[Wien] ISPLIT

[hazem salem]

Dear all,
             I'm plotting the PDOS of TiO2. In order to get the eg and t2g bands of  Ti, i did the following:
1. used ISPILT=2 in the structure file
2. run lapw1 for a converged calculation
3. run lapw2 -qtl 
4. x tetra
So I modefied the case.int according to the case.qtl file.
But I couldn't see the splitting in the eg-t2g bands.
Can anybody help me to undertand.
I attach the PDOS plot of the eg-t2g bands
 
Thanks in advance
Hazem


      ____________________________________________________________________________________
Be a better friend, newshound, and 
know-it-all with Yahoo! Mobile.  Try it now.  http://mobile.yahoo.com/;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20071219/e25fb062/attachment.html