CPL: NMR spin-spin couplings
The original version of this part of the User's Guide was written by Jochen Autschbach, primary author of the CPL code.
IntroductionTheoretical and technical aspects
Further technical aspects and current limitations
Bug fix in case more than 1 perturbing atom and DSO or PSO
Running CPL
Input file for CPL: TAPE21
Main input switches
NMRCOUPLING subkeys
Practical Aspects
Minimal input
Restarts
How to avoid the unnecessary computation of many SCF cycles
Computing individual terms in the coupling tensor
Two-bond and more-bond couplings
Principal axis system, the whole coupling tensor
References
