Section ERI_GPW

• Parameters for the GPW approach to electron repulsion integrals.

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / PRINT / ACTIVE_SPACE / ERI_GPW

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • CUTOFF
  • EPS_GRID
  • PRINT_LEVEL
  • REL_CUTOFF
  • STORE_WFN

• Keyword descriptions

  CUTOFF
  	CUTOFF {Real}
  	The cutoff of the finest grid level in the GPW integration.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.00000000E+002

  EPS_GRID
  	EPS_GRID {Real}
  	Determines a threshold for the GPW based integration
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-008

  PRINT_LEVEL
  	PRINT_LEVEL {Keyword}
  	How much output is written by the individual groups.
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: SILENT
  	List of valid keywords: DEBUG Everything is written out, useful for debugging purposes only HIGH Lots of output LOW Little output MEDIUM Quite some output SILENT Almost no output
  	Alias names for this keyword: IOLEVEL

  REL_CUTOFF
  	REL_CUTOFF {Real}
  	Determines the grid at which a Gaussian is mapped.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.00000000E+001
  	Alias names for this keyword: RELATIVE_CUTOFF

  STORE_WFN
  	STORE_WFN {Logical}
  	Strore wavefunction in real space representation for integration.
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .TRUE.
  	Alias names for this keyword: STORE_WAVEFUNCTION