Known problems

14.0

  • LAO shieldings are wrong in combination with the .SELECT keyword.
  • Analytic molecular gradient is wrong for an open-shell system.
  • LAO shieldings are wrong in combination with nonzero .HFXMU (e.g. LCPBE0).
  • CAMB3LYP analytic molecular gradient is wrong.
  • Several tests show failures on Intel 15 with –int64.
  • XC grid generation does not correctly handle ghost atoms.
  • .CNVINT keyword is ignored.
  • .PROPERTIES can reset OPTIMIZE parameters (e.g. cancel .NUMGRA).