Skip to content

v2022.0.17

Compare
Choose a tag to compare
@mkhorton mkhorton released this 11 Dec 00:52
· 3582 commits to master since this release

Welcome to new contributor @e-kwsm!

Improvements

  • More robust smart fermi method by @utf in #2303
  • Add warning if improper ALGO is used for hybrid calculations by @arosen93 in #2298
  • Wrap supercell to unit cell when performing change of setting by @jmmshn in #2300
  • Clearer handling of the MAGMOM flag in pymatgen.io.vasp.sets by @arosen93 in #2301
  • Add warning if LASPH != True for meta-GGA/hybrid/vdW/+U by @arosen93 in #2297
  • Add ability to request additional OPTIMADE fields by @ml-evs in #2315
  • Add missing elements to MPScanRelaxSet PBE .54 potentials by @arosen93 in #2316

Fixes

Documentation