Dear Professor Blaha,
Thank you very much for your prompt reply, but it seems that
my previous question was not clear enough.
What I want to calculate is the SOC splitting in the t2g manifold,
rather than the SOC splitting in the five d orbitals.
This is usually done with Jeff, rather
Dear WIEN2k users,
I am intersted in materials with strong spin-orbit coupling and now
trying
to calculate the electronic structure of Sr2IrO4 without spin
polarization.
Using wien2k but without using wannier, I want to reproduce the PDOS
projected onto Jeff=1/2 and 3/2, as was done in
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