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Re^2: firefly ended abnormally in MCSCF run

Mikhail
ryz@ihim.uran.ru


Hi,

input file is attached, it was built on the base of Stuttgart ECP, the same result I obtained using Grenobl ECP with quite different parameters. VEC array was obtained in single configuration UHF calculation with the same MULT and atomic coordinates.

Sincerely,
Mikhail

On Sat Dec 15 '12 1:45pm, Alex Granovsky wrote
----------------------------------------------
>Hi,

>Dear Mikhail,

>could you please send me the exact input file?

>Kind regards,
>Alex Granovsky
>
>
>On Thu Dec 6 '12 3:32pm, Mikhail wrote
>--------------------------------------
>>Hi,

>>at the beginning of MCSCF run (aldet) for U2 dimer I obtained a message that execution terminated abnormally without any notes WHY. Can anybody explain what can be the reason of this result. Output file is attached.

>>Sincerely,
>>ryz

This message contains the 1391 kb attachment
[ input_u ]


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