[QE-users] Query about high symmetry path.
Poonam Kaushik
poonamkaushik40 at gmail.com
Wed May 19 15:44:11 CEST 2021
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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