Section STORAGE

• Specify information on the setup of the effective masses in KG-POL

• Section path: CP2K_INPUT / MOTION / MD / KG_COEFF / STORAGE

• This section cannot be repeated and can be optional.

• Subsections

  • none

• Keywords

  • FILENAME
  • TYPE

• Keyword descriptions

  FILENAME
  	FILENAME <CHARACTER>
  	Specify the filename where the masses are stored
  	This optional keyword cannot be repeated and it expects precisely one string.
  	Default value: CMASSES

  TYPE
  	STORAGE GLOBAL
  	method to store the effective masses forKG-POL coefficients
  	This optional keyword cannot be repeated and it expects precisely one keyword.
  	Default value: GLOBAL
  	List of valid keywords: ATOM coefficients of each atom have their own effective mass COEFF each coefficient has its own effective mass GLOBAL just one mass for all the coefficents KIND each atomic kind has its own effective mass