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### Describe the bug
207_NO_KP_OH test:
serial, just run this test for several times, observe the change of output Hamiltonian:
```
26 (-0.0827756,-2.58548e-32) (-0.114646,2.10059e-17) (0.0203671…
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The PBS system version I am using is:
> Version: 6.1.1.1
> Commit: 22f28343b8ee83b1234479b20224353f6c2db317
I have already written the machine.json file for it.
[machine_own.json](https://gith…
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### Details
Dear developers and users,
I faced some problems when compiling elpa with toolchain on a cluster.
The error information is as bellow:
make[1]: *** [src/elpa2/kernels/libelpa_openmp…
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I opened the standard CHGCAR file (obtained by VASP) with VESTA, and then exported it to test.cube in the *.cube format. But the new CHGCAR file converted from test.cube by your script didn't look li…
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### Describe the Testing Issue
For tests on Actinides, presently there is no data available for element Am, Cm, Cf, Bk, ..., but for a full converage over periodic table, if needed, these elements mu…
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### Describe the bug
Configure with:
`CC=mpiicc FC=mpiifort CCX=mpiicpc cmake -B build -DENABLE_PAW=1 -DCMAKE_INSTALL_PREFIX=/software/abacus/3.5.1 -DCEREAL_INCLUDE_DIR=/software/cereal/cereal-1.3.2…
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### Describe the Testing Issue
In abacus dailytest, there has no testing about running of abaucs on DCU.
### Additional Context
_No response_
### Task list for Issue attackers (only for developer…
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### Background
Current ABACUS sometimes faces convergence challenge for some complicated metal/surface and spin-polarized systems. In order to improve the convergence performance of ABACUS, we will…
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https://github.com/abacus-network/abacus-monorepo/runs/6115352394?check_suite_focus=true
Had to move abacus deployment in the beforeEach hook, since it seemed like state wasn't properly reverting w…