deepmodeling abacus-develop General Discussions
General Discussions
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You must be logged in to vote The peak of memory consumption is too high.
BugsBugs that only solvable with sufficient knowledge of DFT -
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You must be logged in to vote Examples of using rt-TDDFT in the periodic system
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You must be logged in to vote Large error occurs with increasing smearing_sigma with LCAO base, but not in PW base.
BugsBugs that only solvable with sufficient knowledge of DFT -
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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
Feature DiscussedThe features will be discussed first but will not be implemented soon -
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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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