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Author Topic: Problem in running phonon bandstructure  (Read 3007 times)

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Offline Sabyasachi Sen

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Problem in running phonon bandstructure
« on: November 25, 2017, 12:01 »
I am facing repetitive problem in running the attached phonon band structure run, kindly suggest where to improve.
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Offline Petr Khomyakov

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Re: Problem in running phonon bandstructure
« Reply #1 on: November 25, 2017, 15:24 »
You have to set a Calculator, e.g., ATK DFT or ATK Force Field, as there is no calculator in your script, so ATK does not know what method and parameters to use for phonon calculations.
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