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ABACUS v3.5.2 is available for download!




Feature Updates

  • Feature: enable restart charge density mixing during SCF

  • Feature: reduce unnecessary computation due to the calculation of the overlap matrix

  • Feature: add python wrapper for math sphbes

  • Fix: omit magnetic moments to avoid numerical instability 

  • Fix: cuda build target

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