Section CI_NEB

• Controls parameters for CI-NEB type calculation only.

• Section path: CP2K_INPUT / MOTION / BAND / CI_NEB

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • NSTEPS_IT

• Keyword descriptions

  NSTEPS_IT
  	NSTEPS_IT {Integer}
  	Specify the number of steps of IT-NEB to perform before switching on the CI algorithm
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 5