What’s new in Band 2019

New features in Band 2019.3

• The D4(EEQ) dispersion correction by Grimme and coworkers has been added. Note that it cannot currently not be used for periodic systems.
• TASK XC functional by Aschebrock et al., for band gaps and charge transfer systems.
• Accuracy and performance: improved the fit set for quality GOOD in the RI-HartreeFock scheme
• Various new applications in the AMS driver

New features in Band 2019.1

• DFT-1/2 method for band gap prediction
• SM12 solvation method (single point)