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 >
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