[QE-users] Dipole correction- plot

[Manjusha Chugh]

Hello Paolo

The second column in the .dat file corresponds to the average potential
along xy-plane. You can plot the first and second column of the .dat file
as x and y coordinates in gnuplot or in xmgrace, and you will get a graph
similar to as shown in the link.
Hope this helps.
Regards

Dr. Manjusha Chugh
Postdoctoral Researcher
Dynamics of Condensed Matter
Department of Chemistry
University of Paderborn,
Paderborn, Germany


On Mon, Jul 23, 2018 at 7:16 PM, Paolo Costa <paolo.costa85 at gmail.com>
wrote:

>
> Dear all,
>
> I am a beginner user of QuantumEspresso.
> I am trying to repeat the calculation of dipole correction found in the
> following link:
> https://christoph-wolf.at/2018/05/02/dipole-correction-in-qu
> antum-espresso/
>
> I could successfully (I guess so..) perform pw.x, pp.x and average.x calc.
> However, I do know how to plot the results to obtain similar graph of the
> above link.
> From average.x I got .dat file with three columns. Do I have to plot it as
> first as x coordinate and the two columns as y coordinate?
> Please, can somebody explain me how to do it?
>
> --
> Paolo Costa, Ph.D.
> Postdoctoral Researcher
> Department of Chemistry and Biomolecular Sciences
> University of Ottawa
> 10 Marie Curie, Ottawa, ON K1N 6N5, Canada
> Room number: DRO 326 (D'Iorio Hall)
>
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> users at lists.quantum-espresso.org
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>
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