[CPMD-list] singlet and triplet

[cpmd]

Hi,
	I think you should use the  options MULTIPLICITY. Please check
p.31 in the manunal for CPMD 3.5.2. 

Best Regards,

Chan, Siupang

On Wed, 20 Nov 2002, Natasa Mateljevic wrote:

> Hi Juerg,
> when I run the input I sent you, I get a multiplicity singelt and the 
> geometry optimization gradients are really big, if I wnat to do triplet 
> what do I do?
> Thanks,
> Natasa
> 
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