Thank you, <span style="color: rgb(32, 33, 36); font-family: Roboto, Arial, sans-serif; letter-spacing: 0.25px; text-wrap: nowrap;">Jürg!</span><div><font color="#202124" face="Roboto, Arial, sans-serif"><span style="letter-spacing: 0.25px; text-wrap: nowrap;"><br /></span></font><br /></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Saturday, August 5, 2023 at 10:05:29 AM UTC-4 Jürg Hutter wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hi
<br>
<br>2D Poisson solvers are available. You need to specify PERIODIC XY in the &CELL and &POISSON
<br>sections. Valid options for POISSON_SOLVER are then
<br>
<br>ANALYTIC
<br>MT
<br>WAVELET  (but only for XZ periodic)
<br>
<br>regards
<br>JH
<br>
<br>________________________________________
<br>From: <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>> on behalf of Vyacheslav Bryantsev <<a href data-email-masked rel="nofollow">vyacheslav...@gmail.com</a>>
<br>Sent: Friday, August 4, 2023 8:52 PM
<br>To: cp2k
<br>Subject: [CP2K:19177] 2D Ewald summation in CP2K
<br>
<br>Dear CP2K Developers and Users,
<br>
<br>I am writing to check if the 2D Ewald summation is available in CP2K.
<br>
<br>This would be a preferred methods for a liquid system with ions (or completely ionic melt) that my develop a significant curvature at the liquid-vacuum interface. If this happens, the approach to correct for the surface dipole using SURFACE_DIPOLE_CORRECTION may break down.
<br>
<br>If 2D Ewald in CP2K is available, any example of the input block for running AIMD will be highly appreciated.
<br>
<br>Thank you,
<br>Slava
<br>
<br>Vyacheslav Bryantsev
<br>Oak Ridge National Laboratory
<br>
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<br></blockquote></div>

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