The CP2K project : input section STORAGE

Section STORAGE

Index of all sections. This section is located at __ROOT__%MOTION%MD%KG_COEFF%STORAGE.

Specify information on the setup of the effective masses in KG-POL. This section can not be repeated and can be optional.

Subsections

None

Section keywords

Keyword descriptions

TYPE
storage global
method to store the effective masses forKG-POL coefficients
This optional keyword expects a keyword. Default value: GLOBAL
valid keywords:
  • GLOBAL: just one mass for all the coefficents
  • KIND: each atomic kind has its own effective mass
  • ATOM: coefficients of each atom have their own effective mass
  • COEFF: each coefficient has its own effective mass
FILENAME
FILENAME
Specify the filename where the masses are stored
This optional keyword expects a string. Default value: CMASSES


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