Section PDOS

• Print out the DOS projected per kind and per angular momentum

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / PRINT / PDOS

• This section cannot be repeated.

• Subsections

  • EACH
  • LDOS
  • R_LDOS

• Keywords

  • SECTION_PARAMETERS
  • ADD_LAST
  • APPEND
  • COMMON_ITERATION_LEVELS
  • COMPONENTS
  • FILENAME
  • LOG_PRINT_KEY
  • NLUMO
  • OUT_EACH_MO

• Keyword descriptions

  SECTION_PARAMETERS
  	&PDOS {Keyword}
  	Level starting at which this property is printed
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: DEBUG
  	List of valid keywords: DEBUG Without description, yet. HIGH Without description, yet. LOW Without description, yet. MEDIUM Without description, yet. OFF Without description, yet. ON Without description, yet. SILENT Without description, yet.

  ADD_LAST
  	ADD_LAST {Keyword}
  	If the last iteration should be added, and if it should be marked symbolically (with lowercase letter l) or with the iteration number. Not every iteration level is able to identify the last iteration early enough to be able to output. When this keyword is activated all iteration levels are checked for the last iteration step.
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: NO
  	List of valid keywords: NO Do not mark last iteration specifically NUMERIC Mark last iteration with its iteration number SYMBOLIC Mark last iteration with lowercase letter l

  APPEND
  	APPEND {Logical}
  	Append the pdos obtained at different iterations to the pdos output file.By defaut the file is overwritten
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  COMMON_ITERATION_LEVELS
  	COMMON_ITERATION_LEVELS {Integer}
  	How many iterations levels should be written in the same file (no extra information about the actual iteration level is written to the file)
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 1

  COMPONENTS
  	COMPONENTS {Logical}
  	Print out pdos distinguishing all angular momentum components.
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  FILENAME
  	FILENAME {String}
  	controls part of the filename for output. use __STD_OUT__ (exactly as written here) for the screen or standard logger. use filename to obtain projectname-filename. use ./filename to get filename. A middle name (if present), iteration numbers and extension are always added to the filename. if you want to avoid it use =filename, in this case the filename is always exactly as typed. Please note that this can lead to clashes of filenames.
  	This keyword cannot be repeated and it expects precisely one string.

  LOG_PRINT_KEY
  	LOG_PRINT_KEY {Logical}
  	This keywords enables the logger for the print_key (a message is printed on screen everytime data, controlled by this print_key, are written)
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  NLUMO
  	NLUMO {Integer}
  	Number of virtual orbitals to be added to the MO set (-1=all). CAUTION: Setting this value to be higher than the number of states present may cause a Cholesky error.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0

  OUT_EACH_MO
  	OUT_EACH_MO {Integer}
  	Output on the status of the calculation every OUT_EACH_MO states. If -1 no output
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: -1