Section MT

• Sets up parameters of Martyna-Tuckerman poisson solver. Note that exact results are only guaranteed if the unit cell is twice as large as charge density (and serious artefacts can result if the cell is much smaller).

• Section path: CP2K_INPUT / FORCE_EVAL / QMMM / PERIODIC / POISSON / MT

• This section cannot be repeated.

• This section cites the following reference: [Martyna1999]

• Subsections

  • none

• Keywords

  • ALPHA
  • REL_CUTOFF

• Keyword descriptions

  ALPHA
  	ALPHA {Real}
  	Convergence parameter ALPHA*RMIN. Default value 7.0
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.00000000E+000

  REL_CUTOFF
  	REL_CUTOFF {Real}
  	Specify the multiplicative factor for the CUTOFF keyword in MULTI_GRID section. The result gives the cutoff at which the 1/r non-periodic FFT3D is evaluated.Default is 2.0
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.00000000E+000