Section DIRECT_CANONICAL

• Parameters influencing the direct canonical method

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • BIG_SEND

• Keyword descriptions

  BIG_SEND
  	BIG_SEND {Logical}
  	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.