[Wien] question about case.joint

[Peter Blaha]

> When I set the SWITCH in case.injoint to 4, I got case.joint file, while set
> to 0, I got case.joint, but they are different, the shape of the one with 4
> switch looked like the epsilon2 of dielectric function but the values are
> different. The one with 0 switch is totally different with epsilon2. I want
> to know what is the difference between two case.joint. could you please
> help? Thank you very much!

Difference is that in one case you have just the JDOS, in the other case
it is modified by the corresponding momentum matrix elements.


                                      P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------