44 lines
848 B
ReStructuredText
44 lines
848 B
ReStructuredText
.. _relax_tut:
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Structural Relaxation Tutorials
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===============================
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We now turn to structural relaxation, covering both atomic relaxation
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and simulation cell relaxation.
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.. _relax_lbfgs:
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Atomic relaxation: lbfgs
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------------------------
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* Parameters that are needed
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* The output
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* Files in ``Structural_relaxation_1``
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.. _relax_cg:
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Atomic relaxation: Conjugate gradients
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--------------------------------------
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* Parameters that are needed
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* The output
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* Files in ``Structural_relaxation_2``
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.. _relax_qmd:
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Atomic relaxation: Quenched MD
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------------------------------
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* Parameters that are needed
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* The output
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* Files in ``Structural_relaxation_3``
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.. _relax_cell_cg:
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Cell relaxation: Conjugate gradients
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------------------------------------
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* Parameters that are needed
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* The output
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* Files in ``Structural_relaxation_4``
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