smaller time step cause earlier divergence in TDDFT #2301
Satinelamp
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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:
Expected behavior
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To Reproduce
Here is the input file I use
input-0417.zip
Environment
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Additional Context
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