Section BETA

• beta spin

• Section path: CP2K_INPUT / FORCE_EVAL / SUBSYS / KIND / BS / BETA

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • L
  • N
  • NEL

• Keyword descriptions

  L
  	L {Integer} ...
  	Angular momentum quantum number of the orbitals of beta spin whose occupation is changed. Active only for unrestricted calculations
  	This keyword cannot be repeated and it expects a list of integers.
  	Default value: -1

  N
  	N {Integer} ...
  	Principal quantum number of the orbitals of beta spin whose occupation is changed. Default is the first not occupied. Active only for unrestricted calculations
  	This keyword cannot be repeated and it expects a list of integers.
  	Default value: 0

  NEL
  	NEL {Integer} ...
  	Orbital ccupation change per angular momentum quantum number. Applied to spin beta and active only in unrestricted calculations.
  	This keyword cannot be repeated and it expects a list of integers.
  	Default value: -1