Section 2PNT

• Provides parameters to tune the line search for the two point based line search.

• Section path: CP2K_INPUT / MOTION / SHELL_OPT / CG / LINE_SEARCH / 2PNT

• This section cannot be repeated and can be optional.

• Subsections

  • none

• Keywords

  • MAX_ALLOWED_STEP

• Keyword descriptions

  MAX_ALLOWED_STEP
  	MAX_ALLOWED_STEP {REAL}
  	Max allowed value for the line search step.
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.50000000E-01
  	Default unit: [internal_cp2k]