[Wien] question about case.joint

[Peter Blaha]

Sorry, I don't understand what you mean.

switch 4  gives epsilon2 (interband transitions only), i.e. the imaginary 
part of epsilon. It comes from a BZ integration of all possible direct 
transitions times dipolematrixelements**2.

switch 1 does not contain the dipolematrix elements.

>     Thank you very much for reply. I knew the difference between JDOS and
> the one with momentum matrix elements. But what is the difference between
> the one with momentum matrix elements and imaginary epsilon with SWITCH 4? I
> have checked them, the shape of them is similar, but the values are
> different. According to definition of epsilon2, can I say that the one with
> momentum matrix elements is the only integration part over BZ, not the sum
> over all possible transition which is epsilon2, am I right?
> 
>    Thank you very much
> 
>  
> 
> Best regards
> 
>  
> 
> Hao
> 
> 


                                      P.Blaha
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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/
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