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...
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