Hi Everyone, I am trying to do a band structure calculation of a 1D organic crystal. The path of the band should be * -pi/a-gamma-pi/a* as used in the previous literature. Can anyone tell me how to write the k-path from -pi/a to +pi/a via gamma point in the QE input? Also, how to choose the "nks" value for each k-points coordinate.
Any suggestion would be highly appreciated. I am attaching an image from a previous literature for a sample reference. Thank you in advance and Merry Christmas to all!!!! Rameswar Bhattacharjee Georgetown University
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