[Pw_forum] Questions about Thermal properties calculation

xirainbow nkxirainbow at gmail.com
Sun Aug 9 15:16:29 CEST 2009


Dear Bob:


>  as for my third question : the attached picture can explain.
>

It seems that QE does not arrange phonon eigenvalue according to their
symmetry.
You can deal with it by hand. For example, you can re-draw the picture in
origin or gunplot:)


____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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