deepmodeling abacus-develop Discussions
Discussions
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You must be logged in to vote Convergence difficulties met in LCAO scf calculation with Broyden and Kerker charge mixing method
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You must be logged in to vote using abacus to do COHP calculation
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You must be logged in to vote unstable bug of "Assertion `psi_norm > 0.0' failed" in Davidson method
BugsBugs that only solvable with sufficient knowledge of DFT -
You must be logged in to vote We need to provide BoltzTraP interface
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You must be logged in to vote cuSolver may prominently enhance the efficiency of LCAO module
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You must be logged in to vote Hessian matrix and phonon frequencies
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You must be logged in to vote Suggest ABACUS could output the version
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You must be logged in to vote The autotests is not rich enough, we still can find out some error case not in them.
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