Open Satinelamp opened 1 month ago
when running TDDFT, it might to useful DFT+U to describe the d electrons. but the current ABACUS doesn't support it.
support DFT+U during TDDFT
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@dyzheng could you have a look?
Here is the example and output log. tddft_dft_plus_u.tar.gz
Background
when running TDDFT, it might to useful DFT+U to describe the d electrons. but the current ABACUS doesn't support it.
Describe the solution you'd like
support DFT+U during TDDFT
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Notice Possible Changes of Behavior (Reminder only for developers)
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Notice any changes of core modules (Reminder only for developers)
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Notice Possible Changes of Core Modules (Reminder only for developers)
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Additional Context
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