Control{
    condition = 2      ! {0|1|2|3}|{initial|continuation|fixed_charge|fixed_charge_continuation}
    cpumax = 2 hour     ! {sec|min|hour|day}
    max_iteration = 50000
}

accuracy{
    cutoff_wf =  25  rydberg
    cutoff_cd = 230  rydberg
    num_bands = 8
    ksampling{
          method = monk
      mesh { nx = 6, ny = 6, nz = 4 }
    }
    smearing{
        method = parabolic ! {parabolic|tetrahedral}
        width  = 0.001 hartree
    }
    xctype = ldapw91
    scf_convergence{
        delta_total_energy = 1.e-10  hartree
        succession   = 3   !default value = 3
    }
    ek_convergence{
        delta_eigenvalue = 1.e-8  hartree
    }

}

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

    symmetry{
             tspace{
                lattice_system = hexagonal
                generators{
                  #tag rotation tx ty tz
                        E       0  0  0
                     !   2       0  0  1/2
                     !  19       0  0  1/2           
                }    
             }
         sw_inversion = 0
    }

    atom_list{
         coordinate_system = cartesian ! {cartesian|internal}
         atoms{
              #default pdos = off, mobile = off
             !#tag   rx            ry            rz            element
                     0.000000000    3.352315056    0.000000000  Al    
                     2.903190000    1.676157528    4.648007000  Al    
                     0.000000000    3.352315056    3.551077348  N     
                     2.903190000    1.676157528    8.199084348  N     
         }
             displacement{
                sw_displace_atom = on
                displaced_atom = <ATOM_ID>
                ux =  <Ux>
                uy =  <Uy>
                uz =  <Uz>
             }
    }
    element_list{ !#tag  element  atomicnumber dev
                  Al        13          1.825741858
                  N          7          1.825741858
            }
}

Berry_phase{
  sw_berry_phase = on
  g_index = <G_INDEX>
  mesh{ n1 = <MESH_N1>, n2 = <MESH_N2>, J = <MESH_J> }
}

Postprocessing{
    dos{
        sw_dos = ON
        method = t
    }
}

printlevel{
    base = 1
}
