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Author Topic: Phonons no of displacements  (Read 2650 times)

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Offline ams_nanolab

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Phonons no of displacements
« on: February 25, 2017, 19:58 »
Is it possible to control the number of small displacements in a phonon calculation?
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Offline Anders Blom

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Re: Phonons no of displacements
« Reply #1 on: February 26, 2017, 06:53 »
Yes and no. You can constrain some atoms, but if you want a correct dynamical matrix for the whole system, this is not a good idea.
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