[CP2K-user] [CP2K:22350] WAVELET Poisson solver not implemented for XY periodicity in CP2K 2026.1

mark riddick82 at gmail.com
Wed Jul 29 15:20:17 UTC 2026



Dear CP2K developers and users,

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.

The relevant sections of my input file are:
&POISSON PERIODIC XY 
  POISSON_SOLVER WAVELET 
&END POISSON

and
&SUBSYS 
 &CELL 
 A 19.497000000000 0.000000000000 0.000000000000 
 B -9.748500000000 16.884897297585 0.000000000000 
 C 0.000000000000 0.000000000000 48.982084201000 
 PERIODIC XY 
 &END CELL

However, the calculation stops with the following error:
******************************************************************************* 
* ___ * * / \ * * [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

I am using CP2K version 2026.1.

Is the WAVELET Poisson solver expected to support PERIODIC XY, 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.

I have attached the complete input file for reference.

Thank you very much in advance for your help.

Best regards,
Marco

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