Thank you again for the assistance. Regards
On Wed, Aug 10, 2016 at 9:20 PM, Mostafa Youssef <[email protected]> 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 > > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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