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

[Peter Burger]

Hello,

here are the input & ouptut files.

Best regards

Peter

Am 26.05.2016 um 11:39 schrieb 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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>
>


-- 
Univ.-Prof. Dr. Peter Burger
Institut fuer Anorganische und Angewandte Chemie
Universitaet Hamburg
Martin-Luther-King-Platz 6
D-20146 Hamburg
Tel.:+49 040 42838 3662
FAX                6097
email: burger at chemie.uni-hamburg.de
http://www.chemie.uni-hamburg.de/ac/burger/index.html

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