Section BAND_STRUCTURE

• Specifies the k-points used in band structure calculation.

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / KPOINTS / BAND_STRUCTURE

• This section cannot be repeated.

• Subsections

  • KPOINT_SET

• Keywords

  • ADDED_MOS
  • FILE_NAME

• Keyword descriptions

  ADDED_MOS
  	ADDED_MOS {Integer}
  	Number of MOs/Bands added to the Band Structure calculation.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0
  	Alias names for this keyword: ADDED_BANDS

  FILE_NAME
  	FILE_NAME {Word}
  	File name used for band structure
  	This keyword cannot be repeated and it expects precisely one word.