[Wien] optic jdos problems

=?iso-2022-jp?B?GyRCMiZaXxsoQg==?= hao at qs.t.u-tokyo.ac.jp
Tue Mar 28 10:54:31 CEST 2006


Hi wien2k users:

   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

 

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