ABACUS v3.6.3 is available for download!
Time:2024-05-13
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