Section BLOCK

• Part of the system (donor, acceptor, bridge,...)

• Section path: CP2K_INPUT / FORCE_EVAL / PROPERTIES / ET_COUPLING / PROJECTION / BLOCK

• This section can be repeated.

• Subsections

  • PRINT

• Keywords

  • ATOMS
  • NELECTRON

• Keyword descriptions

  ATOMS
  	ATOMS {Integer} ...
  	Array of atom IDs in the system part
  	This keyword cannot be repeated and it expects a list of integers.

  NELECTRON
  	NELECTRON {Integer}
  	Number of electrons expected in the system part
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0