input_cp2k_print_dft Module Reference

function that build the print section of the dft input More...

Functions/Subroutines
subroutine, public	create_print_dft_section (section)
	Create the print dft section.
subroutine, public	add_dos_keywords (print_key, xas_mode)
	Add projected-DOS related keywords to a DOS or XAS PDOS print section.

Detailed Description

function that build the print section of the dft input

History

10.2005 moved out of input_cp2k [fawzi] 07.2024 moved out of input_cp2k_dft [JGH]

Author

fawzi

Function/Subroutine Documentation

create_print_dft_section()

subroutine, public input_cp2k_print_dft::create_print_dft_section

(

type(section_type), pointer

section

)

Create the print dft section.

Parameters

section

the section to create

Author

teo

Definition at line 187 of file input_cp2k_print_dft.F.

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add_dos_keywords()

subroutine, public input_cp2k_print_dft::add_dos_keywords	(	type(section_type), pointer	print_key,
		logical, intent(in)	xas_mode
	)

Add projected-DOS related keywords to a DOS or XAS PDOS print section.

Parameters

print_key	print key section to add keywords to
xas_mode	if true, add keywords for the XAS-specific standalone PDOS section

Definition at line 2684 of file input_cp2k_print_dft.F.

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