.. highlight:: none Parameters for the dynamical Green’s function --------------------------------------------- * ``CalcSpec`` **Type :** String(choose from ``"None"``, ``"Normal"``, ``"NoIteration"``, ``"Restart_out"``, ``"Restart_in"``, ``"Restart"``, ``"None"`` as default.) **Description :** The condition for the calculation of the dynamical Green’s function is specified. ``"None"`` for omitting the calculation of the dynamical Green’s function. ``"Normal"`` for calculating that function from scratch, ``"NoIteration"`` for calculating that function with the same iteration in the previous run (In this case, the Hamiltonian-vector product is not performed. Although the numerical cost is very small, the convergence is not guaranteed), ``"Restart_out"`` for calculating that function from scratch and writing the restart-file at the end, ``"Restart_in"`` for starting the calculation with the previously written restart-file, ``"Restart"`` for ``"Restart_out"`` + ``"Restart_in"``. The scheme for the spectrum calculation is specified by using the parameter ``method``. If ``method="CG"`` is chosen, the shifted bi-conjugate gradient method [#]_ together with the seed-switch technique [#]_ is employed with the help of the :math:`K\omega` library [#]_. * ``SpectrumType`` **Type :** String (choose from ``"SzSz"``, ``"S+S-"``, ``"Density"``, ``"up"``, ``"down"``. ``"SzSz"`` as default.) **Description :** The type of the dynamical Green’s function to be computed is specified. ``"SzSz"`` for :math:`\langle {S}^z_{-\bf q} {S}^z_{\bf q}\rangle`, ``"S+S-"`` for :math:`\langle {S}^{+}_{-\bf q} {S}^{-}_{\bf q}\rangle`, ``"Density"`` for :math:`\langle {n}_{-\bf q} {n}_{\bf q}\rangle`, ``"up"`` for :math:`\langle {c}^{\dagger}_{{\bf q} \uparrow} {c}_{{\bf q} \uparrow}\rangle`, ``"down"`` for :math:`\langle {c}^{\dagger}_{{\bf q} \downarrow} {c}_{{\bf q} \downarrow}\rangle`. * ``SpectrumQW``, ``SpectrumQL`` **Type :** Double (default value: ``0.0``) **Description :** The wave number (Fractional coordinate) of the dynamical Green’s function is specified. The reciprocal lattice vector is computed from the direct lattice vector shown in :numref:`fig_chap04_1_lattice` , :numref:`fig_chap04_1_honeycomb` , :numref:`fig_kagome` , :numref:`fig_ladder` . * ``OmegaOrg`` **Type :** Double (``0.0`` as default.) **Description :** The origin value of the frequency. * ``OmegaMin`` **Type :** Double (``-LargeValue`` times the number of sites as default.) **Description :** The lower limit of the real part of the frequency measured from ``OmegaOrg``. * ``OmegaMax`` **Type :** Double (``LargeValue`` times the number of sites as default.) **Description :** The upper limit of the real part of the frequency measured from ``OmegaOrg``. * ``OmegaIm`` **Type :** Double (``0.01*LargeValue`` as a default.) **Description :** The imaginary part of the frequency. * ``NOmega`` **Type :** Positive integer (``200`` as a default.) **Description :** The number of frequencies. .. [#] \A. Frommer, Computing **70**, 87-109 (2003). .. [#] \S. Yamamoto, T. Sogabe, T. Hoshi, S.-L. Zhang, T. Fujiwara, Journal of the Physical Society of Japan **77**, 114713 (2008). .. [#] https://github.com/issp-center-dev/Komega. .. raw:: latex \newpage