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Metastable structures in NEB

Posted: Thu Jun 07, 2012 1:48 am
by kambiz
Hi,

I ve found that for one of my NEB calculation problems , all images are metastable (they have a lower energy than the first and final states). I d really appreciate if anyone can help me about this

Cheers

Metastable structures in NEB

Posted: Wed Jul 11, 2012 4:57 pm
by admin
hard to say, probably your choice of the initial and final state is particularly bad.