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Doc says relax_nmax's default is 1 for SCF, 50 for relax and cell-relax calcualtions, but not #5675

@saltball

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@saltball

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Doc https://abacus.deepmodeling.com/en/latest/advanced/input_files/input-main.html#relax-nmax says Default: 1 for SCF, 50 for relax and cell-relax calcualtions.
I'm not sure whether it is a doc problem or a bug.

but when running relax without explicitly define relax_nmax in INPUT, the calculation still run with relax_nmax 1 in OUT.xxx/INPUT

byw there is a typo calcualtions

Have you read the online manual http://abacus.deepmodeling.com/en/latest/

  • Yes, I have read the online manual.

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