[Phonopy-users] Doubts about my results
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From: 月. <779...@qq...> - 2011-07-20 08:45:47
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Dear all: I used phonopy to calculate phonon properties of a system consisting 21 atoms using direct methods. However, I do have doubts about the results of phonon band curves. The curve is extraordinarily flat. Could this be a symbol of inaccuracy or this is indeed the correct result? The curve is drawn along the gamma to Z direction of the reciprocal lattice. (The lattice is over 30A along this direction.) Because of the size limit of the file, I cannot attach the picture to the mail. Thanks, Best regards David |