Control{
	condition = fixed_charge
	cpumax = 1 day             ! {sec|min|hour|day}
  use_additional_projector = on
}

accuracy{
	cutoff_wf =  25.0       rydberg
	cutoff_cd = 225.0       rydberg
	num_bands = 18
	ksampling{
		method = mesh ! {mesh|file|directin|gamma|monk}
		mesh{  nx=10, ny=10, nz=10 }

	}
	smearing{
		method = tetrahedral   ! parabolic ! {parabolic|tetrahedral}
	}
	scf_convergence{
		delta_total_energy = 1.e-12  hartree
		succession   =  3   !default value = 3
	}
	force_convergence{
		max_force = 0.1e-3
	}
	ek_convergence{
		num_extra_bands = 4
		sw_eval_eig_diff = on
		delta_eigenvalue = 1.e-6 rydberg
		succession   =  3
	}

	initial_wavefunctions = matrix_diagon  ! matrix_diagon  !{random_numbers|matrix_diagion}
            matrix_diagon{
               cke_wf =  25.00  rydberg  ! cke_wf
            }
}

structure{
	unit_cell_type = primitive
	unit_cell{
		#units bohr degree
		a_vector =  0.00000000000         3.47046370000          3.47046370000
    b_vector =  3.47046370000         0.00000000000          3.47046370000
		c_vector =  3.47046370000         3.47046370000          0.00000000000
	}
	symmetry{
	     crystal_structure = facecentered_cubic
	     sw_inversion = on
	}

	magnetic_state = para   !{para|af|ferro}
	atom_list{
	     atoms{
		#tag  rx       ry       rz       weight   element    mobile  pdos
                     0.000    0.000     0.000       1        Cu        off      off
	          }
                  }
	element_list{
	 #tag element  atomicnumber
   	        Cu          29
	}
}

structure_evolution{
	method = gdiis  !{quench|gdiis|velocity_verlet|quench_with_constraint}
	dt  = 100.0
	gdiis{
	    gdiis_box_size = 4
	    gdiis_update = RENEW
	    c_forc2gdiis = 0.0050
	    c_iteration2GDIIS = 3
	}
	stress{
	    sw_stress = off
	}
}

epsilon {
        sw_epsilon = on
        crystal_type = single ! {single|poly}
        fermi_energy{
               read_efermi = off
               efermi = 0.000
        }
        photon{
               polar    {ux=1.00, uy=0.00, uz=0.00}
               Poynting {px=0.00, py=0.00, pz=0.00}
               energy   {low=0.000, high=2.000, step=0.004}
        }
        transition_moment{
                type = ks ! {l|rn|ks}
                delq =0.001
                symmetry =on
        }
        mass {
                sw_mass = off
        }
        BZ_integration {
                method = t !{parabolic(p)|gaussian(g)|tetrahedron(t)}
        }
        band_gap_correction{
                scissor_operator=0.0d0
        }
        drude_term {
                drude=on ! {on|off|drude_only}
                effective_mass=1.49d0
                damping_factor=0.003505569d0
                   }
        nonlinear_optics {
                process = off
                   }
        ipriepsilon=2
}

printlevel{
	base = 1
}
