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

[stefano de gironcoli]

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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