 
 
 
 
 
 
 
 
 
 
A simple way to incorporate a scalar relativistic treatment is to use scalar relativistic pseudopotentials which can be generated by ADPACK. The another way is to use fully relativistic j-dependent pseudopotentials and to switch off the keyword 'scf.SpinOrbit.Coupling' as follows:
    scf.SpinOrbit.Coupling      off        # On|Off, default=off
Then, the j-dependent pseudopotentials are automatically averaged 
 with a weight of j-degeneracy when they are read by OpenMX, which
 corresponds to scalar relativistic pseudopotentials.
 So, once j-dependent pseudopotentials are generated,
 you can utilize the pseudopotentials for both the fully and scalar
 relativistic treatments. Thus, we recommend that you make a fully
 relativistic j-dependent pseudopotential rather than a scalar
 relativistic pseudopotential, when relativistic effects are
 taken into account. In fact, the calculation in Fig. 26(a) was performed
 using the same pseudopotential as in Fig. 26(b) with 'scf.SpinOrbit.Coupling=off'.