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### Describe the bug
when i use abacus to calculate force in Fe128,the force is not same when i try.
I use MPI=4 and openmp=7 to compute this case,
however the result came as
![image](https://git…
A-006 updated
6 months ago
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Dear developers,
Greetings!
We are encountering the need to calculate nonlinear optical properties and requesting your help.
We want the implementation of a feature within ABACUS that enables …
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### Describe the bug
While generating a dataset for AIMD using VASP and subsequent calculation with Abacus, I encountered the following issues:
Upon setting the lattice constant to 1 in VASP, I rece…
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### Background
We may rise question like: "is it always to be true that reference structures should have uniformed nspin/number of spin channels?" the answer in principle would be "no".
When generat…
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### Describe the bug
Fe, 2 atoms, nspin = 2, inf in `BAND_1.dat` and `BAND_2.dat`. Missing 1 to 36 in `BAND_2.dat`.
 is a simple extension to the ERC-20 interface that enables token issuers to maintain control and flexib…
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### Background
Seems the ratio of weights in Spillage function of PSI and DPSI plays crucial role
### Describe the solution you'd like
enable the parameter `spillage_coefs` in new version orbital g…
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### Describe the Code Quality Issue
Esolver_KS_PW defined too much functions and they should be moved to other places.
### Additional Context
_No response_
### Task list for Issue attackers (only …