TurboMole

Features at a Glance

All standard and state of the art methods for ground state calculations
1. very fast molecular and periodic DFT codes
2. very efficient Coupled-Cluster-F12 implementation
Excited state calculations at different levels (full RPA, TDDFT, ADC(2), CC2, …)
Many unique functionalities for excited states at the DFT and CC2 level
Broad support for symmetry and relativistic effects
Structure optimizations and molecular dynamics calculations
Various properties and spectra
Fast and reliable code
Parallel version for all kind of jobs

Load the TurboMole module to use this package, as follows:

# older versions may be available as well
module load turbomole/7.4

jobex [parameters]