Coordinate in the cif file are likely in "crystal" units. Hard to tell more without more information
kind regards -- Lorenzo Paulatto - Paris On May 19 2021, at 3:44 pm, Poonam Kaushik <poonamkaushi...@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. > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
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