Section BEYN

• Parameters for the Beyn eigenvalue solver.

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / TRANSPORT / BEYN

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • N_POINTS_BEYN
  • N_RAND
  • N_RAND_CC
  • ONE_CIRCLE
  • SVD_CUTOFF
  • TASKS_PER_INTEGRATION_POINT

• Keyword descriptions

  N_POINTS_BEYN
  	N_POINTS_BEYN {Integer}
  	Number of integration points per circle in the Beyn solver.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 32

  N_RAND
  	N_RAND {Real}
  	Number of random vectors as a fraction of the size of the unit cell.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  N_RAND_CC
  	N_RAND_CC {Real}
  	Number of random vectors as a fraction of the size of the unit cell for the complex contour.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  ONE_CIRCLE
  	ONE_CIRCLE {Logical}
  	Set to .TRUE. if only one circle instead of two should be used in the Beyn solver.
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  SVD_CUTOFF
  	SVD_CUTOFF {Real}
  	Cutoff for the singular values in the Beyn solver.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  TASKS_PER_INTEGRATION_POINT
  	TASKS_PER_INTEGRATION_POINT {Integer}
  	Number of tasks per integration point.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0