mirror of https://github.com/phonopy/phonopy.git
19 lines
553 B
ReStructuredText
19 lines
553 B
ReStructuredText
.. _workflow:
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Work flow
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Work flow of phonopy is shown schematically. There are two ways to
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calculate, (1) atomic forces from finite displacements and (2) given
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force constants. You can choose one of them. Forces on atoms or force
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constants are calculated by your favorite calculator (shown by the
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diamonds in the work flow). The boxes are jobs being done by phonopy,
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and the circles are input and intermediate output data structures.
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.. figure:: procedure.png
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:scale: 65
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:align: center
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Work flow of phonon calculation
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