NOPARA

The subkey NOPARA suppresses the calculation of the paramagnetic shielding completely. This can be useful if single atoms are considered. Then, the paramagnetic shielding must vanish by symmetry. On the other hand, the program would crash in the calculation of the paramagnetic shielding of atoms since the occupation numbers are not all equal (see also the key MixOcc). The key doesn't have any argument. The default is obviously that this feature be not used. A warning is given to the user if this switch is set for molecules.