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ISPIN filter for doublet states
lello
raffaele.borrelli@unito.it
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?lello
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Wed May 15 '13 5:05pm
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