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ABACUS v3.7.1 is available for download!

 

Time:2024-07-15

 

Feature Updates

  • Fix: the bug which SCF restart for unconverged cases 

  • Fix: MKL finding problem in pyabacus 

  • Fix: cusolver error under multi-k situation 

  • Fix: the memory problem in berryphase

  • Fix: DeepKS MD/Relax/Cel-relax calculation convergence


More information about latest updates (e.g. Test, Refactor, Bug fix and Documentation) can be found on our Github or Gitee repositories