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Hello, I did a calculation using input files from you. Since there's no INPUT file in the provided compressed file, I used INPUT file from my previous calculation in a...

After removing parameters about external electric field, the SCF calculation converged in 33 steps. What kind of convergence problem you met? If your relax calculation didn't converge, you can try...

Hi matphy1, I repeated your calculation with LTS v3.10.0, and it runs smoothly until 4th step of the cell-relax procedure. [6193-repeat.zip](https://github.com/user-attachments/files/20186254/6193-repeat.zip) Perhaps it is due to your abacus executable. You...

I have repeated your calculation using ABACUS v3.10 LTS with the supplied input files, and the SCF runs smoothly and finishes without errors. The output files are attached. [1-sdw-U-1.5-rerun.zip](https://github.com/user-attachments/files/20100410/1-sdw-U-1.5-rerun.zip) Also,...