[Pw_forum] automatic k-point list

[Ryky Nelson]

Hello QE users,

I'm trying to understand how the automatic k-points setup is constructed in
my carbon-nanotube calculation. I use the scf.in setup as I put below. The
point I want to ask is the number of k-points used in the calculation.
Since I used nosym_evc = .TRUE., noinv = .TRUE., I was expecting that pw.x
would automatically generate 9 k-points, but instead I have got 25 k-points
listed in data-file.xml. Could anyone tell me why it generates k-points
more than the ones I setup?

Thank you!

 &control
    calculation = 'scf', restart_mode='from_scratch', prefix='cnt',
pseudo_dir = '/.', outdir='./'
     wf_collect = .true.
 /
 &system
    ibrav = 1, celldm(1) = 15.0, nat = 32, ntyp = 1, ecutwfc = 40,
    nbnd = 68, occupations = 'smearing', degauss = 0.03, smearing = 'cold'
    nosym_evc = .TRUE., noinv = .TRUE.
 /
 &electrons
    mixing_beta = 0.7, conv_thr =  1.0d-8, electron_maxstep = 200
 /
ATOMIC_SPECIES
 C 12.011 C.pbesol-n-kjpaw_psl.0.1.UPF
ATOMIC_POSITIONS {crystal}
C 0.6484 0.3516 0
C 0.7099 0.5 0
C 0.5 0.2901 0
C 0.3516 0.3516 0
C 0.5 0.7099 0
C 0.6484 0.6484 0
C 0.2901 0.5 0
C 0.3516 0.6484 0
C 0.5 0.7099 0.3328
C 0.6484 0.6484 0.3328
C 0.7099 0.5 0.3328
C 0.6484 0.3516 0.3328
C 0.3516 0.6484 0.3328
C 0.5 0.2901 0.3328
C 0.3516 0.3516 0.3328
C 0.2901 0.5 0.3328
C 0.3061 0.5803 0.5
C 0.5803 0.6939 0.5
C 0.4197 0.6939 0.5
C 0.3061 0.4197 0.5
C 0.6939 0.4197 0.5
C 0.5803 0.3061 0.5
C 0.6939 0.5803 0.5
C 0.4197 0.3061 0.5
C 0.3061 0.5803 0.8328
C 0.4197 0.3061 0.8328
C 0.5803 0.3061 0.8328
C 0.5803 0.6939 0.8328
C 0.4197 0.6939 0.8328
C 0.6939 0.5803 0.8328
C 0.6939 0.4197 0.8328
C 0.3061 0.4197 0.8328
K_POINTS {automatic}
 1 1 9 0 0 0

Ryky Nelson
Institut für Anorganische Chemie
RWTH Aachen University
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