control{
  condition = initial
  max_iteration = 1000000000
}
accuracy{
  num_bands = 48
  ksampling{
    mesh{
      nx = 2
      ny = 4
      nz = 1
    }
  }
  cutoff_wf = 20 rydberg
  cutoff_cd = 80 rydberg
  initial_wavefunctions = atomic_orbitals
  initial_charge_density = atomic_charge_density
  scf_convergence{
    delta_total_energy = 1e-10 hartree
    succession = 1
  }
  force_convergence{
    max_force = 0.0001 hartree/bohr
  }
}
structure{
    element_list{
        #tag element atomicnumber mass
         Si 14 51196.4212
    }
    atom_list{
        atoms{
            #tag element rx ry rz weight mobile
             Si 0.34138 0.75 0.37105 2 on
             Si 0.632536355 0.75 0.3587226684 2 on
             Si 0.26229 0.25 0.29522 2 on
             Si 0.73763 0.25 0.29519 2 on
             Si 0.00 0.25 0.21632 2 on
             Si 0.50 0.25 0.20432 2 on
             Si 0.00 0.75 0.12903 2 on
             Si 0.50 0.75 0.12284 2 on
             Si 0.25 0.75 0.04301 2 on
             Si 0.75 0.75 0.04301 2 on
        }
    }
    unit_cell{
        #units angstrom
        a_vector = 7.679420223 0.00 0.00
        b_vector = 0.00 3.8397101115 0.00
        c_vector = 0.00 0.00 16.2901924024
    }
    symmetry{
        sw_inversion = on
        method = automatic
    }
}
structure_evolution{
  method = bfgs
  gdiis{
    initial_method = cg
    c_forc2gdiis = 0.01 hartree/bohr
  }
}
