GU: spin-orbit...

[qiang@euch4e.chem.emory.edu]

Hi, Gamess users..

I'm doing some spin orbit calculations with GAMESS. I'm using 
13el./11orb. CAS wf. and 6-311G** basis set. In the spin-orbit run, the 
CI part and spin-orbit integral part took only ~1 hour. But the 
spin-orbit coupling part gives nothing after another 23hour!!! 

So, what is the typical ratio of S-O coupling/CI? Have I reached the 
limit of GAMESS?


Thanks...

______________________________________________________________

Qiang Cui
Dept. of Chem. Emory Univ.         508 Webster Dr. Apt.#2
Atlanta, GA 30322.                 Decatur, GA 30033.
(404)-727-2381                     (404)-636-6149

http://tswww.cc.emory.edu/~qcui
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