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Re^3: Conical interestion

Abhineet Agarwal
agarwal.abhi93@gmail.com


Hi,
The output file is attached.

Regards,
Abhineet Agarwal.


On Sat Apr 11 '15 1:16pm, Abhineet Agarwal wrote
------------------------------------------------
>Hi,
>The input is attached.

>Regards,
>Abhineet Agarwal.

>On Fri Apr 10 '15 11:55pm, Alex Granovsky wrote
>-----------------------------------------------
>>Hi,

>>could you please provide your input and output files?
>>
>>
>>Kind regards,
>>Alex Granovsky
>>
>>
>>
>>On Mon Apr 6 '15 8:56am, Abhineet Agarwal wrote
>>-----------------------------------------------
>>>Hi,
>>>I was searching for a conical intersection between the ground and the first excited state using a three state averaged theory. But I was being given a severe error, the singular angular variable error. Could any one tell me why this error shows up ?

This message contains the 4361 kb attachment
[ output-conic_1.log ]


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