Control{
	condition = fixed_charge
	cpumax = 1 hour
	max_iteration = 60000
}

accuracy{
	cutoff_wf =   25.00  rydberg
	cutoff_cd =  225.00  rydberg
	num_bands =  10
	ksampling{
		method = mesh
                mesh{ nx = 10, ny = 10, nz = 10 }
	}
        smearing{
                method = tetrahedral
        }

	ek_convergence{
		num_max_iteration = 300
		sw_eval_eig_diff = on
		delta_eigenvalue = 1.e-5 eV
		succession   = 2
                num_extra_bands = 10
	}

	initial_wavefunctions = matrix_diagon
            matrix_diagon{
               cutoff_wf =  12.25  rydberg
            }
}

structure{
        unit_cell_type = Bravais
        unit_cell{
                 #units angstrom
                 a = 2.845, b = 2.845, c = 2.845
                 alpha = 90, beta = 90, gamma = 90
        }

	symmetry{
	     crystal_structure = bcc
	}

        magnetic_state  = ferro   !{para|af|ferro}

	atom_list{
	     coordinate_system = internal
	     atoms{
		#tag  rx       ry         rz      element
		     0.000     0.000     0.000       Fe
	     }
	}
	element_list{ #tag element  atomicnumber
			      Fe         26
	}
}

wavefunction_solver{
	solvers{
            #tag   sol    till_n
                  mddavidson +2
                  rmm3     -1
       	}

	rmm{
	     edelta_change_to_rmm = 1.0e-3
	}
}


Postprocessing{
	dos{
                method = tetrahedral
		sw_dos = ON
		deltaE = 1.e-4 hartree
		nwd_window_width    = 10
	}
}

printlevel{
	base = 1
}
