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ABACUS v3.6.1 is available for download!

 

Time:2024-04-15

 

Feature Updates

  • Feature: add a new Davidson iteration method called subspace davidson for pw basis

  • Feature: add force and stress for noncollinear calculation with soc

  • Feature: add so-called U-Ramping method to improve DFTU convergence

  • Feature: read and write Hexx(R) in CSR format

  • Perf: use converged occupation matrix for initial DFTU calculation in MD calculation 


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