G0W0 spectral functionΒΆ

This examples shows how to plot the G0W0 spectral functions A(w) at the gamma point. See also lesson tgw2_4

  • ../_images/sphx_glr_plot_gw_spectral_functions_001.png
  • ../_images/sphx_glr_plot_gw_spectral_functions_002.png

Out:

/Users/gmatteo/git_repos/pymatgen/pymatgen/util/plotting.py:550: UserWarning: Matplotlib is currently using agg, which is a non-GUI backend, so cannot show the figure.
  plt.show()
/Users/gmatteo/git_repos/pymatgen/pymatgen/util/plotting.py:550: UserWarning: Matplotlib is currently using agg, which is a non-GUI backend, so cannot show the figure.
  plt.show()

import abipy.data as abidata
from abipy.abilab import abiopen

# Open the file with the GW results
sigres = abiopen(abidata.ref_file("al_g0w0_sigmaw_SIGRES.nc"))

# Plot A(w) for the first spin, the gamma point, and all bands
sigres.plot_spectral_functions()

# Only bands in [0, 1, 2]
sigres.plot_spectral_functions(spin=0, kpoint=(0, 0, 0), include_bands=range(0, 3))

sigres.close()

Total running time of the script: ( 0 minutes 0.651 seconds)

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