[QE-users] Query about high symmetry path.

[Manoar Hossain]

Hi Poonam,

You can use XCrySDen to find the high symmetry k-points.
http://www.xcrysden.org/

Regards,

On Thu, May 20, 2021 at 5:18 PM Poonam Kaushik <poonamkaushik40 at gmail.com>
wrote:

> Dear Sir,
> This is true but how do I know like gamma point is at 000 but
> rest coordinate how to find that is the question.
>
> Thanks and regards,
> Poonam Sharma
>
>
>
>
>
> -------------------------------------------------------------------------------------------------
> Poonam Sharma
> Research Scholar
> Department of Physics
> Indian Institute of Technology Bombay
> Mumbai - 400076
> India.
>
>
>
> On Wed, May 19, 2021 at 7:14 PM Poonam Kaushik <poonamkaushik40 at gmail.com>
> wrote:
>
>> Dear all,
>> I have one query about the high symmetry path for plotting the band
>> structure. From the CIF file, I can calculate the high symmetry path of any
>> material, but in previous research papers if saw the high symmetry path it
>> is different from my one. So for the matching purpose that my band
>> structure is also correct, how can I obtained the same path as mentioned in
>> the literature.
>> Also, I observed on ' Material Cloud'  the band structure of the same
>> material as I want, I downloaded the CIF file from there but the high
>> symmetry path is coming different as they mention (on the Material Cloud).
>> I'll be very thankful if someone suggests me something about this.
>>
>> Thanks and regards,
>> Poonam Sharma
>>
>>
>>
>>
>>
>> -------------------------------------------------------------------------------------------------
>> Poonam Sharma
>> Research Scholar
>> Department of Physics
>> Indian Institute of Technology Bombay
>> Mumbai - 400076
>> India.
>>
>> _______________________________________________
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-- 
Manoar Hossain
Research Scholar
School of Physical Sciences
National Institute of Science Education and Research (NISER)
Bhubaneswar, Jatni, Khurda, Odisha, 752050, INDIA
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