aiidateam / aiida-wannier90-workflows

A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
http://aiida-wannier90-workflows.readthedocs.io/
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Allow shifting bands plot with different Fermi energies #41

Closed qiaojunfeng closed 7 months ago

qiaojunfeng commented 7 months ago

Useful for comparing two band structures computed with different pseudopotentials (thus the Fermi energies can be different). For instance,

from aiida_wannier90_workflows.utils.workflows.plot.bands import get_mpl_code_for_workchains

mpl_code = get_mpl_code_for_workchains(workchain_sssp, workchain_dojo, shift_fermi=True)

will shift the two Fermi energies to 0, so that the two bands overlap each other.