SCIF Export

find_spin_group(...) can generate SCIF text from the full result.

to_scif(...)

result.to_scif(cell_mode="ssg_convention_oriented") -> str

Parameters

cell_mode Selects the cell and spin-frame convention used by the generated SCIF text.

Returns

Returns SCIF text as a string.

Default Export

from findspingroup import example_path, find_spin_group

result = find_spin_group(example_path("0.800_MnTe.mcif"))

scif_text = result.scif
assert scif_text == result.to_scif(cell_mode="ssg_convention_oriented")

Cell Modes

ssg_convention_oriented Default public OSSG convention output.

ssg_convention_cartesian Public OSSG convention output with Cartesian spin components.

database_standard_oriented Selected raw database-standard setting with spin components tied to the emitted lattice basis.

database_standard_cartesian Selected raw database-standard setting with Cartesian spin components.

magnetic_primitive_oriented ACC magnetic primitive-cell output with spin components tied to the emitted lattice basis.

magnetic_primitive_cartesian ACC magnetic primitive-cell output with Cartesian spin components.

input_oriented Direct input-cell identified output with spin components tied to the input lattice basis.

input_cartesian Direct input-cell identified output with Cartesian spin components.

Legacy Aliases

database_standard Alias for database_standard_oriented.

magnetic_primitive Alias for magnetic_primitive_oriented.

input_identified Alias for input_oriented.

There is no separate input SCIF mode.

Database-Standard Output

database_standard_* writes operations in the selected SSG database-standard setting before final-convention canonicalization.

Non-type-k results use the raw G0std setting.

Type-k results use the raw L0std setting.

Generated SCIF text records the emitted real-space basis and spin-frame convention with repo-local _space_group_spin.fsg_* tags.