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ABACUS v3.6.3 is available for download!




Feature Updates

  • Feature: descriptors for equivariant DeePKS

  • Feature: reading and writing of h(r) and dm(r) in npz format

  • Feature: write local-XC and EXX part of band(orbital) energy along with the XC matrix

  • Fix: dcu cmake compilation error

  • Fix: remove non-used pointor in Gint

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