[molpro-user] Error in molpro

[Klaus Doll]

Dear Mohamad,
could you try to change the value of F3EXTSIZE with a command such as
dfit,F3EXTSIZE=1000;
best wishes,
Klaus


On 01/13/2017 12:34 PM, S. M. wrote:
>
>
>
> <http://www.ifpenergiesnouvelles.fr/>
> Hello,
>
> I am running LCCSD for UO2(NO3)2(TBP)2
>
> and I am having this error:
>
> File limit (100.0 GB) exceeded. Switching to CFIT_D4EXT=1
>
>
> Can anyone help?
> In the attached files, you can find the test file5input file and the 
> basis file)
>
> Cordially
>
> Mohamad
>
>
>
>
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