bands.in

&CONTROL
  calculation   = 'bands'
  etot_conv_thr =   1.2000000000d-04
  forc_conv_thr =   1.0000000000d-04
  outdir = '/mnt/home/landerson1/ceph/projects/wannier/co2/quantum_espresso/out'
  prefix = 'CO2'
  pseudo_dir = './pseudo/'
  tprnfor = .true.
  tstress = .true.
  verbosity = 'high'
/
&SYSTEM
  degauss =   1.4699723600d-02
  ecutrho =   4.0000000000d+02
  ecutwfc =   68
  ibrav = 0
  nat = 12
  ntyp = 2
  occupations = 'smearing'
  smearing = 'cold'
  nbnd          = 50
  nosym         = .true.
/
&ELECTRONS
  conv_thr        = 1.0D-8
  diagonalization = 'david'
  electron_maxstep = 80
  mixing_beta =   4.0000000000d-01
/
ATOMIC_SPECIES
C      12.0107 C.pbesol-n-rrkjus_psl.1.0.0.UPF
O      15.9994 O.pbesol-n-rrkjus_psl.1.0.0.UPF

ATOMIC_POSITIONS {crystal}
C            0.0000000000       0.0000000000       0.0000000000 
C            0.5000000000       0.0000000000       0.5000000000 
C            0.5000000000       0.5000000000       0.0000000000 
C            0.0000000000       0.5000000000       0.5000000000 
O            0.1225369800       0.1225369800       0.1225369800 
O            0.8774630200       0.8774630200       0.8774630200 
O            0.3774630200       0.8774630200       0.6225369800 
O            0.6225369800       0.1225369800       0.3774630200 
O            0.6225369800       0.3774630200       0.8774630200 
O            0.3774630200       0.6225369800       0.1225369800 
O            0.8774630200       0.6225369800       0.3774630200 
O            0.1225369800       0.3774630200       0.6225369800 

CELL_PARAMETERS angstrom
      5.4970732800       0.0000000000       0.0000000000
      0.0000000000       5.4970732800       0.0000000000
      0.0000000000       0.0000000000       5.4970732800

K_POINTS {crystal_b}
5
 0.0000000000	0.0000000000	0.0000000000 20 !G
 0.5715027786	0.5715027786	0.0000000000 30 !M
 0.5715027786	0.5715027786	0.5715027786 30 !R
 0.0000000000	0.5715027786	0.0000000000 30 !X
 0.5715027786	0.0000000000	0.0000000000 30 !X1