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 / DFT / POISSON / MT

• This section cannot be repeated and can be optional.

• 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 optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.00000000E+00

  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 optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.00000000E+00