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### Describe the bug
The output Matrices, H(R),S(R),S(k)，are totally wrong if 'esolver_type=tddft'. It's a problem occurs only in versions later than 3.5.0. Since tddft didn't changed from 3.4.4 to 3…
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### Describe the bug
In esolver_ks_pw.cpp:
```c++
this->kspw_psi = GlobalV::device_flag == "gpu"
|| GlobalV::precision_flag == "single"
? …
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### Background
present only a max_step param can be specified, while its value is not certain, this will cause large computational cost
### Describe the solution you'd like
add one explicit converg…
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### Details
I try to test the Pseudopotential of the Ce element with the pw calculation of abacus, but it seems each electronic step needs to take about 150s, but in vasp, it only takes 1s. I use 1…
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### Describe the Testing Issue
[data.zip](https://github.com/deepmodeling/abacus-develop/files/14930206/data.zip)
Relax of Pt(111)-OH CANNOT converge. The STRU is constructed by Materials Stud…
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### Describe the bug
When building ABACUS with the latest version of LibRI and LibComm (from `git clone`) by using gcc-toolchain:
```
In file included from /lustre/home/2201110432/lib/libcomm/maste…
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[yig_jiaU.zip](https://github.com/abacusmodeling/abacus-develop/files/14972956/yig_jiaU.zip)
1 使用INPUT_scf, KPT_scf, 进行自洽计算。2 使用INPUT_nscf, KPT_nscf, 进行自洽计算 3使用abacus-plot -b画能带，铁原子的U-J为5•7来自于文献➡️经过上…
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**Description:** We will repeat the experiment released in July (WC 7.9) to understand if the improvements included with 8.1 have a positive impact on the new experience. This experiment should be lau…
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### Details
When I compiled the unit tests using mkl as a math library, the compiled program failed to execute successfully. The error is as follows:
```
./Perf_Hsolver_Kernels: error while loading…
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**Describe the bug**
When launching the app after authenticating (both oauth and token) to my personal instance, the app seems to go in a loop where the app screen slides from left to right. There is …