not core enough storage

not core enough storage

Postby ss1365 » Tue Nov 11, 2014 1:33 am

Hi dears
I am new in nbo5
i run my calculation in g09 nbo program but the out put file does not contain donor - acceptor data so I use the nbo5 program when i run the .47 file in it, i see this message
(not enough storage is available ))
plz help how could i solve this problem?
Posts: 1
Joined: Tue Nov 11, 2014 1:22 am

Re: not core enough storage

Postby ericg » Tue Nov 11, 2014 10:57 am

I don't recognize the "not enough storage is available" message. The NBO program certainly isn't producing it. Could it be G09, or your operating system?

Also, note that the perturbative analysis (of donor-acceptor interactions) is only printed when NBO is provided a Fock or Kohn-Sham matrix. Thus, you get the analysis for Hartree-Fock and DFT calculations, but not for MP2, CASSCF, CCSD, etc. I suspect that this explains why you see no donor-acceptor interactions.

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