Dear Fabian,<div><br /></div><div>thank you for your help</div><div><br /></div><div>Cheers,</div><div><br /></div><div>Marco<br /><br /></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">Il giorno mercoledì 29 luglio 2026 alle 17:38:44 UTC+2 Fabian Ducry ha scritto:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div><div dir="auto">Dear Marco,<br><br>in the 2026.2 version xy periodicity is implemented for the wavelet solver. Alternatively, you can rotate the coordinates and use periodicity xz with version 2026.1<br><br>Cheers,<br>Fabian<br></div></div><div><br><br><div class="gmail_quote"><div dir="auto">On 29 July 2026 17:20:17 CEST, mark <<a href data-email-masked rel="nofollow">ridd...@gmail.com</a>> wrote:</div><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<p>Dear CP2K developers and users,</p><p>I am studying a two-dimensional system consisting of a slab with an adsorbed molecule. For this reason, I would like to use two-dimensional periodic boundary conditions in the (xy) plane together with the WAVELET Poisson solver.</p><p>The relevant sections of my input file are:</p><span dir="ltr"><span dir="ltr">&POISSON
PERIODIC XY </span></span><div><span dir="ltr"><span dir="ltr"> POISSON_SOLVER WAVELET </span></span></div><div><span dir="ltr"><span dir="ltr">&END POISSON</span></span><p>and</p><span dir="ltr"><span dir="ltr">&SUBSYS </span></span></div><div><span dir="ltr"><span dir="ltr"> &CELL </span></span></div><div><span dir="ltr"><span dir="ltr"> A 19.497000000000 0.000000000000 0.000000000000 </span></span></div><div><span dir="ltr"><span dir="ltr"> B -9.748500000000 16.884897297585 0.000000000000 </span></span></div><div><span dir="ltr"><span dir="ltr"> C 0.000000000000 0.000000000000 48.982084201000 </span></span></div><div><span dir="ltr"><span dir="ltr"> PERIODIC XY </span></span></div><div><span dir="ltr"><span dir="ltr"> &END CELL</span></span><p>However, the calculation stops with the following error:</p><span dir="ltr"><span dir="ltr">*******************************************************************************
* ___ *
* / \ *
* [ABORT] *
* \___/ Poisson solver for this periodicity not yet implemented *
* | *
* O/| *
* /| | *
* / \ pw_poisson_read_input.F:160 *
*******************************************************************************
===== Routine Calling Stack =====
5 pw_env_rebuild
4 qs_env_rebuild_pw_env
3 qs_env_setup
2 qs_init_subsys
1 CP2K</span></span><p>I am using CP2K version 2026.1.</p><p>Is the WAVELET Poisson solver expected to support <span dir="ltr">PERIODIC XY</span>, or is it currently limited to other periodicity settings? If this combination is not implemented, what would be the recommended approach for treating a slab with an adsorbed molecule using two-dimensional periodic boundary conditions? I would like to avoid face this problem with XYZ periodicity + dipole correction.</p><p>I have attached the complete input file for reference.</p><p>Thank you very much in advance for your help.</p><p>Best regards,<br>Marco</p></div>
<p></p></blockquote></div></div></blockquote></div>
<p></p>
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