Dear Prof. Giannozzi: Thank you very much for your attention on my question. 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, i.e., Gamma-M-K-Gamma q-path, even one of papers mentioned about calculating IFC through nk1*nk2, 2-dimensional MP grid. Therefore, I am wondering that, if I calculate IFC in 2D, does QHA work on this 2D-IFC?
-- GAO Zhe CMC Lab, MSE, SNU, Seoul, S.Korea ? 2011-10-10 14:30:52?"Paolo Giannozzi" <giannozz at democritos.it> ??? > >On Oct 10, 2011, at 20:11 , ?ric 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 > > > > >_______________________________________________ >Pw_forum mailing list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111010/1f24e7b2/attachment-0001.htm