Section EMBED

• This section contains all information to run embedded calculations.

• Section path: CP2K_INPUT / FORCE_EVAL / EMBED

• This section cannot be repeated.

• This section cites the following references: [HeatonBurgess2007] [Huang2011]

• Subsections

  • MAPPING
  • PRINT

• Keywords

  • EMBED_METHOD
  • GROUP_PARTITION
  • NGROUPS

• Keyword descriptions

  EMBED_METHOD
  	EMBED_METHOD {Keyword}
  	Select DFET or DMFET.
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: DFET
  	List of valid keywords: DFET DFET DMFET DMFET

  GROUP_PARTITION
  	GROUP_PARTITION {Integer} ...
  	gives the exact number of processors for each group. If not specified processors allocated will be equally distributed for the specified subforce_eval, trying to build a number of groups equal to the number of subforce_eval specified.
  	This keyword cannot be repeated and it expects a list of integers.

  NGROUPS
  	NGROUPS {Integer}
  	Gives the wanted number of groups. Currently must be set to 1
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 1
  	Alias names for this keyword: NGROUP