Section POISSON

• Sets up the poisson resolutor.

• Section path: CP2K_INPUT / FORCE_EVAL / MM / POISSON

• This section cannot be repeated.

• Subsections

  • EWALD
  • IMPLICIT
  • MT
  • MULTIPOLE
  • WAVELET

• Keywords

  • PERIODIC
  • POISSON_SOLVER

• Keyword descriptions

  PERIODIC
  	PERIODIC {Keyword}
  	Specify the directions in which PBC apply. Important notice, this only applies to the electrostatics. See the CELL section to specify the periodicity used for e.g. the pair lists. Typically the settings should be the same.
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: XYZ
  	List of valid keywords: NONE Without description, yet. X Without description, yet. XY Without description, yet. XYZ Without description, yet. XZ Without description, yet. Y Without description, yet. YZ Without description, yet. Z Without description, yet.

  POISSON_SOLVER
  	POISSON_SOLVER {Keyword}
  	Specify which kind of solver to use to solve the Poisson equation.
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: PERIODIC
  	List of valid keywords: ANALYTIC ANALYTIC is available for 0D, 1D and 2D periodic solutions using analytical green functions in the g space (slow convergence). IMPLICIT IMPLICIT allows for 0D, 1D, 2D and 3D systems. MT MT (Martyna Tuckermann) decoupling that interacts only with the nearest neighbor. Beware results are completely wrong if the cell is smaller than twice the cluster size (with electronic density). Available for 0D and 2D systems. MULTIPOLE MULTIPOLE uses a scheme that fits the total charge with one gaussian per atom. Available only for cluster (0D) systems. PERIODIC PERIODIC is only available for fully (3D) periodic systems. WAVELET WAVELET allows for 0D, 2D (but only PERIODIC XZ) and 3D systems. It does not require very large unit cells, only that the density goes to zero on the faces of the cell. The use of PREFERRED_FFT_LIBRARY FFTSG is required.
  	Alias names for this keyword: POISSON, PSOLVER
  	This keyword cites the following references: [BLOCHL1995] [Genovese2006] [Genovese2007] [Martyna1999]