[Pw_forum] Electrostatic Potential Map

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Fri Jan 15 10:28:07 CET 2016

Dear Reza,
I do not know exactly what you mean by electrostatic potential map, but I 
think this is something you can do with pp.x after the pw.x calculation is 
finished. Have a look at PP/Doc/INPUT_PP.html (it takes 10 minutes to read it) 
and you'll have an idea of the quantities you can plot (the total and hartree 
potentials among them) and how you can plot them (i.e. you can plot a plane 
inside the unit cell). Please come back to us if there is any detail you 
cannot understand.

hth, kind regards

On Thursday, January 14, 2016 11:04:47 PM reza vatan wrote:
> Dear all,
> I just wanted to know if the Quantum Espresso has the ability to calculate
> the electrostatic potential map of a structure. If yes how I can visualize
> the resulted output files?
> Thanks in advances.
> Best,
> Reza

Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
23-24/4é16 Boîte courrier 115, 
4 place Jussieu 75252 Paris Cédex 05

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