diff --git a/emmet-core/emmet/core/electronic_structure.py b/emmet-core/emmet/core/electronic_structure.py index 30523e0122..41b5b57e0e 100644 --- a/emmet-core/emmet/core/electronic_structure.py +++ b/emmet-core/emmet/core/electronic_structure.py @@ -460,7 +460,6 @@ def from_bsdos( # type: ignore[override] summary_efermi = bs_entry.setyawan_curtarolo.efermi # type: ignore is_gap_direct = bs_entry.setyawan_curtarolo.is_gap_direct # type: ignore is_metal = bs_entry.setyawan_curtarolo.is_metal # type: ignore - summary_magnetic_ordering = bs_entry.setyawan_curtarolo.magnetic_ordering # type: ignore for origin in origins: if origin["name"] == "setyawan_curtarolo": @@ -473,7 +472,6 @@ def from_bsdos( # type: ignore[override] summary_cbm = dos_cbm summary_vbm = dos_vbm summary_efermi = dos_efermi - summary_magnetic_ordering = dos_mag_ordering is_metal = True if np.isclose(dos_gap, 0.0, atol=0.01, rtol=0) else False for origin in origins: @@ -487,10 +485,16 @@ def from_bsdos( # type: ignore[override] origin["last_updated"] = new_origin_last_updated origin["task_id"] = new_origin_task_id + summary_magnetic_ordering = CollinearMagneticStructureAnalyzer( + kwargs["meta_structure"], + round_magmoms=True, + threshold_nonmag=0.2, + threshold=0, + ).ordering + return cls.from_structure( material_id=MPID(material_id), task_id=summary_task, - meta_structure=structure, band_gap=summary_band_gap, cbm=summary_cbm, vbm=summary_vbm,