Section ATOMIC

• Controls the calculation and printing of atomic properties

• Section path: CP2K_INPUT / FORCE_EVAL / PROPERTIES / ATOMIC

• This section cannot be repeated and can be optional.

• Subsections

  • PRINT

• Keywords

  • ENERGY
  • PRESSURE

• Keyword descriptions

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