Section ALPHA

• alpha spin

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

• This section cannot be repeated and cannot be optional.

• Subsections

  • none

• Keywords

  • L
  • N
  • NEL

• Keyword descriptions

  L
  	L 2
  	Angular momentum quantum number of theorbitals whose occupation is changed
  	This required keyword cannot be repeated and it expects a list of integers.
  	Default value: -1
  	Alias names for this keyword: L

  N
  	N 2
  	Principal quantum number of theorbitals whose occupation is changed. Default is the first not occupied
  	This optional keyword cannot be repeated and it expects a list of integers.
  	Default value: 0
  	Alias names for this keyword: N

  NEL
  	NEL 2
  	Orbital ccupation change per angular momentum quantum number.In unrestricted calculations applied to spin alpha.
  	This required keyword cannot be repeated and it expects a list of integers.
  	Default value: -1