Section XC_GRID

• The xc parameters used when calculating the xc on the grid  [Edit]

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / TDDFPT / XC / XC_GRID

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • USE_FINER_GRID
  • XC_DERIV
  • XC_SMOOTH_RHO

• Keyword descriptions

  USE_FINER_GRID
  	USE_FINER_GRID {Logical}
  	Uses a finer grid only to calculate the xc  [Edit]
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  XC_DERIV
  	XC_DERIV {Keyword}
  	The method used to compute the derivatives  [Edit]
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: PW
  	List of valid keywords: COLLOCATE Without description, yet.  [Edit] NN10_SMOOTH Without description, yet.  [Edit] NN4_SMOOTH Without description, yet.  [Edit] NN50_SMOOTH Without description, yet.  [Edit] NN6_SMOOTH Without description, yet.  [Edit] PW Without description, yet.  [Edit] SPLINE2 Without description, yet.  [Edit] SPLINE2_SMOOTH Without description, yet.  [Edit] SPLINE3 Without description, yet.  [Edit] SPLINE3_SMOOTH Without description, yet.  [Edit]

  XC_SMOOTH_RHO
  	XC_SMOOTH_RHO {Keyword}
  	The density smoothing used for the xc calculation  [Edit]
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: NONE
  	List of valid keywords: NN10 Without description, yet.  [Edit] NN4 Without description, yet.  [Edit] NN50 Without description, yet.  [Edit] NN6 Without description, yet.  [Edit] NONE Without description, yet.  [Edit] SPLINE2 Without description, yet.  [Edit] SPLINE3 Without description, yet.  [Edit]