<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">Dear Prof. Giannozzi:<br>Thank you very much for your attention on my question.<br>I still have a problem about graphite phonon. I saw a lot of persons calculated that, including prof. Marzari. However, all of their calculations were based on xy-plane,<span style="font-style: italic;"> i.e.</span>, Gamma-M-K-Gamma q-path, even one of papers mentioned about calculating IFC through nk1*nk2, 2-dimensional MP grid.<br>Therefore, I am wondering that, if I calculate IFC in 2D, does QHA work on this 2D-IFC?<br><br><div>--<br>GAO Zhe<br>CMC Lab, MSE, SNU, Seoul, S.Korea<br>
</div><div id="divNeteaseMailCard"></div><br><pre><br>在 2011-10-10 14:30:52,"Paolo Giannozzi" <giannozz@democritos.it> 写道:
>
>On Oct 10, 2011, at 20:11 , Éric Germaneau wrote:
>
>> Also usually people use a supercell to compute phonon.
>
>people using linear response do not need any supercell
>
>P.
>---
>Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>Phone +39-0432-558216, fax +39-0432-558222
>
>
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