The ABINIT Users Mailing List ( CLOSED )

[Matteo Giantomassi <gmatteo@pcpm.ucl.ac.be>]

  Dear Zheng,

  Calculating a GW band structure is not as straightforward
  as a Kohn-Sham band structure.
  First of all, one can obtain the GW quasiparticle corrections only at
  the irreducible k-points contained in the KSS file.
  This implies that plotting the GW band structure along an
  arbitrary path in k-space, as usually done in case of a Kohn-Sham 
calculation,
  is a cumbersome calculation.

  Fortunately the GW corrections are usually linear as a function of the
  KS energy. This means that it's possible to obtain a reasonable GW band
  structure by just interpolating the quasiparticle energies calculated at
  few k-points placed along the chosen k-path

  This technique is described in section 9 of the first GW lesson:
  http://www.abinit.org/Infos_v5.4/tutorial/lesson_gw1.html#9

  Best Regards,
  Matteo Giantomassi

> Dear all
> I want to plot Quasiparticle  GW and Kohn-Sham LDA band structures,the 
> Kohn-Sham
> LDA band structures can be plot learn from Tutorial/lesson_3.html#35 to 
> computing
> the band structure, But I don't know how to plot a Quasiparticle  GW band
> structures with the same K-point circuit. all the Gw tutorial are only deal 
> withe
> Gamma point. Can anybody give me a sample. Thanks to all.
>
> Y.P.Zheng