Dear Prof. Paulatto, Thank you for your response. On Fri, Jul 28, 2017 at 4:39 PM, Lorenzo Paulatto < [email protected]> wrote:
> No, this quantity does not exist in plane waves simulations. But you can > use projwfc.x to have one of the many possible definitions. > > Hth > > -- > Lorenzo Paulatto > Written on a virtual keyboard with real fingers > > On 27 Jul 2017 8:23 a.m., "Rajesh" <[email protected]> wrote: > >> Dear users >> How can I access value of charge on individual atoms in a system with >> ionic bond character from the pw.x output files? >> >> >> Thanks. >> Rajesh >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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