J    A    B          Value
    AA           15        23            0.127269D+00
    BB           16        24           -0.122052D+00
    BB           18        21            0.158347D+00
    BB           20        21            0.116913D+00
 Largest amplitude= 1.58D-01
 Error termination via Lnk1e in d:\l913.exe at Sat Aug 18 20:48:08 2012.
 Job cpu time:  0 days  0 hours 16 minutes 56.0 seconds.
 
File lengths (MBytes): RWF= 378 Int= 0 D2E= 0 Chk= 1 Scr= 1
 
What does it means? I want to know that whether SPE calculation is possible at QCSDT method or not? If yes, how it is possible? How to increase Max Cycles?
 Any help or suggestion is highly appreciated.
 With best regards
 Bhupesh Kumar Mishra(Ph.D.)
 UGC's Dr. D S Kothari Post-doctoral Fellow
 Theoretical and Computational Chemistry
 Department of Chemical Sciences
 Tezpur University, Tezpur
 ASSAM-784 028
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