Discrepancy between gamma_only=1 and gamma_only =0 with k-111

[maki49]

Describe the bug

See the logs in the .zip file. "gamma" means gamma_only 1 in INPUT file, while "k111" means gamma_only 0 with such a KPT file:

K_POINTS
0
Gamma
1 1 1 0 0 0

1Si-spin2.zip (An nspin=2 case with smearing_sigma=1e-20 provided in https://github.com/deepmodeling/abacus-develop/issues/2853 )

[hongriTianqi]

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[hongriTianqi]

@maki49 What's the discrepancy?

[maki49]

@maki49 What's the discrepancy? gamma_only can get converged but k-111 cannot, as the logs in the .zip file shows.

[WHUweiqingzhou]

We tried v3.7.5, and found the result from gamma_only and k-111 is same.