Section RI_MP2

• Parameters influencing the RI MP2 method

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XC / WF_CORRELATION / RI_MP2

• This section cannot be repeated and can be optional.

• Subsections

  • none

• Keywords

  • BLOCK_SIZE

• Keyword descriptions

  BLOCK_SIZE
  	BLOCK_SIZE 2
  	Determines the blocking used for communication in RI-MP2. Larger BLOCK_SIZE reduces communication but requires more memory. The default (-1) is automatic.
  	This optional keyword cannot be repeated and it expects precisely one integer.
  	Default value: -1
  	Alias names for this keyword: MESSAGE_SIZE