[Pw_forum] Interpretation of NEB output (Prasenjit Ghosh)

Prasenjit Ghosh prasenjit.jnc at gmail.com
Fri Apr 8 07:38:45 CEST 2011

On 8 April 2011 10:24, <psavita at crlindia.com> wrote:

> Dear Prasenjit,
> Thank for your clarification.
> Then I have more questions:
> Are those the perpendicular components of the string force or the true
> force?

It is the total force....PE + spring

> Do the values signify convergence?
Yes, the default value is 0.05 eV/A. When the force on each image is less
than the default value, the calculation is said to be converged.


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