Control{
    condition = initial        !      {0|1|2|3}|{initial|continuation|fixed_charge|fixed_charge_continuation}
    cpumax = 1 day             ! {sec|min|hour|day}
}

accuracy{
    cutoff_wf =  25.0       rydberg
    cutoff_cd = 225.0       rydberg
    num_bands = 10
    ksampling{
        mesh{  nx = 10, ny =  10, nz =  10   }

    }
    scf_convergence{
        delta_total_energy = 1.e-10  hartree
    }
    initial_wavefunctions = atomic_orbitals
    initial_charge_density = atomic_charge_density

}

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 = fcc
         sw_inversion = on
    }

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

wavefunction_solver{
    solvers{
          #tag   no sol    till_n
                1  lm+msd   -1
    }
    rmm{
      edelta_change_to_rmm = 5.0e-3
    }
    submat{
      before_renewal=on  ! default
    }
}

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

printlevel{
    base = 1
}
