Q: What's the INPUT file in OUT.suffix dir?

[Cstandardlib]

Details

The doc says that OUT.suffix/INPUT contain the initial default of ABACUS instead of the real parameters used in calculations. This file is stored for reproduction in case the default value is changed during development. If you want to figure out the real parameters used in calculations, you can open OUT.suffix/runing_scf.log and research corresponding parameter you are interested.

However, when I examine the actual INPUT file in OUT.suffix folder, I find that it seems to be a mixture of initial default and real parameters, that is the default parameter set overridden by user-given ones.

Did I get something wrong?

Have you read FAQ on the online manual http://abacus.deepmodeling.com/en/latest/community/faq.html

• Yes, I have read the FAQ part on online manual.

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[mohanchen]

You've discovered a really good issue. The INPUT should indeed store the parameters that the user actually uses, rather than the default values of these parameters. It's possible that what the person writing the document intended to convey was the values of the input parameters, and some of these parameters will also be modified during the process (very few cases). So, could you submit a PR to correct this part of the description?