Daily PW test failed at 20240912

[pxlxingliang]

Describe the Testing Issue

At 20240912, the daily PW test failed for the accuracy.

A link of intel-dav test is: https://app.bohrium.dp.tech/abacustest/?request=GET%3A%2Fapplications%2Fabacustest%2Fjobs%2Fsched-abacustest-intel-dav-14d47e

Several examples have large different on STRESS.

Additional Context

No response

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[maki49]

This may result from the change of the irreducible k-points in #5063 (comment).

[pxlxingliang]

I have tested on 000 by latest several commits, it is introduced by commit bd0e6a6.
A large different is in stress which has a deviation of about 0.02 kbar.

                     total_time  converge  normal_end  ibzk ks_solver  \
43f32d4a/000_4GaAs      21.4041      True        True    20       dav   
8f86cadb/000_4GaAs      20.1777      True        True    20       dav   
bd0e6a6/000_4GaAs       20.9964      True        True    20       dav   
c7d7c24f5/000_4GaAs     20.9760      True        True    20       dav   

                     delta_energyPerAtom(eV)  MaxAbsForce(eV/A)  \
43f32d4a/000_4GaAs             -2.273737e-13           0.000000   
8f86cadb/000_4GaAs              9.003998e-11           0.000037   
bd0e6a6/000_4GaAs               9.003998e-11           0.000037   
c7d7c24f5/000_4GaAs             9.003998e-11           0.000037   

                     MaxAbsStress(kbar)  acc_pass  
43f32d4a/000_4GaAs         2.000000e-10      True  
8f86cadb/000_4GaAs         1.824293e-02     False  
bd0e6a6/000_4GaAs          1.824293e-02     False  
c7d7c24f5/000_4GaAs        1.824293e-02     False 

The time line of recent commits:

[maki49]

Seems that the difference between the two sets of ibz-kpoints can be reduced along with the convergence threshold.

[pxlxingliang]

I have tested the latest codes with some alloy examples:
https://deepmodeling-activity.github.io/abacus-test.github.io/index.html?pname=alloy/symmetry

The deviation of energy, force, an stress with symmetry and without symmetry is similar to previous version
0920

0628

[pxlxingliang]

As the new symmetry has no more abnormal, I will update the reference data of PW daily test.