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
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kambiz
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Metastable structures in NEB
Last edited by kambiz on Thu Jun 07, 2012 1:48 am, edited 1 time in total.
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admin
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Metastable structures in NEB
hard to say, probably your choice of the initial and final state is particularly bad.
Last edited by admin on Wed Jul 11, 2012 4:57 pm, edited 1 time in total.