Turbomole


Turbomole is a quantum package similar to Jaguar and Gaussian. It is particularly useful for calculations with highly correlated methods (like Coupled Cluster) and for TD-DFT.
The official Turbomole website can be found here


To run turbomole, you must insert the lines
setenv TURBODIR /net/igor/exec/turbomole/LINUX-RH9
set path = ( $path ~/scripts $TURBODIR/scripts $TURBODIR/bin/i786-pc-linux-gnu )
in .cshrc.


Note: to run, turbomole requires the Korn Shell. Korn is currently installed on borg, dell20 and all the wolves.