Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone

Re^2: firefly ended abnormally in MCSCF run



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.


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

>Dear Mikhail,

>could you please send me the exact input file?

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

>>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.


This message contains the 1391 kb attachment
[ input_u ]

[ Previous ] [ Next ] [ Index ]           Sun Dec 16 '12 4:22pm
[ Reply ] [ Edit ] [ Delete ]           This message read 703 times