ABACUS v3.5.4 is available for download!
Time:2024-03-04
Feature: Added json array support
Feature: Including the Slater screening to more accurately estimate the radial function
Feature: extended support on arbitary atom symbols defined in STRU to calculate QO_OVLP data
Fix: fix accessing out-of-bounds in save_DMR() with changed nnr
Fix: mulliken_charge error for magnetism_atom_y
More information about latest updates (e.g. Test, Refactor, Bug fix and Documentation) can be found on our Github or Gitee repositories