Release66:NWChem Documentation
From NWChem
(Redirected from NWChem Documentation)
NOTE: The most up to date documentation can be found on Github at the following url
https://github.com/nwchemgit/nwchem/wiki
NWChem 6.6 User Documentation (OBSOLETE)
A PDF version of the Documentation pages is available.
Potential Energy Surface Analysis
- Constraints for Optimization
- Geometry Optimization (Minimization & Transition State Search)
- Hessians & Vibrational Frequencies
- Nudged Elastic Band (NEB) and Zero Temperature String Methods