Question about high symmetry points for HSE band calculation

AMSET
1

Dear Sir,
I have a question, I know the high symmetry points for HSE band calcultion aiming to obtain accurate band gapi.e., high symmetry points for MoS2 bulk are listed blew
Mo S2
1.0
3.1500000954 0.0000000000 0.0000000000
-1.5750000477 2.7279801045 0.0000000000
0.0000000000 0.0000000000 12.3000001907
Mo S
2 4
Direct
0.333333343 0.666666687 0.250000000
0.666666627 0.333333313 0.750000000
0.333333343 0.666666687 0.620999992
0.666666627 0.333333313 0.379000008
0.666666627 0.333333313 0.120999992
0.333333343 0.666666687 0.879000008

K-Path Generated by VASPKIT.
20
Line-Mode
Reciprocal
0.0000000000 0.0000000000 0.0000000000 GAMMA
0.5000000000 0.0000000000 0.0000000000 M

0.5000000000 0.0000000000 0.0000000000 M
0.3333333333 0.3333333333 0.0000000000 K

0.3333333333 0.3333333333 0.0000000000 K
0.0000000000 0.0000000000 0.0000000000 GAMMA

0.0000000000 0.0000000000 0.0000000000 GAMMA
0.0000000000 0.0000000000 0.5000000000 A

0.0000000000 0.0000000000 0.5000000000 A
0.5000000000 0.0000000000 0.5000000000 L

0.5000000000 0.0000000000 0.5000000000 L
0.3333333333 0.3333333333 0.5000000000 H

0.3333333333 0.3333333333 0.5000000000 H
0.0000000000 0.0000000000 0.5000000000 A

0.5000000000 0.0000000000 0.5000000000 L
0.5000000000 0.0000000000 0.0000000000 M

0.3333333333 0.3333333333 0.5000000000 H
0.3333333333 0.3333333333 0.0000000000 K

what if the high symmetry points for orthogonal cell of MoS2 bulk?
MoS2bulkrec
1.0
5.4559998512 0.0000000000 0.0000000000
0.0000000000 3.1500000954 0.0000000000
0.0000000000 0.0000000000 12.3000001907
Mo S
4 8
Direct
0.166669995 0.500000000 0.250000000
0.666670024 0.000000000 0.250000000
0.333330005 0.000000000 0.750000000
0.833329976 0.500000000 0.750000000
0.166669995 0.500000000 0.620999992
0.666670024 0.000000000 0.620999992
0.333330005 0.000000000 0.120999999
0.833329976 0.500000000 0.120999999
0.333330005 0.000000000 0.379000008
0.833329976 0.500000000 0.379000008
0.166669995 0.500000000 0.879000008
0.666670024 0.000000000 0.879000008
How should I set the high symmetry points for HSE band calculation in the orthogonal cell for settings in AMSET?

2

All AMSET needs is a uniform mesh. It does not need to go exactly though all high symmetry points (the mesh is automatically interpolated). However, you should test multiple DFT k-point meshes to make sure your results are converged.

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