Band Structure

[lesheng]

Hi all,

In the GW calculation, we know different k-points, but how can I know which k-point corresponds to Γ point or Χ point if I want to plot the band structure?

Thanks for all your attention,

Best,
Lesheng Li

[Daniele Varsano]

Dear Lesheng Li,
in the report file you can find the band structure of the ground state (DFT) level indicated as e.g.:

Code: Select all

*X* K [1] : 0.000000  0.000000  0.000000 (iku) * Comp.s 259 * weight  0.125000
  E -12.07289   0.00000   0.00000   0.00000   2.57608   2.57608   2.57608   3.53244
 ...
  *X* K [2] : 0.250000 -0.250000  0.250000 (iku) * Comp.s 266 * weight  0.500000
...

here you have the index [] followed by the coordinate of the k-points. From these info you can build you GW band structures.
Cheers,
Daniele