Section PRINT

• Printing of information during the SCF.

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XAS / SCF / PRINT

• This section cannot be repeated.

• Subsections

  • DAVIDSON
  • DETAILED_ENERGY
  • DIAG_SUB_SCF
  • DIIS_INFO
  • FILTER_MATRIX
  • ITERATION_INFO
  • LANCZOS
  • MO_MAGNITUDE
  • MO_ORTHONORMALITY
  • PROGRAM_RUN_INFO
  • RESTART
  • RESTART_HISTORY
  • TOTAL_DENSITIES

• Keywords

  • DM_RESTART_WRITE

• Keyword descriptions

  DM_RESTART_WRITE
  	DM_RESTART_WRITE {Logical}
  	Write the density matrix into a binary file at the end of the SCF.
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.