The CP2K project : input section POISSON

Section POISSON

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%MM%POISSON.

Sets up the poisson resolutor. This section can not be repeated and can be optional.

Subsections

Section keywords

Keyword descriptions

POISSON_SOLVER
POISSON_SOLVER char
Specify which kind of solver to use to solve the Poisson equation.
This optional keyword expects a keyword. Default value: PERIODIC
valid keywords: PERIODIC, ANALYTIC, MT, MULTIPOLE, WAVELET
variants: POISSON, PSOLVER
This keyword cites following references: [BLOCHL1995] [Martyna1999] [Genovese2006] [Genovese2007]
PERIODIC
PERIODIC (x|y|z|xy|xz|yz|xyz|none)
Specify the directions on wich apply PBC. 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 optional keyword expects a keyword. Default value: XYZ
valid keywords: X, Y, Z, XY, XZ, YZ, XYZ, NONE


Back to the CP2K homepage or the latest version of this manual