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<div>Dear Xiaodong:
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Could you have paid attention to the coordinations that were chosen by you and the code? Maybe they are different(x-y coordination or reciprocal lattice vector coordination). If you haven't, you can transform between
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them with the transformation matrix that can be found in the pw.x output file.
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Best Wishes!
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Yours Sincerely
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L.F.Huang
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L.F.Huang(黄良锋) <A href=mailto:lfhuang@theory.issp.ac.cn>lfhuang@theory.issp.ac.cn</A>
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Add: Research Laboratory for Computational Materials Sciences,
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Instutue of Solid State Physics,the Chinese Academy of Sciences,
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P.O.Box 1129, Hefei 230031, P.R.China
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Tel: 86-551-5591464-328(office)
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Fax: 86-551-5591434
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Web: <A href=http://theory.issp.ac.cn target=_blank>http://theory.issp.ac.cn</A</FONT><FONT color=#444444>> (website of our theory group)
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<A href=http://www.issp.ac.cn target=_blank>http://www.issp.ac.cn</A</FONT><FONT color=#444444>> (website of our institute)
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<BR>
</FONT><FONT color=#444444>> From: "Wenxiaodong"
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</FONT><FONT color=#444444>> Subject: [Pw_forum] some trouble in Phonon dispersion calculation
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</FONT><FONT color=#444444>> To: "pw_forum"
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</FONT><FONT color=#444444>> Message-ID:
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</FONT><FONT color=#444444>> Content-Type: text/plain; charset="gb2312"
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> Dear everybody
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</FONT><FONT color=#444444>> Recently, I did a phonon dispersion calculation using PWscf. However, I can not obtain smooth phonon dispersion. That is to say, the phonon dispersion looks like zigzag shape. For making sure, I tried to use the example 07 (in PWscf), while there are same phenomena for phonon dispersion. By the way, I used the plotband.x to handle data.
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</FONT><FONT color=#444444>> If you have some experience about this, could you tell me the reasons? I will very very appreciate you!
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</FONT><FONT color=#444444>> Best
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</FONT><FONT color=#444444>> Xiaodong
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------
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