Section ZMP

• Section used to specify ZMP Potentials.

• Section path: CP2K_INPUT / ATOM / METHOD / ZMP

• This section cannot be repeated.

• Subsections

  • RESTART

• Keywords

  • DM
  • FILE_DENSITY
  • GRID_TOL
  • LAMBDA

• Keyword descriptions

  DM
  	DM {Logical}
  	read external density from density matrix
  	This keyword cannot be repeated and it expects precisely one logical.
  	Default value: .FALSE.

  FILE_DENSITY
  	FILE_DENSITY {Word} ...
  	Specifies the filename containing the target density
  	This keyword cannot be repeated and it expects a list of words.
  	Default value: RHO_O.dat

  GRID_TOL
  	GRID_TOL {Real}
  	Tolerance in the equivalence of read-grid in ZMP method
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-012

  LAMBDA
  	LAMBDA {Real}
  	Parameter used for the constraint in ZMP method
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+001