Section MP2

• Parameters influencing MP2 (non-RI).

• Section path: CP2K_INPUT / ATOM / METHOD / XC / WF_CORRELATION / MP2

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • BIG_SEND
  • METHOD

• Keyword descriptions

  SECTION_PARAMETERS
  	&MP2 {Logical}
  	Activates MP2 calculations.
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  BIG_SEND
  	BIG_SEND {Logical}
  	Influencing the direct canonical MP2 method: Send big messages between processes (useful for >48 processors).
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .TRUE.

  METHOD
  	METHOD {Keyword}
  	Method that is used to compute the MP2 energy.
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: DIRECT_CANONICAL
  	List of valid keywords: DIRECT_CANONICAL Use the direct mp2 canonical approach. MP2_GPW Use the GPW approach to MP2. NONE Skip MP2 calculation.
  	This keyword cites the following references: [DelBen2012] [DelBen2013]