[molpro-user] DF-DFT-SAPT

[Dr. Brijesh Kumar Mishra]

Dear All,

I have been trying to run DF-DFT-SAPT calculations for a complex having ~28
atoms. The job runs for a couple of hours and gives following error:

Induction A->B
 --------------
 E2ind[A->B](unc) =            -0.01136590     ( -0.11365905E-01)
 E2ind[A->B] =                 -0.01041772     ( -0.10417716E-01)

 E2ind
 -----
 E2ind =                       -0.02277831

 CPU time for E2ind:           23.98 sec
 E2exch-disp
 ----------- CPU time for terms 1-5:      379.29 sec
 ERROR EXIT
 CURRENT STACK:      MAIN


Any help will be highly appreciated.

Thanks
Best regards

-- 
Brijesh Kumar Mishra
IIIT-Bangalore, India
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