Section SCREENING_REGION

• Atoms belonging to the given contact adjacent to the scattering region.

• Section path: CP2K_INPUT / NEGF / CONTACT / SCREENING_REGION

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • LIST
  • MOLNAME

• Keyword descriptions

  LIST
  	LIST {Integer} ... or a range {Integer}..{Integer}
  	Specifies a list of atoms.
  	This keyword can be repeated and it expects a list of integers.

  MOLNAME
  	MOLNAME {Word} ...
  	Specifies a list of named molecular fragments.
  	This keyword can be repeated and it expects a list of words.