DOS of 8 atoms Si is wrong

[Luc1anoo]

Describe the bug

DOS of 8 atoms Si is wrong. Then the following attempts were made: 1. Increase the k point density in scf and nscf (up to 40 40 40) 2. Adjust dos_sigma parameters (0.05,0.07,0.1,0.2) 3. 4. Adjust the smearing_method parameter (0.0037,0.015). The results of the above attempts are basically similar to the following figure, and there is a hump in the center of the band gap.

Expected behavior

No response

To Reproduce

ABACUS version: 3.6.0 Si-dos.zip

Environment

No response

Additional Context

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[Luc1anoo]

The cause of the error has been found: I mistakenly used the STRU file of Graphene instead of the Si, and at the same time did not upload the STRU file in Si-dos.zip. The STRU I used: ATOMIC_SPECIES C 12.011 C_ONCV_PBE-1.0.upf upf201

NUMERICAL_ORBITAL C_gga_8au_100Ry_2s2p1d.orb

LATTICE_CONSTANT 1.8897259886

LATTICE_VECTORS 2.4677236000 0.0000000000 0.0000000000 #latvec1 -1.2338618000 2.1371113000 0.0000000000 #latvec2 0.0000000000 0.0000000000 15.0000000000 #latvec3

ATOMIC_POSITIONS Direct

C #label 0 #magnetism 2 #number of atoms 0.0000000000 0.0000000000 0.2500000000 m 1 1 1 0.6666666700 0.3333333300 0.2500000000 m 1 1 1