tasks        : Calculation of the electric field gradient (EFG) at the nuclear sites
  0
  115

epspot       : convergence criterion for the Kohn-Sham potential and field, the default value is 1.e-6
  1.e-6      

mixtype      : type of mixing required for the potential, in this case Broyden mixing, J. Phys. A: Math. Gen. 17, L317 (1984)
  3

xctype       : exchange-correlation functional, in this case PBE
  20

trimvg       : the Fourier components of the Kohn-Sham potential for |G| > gmaxvr/2 is set to zero
 .true.

gmaxvr       : maximum length of |G| for expanding the interstitial density and potential
 18.0

rgkmax       : the maximum length for the G + k vectors, defined as gmaxvr divided by the average muffin-tin radius. See isgkmax
  9.0

ngridk       : the k-point mesh sizes
  5 5 6

epsengy : convergence criterion for the total energy in the SCF field (default 0.001)
0.00001

avec         : Lattice vectors of the crystal in atomic units (Bohr).
      8.77251414       0.00000000       0.00000000
      0.00000000       8.77251414       0.00000000
      0.00000000       0.00000000       5.59972959
sppath       : path where the species files can be found
  '/home/hpc/pr85wa/di29cir/opt/elk-2.3.22/species/'

atoms
   2                                  : nspecies
'O.in'                                : spfname
  4                                   : natoms; atpos below
   0.695133   0.695133  -0.000000
   0.304867   0.304867   0.000000
   0.804867   0.195133   0.500000
   0.195133   0.804867   0.500000
'Ti.in'                               : spfname
   2                                  : natoms; atpos below
   0.000000  -0.000000   0.000000
   0.500000   0.500000   0.500000