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Author Topic: the method of calculating the phonon  (Read 6223 times)

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Offline Roc

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the method of calculating the phonon
« on: January 22, 2014, 10:01 »
Dear Sir,
     I want to know the method of calculating the phonon band, DOS, and phonon transmission spectrum for ATK-DFT and ATK-Classical calculators,  Direct method(namely  frozen-phonon), or DFPT method?   Thank u.

Roc.
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Offline Anders Blom

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Re: the method of calculating the phonon
« Reply #1 on: January 22, 2014, 16:26 »
Frozen phonons
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