how to plot spectral function Akw when using Wannier90Converter

[Jerrytom027]

Hi,

When I used the Wien2kConverter previously, I could plot the spectral function using the SumkDFTTools.spaghettis feature and compare it with the bands calculated by Wien2k. However, when using the Wannier90Converter, the bands_data is absent in the .h5 file. If I employ SumkDFTTools.gen_Akw instead, the k-points in the generated Akw do not follow a k-path, making it impossible to directly compare with the band.dat obtained from Wannier90. How should I proceed to plot the spectral function under these circumstances?

Thanks in advance for any advice!

Regards,
Lee

[phibeck]

Hi Lee,

indeed, historically the postprocessing tools in SumkDFTTools were mostly written for Wien2k. Working with Wannier90 on the hand has many benefits wrt postprocessing, as Hamiltonian and other quantities can easily be interpolated to any kpoint mesh.

A wrapper tool to do that is described in the "Plotting the spectral function" tutorial (https://triqs.github.io/solid_dmft/tutorials/correlated_bandstructure/plot_correlated_bands.html) in TRIQS/solid_dmft. If you prefer to do it by hand, you can check the documentation (https://github.com/TRIQS/solid_dmft/blob/3.3.x/python/solid_dmft/postprocessing/plot_correlated_bands.py) how to use the internal TRIQS functions to manually plot the spectral function.

Let me know if there are further questions.

Best,
Sophie