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PdosWorkChain except when tot_magnetization is used #988

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AndresOrtegaGuerrero opened this issue Nov 29, 2023 · 0 comments · Fixed by #993
Closed

PdosWorkChain except when tot_magnetization is used #988

AndresOrtegaGuerrero opened this issue Nov 29, 2023 · 0 comments · Fixed by #993

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@AndresOrtegaGuerrero
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AndresOrtegaGuerrero commented Nov 29, 2023

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

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