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ISPIN filter for doublet states


Hi all,
I have read on the forum that it is possible to improve the convergence of SA-MCSCF using ISPIN keyword to generate a better selection of initial states (for ALDET method).
ISPIN=0 filters all odd spin numbers  and ISPIN=1
filters all even spin numbers.
What about doublet states? Is is possible to improve the initial
guess for doublets?


[ Previous ] [ Next ] [ Index ]           Wed May 15 '13 5:05pm
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