[Pw_forum] Confusion about silicon phonon dispersion along K-X path

stefano de gironcoli degironc at sissa.it
Sun Jul 9 17:42:58 CEST 2017

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


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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