Section ATOMIC

• Controls the calculation of atomic properties. Printing is controled by FORCE_EVAL / PRINT / PROGRAM_RUN_INFO  [Edit]

• Section path: CP2K_INPUT / FORCE_EVAL / PROPERTIES / ATOMIC

• This section cannot be repeated.

• This section cites the following reference: [Kikuchi2009]

• Subsections

  • none

• Keywords

  • ENERGY
  • PRESSURE

• Keyword descriptions

  ENERGY
  	ENERGY {Logical}
  	Calculate atomic energies  [Edit]
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  PRESSURE
  	PRESSURE {Logical}
  	Calculate atomic pressure tensors  [Edit]
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.