input_cp2k_kpoints.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	input_cp2k_kpoints
	function that build the kpoints section of the input

Functions/Subroutines
subroutine, public	input_cp2k_kpoints::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] INVERSION_SYMMETRY_ONLY [on, off] SYMMETRY_BACKEND [K290, SPGLIB] SYMMETRY_REDUCTION_METHOD [K290, SPGLIB] VERBOSE [on, off] EPS_SYMMETRY value PARALLEL_GROUP_SIZE [-1,0,n].
subroutine, public	input_cp2k_kpoints::create_kpoint_set_section (section, section_name)
	...

Variables
integer, parameter, public	input_cp2k_kpoints::use_real_wfn = 101
integer, parameter, public	input_cp2k_kpoints::use_complex_wfn = 100
integer, parameter, public	input_cp2k_kpoints::use_k290_kpoint_symmetry = 200
integer, parameter, public	input_cp2k_kpoints::use_spglib_kpoint_symmetry = 201
integer, parameter, public	input_cp2k_kpoints::use_k290_kpoint_backend = 300
integer, parameter, public	input_cp2k_kpoints::use_spglib_kpoint_backend = 301