[ase-users] The Dimer method

[Alaithan, Zainab]

Dear ASE-users,

I have a converged neb transition state geometry that I would like to further optimise with the dimer method. I have several questions on this method.

1- I assume it works well with periodic systems ?

2- how to best define the displacement vector for a molecule rather that one atom? Should I include only the atoms involved in the reaction and make the displacement zero for the rest?

3- how is the dimer mask used in conjunction with the displacement vector?

4- am I right to assume that I don't need to parallelise this algorithm?

 I will appreciate any help.

Regards,
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