vibeqc.compute_overlap_lattice_symmetrised_with_orbits

vibeqc.compute_overlap_lattice_symmetrised_with_orbits(system, basis_name, options, *, symprec=0.0001, to_primitive=False, idealize=True, require_closed=True)

Standardise system and build orbit-compressed overlap S(g).

This is the GS3 convenience path: imported/near-symmetric structures are first cleaned with vibeqc.symmetrise(), then the basis is rebuilt on the standardised cell, and the SYM3 storage-compressed lattice matrix is built from the attached symmorphic operations.

Parameters:

• system (vibeqc._vibeqc_core.PeriodicSystem)

• basis_name (str)

• options (vibeqc._vibeqc_core.LatticeSumOptions)

• symprec (float)

• to_primitive (bool)

• idealize (bool)

• require_closed (bool)

Return type:

SymmetrisedOrbitIntegralResult