[QE-users] Band structure calculation

[Rameswar Bhattacharjee]

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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