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content/examples.rst

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----------
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The ``xctensortest`` directory contains the same data as in the bccFe directory, but set up in the tensorial format that arises from the Vienna-Budapest SKKR code [Udvardi2003]_ .
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**References**
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See the centralized :doc:`references` for full bibliographic entries:
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- [Bergman2010]_ - Magnon softening in ferromagnetic monolayers
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- [Hellsvik2008]_ - Dynamics of diluted magnetic semiconductors from atomistic spin-dynamics simulations
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- [Udvardi2003]_ - First-principles relativistic study of spin waves in thin magnetic films
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content/input-keywords-ams.rst

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* **Time-resolved spectroscopy**: Pump-probe magnon dynamics after laser excitation
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References
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==========
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----------
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See the centralized :doc:`references` for full bibliographic entries:
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- [TothLake2015]_ - Linear spin wave theory for single-Q incommensurate magnetic structures
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- [Colpa1978]_ - Diagonalization of the quadratic boson Hamiltonian
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- [Holstein1940]_ - Holstein-Primakoff transformation and ferromagnetic field dependence
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- [Halilov1998]_ - Adiabatic spin dynamics from spin-density-functional theory
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.. [TothLake2015] Tóth, S., and Lake, B. "Linear spin wave theory for single-Q incommensurate magnetic structures." *J. Phys.: Condens. Matter* **27**, 166002 (2015).
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.. [Colpa1978] Colpa, J. H. P. "Diagonalization of the quadratic boson Hamiltonian." *Physica A* **93**, 327 (1978).
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.. note:: The full bibliographic entries for Holstein1940 and Halilov1998 have been moved to the centralized references page.
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See Also
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========

content/input-keywords-autocorrelation.rst

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-------------------------------------------------
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For spatially-resolved analysis, autocorrelation can be computed separately within
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each **macrocell** (computational domain subdivision). This enables characterization
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of spatial inhomogeneities in relaxation dynamics [Holian1995]_.
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each **macrocell** (computational domain subdivision).
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When ``do_macro_cells Y`` is set in the input, the code:
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- ``do_avrg``, ``avrg_step``: Companion average magnetization measurements (see :doc:`input-keywords-averages`)
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Output files use the simulation identifier ``simid`` (see :doc:`input-keywords-system`).
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References
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----------
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See the centralized :doc:`references` for full bibliographic entries:
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- [Reif1965]_ - Statistical and thermal physics fundamentals
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- [Evans2000]_ - Statistical mechanics of nonequilibrium systems
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content/input-keywords-averages.rst

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# Enable type-projected averages (ferrimagnetic system)
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do_proj_avrg Y
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References
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----------
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See the centralized :doc:`references` for full bibliographic entries:
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- [Binder1981]_ - Fourth order Binder cumulants for phase transition identification
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- [Landau2014]_ - Monte Carlo simulation methods and statistical mechanics
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- [Evans1985]_ - Nose-Hoover thermostat implementation
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# Enable cumulants for phase transition study
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do_cumu Y
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cumu_step 100 # Sample every 100 steps for statistics

content/input-keywords-clusters.rst

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@@ -8,8 +8,7 @@ The UppASD code provides functionality to **embed magnetic impurity clusters**
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within a host system, allowing users to study local properties of defects, interfaces,
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and heterostructures without breaking full system symmetries. The cluster method enables
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different magnetic moments, exchange interactions, Dzyaloshinskii-Moriya (DM) interactions,
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anisotropies, and gyromagnetic ratios inside the cluster compared to the host
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[Chico2014]_.
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anisotropies, and gyromagnetic ratios inside the cluster compared to the host.
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Cluster embedding: concept and use cases
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For the cluster embedding methodology and applications:
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.. [Chico2014] J. Chico, L. E. F. Foa Torres, R. H. Barco, O. Eriksson, and A. Bergman, "Unraveling novel quantum critical behavior in a two-dimensional Heisenberg antiferromagnet," *Phys. Rev. B* **90**, 064425 (2014).
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See also
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content/input-keywords-correlations.rst

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- :doc:`input-keywords-autocorrelation` (local autocorrelation sampling)
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- :doc:`input-keywords-montecarlo` (Monte Carlo sampling methods)
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- :doc:`input-keywords-system` (system setup and q-points)
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References
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----------
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See the centralized :doc:`references` for full bibliographic entries:
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- [Bergman2010]_ - Magnon softening in ferromagnetic monolayers
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- [Squires1978]_ - Introduction to thermal neutron scattering theory
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content/input-keywords-currents.rst

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intended for thin-film bilayer systems.
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- For thick samples, care should be taken when using interfacial torque models.
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References
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----------
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See the centralized :doc:`references` for full bibliographic entries:
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- [ZhangLi2004]_ - Zhang-Li spin-transfer torque formulation
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- [Slonczewski1996]_ - Current-driven excitation of magnetic multilayers
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- [RalphStiles2008]_ - Comprehensive review of spin transfer torques
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- [Meo2023]_ - Spin-transfer and spin-orbit torques in LLG equation
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- [Manchon2019]_ - Current-induced spin-orbit torques review
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- [Haney2013]_ - Current-induced torques and interfacial spin-orbit coupling
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- [Liu2012]_ - Spin-torque switching with giant spin Hall effect
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- [GambardellaMiron2011]_ - Current-induced spin-orbit torques
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content/input-keywords-fields.rst

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The UppASD code supports a comprehensive suite of **time and space-dependent magnetic field
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profiles** that can be applied to the system during simulations. These include pulsed
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fields with various temporal shapes, monochromatic and broadened microwave fields with
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spatial and temporal modulation, moving field profiles, and demagnetization effects
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[Pereiro2014]_ [Chico2015]_.
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spatial and temporal modulation, moving field profiles, and demagnetization effects.
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Field overview and use cases
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- Volume: Ų for demagnetization
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References and further reading
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For microwave field implementations and FMR:
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.. [Pereiro2014] M. Pereiro, D. Yudin, J. Chico, C. Etz, O. Eriksson, and A. Bergman, "Topological properties of slowly relaxing excitations in thin films of magnetic topological insulators," *Nature Communications* **5**, 4144 (2014).
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References
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----------
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For ultrafast magnetization dynamics:
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See the centralized :doc:`references` for full bibliographic entries:
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.. [Chico2015] J. Chico, L. E. F. Foa Torres, R. H. Barco, O. Eriksson, and A. Bergman, "Unraveling quantum critical behavior in a two-dimensional Heisenberg antiferromagnet," *Phys. Rev. B* **90**, 064425 (2014).
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- [Pereiro2014]_ - Topological properties in magnetic topological insulators
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- :doc:`input-keywords-system` (system geometry for demagnetization)
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- :doc:`input-keywords-hamiltonian` (static exchange interactions)
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- :doc:`input-core-files` (core file formats: ``posfile``, ``momfile``, etc.)
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- :doc:`input-core-files` (core file formats: ``posfile``, ``momfile``, etc.)

content/input-keywords-gneb.rst

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- :doc:`input-keywords-system` (system setup)
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- :doc:`input-keywords-hamiltonian` (magnetic interactions)
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References
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----------
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See the centralized :doc:`references` for full bibliographic entries:
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- [Bessarab2012]_ - Method for finding magnetic transition mechanisms and activation energies
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- [Bessarab2015]_ - Harmonic transition-state theory for thermal spin transitions
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- [Henkelman2000]_ - Climbing image nudged elastic band method
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- [Eyring1935]_ - Activated complex theory for chemical reactions
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content/input-keywords-hamiltonian.rst

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\mathcal{H}_{\mathrm{Tens}} = \sum_{i,j} \mathbf{e}_i \mathcal{J}_{ij} \mathbf{e}_j.
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Here, :math:`\mathcal{J}_{ij}=-J_{ij}\mathcal{I} + \mathcal{J}^S_{ij} + \mathcal{J}^A_{ij}` is a :math:`3 \times 3` tensor (in which :math:`\mathcal{I}` is the unit matrix), the trace of which is equal to the exchange constant as defined in [Udvardi2003]_.
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Here, :math:`\mathcal{J}_{ij}=-J_{ij}\mathcal{I} + \mathcal{J}^S_{ij} + \mathcal{J}^A_{ij}` is a :math:`3 \times 3` tensor (in which :math:`\mathcal{I}` is the unit matrix), the trace of which is equal to the exchange constant as defined in [Udvardi2003]_.
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References
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----------
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See the centralized :doc:`references` for full bibliographic entries:
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- [Udvardi2003]_ - First-principles relativistic study of spin waves in thin magnetic films
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.. %
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.. %\begin{equation}

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