Control{
        condition=initial
        cpumax = 3600 sec  ! maximum cpu time
}

accuracy{
	cutoff_wf =  20.0  rydberg
	cutoff_cd =  80.0  rydberg
	num_bands = 8
	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
	}
	rmm{
	     edelta_change_to_rmm = 1.0e-2
	}
}

charge_mixing{
	mixing_methods{
	#tag no   method   rmxs
	       1  broyden2  0.40
	}
}
