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smaller time step cause earlier divergence in TDDFT #2256

@Satinelamp

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@Satinelamp

Describe the bug

I am using Abacus 3.2.0 to run TDDFT, but I found that a smaller time step would cause earlier divergence, which is unusual in TDDFT.
I use temperature as a mark of whether TDDFT diverges:
image

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Here is the input file I use
input-0417.zip

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BugsBugs that only solvable with sufficient knowledge of DFT

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