xarpes 0.5.0__py3-none-any.whl → 0.6.1__py3-none-any.whl

xarpes/selfenergies.py

@@ -13,15 +13,18 @@
 
 import numpy as np
 from .plotting import get_ax_fig_plt, add_fig_kwargs
-from .constants import PREF
+from .constants import PREF, KILO, K_B
 
 class SelfEnergy:
-    r"""Self-energy (ekin-leading; hnuminPhi/ekin are read-only)."""
+    r"""Self-energy"""
 
-    def __init__(self, ekin_range, hnuminPhi, label, properties, parameters):
+    def __init__(self, ekin_range, hnuminPhi, energy_resolution,
+                 temperature, label, properties, parameters):
         # core read-only state
         self._ekin_range = ekin_range
         self._hnuminPhi = hnuminPhi
+        self._energy_resolution = energy_resolution
+        self._temperature = temperature
         self._label = label
 
         # accept either a dict or a single-element list of dicts
@@ -29,8 +32,9 @@ class SelfEnergy:
             if len(properties) == 1:
                 properties = properties[0]
             else:
-                raise ValueError("`properties` must be a dict or a single " \
-                "dict in a list.")
+                raise ValueError(
+                    "`properties` must be a dict or a single dict in a list."
+                )
 
         # single source of truth for all params (+ their *_sigma)
         self._properties = dict(properties or {})
@@ -54,7 +58,9 @@ class SelfEnergy:
         if self._class == "SpectralLinear" and (self._bare_mass is not None):
             raise ValueError("`bare_mass` cannot be set for SpectralLinear.")
         if self._class == "SpectralQuadratic" and (self._fermi_velocity is not None):
-            raise ValueError("`fermi_velocity` cannot be set for SpectralQuadratic.")
+            raise ValueError(
+                "`fermi_velocity` cannot be set for SpectralQuadratic."
+                )
 
         if self._side is not None and self._side not in ("left", "right"):
             raise ValueError("`side` must be 'left' or 'right' if provided.")
@@ -78,12 +84,19 @@ class SelfEnergy:
         self._imag = None
         self._imag_sigma = None
 
+        # lazy caches for α²F(ω) extraction results
+        self._a2f_spectrum = None
+        self._a2f_model = None
+        self._a2f_omega_range = None
+        self._a2f_alpha_select = None
+        self._a2f_cost = None
+
     def _check_mass_velocity_exclusivity(self):
         """Ensure that fermi_velocity and bare_mass are not both set."""
         if (self._fermi_velocity is not None) and (self._bare_mass is not None):
             raise ValueError(
-                "Cannot set both `fermi_velocity` and `bare_mass`: "
-                "choose one physical parametrization (SpectralLinear or SpectralQuadratic)."
+                "Cannot set both `fermi_velocity` and  `bare_mass`: choose one "
+                "physical parametrization (SpectralLinear or SpectralQuadratic)."
             )
 
     # ---------------- core read-only axes ----------------
@@ -101,6 +114,16 @@ class SelfEnergy:
     @property
     def hnuminPhi(self):
         return self._hnuminPhi
+    
+    @property
+    def energy_resolution(self):
+        """Energy resolution associated with the self-energy."""
+        return self._energy_resolution
+    
+    @property
+    def temperature(self):
+        """Temperature associated with the self-energy [K]."""
+        return self._temperature
 
     # ---------------- identifiers ----------------
     @property
@@ -158,8 +181,9 @@ class SelfEnergy:
     @fermi_velocity.setter
     def fermi_velocity(self, x):
         if self._class == "SpectralQuadratic":
-            raise ValueError("`fermi_velocity` cannot be set for" \
-            " SpectralQuadratic.")
+            raise ValueError(
+                "`fermi_velocity` cannot be set for SpectralQuadratic."
+                )
         self._fermi_velocity = x
         self._parameters["fermi_velocity"] = x
         # invalidate dependents
@@ -174,7 +198,9 @@ class SelfEnergy:
     @bare_mass.setter
     def bare_mass(self, x):
         if self._class == "SpectralLinear":
-            raise ValueError("`bare_mass` cannot be set for SpectralLinear.")
+            raise ValueError(
+                "`bare_mass` cannot be set for SpectralLinear."
+                )
         self._bare_mass = x
         self._parameters["bare_mass"] = x
         # invalidate dependents
@@ -252,7 +278,7 @@ class SelfEnergy:
     # ---------------- derived outputs ----------------
     @property
     def peak_positions(self):
-        r"""k_parallel = peak * dtor * sqrt(ekin_range / pref) (lazy)."""
+        r"""k_parallel = peak * dtor * sqrt(ekin_range / PREF) (lazy)."""
         if self._peak_positions is None:
             if self._peak is None or self._ekin_range is None:
                 return None
@@ -263,13 +289,17 @@ class SelfEnergy:
                         "before accessing peak_positions and quantities that "
                         "depend on the latter."
                     )
-                kpar_mag = np.sqrt(self._ekin_range / PREF) * \
-                    np.sin(np.deg2rad(np.abs(self._peak)))
-                self._peak_positions = (-1.0 if self._side == "left" \
-                                        else 1.0) * kpar_mag
+                kpar_mag = (
+                    np.sqrt(self._ekin_range / PREF)
+                    * np.sin(np.deg2rad(np.abs(self._peak)))
+                )
+                self._peak_positions = ((-1.0 if self._side == "left"
+                                        else 1.0) * kpar_mag)
             else:
-                self._peak_positions = np.sqrt(self._ekin_range / PREF) \
-                * np.sin(np.deg2rad(self._peak))
+                self._peak_positions = (
+                    np.sqrt(self._ekin_range / PREF)
+                    * np.sin(np.deg2rad(self._peak))
+                )
         return self._peak_positions
     
 
@@ -279,10 +309,13 @@ class SelfEnergy:
         if self._peak_positions_sigma is None:
             if self._peak_sigma is None or self._ekin_range is None:
                 return None
-            self._peak_positions_sigma = (np.sqrt(self._ekin_range / PREF) \
-                * np.abs(np.cos(np.deg2rad(self._peak))) \
-                * np.deg2rad(self._peak_sigma))
+            self._peak_positions_sigma = (
+                np.sqrt(self._ekin_range / PREF)
+                * np.abs(np.cos(np.deg2rad(self._peak)))
+                * np.deg2rad(self._peak_sigma)
+            )
         return self._peak_positions_sigma
+    
 
     @property
     def imag(self):
@@ -290,82 +323,224 @@ class SelfEnergy:
         if self._imag is None:
             if self._broadening is None or self._ekin_range is None:
                 return None
-            if self._class == "SpectralLinear":
-                if self._fermi_velocity is None:
-                    raise AttributeError("Cannot compute `imag` "
-                    "(SpectralLinear): set `fermi_velocity` first.")
-                self._imag = np.abs(self._fermi_velocity) * np.sqrt(self._ekin_range \
-                     / PREF) * self._broadening
-            else:
-                if self._bare_mass is None:
-                    raise AttributeError("Cannot compute `imag` "
-                    "(SpectralQuadratic): set `bare_mass` first.")
-                self._imag = (self._ekin_range * self._broadening) \
-                / np.abs(self._bare_mass)
+            self._imag = self._compute_imag()
         return self._imag
 
+
     @property
     def imag_sigma(self):
         r"""Std. dev. of -Σ'' (lazy)."""
         if self._imag_sigma is None:
             if self._broadening_sigma is None or self._ekin_range is None:
                 return None
-            if self._class == "SpectralLinear":
-                if self._fermi_velocity is None:
-                    raise AttributeError("Cannot compute `imag_sigma` "
-                    "(SpectralLinear): set `fermi_velocity` first.")
-                self._imag_sigma = np.abs(self._fermi_velocity) * \
-                    np.sqrt(self._ekin_range / PREF) * self._broadening_sigma
-            else:
-                if self._bare_mass is None:
-                    raise AttributeError("Cannot compute `imag_sigma` "
-                    "(SpectralQuadratic): set `bare_mass` first.")
-                self._imag_sigma = (self._ekin_range * \
-                            self._broadening_sigma) / np.abs(self._bare_mass)
+            self._imag_sigma = self._compute_imag_sigma()
         return self._imag_sigma
 
+
     @property
     def real(self):
         r"""Σ' (lazy)."""
         if self._real is None:
             if self._peak is None or self._ekin_range is None:
                 return None
-            if self._class == "SpectralLinear":
-                if self._fermi_velocity is None or self._fermi_wavevector is None:
-                    raise AttributeError("Cannot compute `real` "
-                    "(SpectralLinear): set `fermi_velocity` and " \
-                    "`fermi_wavevector` first.")
-                self._real = self.enel_range - self._fermi_velocity * \
-                    (self.peak_positions - self._fermi_wavevector)
-            else:
-                if self._bare_mass is None or self._fermi_wavevector is None:
-                    raise AttributeError("Cannot compute `real` "
-                    "(SpectralQuadratic): set `bare_mass` and " \
-                    "`fermi_wavevector` first.")
-                self._real = self.enel_range - (PREF / \
-                    self._bare_mass) * (self.peak_positions**2 \
-                    - self._fermi_wavevector**2)
+            self._real = self._compute_real()
         return self._real
 
+
     @property
     def real_sigma(self):
         r"""Std. dev. of Σ' (lazy)."""
         if self._real_sigma is None:
             if self._peak_sigma is None or self._ekin_range is None:
                 return None
-            if self._class == "SpectralLinear":
-                if self._fermi_velocity is None:
-                    raise AttributeError("Cannot compute `real_sigma` "
-                    "(SpectralLinear): set `fermi_velocity` first.")
-                self._real_sigma = np.abs(self._fermi_velocity) * self.peak_positions_sigma
-            else: 
-                if self._bare_mass is None or self._fermi_wavevector is None:
-                    raise AttributeError("Cannot compute `real_sigma` "
-                    "(SpectralQuadratic): set `bare_mass` and " \
-                    "`fermi_wavevector` first.")
-                self._real_sigma = 2 * PREF * self.peak_positions_sigma \
-                    * np.abs(self.peak_positions / self._bare_mass)
+            self._real_sigma = self._compute_real_sigma()
         return self._real_sigma
+    
+    @property
+    def a2f_spectrum(self):
+        """Cached α²F(ω) spectrum from last extraction (or None)."""
+        return self._a2f_spectrum
+
+    @property
+    def a2f_model(self):
+        """Cached MEM model spectrum from last extraction (or None)."""
+        return self._a2f_model
+
+    @property
+    def a2f_omega_range(self):
+        """Cached ω grid for the last extraction (or None)."""
+        return self._a2f_omega_range
+
+    @property
+    def a2f_alpha_select(self):
+        """Cached selected alpha from last extraction (or None)."""
+        return self._a2f_alpha_select
+
+    @property
+    def a2f_cost(self):
+        """Cached cost from last bayesian_loop (or None)."""
+        return self._a2f_cost
+
+
+    def _compute_imag(self, fermi_velocity=None, bare_mass=None):
+        r"""Compute -Σ'' without touching caches."""
+        if self._broadening is None or self._ekin_range is None:
+            return None
+
+        ekin = np.asarray(self._ekin_range)
+        broad = self._broadening
+
+        if self._class == "SpectralLinear":
+            vF = self._fermi_velocity if fermi_velocity is None else fermi_velocity
+            if vF is None:
+                raise AttributeError(
+                    "Cannot compute `imag` (SpectralLinear): set `fermi_velocity` "
+                    "first."
+                )
+            return np.abs(vF) * np.sqrt(ekin / PREF) * broad
+
+        if self._class == "SpectralQuadratic":
+            mb = self._bare_mass if bare_mass is None else bare_mass
+            if mb is None:
+                raise AttributeError(
+                    "Cannot compute `imag` (SpectralQuadratic): set `bare_mass` "
+                    "first."
+                )
+            return (ekin * broad) / np.abs(mb)
+
+        raise NotImplementedError(
+            f"_compute_imag is not implemented for spectral class '{self._class}'."
+        )
+
+
+    def _compute_imag_sigma(self, fermi_velocity=None, bare_mass=None):
+        r"""Compute std. dev. of -Σ'' without touching caches."""
+        if self._broadening_sigma is None or self._ekin_range is None:
+            return None
+
+        ekin = np.asarray(self._ekin_range)
+        broad_sigma = self._broadening_sigma
+
+        if self._class == "SpectralLinear":
+            vF = self._fermi_velocity if fermi_velocity is None else fermi_velocity
+            if vF is None:
+                raise AttributeError(
+                    "Cannot compute `imag_sigma` (SpectralLinear): set "
+                    "`fermi_velocity` first."
+                )
+            return np.abs(vF) * np.sqrt(ekin / PREF) * broad_sigma
+
+        if self._class == "SpectralQuadratic":
+            mb = self._bare_mass if bare_mass is None else bare_mass
+            if mb is None:
+                raise AttributeError(
+                    "Cannot compute `imag_sigma` (SpectralQuadratic): set "
+                    "`bare_mass` first."
+                )
+            return (ekin * broad_sigma) / np.abs(mb)
+
+        raise NotImplementedError(
+            f"_compute_imag_sigma is not implemented for spectral class "
+            f"'{self._class}'."
+        )
+
+
+    def _compute_real(self, fermi_velocity=None, fermi_wavevector=None,
+                    bare_mass=None):
+        r"""Compute Σ' without touching caches."""
+        if self._peak is None or self._ekin_range is None:
+            return None
+
+        enel = self.enel_range
+        kpar = self.peak_positions
+        if kpar is None:
+            return None
+
+        if self._class == "SpectralLinear":
+            vF = self._fermi_velocity if fermi_velocity is None else fermi_velocity
+            kF = (self._fermi_wavevector if fermi_wavevector is None
+                else fermi_wavevector)
+            if vF is None or kF is None:
+                raise AttributeError(
+                    "Cannot compute `real` (SpectralLinear): set `fermi_velocity` "
+                    "and `fermi_wavevector` first."
+                )
+            return enel - vF * (kpar - kF)
+
+        if self._class == "SpectralQuadratic":
+            mb = self._bare_mass if bare_mass is None else bare_mass
+            kF = (self._fermi_wavevector if fermi_wavevector is None
+                else fermi_wavevector)
+            if mb is None or kF is None:
+                raise AttributeError(
+                    "Cannot compute `real` (SpectralQuadratic): set `bare_mass` "
+                    "and `fermi_wavevector` first."
+                )
+            return enel - (PREF / mb) * (kpar**2 - kF**2)
+
+        raise NotImplementedError(
+            f"_compute_real is not implemented for spectral class '{self._class}'."
+        )
+
+    def _compute_real_sigma(self, fermi_velocity=None, fermi_wavevector=None,
+                            bare_mass=None):
+        r"""Compute std. dev. of Σ' without touching caches."""
+        if self._peak_sigma is None or self._ekin_range is None:
+            return None
+
+        kpar_sigma = self.peak_positions_sigma
+        if kpar_sigma is None:
+            return None
+
+        if self._class == "SpectralLinear":
+            vF = self._fermi_velocity if fermi_velocity is None else fermi_velocity
+            if vF is None:
+                raise AttributeError(
+                    "Cannot compute `real_sigma` (SpectralLinear): set "
+                    "`fermi_velocity` first."
+                )
+            return np.abs(vF) * kpar_sigma
+
+        if self._class == "SpectralQuadratic":
+            mb = self._bare_mass if bare_mass is None else bare_mass
+            kF = (self._fermi_wavevector if fermi_wavevector is None
+                else fermi_wavevector)
+            if mb is None or kF is None:
+                raise AttributeError(
+                    "Cannot compute `real_sigma` (SpectralQuadratic): set "
+                    "`bare_mass` and `fermi_wavevector` first."
+                )
+
+            kpar = self.peak_positions
+            if kpar is None:
+                return None
+            return 2.0 * PREF * kpar_sigma * np.abs(kpar / mb)
+
+        raise ValueError(
+            f"Unsupported spectral class '{self._class}' in "
+            "_compute_real_sigma."
+        )
+
+
+    def _evaluate_self_energy_arrays(self, fermi_velocity=None, fermi_wavevector=None,
+                                    bare_mass=None):
+        r"""Evaluate Σ' / -Σ'' and 1σ uncertainties without mutating caches."""
+        real = self._compute_real(
+            fermi_velocity=fermi_velocity,
+            fermi_wavevector=fermi_wavevector,
+            bare_mass=bare_mass,
+        )
+        real_sigma = self._compute_real_sigma(
+            fermi_velocity=fermi_velocity,
+            fermi_wavevector=fermi_wavevector,
+            bare_mass=bare_mass,
+        )
+        imag = self._compute_imag(fermi_velocity=fermi_velocity, bare_mass=bare_mass)
+        imag_sigma = self._compute_imag_sigma(
+            fermi_velocity=fermi_velocity, bare_mass=bare_mass
+        )
+        return real, real_sigma, imag, imag_sigma
+
 
     @property
     def mdc_maxima(self):
@@ -389,7 +564,7 @@ class SelfEnergy:
                     self.peak_positions + self._center_wavevector
                 )
 
-        return self._mdc_maxima
+        return self._mdc_maxima    
     
     def _se_legend_labels(self):
         """Return (real_label, imag_label) for legend with safe subscripts."""
@@ -412,15 +587,37 @@ class SelfEnergy:
         imag_label = rf"$-\Sigma_{{\mathrm{{{safe_label}}}}}''(E)$"
 
         return real_label, imag_label
+    
+    def _a2f_legend_labels(self):
+        """Return (a2f_label, model_label) for legend with safe subscripts."""
+        se_label = getattr(self, "label", None)
+
+        if se_label is None:
+            return r"$\alpha^2F(\omega)$", r"$m(\omega)$"
+
+        safe_label = str(se_label).replace("_", r"\_")
+        if safe_label == "":
+            return r"$\alpha^2F(\omega)$", r"$m(\omega)$"
+
+        a2f_label = rf"$\alpha^2F_{{\mathrm{{{safe_label}}}}}(\omega)$"
+        model_label = rf"$m_{{\mathrm{{{safe_label}}}}}(\omega)$"
+        return a2f_label, model_label
 
     @add_fig_kwargs
-    def plot_real(self, ax=None, **kwargs):
+    def plot_real(self, ax=None, scale="eV", resolution_range="absent", **kwargs):
         r"""Plot the real part Σ' of the self-energy as a function of E-μ.
 
         Parameters
         ----------
         ax : Matplotlib-Axes or None
             Axis to plot on. Created if not provided by the user.
+        scale : {"eV", "meV"}
+            Units for both axes. If "meV", x and y (and yerr) are multiplied by
+            `KILO`.
+        resolution_range : {"absent", "applied"}
+            If "applied", removes points with |E-μ| <= energy_resolution (around
+            the chemical potential). The energy resolution is taken from
+            ``self.energy_resolution`` (in eV) and scaled consistently with `scale`.
         **kwargs :
             Additional keyword arguments passed to ``ax.errorbar``.
 
@@ -433,10 +630,31 @@ class SelfEnergy:
 
         ax, fig, plt = get_ax_fig_plt(ax=ax)
 
+        if scale not in ("eV", "meV"):
+            raise ValueError("scale must be either 'eV' or 'meV'.")
+        if resolution_range not in ("absent", "applied"):
+            raise ValueError("resolution_range must be 'absent' or 'applied'.")
+
+        factor = KILO if scale == "meV" else 1.0
+
         x = self.enel_range
         y = self.real
         y_sigma = self.real_sigma
 
+        if x is not None:
+            x = factor * np.asarray(x, dtype=float)
+        if y is not None:
+            y = factor * np.asarray(y, dtype=float)
+
+        if resolution_range == "applied" and x is not None and y is not None:
+            res = self.energy_resolution
+            if res is not None:
+                keep = np.abs(x) > (factor * float(res))
+                x = x[keep]
+                y = y[keep]
+                if y_sigma is not None:
+                    y_sigma = np.asarray(y_sigma, dtype=float)[keep]
+
         real_label, _ = self._se_legend_labels()
         kwargs.setdefault("label", real_label)
 
@@ -446,23 +664,33 @@ class SelfEnergy:
                     "Warning: some Σ'(E) uncertainty values are missing. "
                     "Error bars omitted at those energies."
                 )
-            kwargs.setdefault("yerr", xprs.sigma_confidence * y_sigma)
+            kwargs.setdefault("yerr", xprs.sigma_confidence * factor * y_sigma)
 
         ax.errorbar(x, y, **kwargs)
-        ax.set_xlabel(r"$E-\mu$ (eV)")
-        ax.set_ylabel(r"$\Sigma'(E)$ (eV)")
+
+        x_unit = "meV" if scale == "meV" else "eV"
+        ax.set_xlabel(rf"$E-\mu$ ({x_unit})")
+        ax.set_ylabel(rf"$\Sigma'(E)$ ({x_unit})")
         ax.legend()
 
         return fig
 
+
     @add_fig_kwargs
-    def plot_imag(self, ax=None, **kwargs):
+    def plot_imag(self, ax=None, scale="eV", resolution_range="absent", **kwargs):
         r"""Plot the imaginary part -Σ'' of the self-energy vs. E-μ.
 
         Parameters
         ----------
         ax : Matplotlib-Axes or None
             Axis to plot on. Created if not provided by the user.
+        scale : {"eV", "meV"}
+            Units for both axes. If "meV", x and y (and yerr) are multiplied by
+            `KILO`.
+        resolution_range : {"absent", "applied"}
+            If "applied", removes points with |E-μ| <= energy_resolution (around
+            the chemical potential). The energy resolution is taken from
+            ``self.energy_resolution`` (in eV) and scaled consistently with `scale`.
         **kwargs :
             Additional keyword arguments passed to ``ax.errorbar``.
 
@@ -475,10 +703,31 @@ class SelfEnergy:
 
         ax, fig, plt = get_ax_fig_plt(ax=ax)
 
+        if scale not in ("eV", "meV"):
+            raise ValueError("scale must be either 'eV' or 'meV'.")
+        if resolution_range not in ("absent", "applied"):
+            raise ValueError("resolution_range must be 'absent' or 'applied'.")
+
+        factor = KILO if scale == "meV" else 1.0
+
         x = self.enel_range
         y = self.imag
         y_sigma = self.imag_sigma
 
+        if x is not None:
+            x = factor * np.asarray(x, dtype=float)
+        if y is not None:
+            y = factor * np.asarray(y, dtype=float)
+
+        if resolution_range == "applied" and x is not None and y is not None:
+            res = self.energy_resolution
+            if res is not None:
+                keep = np.abs(x) > (factor * float(res))
+                x = x[keep]
+                y = y[keep]
+                if y_sigma is not None:
+                    y_sigma = np.asarray(y_sigma, dtype=float)[keep]
+
         _, imag_label = self._se_legend_labels()
         kwargs.setdefault("label", imag_label)
 
@@ -488,31 +737,76 @@ class SelfEnergy:
                     "Warning: some -Σ''(E) uncertainty values are missing. "
                     "Error bars omitted at those energies."
                 )
-            kwargs.setdefault("yerr", xprs.sigma_confidence * y_sigma)
+            kwargs.setdefault("yerr", xprs.sigma_confidence * factor * y_sigma)
 
         ax.errorbar(x, y, **kwargs)
-        ax.set_xlabel(r"$E-\mu$ (eV)")
-        ax.set_ylabel(r"$-\Sigma''(E)$ (eV)")
+
+        x_unit = "meV" if scale == "meV" else "eV"
+        ax.set_xlabel(rf"$E-\mu$ ({x_unit})")
+        ax.set_ylabel(rf"$-\Sigma''(E)$ ({x_unit})")
         ax.legend()
 
         return fig
 
+
     @add_fig_kwargs
-    def plot_both(self, ax=None, **kwargs):
-        r"""Plot Σ'(E) and -Σ''(E) vs. E-μ on the same axis."""
+    def plot_both(self, ax=None, scale="eV", resolution_range="absent", **kwargs):
+        r"""Plot Σ'(E) and -Σ''(E) vs. E-μ on the same axis.
+
+        Parameters
+        ----------
+        ax : Matplotlib-Axes or None
+            Axis to plot on. Created if not provided by the user.
+        scale : {"eV", "meV"}
+            Units for both axes. If "meV", x, y, and yerr are multiplied by
+            `KILO`.
+        resolution_range : {"absent", "applied"}
+            If "applied", removes points with |E-μ| <= energy_resolution (around
+            the chemical potential). The energy resolution is taken from
+            ``self.energy_resolution`` (in eV) and scaled consistently with `scale`.
+        **kwargs :
+            Additional keyword arguments passed to ``ax.errorbar``.
+        """
         from . import settings_parameters as xprs
 
         ax, fig, plt = get_ax_fig_plt(ax=ax)
 
+        if scale not in ("eV", "meV"):
+            raise ValueError("scale must be either 'eV' or 'meV'.")
+        if resolution_range not in ("absent", "applied"):
+            raise ValueError("resolution_range must be 'absent' or 'applied'.")
+
+        factor = KILO if scale == "meV" else 1.0
+
         x = self.enel_range
         real = self.real
         imag = self.imag
         real_sigma = self.real_sigma
         imag_sigma = self.imag_sigma
 
+        if x is not None:
+            x = factor * np.asarray(x, dtype=float)
+        if real is not None:
+            real = factor * np.asarray(real, dtype=float)
+        if imag is not None:
+            imag = factor * np.asarray(imag, dtype=float)
+
+        if resolution_range == "applied" and x is not None:
+            res = self.energy_resolution
+            if res is not None:
+                keep = np.abs(x) > (factor * float(res))
+                x = x[keep]
+                if real is not None:
+                    real = real[keep]
+                if imag is not None:
+                    imag = imag[keep]
+                if real_sigma is not None:
+                    real_sigma = np.asarray(real_sigma, dtype=float)[keep]
+                if imag_sigma is not None:
+                    imag_sigma = np.asarray(imag_sigma, dtype=float)[keep]
+
         real_label, imag_label = self._se_legend_labels()
 
-        # --- plot Σ'
         kw_real = dict(kwargs)
         if real_sigma is not None:
             if np.isnan(real_sigma).any():
@@ -520,11 +814,10 @@ class SelfEnergy:
                     "Warning: some Σ'(E) uncertainty values are missing. "
                     "Error bars omitted at those energies."
                 )
-            kw_real.setdefault("yerr", xprs.sigma_confidence * real_sigma)
+            kw_real.setdefault("yerr", xprs.sigma_confidence * factor * real_sigma)
         kw_real.setdefault("label", real_label)
         ax.errorbar(x, real, **kw_real)
 
-        # --- plot -Σ''
         kw_imag = dict(kwargs)
         if imag_sigma is not None:
             if np.isnan(imag_sigma).any():
@@ -532,16 +825,1362 @@ class SelfEnergy:
                     "Warning: some -Σ''(E) uncertainty values are missing. "
                     "Error bars omitted at those energies."
                 )
-            kw_imag.setdefault("yerr", xprs.sigma_confidence * imag_sigma)
+            kw_imag.setdefault("yerr", xprs.sigma_confidence * factor * imag_sigma)
         kw_imag.setdefault("label", imag_label)
         ax.errorbar(x, imag, **kw_imag)
 
-        ax.set_xlabel(r"$E-\mu$ (eV)")
-        ax.set_ylabel(r"$\Sigma'(E),\ -\Sigma''(E)$ (eV)")
+        x_unit = "meV" if scale == "meV" else "eV"
+        ax.set_xlabel(rf"$E-\mu$ ({x_unit})")
+        ax.set_ylabel(rf"$\Sigma'(E),\ -\Sigma''(E)$ ({x_unit})")
         ax.legend()
 
         return fig
 
+    @add_fig_kwargs
+    def plot_a2f(self, ax=None, abscissa="forward", **kwargs):
+        ax, fig, plt = get_ax_fig_plt(ax=ax)
+
+        xlim_in = ax.get_xlim()
+        ylim_in = ax.get_ylim()
+
+        if abscissa not in ("forward", "reversed"):
+            raise ValueError("abscissa must be either 'forward' or 'reversed'.")
+
+        omega = self.a2f_omega_range
+        spectrum = self.a2f_spectrum
+
+        if omega is None or spectrum is None:
+            raise AttributeError(
+                "No cached α²F(ω) spectrum found. Run `extract_a2f()` or "
+                "`bayesian_loop()` first."
+            )
+
+        if abscissa == "reversed":
+            omega = -omega[::-1]
+            spectrum = spectrum[::-1]
+
+        a2f_label, _ = self._a2f_legend_labels()
+        kwargs.setdefault("label", a2f_label)
+        ax.plot(omega, spectrum, **kwargs)
+
+        ax.set_xlabel(r"$\omega$ (meV)")
+        ax.set_ylabel(r"$\alpha^2F(\omega)$ (-)")
+
+        self._apply_spectra_axis_defaults(ax, omega, abscissa, xlim_in, ylim_in)
+
+        ax.legend()
+        return fig
+
+    @add_fig_kwargs
+    def plot_model(self, ax=None, abscissa="forward", **kwargs):
+        ax, fig, plt = get_ax_fig_plt(ax=ax)
+
+        xlim_in = ax.get_xlim()
+        ylim_in = ax.get_ylim()
+
+        if abscissa not in ("forward", "reversed"):
+            raise ValueError("abscissa must be either 'forward' or 'reversed'.")
+
+        omega = self.a2f_omega_range
+        model = self.a2f_model
+
+        if omega is None or model is None:
+            raise AttributeError(
+                "No cached model spectrum found. Run `extract_a2f()` or "
+                "`bayesian_loop()` first."
+            )
+
+        if abscissa == "reversed":
+            omega = -omega[::-1]
+            model = model[::-1]
+
+        _, model_label = self._a2f_legend_labels()
+        kwargs.setdefault("label", model_label)
+        ax.plot(omega, model, **kwargs)
+
+        ax.set_xlabel(r"$\omega$ (meV)")
+        ax.set_ylabel(r"$m(\omega)$ (-)")
+
+        self._apply_spectra_axis_defaults(ax, omega, abscissa, xlim_in, ylim_in)
+
+        ax.legend()
+        return fig
+    
+    @add_fig_kwargs
+    def plot_spectra(self, ax=None, abscissa="forward", **kwargs):
+        ax, fig, plt = get_ax_fig_plt(ax=ax)
+
+        xlim_in = ax.get_xlim()
+        ylim_in = ax.get_ylim()
+
+        if abscissa not in ("forward", "reversed"):
+            raise ValueError("abscissa must be either 'forward' or 'reversed'.")
+
+        omega = self.a2f_omega_range
+        spectrum = self.a2f_spectrum
+        model = self.a2f_model
+
+        if omega is None or spectrum is None or model is None:
+            raise AttributeError(
+                "No cached spectra found. Run `extract_a2f()` or `bayesian_loop()` "
+                "first."
+            )
+
+        if abscissa == "reversed":
+            omega = -omega[::-1]
+            spectrum = spectrum[::-1]
+            model = model[::-1]
+
+        kw_a2f = dict(kwargs)
+        kw_model = dict(kwargs)
+        a2f_label, model_label = self._a2f_legend_labels()
+        kw_a2f.setdefault("label", a2f_label)
+        kw_model.setdefault("label", model_label)
+
+        ax.plot(omega, spectrum, **kw_a2f)
+        ax.plot(omega, model, **kw_model)
+
+        self._apply_spectra_axis_defaults(ax, omega, abscissa, xlim_in, ylim_in)
+
+        ax.set_xlabel(r"$\omega$ (meV)")
+        ax.set_ylabel(r"$\alpha^2F_n(\omega),~m_n(\omega)~(-)$")
+        ax.legend()
+
+        return fig
+
+    @staticmethod
+    def _apply_spectra_axis_defaults(ax, omega, abscissa, xlim_in, ylim_in):
+        """Apply default spectra x-range and y-min, without stomping overrides.
+
+        Defaults are applied only if the incoming axis limits were Matplotlib's
+        defaults (0, 1), i.e. the caller did not pre-set them.
+        """
+        if abscissa not in ("forward", "reversed"):
+            raise ValueError("abscissa must be either 'forward' or 'reversed'.")
+
+        omega_max = float(np.max(np.abs(omega)))
+
+        # --- X defaults (only if user did not pre-set xlim)
+        x0, x1 = xlim_in
+        x_is_default = np.isclose(x0, 0.0) and np.isclose(x1, 1.0)
+        if x_is_default:
+            if abscissa == "forward":
+                ax.set_xlim(0.0, omega_max)
+            else:
+                ax.set_xlim(-omega_max, 0.0)
+
+        # --- Y default: set only the bottom to 0 (only if user did not pre-set)
+        y0, y1 = ylim_in
+        y_is_default = np.isclose(y0, 0.0) and np.isclose(y1, 1.0)
+        if y_is_default:
+            ax.set_ylim(bottom=0.0)
+
+
+    @add_fig_kwargs
+    def extract_a2f(self, *, omega_min, omega_max, omega_num, omega_I, omega_M,
+                    mem=None, ax=None, **mem_kwargs):
+        r"""
+        Extract Eliashberg function α²F(ω) from the self-energy. While working
+        with band maps and MDCs is more intuitive in eV, the self-energy
+        extraction is performed in eV.
+
+        Parameters
+        ----------
+        ax : Matplotlib-Axes or None
+            Axis to plot on. Created if not provided by the user. (Not used yet;
+            reserved for future plotting.)
+
+        Returns
+        -------
+        spectrum : ndarray
+            Extracted α²F(ω).
+        model : ndarray
+            MEM model spectrum.
+        omega_range : ndarray
+            ω grid used for the extraction.
+        alpha_select : float
+            Selected alpha returned by the chi2kink procedure.
+        """
+        from . import settings_parameters as xprs
+
+        # Reserve the plot API now; not used yet, but this matches xARPES style.
+        ax, fig, plt = get_ax_fig_plt(ax=ax)
+
+        mem_cfg = self._merge_defaults(xprs.mem_defaults, mem, mem_kwargs)
+
+        method = mem_cfg["method"]
+        parts = mem_cfg["parts"]
+        iter_max = int(mem_cfg["iter_max"])
+        alpha_min = float(mem_cfg["alpha_min"])
+        alpha_max = float(mem_cfg["alpha_max"])
+        alpha_num = int(mem_cfg["alpha_num"])
+        ecut_left = float(mem_cfg["ecut_left"])
+        ecut_right = mem_cfg["ecut_right"]
+        omega_S = float(mem_cfg["omega_S"])
+        f_chi_squared = mem_cfg["f_chi_squared"]
+        sigma_svd = float(mem_cfg["sigma_svd"])
+        t_criterion = float(mem_cfg["t_criterion"])
+        mu = float(mem_cfg["mu"])
+        a_guess = float(mem_cfg["a_guess"])
+        b_guess = float(mem_cfg["b_guess"])
+        c_guess = float(mem_cfg["c_guess"])
+        d_guess = float(mem_cfg["d_guess"])
+        power = int(mem_cfg["power"])
+        lambda_el = float(mem_cfg["lambda_el"])
+        impurity_magnitude = float(mem_cfg["impurity_magnitude"])
+        W = mem_cfg.get("W", None)
+
+        if omega_S < 0.0:
+            raise ValueError("omega_S must be >= 0.")
+        if f_chi_squared is None:
+            f_chi_squared = 2.5 if parts == "both" else 2.0
+        else:
+            f_chi_squared = float(f_chi_squared)
+        if d_guess <= 0.0:
+            raise ValueError(
+                "chi2kink requires d_guess > 0 to fix the logistic sign "
+                "ambiguity."
+            )
+
+        h_n = mem_cfg.get("h_n", None)
+        if h_n is None:
+            raise ValueError(
+                "`optimisation_parameters` must include 'h_n' for cost evaluation."
+            )
+
+        from . import (create_model_function, create_kernel_function,
+                       singular_value_decomposition, MEM_core)
+
+        omega_range = np.linspace(omega_min, omega_max, omega_num)
+        model = create_model_function(omega_range, omega_I, omega_M, omega_S, h_n)
+
+        delta_omega = (omega_max - omega_min) / (omega_num - 1)
+        model_in = model * delta_omega
+
+        energies_eV = self.enel_range
+
+        ecut_left_eV = ecut_left / KILO
+        if ecut_right is None:
+            ecut_right_eV = self.energy_resolution
+        else:
+            ecut_right_eV = float(ecut_right) / KILO
+
+        Emin = np.min(energies_eV)
+        Elow = Emin + ecut_left_eV
+        Ehigh = -ecut_right_eV
+        mE = (energies_eV >= Elow) & (energies_eV <= Ehigh)
+
+        if not np.any(mE):
+            raise ValueError(
+                "Energy cutoffs removed all points; adjust ecut_left/right."
+            )
+
+        energies_eV_masked = energies_eV[mE]
+        energies = energies_eV_masked * KILO
+        k_BT = K_B * self.temperature * KILO
+
+        kernel = create_kernel_function(energies, omega_range, k_BT)
+
+        if lambda_el:
+            if W is None:
+                if self._class == "SpectralQuadratic":
+                    W = (PREF * self._fermi_wavevector**2 / self._bare_mass) * KILO
+                else:
+                    raise ValueError(
+                        "lambda_el was provided, but W is None. For a linearised "
+                        "band (SpectralLinear), you must also provide W in meV: "
+                        "the electron–electron interaction  scale."
+                    )
+
+            energies_el = energies_eV_masked * KILO
+            real_el, imag_el = self._el_el_self_energy(
+                energies_el, k_BT, lambda_el, W, power
+            )
+        else:
+            real_el = 0.0
+            imag_el = 0.0
+
+        if parts == "both":
+            real = self.real[mE] * KILO - real_el
+            real_sigma = self.real_sigma[mE] * KILO
+            imag = self.imag[mE] * KILO - impurity_magnitude - imag_el
+            imag_sigma = self.imag_sigma[mE] * KILO
+            dvec = np.concatenate((real, imag))
+            wvec = np.concatenate((real_sigma**(-2), imag_sigma**(-2)))
+            H = np.concatenate((np.real(kernel), -np.imag(kernel)))
+        elif parts == "real":
+            real = self.real[mE] * KILO - real_el
+            real_sigma = self.real_sigma[mE] * KILO
+            dvec = real
+            wvec = real_sigma**(-2)
+            H = np.real(kernel)
+        else:  # parts == "imag"
+            imag = self.imag[mE] * KILO - impurity_magnitude - imag_el
+            imag_sigma = self.imag_sigma[mE] * KILO
+            dvec = imag
+            wvec = imag_sigma**(-2)
+            H = -np.imag(kernel)
+
+        V_Sigma, U, uvec = singular_value_decomposition(H, sigma_svd)
+
+        if method == "chi2kink":
+            (spectrum_in, alpha_select, fit_curve, guess_curve,
+            chi2kink_result) = self._chi2kink_a2f(
+                dvec, model_in, uvec, mu, wvec, V_Sigma, U, alpha_min,
+                alpha_max, alpha_num, a_guess, b_guess, c_guess, d_guess,
+                f_chi_squared, t_criterion, iter_max, MEM_core
+            )
+        else:
+            raise NotImplementedError(
+                f"extract_a2f does not support method='{method}'."
+            )
+
+        # --- Plot on ax: always raw chi2 + guess; add fit only if success ---
+        alpha_range = chi2kink_result["alpha_range"]
+        alpha0 = float(alpha_range[0])
+        x_plot = np.log10(alpha_range / alpha0)
+        y_chi2 = chi2kink_result["log_chi_squared"]
+
+        ax.set_xlabel(r"log$_{10}(\alpha)$ (-)")
+        ax.set_ylabel(r"log$_{10}(\chi^2)$ (-)")
+
+        ax.plot(x_plot, y_chi2, label="data")
+        ax.plot(x_plot, guess_curve, label="guess")
+
+        if chi2kink_result["success"]:
+            ax.plot(x_plot, fit_curve, label="fit")
+            ax.axvline(
+                np.log10(alpha_select / alpha0),
+                linestyle="--",
+                label=r"$\alpha_{\rm sel}$",
+            )
+        ax.legend()
+
+        # Abort extraction if fit failed (you asked to terminate in that case)
+        if not chi2kink_result["success"]:
+            raise RuntimeError(
+                "chi2kink logistic fit failed; aborting extract_a2f after "
+                "plotting chi2 and guess."
+            )
+
+        # From here on, we know spectrum_in and alpha_select exist
+        spectrum = spectrum_in * omega_num / omega_max
+
+        self._a2f_spectrum = spectrum
+        self._a2f_model = model
+        self._a2f_omega_range = omega_range
+        self._a2f_alpha_select = alpha_select
+        self._a2f_cost = None
+
+        return fig, spectrum, model, omega_range, alpha_select
+    
+
+    def bayesian_loop(self, *, omega_min, omega_max, omega_num, omega_I, 
+                    omega_M, fermi_velocity=None, 
+                    fermi_wavevector=None, bare_mass=None, vary=(),
+                    opt_method="Nelder-Mead", opt_options=None,
+                    mem=None, loop=None, **mem_kwargs):
+        r"""
+        Bayesian outer loop calling `_cost_function()`.
+
+        If `vary` is non-empty, runs a SciPy optimization over the selected
+        parameters in `vary`.
+
+        Supported entries in `vary` depend on `self._class`:
+
+        - Common: "fermi_wavevector", "impurity_magnitude", "lambda_el", "h_n"
+        - SpectralLinear: additionally "fermi_velocity"
+        - SpectralQuadratic: additionally "bare_mass"
+
+        Notes
+        -----
+        **Convergence behaviour**
+
+        By default, convergence is controlled by a *custom patience criterion*:
+        the optimization terminates when the absolute difference between the
+        current cost and the best cost seen so far is smaller than `tole` for
+        `converge_iters` consecutive iterations.
+
+        To instead rely on SciPy's native convergence criteria (e.g. Nelder–Mead
+        `xatol` / `fatol`), disable the custom criterion by setting
+        `converge_iters=0` or `tole=None`. In that case, SciPy termination options
+        supplied via `opt_options` are used.
+
+        Parameters
+        ----------
+        opt_options : dict, optional
+            Options passed directly to `scipy.optimize.minimize`. These are only
+            used for convergence if the custom criterion is disabled (see Notes).
+        """
+
+        fermi_velocity, fermi_wavevector, bare_mass = self._prepare_bare(
+            fermi_velocity, fermi_wavevector, bare_mass)
+        
+        vary = tuple(vary) if vary is not None else ()
+
+        allowed = {"fermi_wavevector", "impurity_magnitude", "lambda_el", "h_n"}
+
+        if self._class == "SpectralLinear":
+            allowed.add("fermi_velocity")
+        elif self._class == "SpectralQuadratic":
+            allowed.add("bare_mass")
+        else:
+            raise NotImplementedError(
+                f"bayesian_loop does not support spectral class '{self._class}'."
+            )
+        
+        unknown = set(vary).difference(allowed)
+        if unknown:
+            raise ValueError(
+                f"Unsupported entries in vary: {sorted(unknown)}. "
+                f"Allowed: {sorted(allowed)}."
+            )
+                        
+        omega_num = int(omega_num)
+        if omega_num < 2:
+            raise ValueError("omega_num must be an integer >= 2.")
+
+        from . import settings_parameters as xprs
+
+        mem_cfg = self._merge_defaults(xprs.mem_defaults, mem, mem_kwargs)
+
+        parts = mem_cfg["parts"]
+        sigma_svd = float(mem_cfg["sigma_svd"])
+        ecut_left = float(mem_cfg["ecut_left"])
+        ecut_right = mem_cfg["ecut_right"]
+        omega_S = float(mem_cfg["omega_S"])
+        imp0 = float(mem_cfg["impurity_magnitude"])
+        lae0 = float(mem_cfg["lambda_el"])
+        h_n0 = float(mem_cfg["h_n"])
+        h_n_min = float(mem_cfg.get("h_n_min", 1e-8))
+
+        loop_overrides = {
+            key: val for key, val in mem_kwargs.items()
+            if (val is not None) and (key in xprs.loop_defaults)
+        }
+        loop_cfg = self._merge_defaults(xprs.loop_defaults, loop, loop_overrides)
+
+        tole = float(loop_cfg["tole"])
+        converge_iters = int(loop_cfg["converge_iters"])
+        opt_iter_max = int(loop_cfg["opt_iter_max"])
+        scale_vF = float(loop_cfg["scale_vF"])
+        scale_mb = float(loop_cfg["scale_mb"])
+        scale_imp = float(loop_cfg["scale_imp"])
+        scale_kF = float(loop_cfg["scale_kF"])
+        scale_lambda_el = float(loop_cfg["scale_lambda_el"])
+        scale_hn = float(loop_cfg["scale_hn"])
+
+        rollback_steps = int(loop_cfg.get("rollback_steps"))
+        max_retries = int(loop_cfg.get("max_retries"))
+        relative_best = float(loop_cfg.get("relative_best"))
+        min_steps_for_regression = int(loop_cfg.get("min_steps_for_regression"))
+
+        if rollback_steps < 0:
+            raise ValueError("rollback_steps must be >= 0.")
+        if max_retries < 0:
+            raise ValueError("max_retries must be >= 0.")
+        if relative_best <= 0.0:
+            raise ValueError("relative_best must be > 0.")
+        if min_steps_for_regression < 0:
+            raise ValueError("min_steps_for_regression must be >= 0.")
+
+        vF0 = float(fermi_velocity) if fermi_velocity is not None else None
+        kF0 = float(fermi_wavevector) if fermi_wavevector is not None else None
+        mb0 = float(bare_mass) if bare_mass is not None else None
+
+        if lae0 < 0.0:
+            raise ValueError("Initial lambda_el must be >= 0.")
+        if imp0 < 0.0:
+            raise ValueError("Initial impurity_magnitude must be >= 0.")
+        if omega_S < 0.0:
+            raise ValueError("omega_S must be >= 0.")
+        if h_n_min <= 0.0:
+            raise ValueError("h_n_min must be > 0.")
+        if h_n0 < h_n_min:
+            raise ValueError(
+                f"Initial h_n ({h_n0:g}) must be >= h_n_min ({h_n_min:g})."
+            )
+        if kF0 is None:
+            raise ValueError(
+                "bayesian_loop requires an initial fermi_wavevector."
+                )
+        if self._class == "SpectralLinear" and vF0 is None:
+            raise ValueError(
+                "bayesian_loop requires an initial fermi_velocity."
+                )
+        if self._class == "SpectralQuadratic" and mb0 is None:
+            raise ValueError("bayesian_loop requires an initial bare_mass.")
+        
+        from scipy.optimize import minimize
+        from . import create_kernel_function, singular_value_decomposition
+          
+        ecut_left = float(mem_cfg["ecut_left"])
+        ecut_right = mem_cfg["ecut_right"]
+
+        ecut_left_eV = ecut_left / KILO
+        if ecut_right is None:
+            ecut_right_eV = self.energy_resolution
+        else:
+            ecut_right_eV = float(ecut_right) / KILO
+
+        energies_eV = self.enel_range
+        Emin = np.min(energies_eV)
+        Elow = Emin + ecut_left_eV
+        Ehigh = -ecut_right_eV
+        mE = (energies_eV >= Elow) & (energies_eV <= Ehigh)
+
+        if not np.any(mE):
+            raise ValueError(
+                "Energy cutoffs removed all points; adjust ecut_left/right."
+            )
+
+        energies_eV_masked = energies_eV[mE]
+        energies = energies_eV_masked * KILO
+
+        k_BT = K_B * self.temperature * KILO
+        omega_range = np.linspace(omega_min, omega_max, omega_num)
+
+        kernel_raw = create_kernel_function(energies, omega_range, k_BT)
+
+        if parts == "both":
+            kernel_used = np.concatenate((np.real(kernel_raw), -np.imag(kernel_raw)))
+        elif parts == "real":
+            kernel_used = np.real(kernel_raw)
+        else:  # parts == "imag"
+            kernel_used = -np.imag(kernel_raw)
+
+        V_Sigma, U, uvec0 = singular_value_decomposition(kernel_used, sigma_svd)
+
+        _precomp = {
+            "omega_range": omega_range,
+            "mE": mE,
+            "energies_eV_masked": energies_eV_masked,
+            "V_Sigma": V_Sigma,
+            "U": U,
+            "uvec0": uvec0,
+            "ecut_left": ecut_left,
+            "ecut_right": ecut_right,
+        }
+        
+        def _reflect_min(xi, p0, p_min, scale):
+            """Map R -> [p_min, +inf) using linear reflection around p_min."""
+            return p_min + np.abs((float(p0) - p_min) + scale * float(xi))
+
+        def _unpack_params(x):
+            params = {}
+
+            i = 0
+            for name in vary:
+                xi = float(x[i])
+
+                if name == "fermi_velocity":
+                    if vF0 is None:
+                        raise ValueError("Cannot vary fermi_velocity: no "
+                        "initial vF provided.")
+                    params["fermi_velocity"] = vF0 + scale_vF * xi
+
+                elif name == "bare_mass":
+                    if mb0 is None:
+                        raise ValueError("Cannot vary bare_mass: no initial "
+                        "bare_mass provided.")
+                    params["bare_mass"] = mb0 + scale_mb * xi
+
+                elif name == "fermi_wavevector":
+                    if kF0 is None:
+                        raise ValueError(
+                            "Cannot vary fermi_wavevector: no initial kF "
+                            "provided."
+                        )
+                    params["fermi_wavevector"] = kF0 + scale_kF * xi
+                    
+                elif name == "impurity_magnitude":
+                    params["impurity_magnitude"] = _reflect_min(xi, imp0, 0.0, scale_imp)
+
+                elif name == "lambda_el":
+                    params["lambda_el"] = _reflect_min(xi, lae0, 0.0, scale_lambda_el)
+
+                elif name == "h_n":
+                    params["h_n"] = _reflect_min(xi, h_n0, h_n_min, scale_hn)
+
+                i += 1
+
+            params.setdefault("fermi_wavevector", kF0)
+            params.setdefault("impurity_magnitude", imp0)
+            params.setdefault("lambda_el", lae0)
+            params.setdefault("h_n", h_n0)
+
+            if self._class == "SpectralLinear":
+                params.setdefault("fermi_velocity", vF0)
+            elif self._class == "SpectralQuadratic":
+                params.setdefault("bare_mass", mb0)
+
+            return params
+
+        def _evaluate_cost(params):
+            optimisation_parameters = {
+                "h_n": params["h_n"],
+                "impurity_magnitude": params["impurity_magnitude"],
+                "lambda_el": params["lambda_el"],
+                "fermi_wavevector": params["fermi_wavevector"],
+            }
+
+            if self._class == "SpectralLinear":
+                optimisation_parameters["fermi_velocity"] = params["fermi_velocity"]
+            elif self._class == "SpectralQuadratic":
+                optimisation_parameters["bare_mass"] = params["bare_mass"]
+            else:
+                raise NotImplementedError(
+                    f"_evaluate_cost does not support class '{self._class}'."
+                )
+
+            return self._cost_function(
+                optimisation_parameters=optimisation_parameters,
+                omega_min=omega_min, omega_max=omega_max, omega_num=omega_num,
+                omega_I=omega_I, omega_M=omega_M, mem_cfg=mem_cfg, 
+                _precomp=_precomp
+                )
+
+        last = {"cost": None, "spectrum": None, "model": None, "alpha": None}
+
+        iter_counter = {"n": 0}
+
+        class ConvergenceException(RuntimeError):
+            """Raised when optimisation has converged successfully."""
+
+        class RegressionException(RuntimeError):
+            """Raised when optimizer regresses toward the initial guess."""
+
+        if converge_iters is None:
+            converge_iters = 0
+        converge_iters = int(converge_iters)
+
+        if tole is not None:
+            tole = float(tole)
+            if tole < 0.0:
+                raise ValueError("tole must be >= 0.")
+        if converge_iters < 0:
+            raise ValueError("converge_iters must be >= 0.")
+
+        # Track best solution seen across all obj calls (not just last).
+        best_global = {
+            "x": None,
+            "params": None,
+            "cost": np.inf,
+            "spectrum": None,
+            "model": None,
+            "alpha": None,
+        }
+
+        history = []
+
+        # Cache most recent evaluation so the callback can read a cost without
+        # forcing an extra objective evaluation.
+        last_x = {"x": None}
+        last_cost = {"cost": None}
+        initial_cost = {"cost": None}
+
+        iter_counter = {"n": 0}
+
+        def _clean_params(params):
+            """Convert NumPy scalar values to plain Python scalars."""
+            out = {}
+            for key, val in params.items():
+                if isinstance(val, np.generic):
+                    out[key] = float(val)
+                else:
+                    out[key] = val
+            return out
+
+        def obj(x):
+            import warnings
+
+            iter_counter["n"] += 1
+
+            params = _unpack_params(x)
+
+            with warnings.catch_warnings():
+                warnings.simplefilter("error", RuntimeWarning)
+                try:
+                    cost, spectrum, model, alpha_select = _evaluate_cost(params)
+                except RuntimeWarning as exc:
+                    raise ValueError(f"RuntimeWarning during cost eval: {exc}") from exc
+            cost_f = float(cost)
+
+            history.append(
+                {
+                    "x": np.array(x, dtype=float, copy=True),
+                    "params": _clean_params(params),
+                    "cost": cost_f,
+                    "spectrum": spectrum,
+                    "model": model,
+                    "alpha": float(alpha_select),
+                }
+            )
+
+            last["cost"] = cost_f
+            last["spectrum"] = spectrum
+            last["model"] = model
+            last["alpha"] = float(alpha_select)
+
+            last_x["x"] = np.array(x, dtype=float, copy=True)
+            last_cost["cost"] = cost_f
+
+            if initial_cost["cost"] is None:
+                initial_cost["cost"] = cost_f
+
+            if cost_f < best_global["cost"]:
+                best_global["x"] = np.array(x, dtype=float, copy=True)
+                best_global["cost"] = cost_f
+                best_global["params"] = _clean_params(params)
+                best_global["spectrum"] = spectrum
+                best_global["model"] = model
+                best_global["alpha"] = float(alpha_select)
+
+            msg = [f"Iter {iter_counter['n']:4d} | cost = {cost: .4e}"]
+            for key in sorted(params):
+                msg.append(f"{key}={params[key]:.8g}")
+            print(" | ".join(msg))
+
+            return cost_f
+        
+        class TerminationCallback:
+            def __init__(self, tole, converge_iters,
+                         min_steps_for_regression):
+                self.tole = None if tole is None else float(tole)
+                self.converge_iters = int(converge_iters)
+                self.min_steps_for_regression = int(
+                    min_steps_for_regression
+                )
+                self.iter_count = 0
+                self.call_count = 0
+
+            def __call__(self, xk):
+                self.call_count += 1
+
+                if self.tole is None or self.converge_iters <= 0:
+                    return
+
+                current = last_cost["cost"]
+                if current is None:
+                    return
+
+                best_cost = float(best_global["cost"])
+                if np.isfinite(best_cost):
+                    if abs(current - best_cost) < self.tole:
+                        self.iter_count += 1
+                    else:
+                        self.iter_count = 0
+
+                if self.iter_count >= self.converge_iters:
+                    raise ConvergenceException(
+                        "Converged: |cost-best| < "
+                        f"{self.tole:g} for "
+                        f"{self.converge_iters} iterations."
+                    )
+
+                if self.call_count < self.min_steps_for_regression:
+                    return
+
+                init_cost = initial_cost["cost"]
+                if init_cost is None:
+                    return
+
+                current = float(current)
+                init_cost = float(init_cost)
+
+                if not np.isfinite(best_cost):
+                    return
+
+                if (
+                    abs(current - init_cost) * relative_best
+                    < abs(current - best_cost)
+                ):
+                    raise RegressionException(
+                        "Regression toward initial guess detected."
+                    )
+
+        callback = TerminationCallback(
+            tole=tole,
+            converge_iters=converge_iters,
+            min_steps_for_regression=min_steps_for_regression,
+        )
+
+        if not vary:
+            params = _unpack_params(np.zeros(0, dtype=float))
+            cost, spectrum, model, alpha_select = _evaluate_cost(params)
+            return cost, spectrum, model, alpha_select
+
+        x0 = np.zeros(len(vary), dtype=float)
+
+        options = {} if opt_options is None else dict(opt_options)
+        options.setdefault("maxiter", int(opt_iter_max))
+
+        use_patience = (tole is not None) and (int(converge_iters) > 0)
+        if use_patience:
+            options.pop("xatol", None)
+            options.pop("fatol", None)
+
+        retry_count = 0
+        res = None
+
+        while retry_count <= max_retries:
+            best = {
+                "x": None,
+                "params": None,
+                "cost": np.inf,
+                "spectrum": None,
+                "model": None,
+                "alpha": None,
+            }
+            last_x["x"] = None
+            last_cost["cost"] = None
+            initial_cost["cost"] = None
+            iter_counter["n"] = 0
+            history.clear()
+
+            callback = TerminationCallback(
+                tole=tole,
+                converge_iters=converge_iters,
+                min_steps_for_regression=min_steps_for_regression,
+            )
+
+            try:
+                res = minimize(
+                    obj,
+                    x0,
+                    method=opt_method,
+                    options=options,
+                    callback=callback,
+                )
+                break
+
+            except ConvergenceException as exc:
+                print(str(exc))
+                res = None
+                break
+
+            except RegressionException as exc:
+                print(f"{exc} Rolling back {rollback_steps} steps.")
+                retry_count += 1
+
+                if rollback_steps <= 0 or not history:
+                    continue
+
+                back = min(int(rollback_steps), len(history))
+                x0 = np.array(history[-back]["x"], dtype=float, copy=True)
+                continue
+
+            except ValueError as exc:
+                print(f"ValueError encountered: {exc}. Rolling back.")
+                retry_count += 1
+
+                if rollback_steps <= 0 or not history:
+                    continue
+
+                back = min(int(rollback_steps), len(history))
+                x0 = np.array(history[-back]["x"], dtype=float, copy=True)
+                continue
+
+        if retry_count > max_retries:
+            print("Max retries reached. Parameters may not be optimal.")
+
+        if best_global["params"] is None:
+            params = _unpack_params(x0)
+            cost, spectrum, model, alpha_select = _evaluate_cost(params)
+        else:
+            params = best_global["params"]
+            cost = best_global["cost"]
+            spectrum = best_global["spectrum"]
+            model = best_global["model"]
+            alpha_select = best_global["alpha"]
+
+        args = ", ".join(
+            f"{key}={params[key]:.10g}" if isinstance(params[key], float)
+            else f"{key}={params[key]}"
+            for key in sorted(params)
+        )
+        print("Optimised parameters:")
+        print(args)
+
+        # store inside class methods
+        self._a2f_spectrum = spectrum
+        self._a2f_model = model
+        self._a2f_omega_range = omega_range
+        self._a2f_alpha_select = alpha_select
+        self._a2f_cost = cost
+
+        return spectrum, model, omega_range, alpha_select, cost, params
+
+    @staticmethod
+    def _merge_defaults(defaults, override_dict=None, override_kwargs=None):
+        """Merge defaults with dict + kwargs overrides (kwargs win)."""
+        cfg = dict(defaults)
+
+        if override_dict is not None:
+            cfg.update(dict(override_dict))
+
+        if override_kwargs is not None:
+            cfg.update({k: v for k, v in override_kwargs.items() if v is not None})
+
+        return cfg
+
+    def _prepare_bare(self, fermi_velocity, fermi_wavevector, bare_mass):
+        """Validate class-compatible band parameters and infer missing defaults.
+
+        Enforces:
+            - SpectralLinear: bare_mass must be None; vF and kF must be available.
+            - SpectralQuadratic: fermi_velocity must be None; bare_mass and kF must
+            be available.
+
+        Returns
+        -------
+        fermi_velocity : float or None
+            Initial vF (Linear) or None (Quadratic).
+        fermi_wavevector : float
+            Initial kF.
+        bare_mass : float or None
+            Initial bare mass (Quadratic) or None (Linear).
+        """
+        if self._class == "SpectralLinear":
+            if bare_mass is not None:
+                raise ValueError(
+                    "SpectralLinear bayesian_loop does not accept " 
+                    "`bare_mass`. Provide `fermi_velocity` instead."
+                )
+
+            if fermi_velocity is None:
+                fermi_velocity = getattr(self, "fermi_velocity", None)
+                if fermi_velocity is None:
+                    raise ValueError(
+                        "SpectralLinear optimisation requires an initial "
+                        "fermi_velocity to be provided."
+                    )
+
+            if fermi_wavevector is None:
+                fermi_wavevector = getattr(self, "fermi_wavevector", None)
+                if fermi_wavevector is None:
+                    raise ValueError(
+                        "SpectralLinear optimisation requires an initial "
+                        "fermi_wavevector to be provided."
+                    )
+
+            return float(fermi_velocity), float(fermi_wavevector), None
+
+        elif self._class == "SpectralQuadratic":
+            if fermi_velocity is not None:
+                raise ValueError(
+                    "SpectralQuadratic bayesian_loop does not accept "
+                    "`fermi_velocity`. Provide `bare_mass` instead."
+                )
+
+            if bare_mass is None:
+                bare_mass = getattr(self, "_bare_mass", None)
+                if bare_mass is None:
+                    raise ValueError(
+                        "SpectralQuadratic optimisation requires an initial "
+                        "bare_mass to be provided."
+                    )
+
+            if fermi_wavevector is None:
+                fermi_wavevector = getattr(self, "fermi_wavevector", None)
+                if fermi_wavevector is None:
+                    raise ValueError(
+                        "SpectralQuadratic optimisation requires an initial "
+                        "fermi_wavevector to be provided."
+                    )
+
+            return None, float(fermi_wavevector), float(bare_mass)
+
+        else:
+            raise NotImplementedError(
+            f"_prepare_bare is not implemented for spectral class "
+            "'{self._class}'.")
+
+    def _cost_function(self, *, optimisation_parameters, omega_min, omega_max,
+                    omega_num, omega_I, omega_M, mem_cfg, _precomp):
+        r"""TBD
+
+        Negative log-posterior cost function for Bayesian optimisation.
+
+        This mirrors `extract_a2f()` but recomputes the self-energy arrays for the
+        candidate optimisation parameters instead of using cached `self.real/imag`.
+
+        Parameters
+        ----------
+        optimisation_parameters : dict
+            Must include at least keys: "h_n", "impurity_magnitude", "lambda_el".
+            For SpectralLinear, must also include "fermi_velocity" and
+            "fermi_wavevector". For SpectralQuadratic, "bare_mass" is optional
+            (falls back to `self._bare_mass` if present).
+
+        Returns
+        -------
+        cost : float
+            Negative log-posterior evaluated at the selected alpha.
+        spectrum : ndarray
+            Rescaled α²F(ω) spectrum (same scaling convention as `extract_a2f()`).
+        model : ndarray
+            The model spectrum used by MEM (same as `extract_a2f()`).
+        alpha_select : float
+            The selected alpha returned by `_chi2kink_a2f`.
+        """
+
+        required = {"h_n", "impurity_magnitude", "lambda_el"}
+        missing = required.difference(optimisation_parameters)
+        if missing:
+            raise ValueError(
+                f"Missing optimisation parameters: {sorted(missing)}"
+            )
+        
+        parts = mem_cfg["parts"]
+        method = mem_cfg["method"]
+        alpha_min = float(mem_cfg["alpha_min"])
+        alpha_max = float(mem_cfg["alpha_max"])
+        alpha_num = int(mem_cfg["alpha_num"])
+        omega_S = float(mem_cfg["omega_S"])
+
+        mu = float(mem_cfg["mu"])
+        a_guess = float(mem_cfg["a_guess"])
+        b_guess = float(mem_cfg["b_guess"])
+        c_guess = float(mem_cfg["c_guess"])
+        d_guess = float(mem_cfg["d_guess"])
+
+        f_chi_squared = mem_cfg["f_chi_squared"]
+        power = int(mem_cfg["power"])
+        W = mem_cfg.get("W", None)
+        t_criterion = float(mem_cfg["t_criterion"])
+        iter_max = int(mem_cfg["iter_max"])
+
+        if f_chi_squared is None:
+            f_chi_squared = 2.5 if parts == "both" else 2.0
+        else:
+            f_chi_squared = float(f_chi_squared)
+
+        if d_guess <= 0.0:
+            raise ValueError(
+                "chi2kink requires d_guess > 0 to fix the logistic sign ambiguity."
+            )
+
+        if parts not in {"both", "real", "imag"}:
+            raise ValueError("parts must be one of {'both', 'real', 'imag'}")
+
+        if method != "chi2kink":
+            raise NotImplementedError(
+                "Only method='chi2kink' is currently implemented."
+            )
+
+        impurity_magnitude = float(optimisation_parameters["impurity_magnitude"])
+        lambda_el = float(optimisation_parameters["lambda_el"])
+        h_n = float(optimisation_parameters["h_n"])
+
+        fermi_velocity = None
+        fermi_wavevector = None
+        bare_mass = None
+
+        if self._class == "SpectralLinear":
+            required_lin = {"fermi_velocity", "fermi_wavevector"}
+            missing_lin = required_lin.difference(optimisation_parameters)
+            if missing_lin:
+                raise ValueError(
+                    "SpectralLinear requires optimisation_parameters to include "
+                    f"{sorted(missing_lin)}."
+                )
+            fermi_velocity = optimisation_parameters["fermi_velocity"]
+            fermi_wavevector = optimisation_parameters["fermi_wavevector"]
+
+        elif self._class == "SpectralQuadratic":
+            if "fermi_wavevector" not in optimisation_parameters:
+                raise ValueError(
+                    "SpectralQuadratic requires optimisation_parameters to include "
+                    "'fermi_wavevector'."
+                )
+            fermi_wavevector = optimisation_parameters["fermi_wavevector"]
+
+            bare_mass = optimisation_parameters.get("bare_mass", None)
+            if bare_mass is None:
+                bare_mass = getattr(self, "_bare_mass", None)
+
+        else:
+            raise NotImplementedError(
+                f"_cost_function does not support class '{self._class}'."
+            )
+
+        from . import create_model_function, MEM_core
+
+        if f_chi_squared is None:
+            f_chi_squared = 2.5 if parts == "both" else 2.0
+
+        if _precomp is None:
+            raise ValueError(
+                "_precomp is None in _cost_function. Pass the precomputed" 
+                " kernel/SVD bundle from bayesian_loop."
+            )
+
+        omega_range = _precomp["omega_range"]
+        mE = _precomp["mE"]
+        energies_eV_masked = _precomp["energies_eV_masked"]
+
+        V_Sigma = _precomp["V_Sigma"]
+        U = _precomp["U"]
+        uvec = np.array(_precomp["uvec0"], copy=True)
+
+        if f_chi_squared is None:
+            f_chi_squared = 2.5 if parts == "both" else 2.0
+
+        model = create_model_function(omega_range, omega_I, omega_M, omega_S, h_n)
+
+        delta_omega = (omega_max - omega_min) / (omega_num - 1)
+        model_in = model * delta_omega
+
+        k_BT = K_B * self.temperature * KILO
+
+        if lambda_el:
+            if W is None:
+                if self._class == "SpectralQuadratic":
+                    if fermi_wavevector is None or bare_mass is None:
+                        raise ValueError(
+                            "lambda_el is nonzero, but W is None and cannot be "
+                            "inferred. Provide W (meV), or pass both "
+                            "`fermi_wavevector` and `bare_mass`."
+                        )
+                    W = (PREF * fermi_wavevector**2 / bare_mass) * KILO
+                else:
+                    raise ValueError(
+                        "lambda_el was provided, but W is None. For "
+                        "SpectralLinear you must provide W in meV."
+                    )
+
+            energies_el = energies_eV_masked * KILO
+            real_el, imag_el = self._el_el_self_energy(
+                energies_el, k_BT, lambda_el, W, power
+            )
+        else:
+            real_el = 0.0
+            imag_el = 0.0
+
+        real, real_sigma, imag, imag_sigma = self._evaluate_self_energy_arrays(
+            fermi_velocity=fermi_velocity,
+            fermi_wavevector=fermi_wavevector,
+            bare_mass=bare_mass,
+        )
+        if real is None or imag is None:
+            raise ValueError(
+                "Cannot compute self-energy arrays for cost evaluation. "
+                "Ensure the required band parameters and peak/broadening " \
+                "inputs are set.")
+
+        real_m = real[mE] * KILO - real_el
+        imag_m = imag[mE] * KILO - impurity_magnitude - imag_el
+
+        if parts == "both":
+            real_sig_m = real_sigma[mE] * KILO
+            imag_sig_m = imag_sigma[mE] * KILO
+            dvec = np.concatenate((real_m, imag_m))
+            wvec = np.concatenate((real_sig_m**(-2), imag_sig_m**(-2)))
+        elif parts == "real":
+            real_sig_m = real_sigma[mE] * KILO
+            dvec = real_m
+            wvec = real_sig_m**(-2)
+        else:
+            imag_sig_m = imag_sigma[mE] * KILO
+            dvec = imag_m
+            wvec = imag_sig_m**(-2)
+
+        (spectrum_in, alpha_select, fit_curve, guess_curve,
+            chi2kink_result) = self._chi2kink_a2f(
+            dvec, model_in, uvec, mu, wvec, V_Sigma, U, alpha_min, alpha_max,
+            alpha_num, a_guess, b_guess, c_guess, d_guess, f_chi_squared,
+            t_criterion, iter_max, MEM_core,
+        )
+
+        T = V_Sigma @ (U.T @ spectrum_in)
+        chi_squared = wvec @ ((T - dvec) ** 2)
+
+        mask = (spectrum_in > 0.0) & (model_in > 0.0)
+        if not np.any(mask):
+            raise ValueError(
+                "Invalid spectrum/model for entropy: no positive entries "
+                "after MEM."
+            )
+
+        information_entropy = (
+            np.sum(spectrum_in[mask] - model_in[mask])
+            - np.sum(
+                spectrum_in[mask]
+                * np.log(spectrum_in[mask] / model_in[mask])
+            )
+        )
+
+        cost = (0.5 * chi_squared
+            - alpha_select * information_entropy
+            + 0.5 * np.sum(np.log(2.0 * np.pi / wvec))
+            - 0.5 * spectrum_in.size * np.log(alpha_select))
+
+        spectrum = spectrum_in * omega_num / omega_max
+
+        return (cost, spectrum, model, alpha_select)
+
+
+    @staticmethod
+    def _chi2kink_a2f(dvec, model_in, uvec, mu, wvec, V_Sigma, U, alpha_min,
+                    alpha_max, alpha_num, a_guess, b_guess, c_guess, d_guess,
+                    f_chi_squared, t_criterion, iter_max, MEM_core, *,
+                    plot=None):
+        r"""
+        Compute MEM spectrum using the chi2-kink alpha-selection procedure.
+
+        Notes
+        -----
+        This routine contains extensive logic to detect failure modes of the
+        chi2-kink logistic fit, including (but not limited to):
+
+        - non-finite or non-positive chi² values,
+        - lack of meaningful parameter updates relative to the initial guess,
+        - absence of improvement in the residual sum of squares,
+        - numerical instabilities or overflows in the logistic model,
+        - invalid or non-finite alpha selection.
+
+        Despite these safeguards, it is **not possible to guarantee** that all
+        failure modes are detected in a nonlinear least-squares problem.
+        Consequently, a reported success should be interpreted as a *necessary*
+        but *not sufficient* condition for physical or numerical reliability.
+
+        Callers **must** inspect the returned ``success`` flag (contained in
+        ``chi2kink_result``) before using the fitted curve, selected alpha, or
+        MEM spectrum. When ``success`` is False, the returned quantities are
+        limited to those required for diagnostic plotting only.
+        """
+        from . import fit_least_squares, chi2kink_logistic
+
+        alpha_range = np.logspace(alpha_min, alpha_max, int(alpha_num))
+        chi_squared = np.empty_like(alpha_range, dtype=float)
+
+        for i, alpha in enumerate(alpha_range):
+            spectrum_in, uvec = MEM_core(
+                dvec, model_in, uvec, mu, alpha, wvec, V_Sigma, U,
+                t_criterion, iter_max
+            )
+            T = V_Sigma @ (U.T @ spectrum_in)
+            chi_squared[i] = wvec @ ((T - dvec) ** 2)
+
+        if (not np.all(np.isfinite(chi_squared))) or np.any(chi_squared <= 0.0):
+            raise ValueError(
+                "chi_squared contains non-finite or non-positive values."
+            )
+
+        log_alpha = np.log10(alpha_range)
+        log_chi_squared = np.log10(chi_squared)
+
+        p0 = np.array([a_guess, b_guess, c_guess, d_guess], dtype=float)
+        pfit, pcov, lsq_success = fit_least_squares(
+            p0, log_alpha, log_chi_squared, chi2kink_logistic
+        )
+
+        with np.errstate(over="ignore", invalid="ignore", divide="ignore"):
+            guess_curve = chi2kink_logistic(log_alpha, *p0)
+
+        # Start from the necessary requirement: least_squares must say success
+        success = bool(lsq_success)
+
+        # If the guess itself blows up, we can't trust anything
+        if not np.all(np.isfinite(guess_curve)):
+            success = False
+
+        fit_curve_tmp = None
+        if success:
+            pfit = np.asarray(pfit, dtype=float)
+
+            if np.allclose(pfit, p0, rtol=1e-12, atol=0.0):
+                success = False
+            else:
+                with np.errstate(over="ignore", invalid="ignore",
+                                 divide="ignore"):
+                    fit_curve_tmp = chi2kink_logistic(log_alpha, *pfit)
+
+                if not np.all(np.isfinite(fit_curve_tmp)):
+                    success = False
+                else:
+                    r0 = guess_curve - log_chi_squared
+                    r1 = fit_curve_tmp - log_chi_squared
+                    sse0 = float(r0 @ r0)
+                    sse1 = float(r1 @ r1)
+
+                    tol = 1e-12 * max(1.0, sse0)
+                    if (not np.isfinite(sse1)) or (sse1 >= sse0 - tol):
+                        success = False
+
+        alpha_select = None
+        fit_curve = None
+        spectrum_out = None
+
+        if success:
+            fit_curve = fit_curve_tmp
+
+            cout = float(pfit[2])
+            dout = float(pfit[3])
+            exp10 = cout - float(f_chi_squared) / dout
+
+            if (not np.isfinite(exp10)) or (exp10 < -308.0) or (exp10 > 308.0):
+                success = False
+                fit_curve = None
+            else:
+                with np.errstate(over="raise", invalid="raise"):
+                    alpha_select = float(np.power(10.0, exp10))
+
+                spectrum_out, uvec = MEM_core(
+                    dvec, model_in, uvec, mu, alpha_select, wvec, V_Sigma, U,
+                    t_criterion, iter_max
+                )
+
+        chi2kink_result = {
+            "alpha_range": alpha_range,
+            "chi_squared": chi_squared,
+            "log_alpha": log_alpha,
+            "log_chi_squared": log_chi_squared,
+            "p0": p0,
+            "pfit": pfit,
+            "pcov": pcov,
+            "success": bool(success),
+            "alpha_select": alpha_select,
+        }
+
+        return spectrum_out, alpha_select, fit_curve, guess_curve, chi2kink_result
+
+
+    @staticmethod
+    def _el_el_self_energy(enel_range, k_BT, lambda_el, W, power):
+        """Electron–electron contribution to the self-energy."""
+        x = enel_range / W
+        denom = 1.0 - (np.pi * k_BT / W) ** 2
+
+        if denom == 0.0:
+            raise ZeroDivisionError(
+                "Invalid parameters: 1 - (π k_BT / W)^2 = 0."
+            )
+
+        pref = lambda_el / (W * denom)
+
+        if power == 2:
+            real_el = pref * x * ((np.pi * k_BT) ** 2 - W ** 2) / (1.0 + x ** 2)
+            imag_el = (pref * (enel_range ** 2 + (np.pi * k_BT) ** 2) 
+                       / (1.0 + x ** 2))
+
+        elif power == 4:
+            num = (
+                (np.pi * k_BT) ** 2 * (1.0 + x ** 2)
+                - W ** 2 * (1.0 - x ** 2)
+            )
+            real_el = pref * x * num / (1.0 + x ** 4)
+            imag_el = (pref * np.sqrt(2.0) * (enel_range ** 2 + (np.pi * k_BT)
+                        ** 2) / ( 1.0 + x ** 4))
+        else:
+            raise ValueError(
+                "El-el coupling has not yet been implemented for the given " \
+                "power."
+                )
+
+        return real_el, imag_el
+
 
 class CreateSelfEnergies:
     r"""