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Re^4: Orbitals sorting with firefly
alex
yakovenko.alexander@gmail.com
Dear Alex,
It looks like I've realized of how to operate with IORDER (at least density converges reasonably fast, in 100-200 steps and final states looks nice). JORDER+IORDER requires a bit more time to understand but it's rather a matter of trials.
Please don't wast your time on it (if you was going to). And many thanks for the help!!!
Really many thanks, :)
Alex.
On Tue Sep 30 '14 0:14am, Alex Granovsky wrote
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>Dear alex,>I will try to help you. Meanwhile, I have a question to you.
>What is the expected multiplicity of Fe in this fragment?
>Thanks!
>Alex Granovsky
>
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Tue Sep 30 '14 11:29pm
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