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fixed lists and definition lists
Signed-off-by: Nick Papior <nickpapior@gmail.com>
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docs/sisl_uses.bib

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@@ -12,6 +12,7 @@ @ARTICLE{10.3389/fphy.2023.1237383
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ABSTRACT={Terahertz (THz) field pulses can now be applied in scanning tunneling microscopy (THz-STM) junction experiments to study time-resolved dynamics. The relatively slow pulse compared to the typical electronic time-scale calls for approximations based on a time-scale separation. Here, we contrast three methods based on non-equilibrium Green’s functions: i) the steady-state, adiabatic results, ii) the lowest-order dynamic expansion in the time variation, and iii) the auxiliary mode propagation method without approximations in the time variation. We consider a concrete THz-STM junction setup involving a hydrogen adsorbate on graphene where the localized spin polarization can be manipulated on/off by a local field from the tip electrode and/or a back-gate affecting the in-plane transport. We use steady-state non-equilibrium Green’s function theory combined with density functional theory to obtain a Hubbard model for the study of the junction dynamics. Solving the Hubbard model in a mean-field approximation, we find that the near-adiabatic first-order dynamic expansion in the time variation provides a good description for STM voltage pulses up to the 1 V range.}
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}
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@article{Brede2023,
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doi = {10.1038/s41467-023-42436-7}
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}

src/sisl/_core/_ufuncs_geometry.py

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@@ -1484,10 +1484,13 @@ def scale(
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the scale factor for the new geometry (lattice vectors, coordinates
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and the atomic radii are scaled).
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what: {"abc", "xyz"}
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``abc``
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Is applied on the corresponding lattice vector and the fractional coordinates.
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``xyz``
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Is applied only to the atomic coordinates.
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If three different scale factors are provided, each will correspond to the
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Cartesian direction/lattice vector.
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scale_atoms :

src/sisl/_core/atom.py

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@@ -997,9 +997,10 @@ class Atom(
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-----
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One can define atoms outside of the periodic table. They will generally
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be handled in this order:
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- negative numbers will be converted into positive ones, and the returned
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object will be an AtomGhost
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- any other number (or name) not found in the periodic table will be returned
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* negative numbers will be converted into positive ones, and the returned
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object will be an `AtomGhost`
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* any other number (or name) not found in the periodic table will be returned
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in an AtomUnknown object
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The mass for atoms outside the periodic table will default to 1e40 amu.

src/sisl/io/tbtrans/tbt.py

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@@ -1021,7 +1021,7 @@ def fano(self, elec_from=0, elec_to=1, kavg=True, zero_T=1e-6) -> ndarray:
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.. math::
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F(E) &= \frac{\sum_{k,n} T_{k,n}(E)[1 - T_{k,n}(E)] w_k}{\sum_{k,n} T_{k,n}(E) w_k}
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\\
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&= S(E, V) / S_P(E, V)
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&= S(E, V) / S_P(E, V)
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Notes
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-----
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For a spin-polarized calculation one should calculate the Fano factor as:
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>>> up = get_sile('siesta.TBT_UP.nc')
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>>> up = get_sile('siesta.TBT_UP.nc')
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>>> down = get_sile('siesta.TBT_DN.nc')
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>>> fano = up.fano() * up.transmission() + down.fano() * down.transmission()
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>>> fano /= up.transmission() + down.transmission()

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