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ABACUS v3.0.3 is available for download!




Feature Updates

  • Feature: NPT ensemble

  • Feature: a new implementation of (variable cell) relaxation

  • Feature: add constrained DFT on PW and LCAO

  • Feature: support GPW diaHsubspace in CG method

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