[QE-users] [External Email] Re: Query about high symmetry path.

[Hari Paudyal]

Hi Poonam,

Can you share the link of the paper you are referring to? Also please
include your band plot and the coordinates of the high symmetry points.

Best,
Hari Paudyal
SUNY Binghamton University

On Thu, May 20, 2021 at 8:05 AM Manoar Hossain <manoarphy at niser.ac.in>
wrote:

> 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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