Re: [Phonopy-users] Distance between coordinates in bandstructure

[<sba...@un...>]

Dear Togo,

Thank you for your answer. Actually, I need the same band path to  
compare my band structure with literature. I solved the problem by  
looking in to the previous posts. I used bandplot and implemented  
--segment_scales to have the exact distance between the band segments.

Thanks & Regards,
Subbu


Quoting Atsushi Togo <atz...@gm...>:

> You should look for symmetrically equivalent point of (0 1/2 1/2)
> closest to (3/8 3/4 3/8). If you have to cross the Brillouin zone,
> then you may need to use "," to jump between adjacent Brillouin zones.
>
> Togo
>
> On Thu, Jan 28, 2016 at 3:04 PM,  <sba...@un...> wrote:
>>
>> Hello Phonopy users,
>>
>> I am new to phonopy. I am trying to plot band structure by using the
>> following band.conf file
>>
>> DIM = 3 3 3
>> BAND = 0 0 0  0 1/2 1/2  3/8 3/4 3/8  0 0 0  1/2 1/2 1/2
>> BAND_LABELS = \Gamma  X  K  \Gamma  L
>> BAND_POINTS = 301
>>
>> The distance between X and K points must be small in the band structure. But
>> it seems it is not. I attached the picture. How can I manipulate the
>> distances between coordinates? Please let me know.
>>
>> Thanks & Regards,
>> Subbu
>>
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>
>
>
> --
> Atsushi Togo
> Elements Strategy Initiative for Structural Materials, Kyoto university
> E-mail: atz...@gm...
>
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