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!
Did any one calculate phonon dispersion of InAs?
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LM
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Did any one calculate phonon dispersion of InAs?
Last edited by LM on Mon Apr 20, 2009 2:13 am, edited 1 time in total.
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support_vasp
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Re: Did any one calculate phonon dispersion of InAs?
Hi,
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