NWChem 6.2
From NWChem
Contents |
What's new in the NWChem development version
New functionality
High accuracy
Gaussian basis DFT & TDDFT
- COSMO analytical gradients have been added
Plane-wave DFT and dynamics
Properties
Molecular Dynamics
Input
Other
- Latest set of basis sets in the Basis Set Exchange have been added to the NWChem basis set library.
Documentation
- A complete list of the Gaussian basis sets and ECPs available in NWChem is now available in the basis set section.