Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Four CWFs for the case (b): isovalues of ± 0.04 (orange:0.04, blue:-0.04)

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Four CWFs for the case (b): isovalues of ± 0.04 (orange:0.04, blue:-0.04)

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Seven CWFs for the case (b): isovalues of ± 0.04 (orange:0.04, blue:-0.04). The first four and the last three are CWFs on Ga and As sites, respectively.

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Four CWFs: isovalues of ± 0.04 (orange:0.04, blue:-0.04). The first and the last three are CWFs on Na and Cl atoms, respectively.

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Five CWFs for the case (a): isovalues of ± 0.04 (orange:0.04, blue:-0.04)

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Four CWFs: isovalues of ± 0.04 (orange:0.04, blue:-0.04)

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Four CWFs for the case (b): isovalues of ± 0.04 (orange:0.04, blue:-0.04)

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Five CWFs for the up-spin states in the case (a): isovalues of ± 0.04 (orange:0.04, blue:-0.04)

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Eight CWFs for the up-spin states in the case (a): isovalues of ± 0.04 (orange:0.04, blue:-0.04). The first five and the last three are CWFs on Ni and O sites, respectively.

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Four CWFs: isovalues of ± 0.05 (orange:0.05, blue:-0.05)

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Nine CWFs for the case (b): isovalues of ± 0.04 (orange:0.04, blue:-0.04). The first six and the last three are CWFs on Mo and S sites, respectively.

TB matrix elements

Wannier interpolated bands (red lines in (a) and red circles in (b)). The solid line is the original one directly calculated by the conventional scheme.

Three CWFs for the case (b): isovalues of ± 0.025 (orange:0.025, blue:-0.025)

TB matrix elements

Wannier interpolated bands (red lines in (a) and red circles in (b)). The solid line is the original one directly calculated by the conventional scheme.

Two CWFs for the case (b): isovalues of ± 0.04 (orange:0.04, blue:-0.04)

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original ones directly calculated by the conventional scheme.

Twelve CWFs for the case (b): isovalues of ± 0.045, where orange: 0.045 and blue:-0.045 for the α-spin component, red: 0.045 and green:-0.045 for the β-spin component. The first and last sixes are CWFs on a Bi and Se sites, respectively.

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original ones directly calculated by the conventional scheme.

Eighteen CWFs on the Fe site for the case (a): isovalues of ± 0.04, where orange: 0.04 and blue:-0.04 for the α-spin component, red: 0.04 and green:-0.04 for the β-spin component.

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original ones directly calculated by the conventional scheme.

Eighteen CWFs for the case (b): isovalues of ± 0.04, where orange: 0.04 and blue:-0.04 for the α-spin component, red: 0.04 and green:-0.04 for the β-spin component. The first, second, and third rows correspond to CWFs on a Bi, Te, and I sites, respectively.

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Four CWFs: isovalues of ± 0.04 (orange:0.04, blue:-0.04).

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Four CWFs: isovalues of ± 0.08 (orange:0.08, blue:-0.08).

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original ones directly calculated by the conventional scheme.

Two CWFs for the case (b): isovalues of ± 0.04 (orange:0.04, blue:-0.04)

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original ones directly calculated by the conventional scheme.

Five CWFs: isovalues of ± 0.08 (orange:0.08, blue:-0.08)

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Ten CWFs for the up spin states: isovalues of ± 0.06 (orange:0.06, blue:-0.06). The first and second rows correspond to CWFs on a carbon atom and vanadium atom, respectively.

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Two CWFs for the up-spin states in the case (b): isovalues of ± 0.03 (orange:0.03, blue:-0.03)

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Five CWFs for the case (b): isovalues of ± 0.06 (orange:0.06, blue:-0.06)

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Nine CWFs for the case (b): isovalues of ± 0.04 (orange:0.04, blue:-0.04). The first and second rows correspond to CWFs on Ti and O sites, respectively.

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Seven CWFs: isovalues of ± 0.04 (orange:0.04, blue:-0.04). The first six and the last one correspond to CWFs on Y and H sites, respectively.

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Twelve CWFs: isovalues of ± 0.04 (orange:0.04, blue:-0.04). The first six and the last six correspond to CWFs on Hf and W sites, respectively.

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Twenty-one CWFs: isovalues of ± 0.06 (orange:0.06, blue:-0.06). The first, and the second and third rows correspond to CWFs on Co and Nd sites, respectively.

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Seven CWFs for the case (b): isovalues of ± 0.1 (orange:0.1, blue:-0.1).

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Five CWFs for the case: isovalues of ± 0.04 (orange:0.04, blue:-0.04).

TB matrix elements

Wannier interpolated bands (red circles). The solid line is the original one directly calculated by the conventional scheme.

Nine CWFs for the case: isovalues of ± 0.04 (orange:0.04, blue:-0.04). The first, second, and third rows correspond to CWFs on a Na, B, and F sites, respectively.

TB matrix elements