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Dear Antonio,
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<div class="">Thanks for reporting this issue and for trying Environ for your simulations. I am afraid the documentation of Environ needs to be improved on the point that you report, as this is not the first time I see this question. </div>
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<div class="">Environ is not coupled with the PP code. If PP is used to plot quantities that do not depend on the environment, such as the wavefunction, the density, etc., it should work fine. However, you cannot use PP to plot quantities that depend on the
environment, namely the electrostatic potential. For this purpose, you can turn on the verbosity of Environ using the verbose keyword. If you set verbose = 2 (or higher) you should get some .cube files that you can use to visualize properties of the simulation
cell, in particular the electrostatic potential. Cubefiles are read by many programs and can be processed relatively easily with scripts.</div>
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<div class="">Don’t hesitate to let me know if you have any problem with running Environ. You may also consider joining the google group created to support Environ users, there are not too many discussions right now, but it would be nice to build a collection
of known problems, solutions and suggestions. <a href="https://groups.google.com/forum/?hl=en#!forum/quantum-environ-users" class="">quantum-environ-users</a> (<a href="https://groups.google.com/forum/?hl=en#!forum/quantum-environ-users" class="">https://groups.google.com/forum/?hl=en#!forum/quantum-environ-users</a>)</div>
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<div class="">Best,</div>
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<div class="">Oliviero</div>
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Oliviero Andreussi<br class="">
--<br class="">
Assistant Professor<br class="">
Department of Physics<br class="">
University of North Texas<br class="">
<a href="mailto:oliviero.andreussi@unt.edu" class="">Email: oliviero.andreussi@unt.edu</a> </div>
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Phone: +1-(940)-369-5316<br class="">
Skype: olivieroandreussi<br class="">
Web: <a href="https://www.materialab.org" class="">https://www.materialab.org</a></div>
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<blockquote type="cite" class="">
<div class="">On Jul 21, 2020, at 8:42 AM, Antonio Crepaldi <<a href="mailto:antonio.crepaldi.lanza@gmail.com" class="">antonio.crepaldi.lanza@gmail.com</a>> wrote:</div>
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<div dir="ltr" class="">Dear QE users and developers,
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<div class="">I'm currently trying to simulate a charged 2D slab embedded in water. I'm using two planar countercharges as explained in Example 5 of Environ. The computation does not have any convergence problem, however, when I plot the total electrostatic
potential (plot_num=11 in pp.x) I do not get a flat potential in the vacuum region screened by the countercharges. I would expect to find a flat potential in that region and be able to use it as a reference for further calculations.</div>
<div class="">Here is my environ input</div>
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<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;border-left-color:rgb(204,204,204);padding-left:1ex">
&ENVIRON<br class="">
verbose = 0<br class="">
environ_thr = 1.d0<br class="">
environ_type = 'input'<br class="">
env_electrostatic = .true.<br class="">
env_static_permittivity = 80<br class="">
env_surface_tension = 0.D0<br class="">
env_pressure = 0.D0<br class="">
env_external_charges = 2<br class="">
/<br class="">
&BOUNDARY<br class="">
solvent_mode = 'full'<br class="">
/<br class="">
&ELECTROSTATIC<br class="">
pbc_correction = 'parabolic'<br class="">
pbc_dim = 2<br class="">
pbc_axis = 3<br class="">
tol = 5.D-13<br class="">
!inner_tol = 5.D-18<br class="">
/<br class="">
EXTERNAL_CHARGES (bohr)<br class="">
2. 0.0 0.0 -14.29 1.0 2 3<br class="">
2. 0.0 0.0 14.29 1.0 2 3</blockquote>
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<div class=""> Thank you very much for your help.</div>
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<div class="">Best,</div>
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<div class="">Antonio Crepaldi-Lanza</div>
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</div>
<div class="">--</div>
<div class="">Department of Physics "Aldo Moro"</div>
<div class="">University of Bari</div>
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