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@mohanchen mohanchen commented Jun 1, 2025

Change 'istate.info' to 'eig.txt', add explanations for the parameter "out_band" (open files eigs1.txt and eigs2.txt). In the 'after_all_runners" subroutine in SDFT, use after_all_runners from ESolver_KS, ensabling the SDFT method to print out eigs1.txt and eigs2.txt if applicable

@mohanchen mohanchen added Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0 Unit Tests/Integreate Tests Issues/PR related to unit tests and integrate tests labels Jun 1, 2025
@mohanchen mohanchen changed the title Change 'istate.info' to 'eig.txt', add explanations for the parameter "out_band" (open files eigs1.txt and eigs2.txt) Change 'istate.info' to 'eig.txt', add explanations for the parameter "out_band" (open files eigs1.txt and eigs2.txt). In the 'after_all_runners" subroutine in SDFT, use after_all_runners from ESolver_KS Jun 1, 2025
@mohanchen mohanchen requested a review from sunliang98 June 1, 2025 09:09
@sunliang98 sunliang98 merged commit 9cfa31f into deepmodeling:develop Jun 2, 2025
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Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0 Unit Tests/Integreate Tests Issues/PR related to unit tests and integrate tests

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