the confusion comes from the fact that in the picture you linked
U and K are defined as different points but they are actually the same
point.
stefano
On 09/07/2017 17:42, stefano de gironcoli wrote:
dear balabi,
if you take the sigma line, (xi,xi,0), when xi=0.75 you are at the K point
if you keep going along (xi,xi,0) until xi=1.0 you get to (1,1,0)
which is the same as
X=(0,0,1) because (1,1,-1) is a G vector for the fcc
HTH
stefano
On 09/07/2017 17:23, balabi wrote:
Dear nicola,
Thank you so much for your reply. But I don't understand.
According to wikipedia's picture, the only Γ - K - X path that I
can see is like this
https://pasteboard.co/GA9vm6Q.png
I can not see any other possibility. Would you please show me
what is the other possible path for Γ - K - X in a picture? Thank
you so much.
And I do the phonon dispersion calculation using q_in_band_form
for matdyn.x, k path labels are default. I thought this is standard.
best regards
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