Metastable structures in NEB
Posted: Thu Jun 07, 2012 1:48 am
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
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