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Copy file name to clipboardExpand all lines: tutorials/grueneisen_workflow.ipynb
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{
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"cells": [
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"cell_type": "markdown",
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"id": "0",
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"metadata": {},
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"This first part is only needed as we have to mock VASP here as we cannot run it directly in a jupyter notebook:"
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]
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").make(structure=si_structure)"
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]
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},
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"cell_type": "markdown",
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"id": "8",
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"The Grüneisen parameter workflow will perform 3 different phonon runs at 3 different volumes at and around the equilibrium to compute the mode Grüneisen values."
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"flow.draw_graph().show()"
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]
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"We now run the flow with `run_locally`. We mock the run here. Normally, you would simply use `run_locally` without the `with mock_vasp`"
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