[Phonopy-users] anime tag
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From: 李亦然 <yr...@im...> - 2016-04-18 08:22:07
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Dear all, In the phonopy manual, it says The format of "ANIME" tag was ANIME = 0.5 0.5 0 (For v_sim) The values are the q-point to be calculated. ANIME = 4 5 20 0.5 0.5 0 (For the other animation formats) Phonon is only calculated at Gamma point. So q-point is not necessary to be set. What does the "4 5 20" mean? And if only the Gamma point is calculated, why it is still "0.5 0.5 0" rather than "0 0 0 "? Thank you very much. Yiran Li |