Control{
    cpumax = 23 hour
    max_iteration = 100000 
    condition = initial
}
accuracy{
    cutoff_wf = 25.00 rydberg
    cutoff_cd = 225.00 rydberg
    num_bands = 30

    ksampling{
        method = monk
        mesh{  
           n1 = 8, n2 =  8, n3 =  8
        }
    }
    smearing{
                method = parabolic ! {parabolic|tetrahedral}
                width  = 0.002 hartree
    }
    scf_convergence{
        delta_total_energy = 1.0E-8 Hartree
        succession = 3
    }
!    initial_wavefunctions = atomic_orbitals 
    initial_charge_density = atomic_charge_density 

    hubbard{
        sw_hubbard = on
        dftu_type = AMF
        projectors{
            #units eV
            #tag no ueff
             1  5.0
        }
    }
    projector_list{
        projectors{
            #tag group l radius
             1  2   2.3
        }
    }
    paw = on
}
structure{
    unit_cell_type = primitive
    unit_cell{
         #units angstrom
  a_vector =   2.91  0.00  0.00
  b_vector =   0.00  2.91  0.00
  c_vector =   0.00  0.00  2.91
    }
    symmetry{
        method = automatic
        tspace{
            lattice_system = primitive
        }
    }
! --
    magnetic_state = ferro
    atom_list{
        coordinate_system = internal ! {internal|cartesian}
        atoms{
            #tag element rx ry rz     proj_group
                 Fe  0.00  0.00  0.00    1
                 Al  0.50  0.50  0.50  
        }
    }
    element_list{
        #tag element atomicnumber moment 
         Fe  26 2.0 
         Al  13 0.0
    }
}
printlevel{
  magmom = 2
  gap = 2
}
