[Pw_forum] vc-relax not converge

[Nkosinathi Malaza]

Thank you again for the assistance.

Regards


On Wed, Aug 10, 2016 at 9:20 PM, Mostafa Youssef <myoussef at mit.edu> wrote:

> I'm not very familiar with ESM model.  But certainly modeling Na+ in water
> (or any insulator) requires tot_charge=+1.  For MD , or relaxation nothing
> else is needed.
>
>
>
> Regards,
> Mostafa
>
>
>
>
>
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