Section POTENTIAL

• Section of information on potential.

• Section path: CP2K_INPUT / ATOM / POTENTIAL

• This section cannot be repeated and can be optional.

• Subsections

  • GTH_POTENTIAL

• Keywords

  • CONFINEMENT
  • POTENTIAL_FILE_NAME
  • POTENTIAL_NAME
  • PSEUDO_TYPE

• Keyword descriptions

  CONFINEMENT
  	CONFINEMENT PREFACTOR RANGE EXPONENT
  	Definition of confinement potential
  	This optional keyword cannot be repeated and it expects a list of reals.
  	Default value: 0.00000000E+00 4.00000000E+00 2.00000000E+00

  POTENTIAL_FILE_NAME
  	POTENTIAL_FILE_NAME <FILENAME>
  	Name of the pseudo potential file, may include a path
  	This optional keyword cannot be repeated and it expects precisely one string.
  	Default value: POTENTIAL

  POTENTIAL_NAME
  	POTENTIAL_NAME <PSEUDO-POTENTIAL-NAME>
  	The name of the pseudopotential for the defined kind.
  	This optional keyword cannot be repeated and it expects precisely one word.
  	Alias names for this keyword: POT_NAME

  PSEUDO_TYPE
  	PSEUDO_TYPE GTH
  	Pseudopotential type
  	This optional keyword cannot be repeated and it expects precisely one keyword.
  	Default value: NONE
  	List of valid keywords: GTH NONE