Improved force reversed method
Posted: Sun Jun 03, 2018 10:15 pm
Dear all,
I am increasingly starting to read in recent papers that the "Improved force reversed method" is being used to locate the transition state. For example, some of the recent papers which say they use this method are:
1. https://www.sciencedirect.com/science/a ... 5517306985
2. http://pubs.rsc.org/en/content/articlel ... ivAbstract
They all reference to this paper: http://tc.dicp.ac.cn/paper/63.pdf
Does anybody have any idea on how this is implemented in VASP? Any views on its comparison to the traditional NEB, CI-NEB and the DIMER methods?
Best regards,
MMG016
I am increasingly starting to read in recent papers that the "Improved force reversed method" is being used to locate the transition state. For example, some of the recent papers which say they use this method are:
1. https://www.sciencedirect.com/science/a ... 5517306985
2. http://pubs.rsc.org/en/content/articlel ... ivAbstract
They all reference to this paper: http://tc.dicp.ac.cn/paper/63.pdf
Does anybody have any idea on how this is implemented in VASP? Any views on its comparison to the traditional NEB, CI-NEB and the DIMER methods?
Best regards,
MMG016