Control{
        cpumax = 3600 sec  ! maximum cpu time
}

accuracy{
	cutoff_wf =   9.00  rydberg
	cutoff_cd =  36.00  rydberg
	num_bands = 8
	xctype = ldapw91
	initial_wavefunctions = matrix_diagon  
        ksampling{
           mesh{  nx = 4, ny =  4, nz =  4   }
        }
}

structure{
        unit_cell_type = primitive
    unit_cell{
       a_vector =  0.0000000000        5.1300000000        5.1300000000
       b_vector =  5.1300000000        0.0000000000        5.1300000000
       c_vector =  5.1300000000        5.1300000000        0.0000000000
    }
    symmetry{
         crystal_structure = diamond
    }

    atom_list{
         atoms{
         #tag  rx       ry         rz     element 
             0.125     0.125     0.125     Si    
            -0.125    -0.125    -0.125     Si    
        }
    }
    element_list{ #tag element  atomicnumber
                          Si        14
    }
}
wavefunction_solver{
	solvers{
     #tag   sol  till_n     dts  dte   itr   var  prec submat cmix
           lm+MSD   +2     0.2  1.0    200  tanh    on  on    1
           rmm3     -1     0.2  1.0    200  tanh    on  on    1
	}

	line_minimization{
	     dt_lower_critical = 0.1
	     dt_upper_critical = 3.0
	}

	rmm{
	     edelta_change_to_rmm = 1.0e-2
	}
        submat{
             before_renewal=on
        }
}

charge_mixing{
	mixing_methods{
	!#tag no   method   rmxs   rmxe   itr  var    prec istr  nbmix  update
	       1  broyden2  0.80   0.80   40     *     on    3    20    RENEW
	}
}
