How should I find the different saddle poin

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dft_imr2
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Joined: Sun Oct 11, 2015 12:31 pm

How should I find the different saddle poin

Post by dft_imr2 »

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?
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