next up previous contents index
Next: General considerations Up: DALTON User's Guide Previous: Parallel methods

Finite field calculations

 

Despite the large number of properties that in principle can be calculated with DALTON , it is often of interest to study the dependence of these properties under an external electric perturbation. This can be easily achieved by adding static electric fields , and thus increase the number of properties that can be calculated with DALTON .

In the next section we comment briefly on some important aspects of finite electric field calculations, and the following section describes the input for finite field calculations.





Kenneth Ruud
Sat Apr 5 10:26:29 MET DST 1997