deepmodeling abacus-develop General Discussions
General Discussions
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You must be logged in to vote The Absolute Zero Plan
The Absolute ZeroReduce the "entropy" of the code to 0 -
You must be logged in to vote Note: theoretical framework of COHP may have strong basis set dependence
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote The PW GPU code with K-point parallelism does not work well
Bug Report (Exclude input and output)Bugs that only solvable with sufficient knowledge of DFT -
You must be logged in to vote Feature: Different max-force criterion of ABACUS from ASE&VASP
Input&OutputSuitable for coders without knowing too many DFT details -
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You must be logged in to vote Discussion on the Next Steps for Module Development
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote Wrong result and low efficiency of integrated test 108_PW_RE_NEW with SG15 pseudopotential
Bug Report (Exclude input and output)Bugs that only solvable with sufficient knowledge of DFT -
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You must be logged in to vote Use correct Intel MKL config file for CMake
Bug Report (Exclude input and output)Bugs that only solvable with sufficient knowledge of DFT -
You must be logged in to vote smaller time step cause earlier divergence in TDDFT
Bug Report (Exclude input and output)Bugs that only solvable with sufficient knowledge of DFT -
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You must be logged in to vote The peak of memory consumption is too high.
Bug Report (Exclude input and output)Bugs that only solvable with sufficient knowledge of DFT -
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Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote Large error occurs with increasing smearing_sigma with LCAO base, but not in PW base.
Bug Report (Exclude input and output)Bugs that only solvable with sufficient knowledge of DFT
