Control{
    condition = 0       ! {0|1|2|3}|{initial|continuation|fixed_charge|fixed_charge_continuation}
    cpumax = 1 day     ! {sec|min|hour|day}
    max_iteration = 6000
}

accuracy{
    cutoff_wf =  25  rydberg
    cutoff_cd = 230  rydberg
    num_bands = 16
    ksampling{
          method = mesh
      mesh { nx = 6, ny = 6, nz = 4 }
    }
    smearing{
        method = tetrahedral ! {parabolic|tetrahedral}
        width  = 0.001 hartree
    }
    xctype = ldapw91
    scf_convergence{
        delta_total_energy = 1.e-10  hartree
        succession   = 3   !default value = 3
    }

    force_convergence{
        delta_force = 0.1e-3
    }

}

structure{
        unit_cell_type = bravais
        unit_cell{
           a= 5.80638 , b= 5.80638 , c= 9.296014
           alpha=90, beta=90, gamma=120
        }

    symmetry{
             method = automatic
             tspace{ lattice_system = hexagonal }
    }

    atom_list{
         coordinate_system = internal ! {cartesian|internal}
         atoms{
             #tag   rx            ry            rz            element
                     0.3333333333  0.6666666666  0.0000000000  Al
                     0.6666666666  0.3333333333  0.5000000000  Al
                     0.3333333333  0.6666666666  0.3820000000  N
                     0.6666666666  0.3333333333  0.8820000000  N
         }
    }
    element_list{ #units atomic_mass
                      #tag  element  atomicnumber dev           mass
                Al        13          1.825741858   26.981538
                N          7          1.825741858   14.0067
            }
}

Phonon{
   sw_phonon = on
   sw_calc_force = on
   force_calc{
      start = 1, end = -1
   }
   norder = 1
   sw_polynomial_fit = OFF
   displacement = 0.05
   sw_vibrational_modes = on
   sw_lo_to_splitting = off
   electronic_dielectric_constant{
     exx =  0.0, eyy =  0.0, ezz =  0.0, exy = 0.0, eyz = 0.0, ezx = 0.0
   }
   k_vector{ kx = 0.0, ky = 0.0, kz = 0.0 }
   sw_lattice_dielectric_tensor = off
   sw_dielectric_function = off
   energy_range{
      min_energy = 0.0
      max_energy = 0.01
      division_number = 100
   }
   sw_internal_strain_piezoelectric_tensor = off
}

Postprocessing{
        Polarization{
           sw_bp_property = off
           property = effective_charge
        }
}

printlevel{
    base = 1
}
