[Pw_forum] Access Charge Value
creativeidleminds at gmail.com
Fri Jul 28 13:23:58 CEST 2017
Dear Prof. Paulatto,
Thank you for your response.
On Fri, Jul 28, 2017 at 4:39 PM, Lorenzo Paulatto <
lorenzo.paulatto at impmc.upmc.fr> 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.
> Lorenzo Paulatto
> Written on a virtual keyboard with real fingers
> On 27 Jul 2017 8:23 a.m., "Rajesh" <creativeidleminds at gmail.com> 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?
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
> Pw_forum mailing list
> Pw_forum at pwscf.org
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