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Did any one calculate phonon dispersion of InAs?

Posted: Mon Apr 20, 2009 2:13 am
by LM
Hello,

I did the phonon dispersion calculation of InAs using supercell method. However, at ambient pressure, the optical phonon close to zone center show very different from experimental one. At high pressure, the accoustical phonon close to zone edge show negative.

If any one has some experience on this, your suggestion will be very appreciated.

Thanks!

Re: Did any one calculate phonon dispersion of InAs?

Posted: Wed Sep 11, 2024 2:00 pm
by support_vasp

Hi,

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