How should I find the different saddle poin
Posted: Wed Dec 09, 2015 6:44 am
Dear all:
I use the SSdimer method to find the different concerted mechanism ，and there are some different message in the DIMCAR between the dimer and ssdimer ?
If I want to find the different concerted mechanism, how should I do? Use the same POSCAR and MODECAR ,that is enough? or I need to change the MODECAR in the simulation process?
Use the ssdimer method, In the DIMCAR , some low energy structures are the possible different saddle point. That is right?
I use the SSdimer method to find the different concerted mechanism ，and there are some different message in the DIMCAR between the dimer and ssdimer ?
If I want to find the different concerted mechanism, how should I do? Use the same POSCAR and MODECAR ,that is enough? or I need to change the MODECAR in the simulation process?
Use the ssdimer method, In the DIMCAR , some low energy structures are the possible different saddle point. That is right?