wqzhou

@denghuilu, could you have a look?

@dyzheng we need to check the usage of memory in these cases.

@denghuilu any update?

I think we should keep this in mind since non-conlinear calculations will be very important in very near future.

This issue is from the machine issue, not related with ABACUS.

@ZLI-afk, According to [ABACUS收敛性问题解决手册](https://ucoyxk075n.feishu.cn/docx/R0sqdk6T0o2RY4x5IWgcJ3RHnug). I try to reduce `mixing_beta` from 0.8 to 0.4/0.2, and increase `mixing_ndim` from 8 to 15. You can check the results in [link](https://app.bohrium.dp.tech/abacustest/?request=GET%3A%2Fapplications%2Fabacustest%2Fjobs%2Fjob-metal-abacustest-v0.3.113-202bb5). Actually, I try...

This issue can be closed by PR #4047

Look forward to it! b.t.w, there is a similar PR #3501 for PW basis recently.

And This issue will be close as Issue #3266

@AsTonyshment can we close this issue now?