[Wien] optic jdos problems

[Peter Blaha]

Hi,

I could confirm your problem. It seems that this part is not correct.

Since "optic" is a contributed code by C.Ambrosch, I do not know if
it will be fixed in short time.

On the other hand it seems that switch 5 produces some non-zero output.
 


>    I am now calculating optic properties of tio2, I used the switch 0 in
> case.injoint and get some .jdos* files. In head of them there are several
> field names. For instance, 14  23 means transition from band 14 to band 23,
> right? But if so, why transition happened only between last two bands, I
> mean there are only 39 bands in case.output2, but all transitions among
> bands are zero except the transition between 38 and 39. what on earth does
> that mean? Does that mean the transition can only occur between 38 and 39? I
> also check the problem in GaAs and other materials, they are all same. Could
> you please help me?
> 
>  
> 
> Thank you in advance.
> 
>  
> 
> 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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