[Pw_forum] phonon freqencies at single k point

W. YU yuwen_66 at yahoo.com
Wed Dec 15 12:10:53 CET 2004


Dear pwscf users,

I calculated phonon freqencies at three different k
points 001, 100 and 010 which should be the X point
for a simple cubic structure. The results are
different, but if I calculate the dispersion curves
from Gamma to X, the three kinds of X point settings
give the same result. I hope to know why they are
different when I do single k point calculation
seprately.

W. Yu 

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