Correct the fermi energy output. The bands output of fleur is shifted…

… to ef=0.0

aiida_common_workflows/workflows/bands/fleur/generator.py

@@ -38,6 +38,7 @@ def _construct_builder(self, **kwargs) -> engine.ProcessBuilder:
             raise ValueError('The `parent_folder` has not been created by a FleurCalculation')
         builder_parent = parent_folder.creator.get_builder_restart()
 
+        #Transfer inputs from the parent calculation
         builder = self.process_class.get_builder()
         builder.options = orm.Dict(dict=builder_parent.metadata.options)
         builder.fleur = builder_parent.code
@@ -48,6 +49,7 @@ def _construct_builder(self, **kwargs) -> engine.ProcessBuilder:
         builder.kpoints = bands_kpoints
         builder.remote = parent_folder
 
+        #Add inputs from engines if given
         if engines:
             try:
                 band_engines = engines['bands']

aiida_common_workflows/workflows/bands/fleur/workchain.py

@@ -10,12 +10,6 @@
 __all__ = ('FleurCommonBandsWorkChain',)
 
 
-@calcfunction
-def get_fermi_energy(pardict):
-    """Extract the Fermi energy from the `output_parameters` dictionary"""
-    return Float(pardict['fermi_energy_scf'])
-
-
 class FleurCommonBandsWorkChain(CommonBandsWorkChain):
     """Implementation of `aiida_common_workflows.common.bands.workchain.CommonBandsWorkChain` for Fleur."""
 
@@ -29,6 +23,7 @@ def convert_outputs(self):
             self.report('FleurBandDOSWorkChain concluded without returning bands!')
             return self.exit_codes.ERROR_SUB_PROCESS_FAILED
 
-        self.out('fermi_energy', get_fermi_energy(self.ctx.workchain.outputs.output_banddos_wc_para))
+        #The bands output of fleur is shifted to have the fermi energy at zero
+        self.out('fermi_energy', Float(0.0))
 
         self.out('bands', self.ctx.workchain.outputs['output_banddos_wc_bands'])