Control{
    cpumax = 30 hour
}
accuracy{
    cutoff_wf =  20.0 rydberg
    cutoff_cd =  80.0 rydberg
    num_bands = 5
    ksampling{
        method = gamma
    }
    smearing{
        method = parabolic
        width = 0.001 hartree
    }
    hybrid_functional{
        sw_hybrid_functional = ON
        functional_type = hf
    }
    scf_convergence{
        delta_total_energy = 1.e-8 hartree
        succession = 3
    }
    force_convergence{
        delta_force = 1.0e-03
    }
    initial_wavefunctions = file
    initial_charge_density = file
}
structure{
    unit_cell{
        #units bohr degree
        a = 20
        b = 20
        c = 20
        alpha = 90.0
        beta = 90.0
        gamma = 90.0
    }
    symmetry{
        sw_inversion = off
    }
    magnetic_state = para
    atom_list{
        coordinate_system = cartesian
        atoms{
            #tag element rx ry rz        mobile
                 H       0  0  0.713266741  off
                 H       0  0 -0.713266741  off
        }
    }
    element_list{
        #units atomic_mass
        #tag element atomicnumber mass
             H       1            1.00794
    }
}
wavefunction_solver{
    solvers{
        #tag sol    till_n dts  dte itr cmix submat
             lm+MSD      5 0.1  *   *   2    on
             RMM3       -1 0.1  *   *   3    on
    }
    line_minimization{
        dt_lower_critical = 1.0
        dt_upper_critical = 3.0
    }
    rmm{
        edelta_change_to_rmm = 1.0e-3
    }
}
charge_mixing{
    mixing_methods{
        #tag no method  rmxs rmxe itr prec istr nbmix update
             1 broyden2 0.10 0.70 40  yes  5   15     renew
             2 simple   0.10 0.70 40  yes  *    *     *
             3 simple   0.50 0.50 40  yes  *    *     *
    }
}

Postprocessing{
    dos{
        sw_dos = OFF
    }
}
printoutlevel{
    base = 1
}
