Section INTERPOLATOR

• controls the interpolation for the G-space term

• Section path: CP2K_INPUT / FORCE_EVAL / QMMM / PERIODIC / INTERPOLATOR

• This section cannot be repeated and can be optional.

• Subsections

  • CONV_INFO

• Keywords

  • AINT_PRECOND
  • EPS_R
  • EPS_X
  • MAX_ITER
  • PRECOND

• Keyword descriptions

  AINT_PRECOND
  	KIND SPLINE3
  	the approximate inverse to use to get the starting point for the linear solver of the spline3 methods
  	This optional keyword cannot be repeated and it expects precisely one keyword.
  	Default value: SPL3_NOPBC_AINT1
  	List of valid keywords: COPY SPL3_NOPBC_AINT1 SPL3_NOPBC_AINT2 SPL3_NOPBC_PRECOND1 SPL3_NOPBC_PRECOND2 SPL3_NOPBC_PRECOND3

  EPS_R
  	EPS_R 1.E-15
  	accuracy on the residual for spline3 the interpolators
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-10

  EPS_X
  	EPS_X 1.E-15
  	accuracy on the solution for spline3 the interpolators
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-10

  MAX_ITER
  	MAX_ITER 200
  	the maximum number of iterations
  	This optional keyword cannot be repeated and it expects precisely one integer.
  	Default value: 100
  	Alias names for this keyword: MAXITER

  PRECOND
  	KIND SPLINE3
  	The preconditioner used for the linear solver of the spline3 methods
  	This optional keyword cannot be repeated and it expects precisely one keyword.
  	Default value: SPL3_NOPBC_PRECOND3
  	List of valid keywords: COPY SPL3_NOPBC_AINT1 SPL3_NOPBC_AINT2 SPL3_NOPBC_PRECOND1 SPL3_NOPBC_PRECOND2 SPL3_NOPBC_PRECOND3