Section EIP

• This section contains all information to run an Empirical Interatomic Potential (EIP) calculation.

• Section path: CP2K_INPUT / FORCE_EVAL / EIP

• This section cannot be repeated.

• Subsections

  • PRINT

• Keywords

  • EIP_MODEL

• Keyword descriptions

  EIP_MODEL
  	EIP_MODEL {Keyword}
  	Selects the empirical interaction potential model
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: LENOSKY
  	List of valid keywords: BAZANT Bazant potentials EDIP Environment-Dependent Interatomic Potential LENOSKY Lenosky potentials
  	Alias names for this keyword: EIP-MODEL