(git:e7e05ae)
input_cp2k_kpoints.F File Reference

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] VERBOSE [on, off] EPS_GEO value PARALLEL_GROUP_SIZE [-1,0,n]. More...
 
subroutine, public input_cp2k_kpoints::create_kpoint_set_section (section, section_name)
 ... More...
 

Variables

integer, parameter, public input_cp2k_kpoints::use_real_wfn = 101
 
integer, parameter, public input_cp2k_kpoints::use_complex_wfn = 100