[Pw_forum] why K-X point of phonon dispersion is wrong?
lucking-pine
songsong19840614 at gmail.com
Fri May 6 12:50:16 CEST 2011
My pwscf is used in calculating Si phonon dispersion.The trend of picture in
most special Symmetry is right.But the only K-X is wrong.I use Xcrysden to
get K-point.
I found most paper is dash line in 'K' point.So what is mean? Please anyone
could tell me! Thanks!
The attachment is my picture and reference paper.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110506/406d1e3a/attachment-0001.htm
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Sipwscf.jpg
Type: image/jpeg
Size: 80454 bytes
Desc: not available
Url : http://www.democritos.it/pipermail/pw_forum/attachments/20110506/406d1e3a/attachment-0002.jpg
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Sipaper.jpg
Type: image/jpeg
Size: 33282 bytes
Desc: not available
Url : http://www.democritos.it/pipermail/pw_forum/attachments/20110506/406d1e3a/attachment-0003.jpg
More information about the Pw_forum
mailing list