Altering perturbation size/step

Phonons, DFPT, electron-phonon, electric-field response, mechanical response…

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rhynasas
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Joined: Thu Dec 04, 2014 7:01 pm

Altering perturbation size/step

Post by rhynasas » Thu Jun 02, 2016 11:46 pm

I want to know if there is a variable which can be used to customize the size of the perturbation in rf calculations.
If it is a fixed size, what is the default size of such perturbations?

My atomic system is a meta-stable structure and if I perturb too much, it could go into a different local minimum.

Thanks in advance.

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