[Pw_forum] How to get average electrostatic potential?

Yue-Wen Fang yuewen.fang at gmail.com
Wed Oct 16 10:52:06 CEST 2013


Dear pwscf users,

I have got electrostatic potential, but I want to average the data to make
the curve more smoothly like FIG11 in this paper
http://prb.aps.org/abstract/PRB/v71/i23/e235317. But I haven't found
correct definition of average electrostatic potential from web of science
up till now. The problem has also troubled me for several days. I put the
data of electric potential alone Z in the attachments. If the data was
plotted, it would to be a curve like many waves, but I want to get a
average one.

Any suggestion is appreciated.
Thank you in advance.
 potential-pw.txt<https://docs.google.com/file/d/0Bw0YC_vb-zl4RV9rSXZqRHNYc00/edit?usp=drive_web>



-- 
------------------------------------------------------------------------------------------------------------
Yue-Wen FANG, PhD candidate
Key Laboratory of Polar Materials and Devices, Ministry of
Education<http://clpm.ecnu.edu.cn/>
East China Normal University  <http://english.ecnu.edu.cn/>
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