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If ``wl_emin`` and ``wl_emax`` are explicitly provided in the input file, the
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automatic energy window determination is skipped.
@@ -165,7 +165,7 @@ wl_hcut
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Higher cutoff factor for the automatic energy window. The automatically determined :math:`E_{\\text{max}}` is multiplied by this factor to set the final upper bound. Values less than 1.0 reduce the energy window. Default: **0.950**.
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wl_sigma
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Broadening width (in units of the energy window) for the Gaussian kernel applied during DOS updates. The broadening in energy units is :math:`\\sigma_E = \\text{wl_sigma} \\times N_{\\text{hist}} \\times \\Delta E`. Larger values smooth the DOS more aggressively but may reduce fine structure. Default: **0.005**.
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Broadening width (in units of the energy window) for the Gaussian kernel applied during DOS updates. The broadening in energy units is :math:`\\sigma_E = \\text{wl\\_sigma} \\times N_{\\text{hist}} \\times \\Delta E`. Larger values smooth the DOS more aggressively but may reduce fine structure. Default: **0.005**.
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wl_gfac
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Global prefactor applied to the final density of states. Used for rescaling or normalization. Default: **1.0**.
4. **q-point mesh**: Determines spatial resolution and Brillouin zone coverage
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@@ -89,10 +89,10 @@ do_sr
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Sample static correlation :math:`G(\mathbf{r})` in real space directly (Y=yes, N=no). When enabled, :math:`C(\mathbf{r},0)` is computed without requiring a q-point mesh.
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sc_step
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Number of MD/MC steps between temporal correlation samples; controls maximum frequency :math:`\omega_{\max} = \pi / (\text{timestep} \times\text{sc_step})`. Default: **10**.
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Number of MD/MC steps between temporal correlation samples; controls maximum frequency :math:`\omega_{\max} = \pi / (\text{timestep} \times\text{sc\_step})`. Default: **10**.
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sc_nstep
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Number of temporal samples collected for each correlation measurement. Controls frequency resolution :math:`\Delta\omega = 2\pi / (N_{\text{step}} \times\text{timestep} \times\text{sc_step})`. Default: **100**.
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Number of temporal samples collected for each correlation measurement. Controls frequency resolution :math:`\Delta\omega = 2\pi / (N_{\text{step}} \times\text{timestep} \times\text{sc\_step})`. Default: **100**.
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sc_sep
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Number of steps between independent correlation measurements (used when ``do_sc = C``). Default: **1**.
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