Unreasonable Norm in direct CCSD calculation

[Anthony P. Scott]

Hello Molpro-Users,

I am attempting a 380bf C1 CCSD/avqz SP.  I don't have enough disk 
space for a conventional run so I have attempted to use the integral 
direct code in Molpro2000.1.

The SCF runs as expected but the CCSD stops with:


  ITER.       NORM       CORR.ENERGY   TOTAL ENERGY   ENERGY CHANGE        DEN1
     VAR(S)    VAR(P)  DIIS     TIME
    1      1.21231612    -0.79682143  -227.39947808     0.02337258 
-0.02968085
   0.10D-01  0.56D-02  0  0 20369.79
    2     22.96434217    -0.82003054  -227.42268720    -0.02320911 
-1086.37070545
   0.22D-03  0.22D+02  0  0 40445.27

  UNREASONABLE NORM. CALCULATION STOPPED

Does anyone have general suggestions on how this problem can be avoided.

Thanks in anticipation,

Tony Scott
______________________________________________________________________________
Dr. Anthony P. Scott,
Computational Quantum Chemistry Group,   Office Ph.: 61-2-6249-3573
Research School of Chemistry,                    Dept. Ph.:  61-2-6249-3637
Australian National University,                   Fax:        61-2-6249-0750
Canberra, ACT 0200,                                 E-mail: 
Anthony.Scott at anu.edu.au
AUSTRALIA.
______________________________________________________________________________