structure{
    atom_list{
        atoms{
	#default weight = 1
            #tag element rx ry rz
             Si 0.333333333 0.6666666666 0.017470833
             Si -0.333333333 -0.6666666666 -0.017470833
        }
    }
    element_list{
        #tag element atomicnumber mass zeta deviation
         Si 14 51196.4212 0.0 1.83
    }
    unit_cell_type = Bravais 
    unit_cell{
        a = 7.3536079394
        b = 7.3536079394
        c = 22.6767 
        alpha = 90.00 
        beta = 90.00 
        gamma = 120
    }
    symmetry{
	method = automatic
        tspace{
            lattice_system = hexagonal 
        }
    }
}
accuracy{
    ksampling{
	method = file
    }
    cutoff_wf = 20.25 Rydberg
    cutoff_cd = 81.00 Rydberg
    xctype = ggapbe 
    num_bands = 12
    initial_charge_density = file
    ek_convergence{
        num_max_iteration = 500 
        sw_eval_eig_diff = on 
        delta_eigenvalue = 1.e-5 
        succession = 2 
        num_extra_bands = 2 
    }
}
control{
    cpumax = 6 hour
    max_iteration = 100000 
    condition = fixed_charge
}
printoutlevel{
    base = 1 
}
wavefunction_solver{
    solvers{
        #tag sol till_n dts dte itr var prec cmix submat
         lm+msd -1 * * * tanh on 1 on
    }
}
charge_mixing{
    mixing_methods{
        #tag no method rmxs rmxe itr var prec istr nbmix update
         1 broyden2 0.30 0.30 500 linear on 3 5 RENEW
    }
}
structure_evolution{
    method = cg 
}
postprocessing{
	sw_band_symmetry_analysis = ON
}
