[QE-users] Dipole correction- plot

Paolo Costa paolo.costa85 at gmail.com
Mon Jul 23 19:16:51 CEST 2018


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-quantum-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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