control{
    condition = initial
}
accuracy{
    cutoff_wf = 25.0 Rydberg
    cutoff_cd = 100.0 Rydberg

    ksampling{
        method = monk ! {mesh|file|directin|gamma}
        mesh{
            nx = 12, ny = 12, nz = 12
        }
    }
    scf_convergence{
        delta_total_energy = 1.0E-8 Hartree
        succession = 3
    }
   force_convergence{
        max_force = 2.0E-4 Hartree/Bohr
    }

    num_bands = 20

!    initial_wavefunctions = atomic_orbital
    initial_charge_density = atomic_charge_density

     smearing{
               method = parabolic
               width  = 0.002 hartree
        }

      xctype = pbesol
}
structure{
    unit_cell_type = bravais
    unit_cell{
       #units angstrom
         a = 5.65, b = 5.65, c = 5.65
         alpha = 90, beta = 90, gamma = 90
    }
    symmetry{
         method = automatic
         tspace{
             lattice_system = facecentered
         }
    }
    atom_list{
         atoms{
         #tag  rx   ry  rz     element
               0.00  0.00  0.00     Al
               0.25  0.25  0.25     As
        }
    }
    element_list{ #tag element  atomicnumber
                          Al        13
                          As        33
    }
}
Charge_mixing{
!    sw_mix_charge_with_ekindens = on
     mixing_methods{
        #tag no   method   rmxs
              1  pulay  0.40
     }
}
structure_evolution{
  stress { sw_stress_correction = on }
  lattice{
    sw_optimize_lattice = on
  }
}
postprocessing{
   dos{
       sw_dos = on
   }
}
