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).