Control{
        condition = 2
        cpumax = 2 hour  ! maximum cpu time
        max_iteration = 400001
}

accuracy{
	cutoff_wf =  25.00  rydberg  ! cke_wf
	cutoff_cd = 250.00  rydberg  ! cke_cd
	num_bands = 9
	xctype = ldapw91
      ksampling{
      }
	ek_convergence{
        sw_eval_eig_diff = on
	  delta_eigenvalue = 1.e-8 hartree
	  succession   = 3   !default value = 3
	  num_extra_bands = 0
	}
     initial_wavefunctions = matrix_diagon
}

structure{
	unit_cell{
              a = 10.57637, b = 10.57637,  c = 10.57637 
              alpha = 90, beta = 90, gamma = 90
	}
	symmetry{
          tspace {
            system = f
            generators {
            !#tag rotation tx  ty  tz
		  E         0   0   0
            }
          }
	}

	atom_list{
	     coordinate_system = cartesian ! {cartesian|internal}
	     atoms{
		 #default mobile=no
	 	 #tag  rx        ry        rz         element
		       0.000     0.000     0.000      Ga
		       2.6440925 2.6440925 2.6440925  As
	     }
	     displacement{
              sw_displace_atom = on
	        displaced_atom = <ATOM_ID>
	        ux =  <Ux>
	        uy =  <Uy>
	        uz =  <Uz>
	     }
	}
	element_list{ !#tag id element  atomicnumber dev
			     1      Ga       31      1.5 
			     2      As       33      1.5     }
}

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

printoutlevel{
  base = 1
}
