You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
The PdosWorkChain except when dealing with a calculation were tot_magnetization is considered.
The issue is from this line self.ctx.nscf_fermi = workchain.outputs.output_parameters.dict.fermi_energy
When using tot_magnetization there are two energies fermi_energy_up and fermi_energy_down instead of fermi_energy.
This affects the rest of the logic of the workchain that only considers fermi_energy
The text was updated successfully, but these errors were encountered:
The PdosWorkChain except when dealing with a calculation were
tot_magnetization
is considered.The issue is from this line
self.ctx.nscf_fermi = workchain.outputs.output_parameters.dict.fermi_energy
When using tot_magnetization there are two energies
fermi_energy_up
andfermi_energy_down
instead of fermi_energy.This affects the rest of the logic of the workchain that only considers fermi_energy
The text was updated successfully, but these errors were encountered: