[Wien] (no subject)

[Gavin Abo]

There is "x qtl".  You can read about it in section 8.19 of the WIEN2k 
14.2 usersguide starting on page 167 [ 
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ].

For 4f orbitals, there is a general set or a cubic set [ 
http://winter.group.shef.ac.uk/orbitron/AOs/4f/index.html ].

In case.inq, you can select the one you want by setting:

l = 3 and QSPLIT = 2 for the general set

or

l = 3 and QSPLIT = 5 for the cubic set

On 5/6/2015 10:08 AM, sandeep wrote:
> Dear all!
>
>        I wanted to plot the density of states for 4f degenerate states 
> similar to the eg and t2g states of d states. In wien2k the next 
> successive state generally corresponds to the degenerate states of d, 
> but could not make the same for f states. how to do that?
>
> thanks in advance...