Section PERIODIC

• Sets up periodic boundary condition parameters if requested

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / TDDFPT / XC / HF / PERIODIC

• This section cannot be repeated.

• This section cites the following references: [Guidon2008] [Guidon2009]

• Subsections

  • none

• Keywords

  • NUMBER_OF_SHELLS

• Keyword descriptions

  NUMBER_OF_SHELLS
  	NUMBER_OF_SHELLS {Integer}
  	Number of shells taken into account for periodicity. By default, cp2k tries to automatically evaluate this number. This algorithm might be to conservative, resulting in some overhead. You can try to adjust this number in order to make a calculation cheaper.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: -1