Milanovsky
milanovsky@gmail.com
Thank you very much for your help. You are right, after I doubled my MO set, calculations started normally. This way I can set multiple runs automatically, it will help tremendously.
Thanks again,
George
On Tue May 15 '12 4:12pm, Pedro Silva wrote
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>Dear �George Milanovsky George
>
>
>Your VEC group only includes one set of orbitals, but UHF requires the $VEC group to contain TWO sets. You should take your VEC group, copy all its lines and paste them just before the $END tag.
>Good luck!
>Pedro S.