There is a problem when calculating the partial charge density

[Lweiweij]

Describe the bug

I am using ABACUS 3.9.0.2 to calculate partial charge density. However, I use nband_istate or bands_to_print to specify the bands I need to calculate, and the partial charge density results I get are problematic. Specifically, only the charge density file corresponding to the first band in the bands that I specified looks correct, while the others all get wrong results, and the contents of the *.cube file are all "-nan". I want to know how to solve this problem.

Expected behavior

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To Reproduce

INPUT_file.zip

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Environment

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Additional Context

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[AsTonyshment]

@Lweiweij This has already been solved in the latest develop branch, see Issue #6057 and PR #6060. This issue will be closed, and if you have further question, feel free to ask and reopen the issue!