:py:mod:`aiida_vasp.utils.compare_bands` ======================================== .. py:module:: aiida_vasp.utils.compare_bands .. autodoc2-docstring:: aiida_vasp.utils.compare_bands :allowtitles: Module Contents --------------- Functions ~~~~~~~~~ .. list-table:: :class: autosummary longtable :align: left * - :py:obj:`_firstspin ` - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands._firstspin :summary: * - :py:obj:`make_reference_bands_inline ` - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.make_reference_bands_inline :summary: * - :py:obj:`get_outer_window ` - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.get_outer_window :summary: * - :py:obj:`band_gap ` - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.band_gap :summary: * - :py:obj:`band_error ` - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.band_error :summary: * - :py:obj:`bands_error ` - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.bands_error :summary: * - :py:obj:`compare_bands ` - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.compare_bands :summary: * - :py:obj:`compare_from_window_wf ` - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.compare_from_window_wf :summary: * - :py:obj:`plot_errors_vs_iwsize ` - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.plot_errors_vs_iwsize :summary: * - :py:obj:`get_band_properties_from_data ` - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.get_band_properties_from_data :summary: * - :py:obj:`get_band_properties ` - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.get_band_properties :summary: Data ~~~~ .. list-table:: :class: autosummary longtable :align: left * - :py:obj:`BANDS_CLS ` - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.BANDS_CLS :summary: API ~~~ .. py:data:: BANDS_CLS :canonical: aiida_vasp.utils.compare_bands.BANDS_CLS :value: 'DataFactory(...)' .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.BANDS_CLS .. py:function:: _firstspin(bands) :canonical: aiida_vasp.utils.compare_bands._firstspin .. autodoc2-docstring:: aiida_vasp.utils.compare_bands._firstspin .. py:function:: make_reference_bands_inline(wannier_bands, vasp_bands, efermi=None) :canonical: aiida_vasp.utils.compare_bands.make_reference_bands_inline .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.make_reference_bands_inline .. py:function:: get_outer_window(bands_node, silent=False) :canonical: aiida_vasp.utils.compare_bands.get_outer_window .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.get_outer_window .. py:function:: band_gap(bands, occ, efermi=None) :canonical: aiida_vasp.utils.compare_bands.band_gap .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.band_gap .. py:function:: band_error(band1, band2) :canonical: aiida_vasp.utils.compare_bands.band_error .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.band_error .. py:function:: bands_error(bands1, bands2) :canonical: aiida_vasp.utils.compare_bands.bands_error .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.bands_error .. py:function:: compare_bands(vasp_bands, wannier_bands_list, plot_folder=None) :canonical: aiida_vasp.utils.compare_bands.compare_bands .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.compare_bands .. py:function:: compare_from_window_wf(workflow, **kwargs) :canonical: aiida_vasp.utils.compare_bands.compare_from_window_wf .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.compare_from_window_wf .. py:function:: plot_errors_vs_iwsize(comparison_info) :canonical: aiida_vasp.utils.compare_bands.plot_errors_vs_iwsize .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.plot_errors_vs_iwsize .. py:function:: get_band_properties_from_data(bandsdata) :canonical: aiida_vasp.utils.compare_bands.get_band_properties_from_data .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.get_band_properties_from_data .. py:function:: get_band_properties(eigenvalues, occupations) :canonical: aiida_vasp.utils.compare_bands.get_band_properties .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.get_band_properties