function that build the kpoints section of the input More...

Functions/Subroutines
subroutine, public	create_kpoints_section (section)
	Creates the Kpoints section SECTION: &kpoint... &end SCHEME [None, Gamma, Monkhorst-Pack, MacDonald, General] { nx ny nz } { nx ny nz sx sy sz } KPOINT x1 y1 z1 w1 SYMMETRY [on, off] WAVEFUNCTION [real, complex] FULL_GRID [on, off] VERBOSE [on, off] EPS_GEO value PARALLEL_GROUP_SIZE [-1,0,n]. More...

subroutine, public	create_kpoint_set_section (section, section_name)
	... More...

Variables
integer, parameter, public	use_real_wfn = 101

integer, parameter, public	use_complex_wfn = 100

Detailed Description

function that build the kpoints section of the input

History: init [07.2014]

Author: JGH

Function/Subroutine Documentation

◆ create_kpoints_section()

subroutine, public input_cp2k_kpoints::create_kpoints_section ( type(section_type), pointer section )

Creates the Kpoints section SECTION: &kpoint... &end SCHEME [None, Gamma, Monkhorst-Pack, MacDonald, General] { nx ny nz } { nx ny nz sx sy sz } KPOINT x1 y1 z1 w1 SYMMETRY [on, off] WAVEFUNCTION [real, complex] FULL_GRID [on, off] VERBOSE [on, off] EPS_GEO value PARALLEL_GROUP_SIZE [-1,0,n].

Parameters

section the section to create

Author: JGH

Definition at line 62 of file input_cp2k_kpoints.F.

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◆ create_kpoint_set_section()

subroutine, public input_cp2k_kpoints::create_kpoint_set_section	(	type(section_type), pointer	section,
		character(len=*), optional	section_name
	)

...

Parameters

section	...
section_name	...

Author: JGH

Definition at line 166 of file input_cp2k_kpoints.F.

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Variable Documentation

◆ use_real_wfn

integer, parameter, public input_cp2k_kpoints::use_real_wfn = 101

Definition at line 36 of file input_cp2k_kpoints.F.

◆ use_complex_wfn

integer, parameter, public input_cp2k_kpoints::use_complex_wfn = 100