Documentation for module input_cp2k_kpoints

function that build the kpoints section of the input

source: input_cp2k_kpoints.F
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public Subroutines/Functions:

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:

INTEGER
:: use_complex_wfn = 100
INTEGER
:: use_real_wfn = 101

SUBROUTINEcreate_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]

Arguments:
POINTER
:: section the section to create