[molpro-user] NEVPT2 - arg of npos too large

[Alexander Mitrushchenkov]

Hello,

Can you please post the whole input, I'll take a look at the problem?

Best wishes,

Alexander

Le 26/05/2016 à 09:14, Peter Burger a écrit :
> Dear experts,
>
> I have another question.
>
> NEVPT2 calculations for a single state of a CAS [13,14] active space 
> stop with the message
>
>  "arg of npos too large"
>
> What does this mean - what should/can I do?
>
> I am using the 2015.1 binary.
>
> Many thx in advance
>
> Peter
>
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-- 
Dr. Alexander Mitrushchenkov, IGR
Laboratoire de Modélisation et Simulation Multi Echelle
UMR 8208 CNRS
Université Paris-Est Marne-la-Vallée
5 Bd Descartes
77454 Marne la Vallée, Cedex 2, France

Phone:    +33(0)160957316
Fax:      +33(0)160957320
e-mail:   Alexander.Mitrushchenkov at u-pem.fr

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