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ABACUS v3.1.3 is available for download!




Feature Updates

  • Feature: print derivative of Hamilonian matrix

  • Perf: cache address in pw_transorm

  • Fix: Libxc with SOC

  • Fix: bug when stru_file=../STRU

  • Fix: warning and add documentations

  • Build: add support to libxc 6

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