control{
    condition = initial 
}
accuracy{
    cutoff_wf = 25 Rydberg
    cutoff_cd = 225 Rydberg

    ksampling{
        method = monk 
        mesh{
            nx = 4
            ny = 4 
            nz = 6
        }
        kshift{
             k1 = 0.5, k2 = 0.5, k3 = 0.5
        }
    }
    num_bands = 14
    scf_convergence{
        delta_total_energy = 1.0E-8 Hartree
    }
    force_convergence{
        max_force = 2.0E-5 Hartree/Bohr
    }
    smearing{
           method = parabolic ! {parabolic|tetrahedral}
           width  = 0.05 eV
    }
    paw = on
    initial_wavefunctions = atomic_orbital
    initial_charge_density = atomic_charge

}
structure{
    atom_list{
        coordinate_system = cartesian
        atoms{
            #units angstrom
            #tag element rx ry rz 
 Si     -0.000000000000      0.000000000000      0.000000000000 
 Si      4.104456000000      1.934859000000      0.000000000000 
 Si      1.368152000000      0.000000000000      1.934859000000 
 Si      2.736304000000      1.934859000000      1.934859000000 
        }
    }
    element_list{
        #units atomic_mass
        #tag element atomicnumber mass
                Si       14       28.085
    }
    unit_cell_type = Bravais 
    unit_cell{
            #units angstrom
         a =  5.472608000000 , b = 3.869718000000 , c = 3.869718000000
        alpha = 90,         beta  = 90,         gamma = 90
    }
    symmetry{
        method = automatic
        tspace{
            lattice_system = primitive
        }
    }
}
postprocessing{
  potential_average{
     sw_calc_pot_avg = on
     sw_add_xc_pot = off
     cutoff_radius = 2.5 bohr
 }
}
