[Pw_forum] Selection of K point for band structure calculation

[Mohammed Ghadiyali]

Hi,


You can use cif2qe script available in Quantum ESPRESSO (QE) at the location QE_folder/PW/tools/ to convert your cif files to QE input.

Or if you know what is the crystal system, then you can use the paper link below to get the kpoints for band structure calculations.


Paper: https://arxiv.org/abs/1004.2974



Regards,

Ghadiyali Mohammed Kader,

Research Scholar,

Dept. of Physics,

University of Mumbai.
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