Re: [Wien] DOS projected onto Jeff=1/2 and 3/2

2013-11-20 Thread acta3273
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

[Wien] DOS projected onto Jeff=1/2 and 3/2

2013-11-19 Thread acta3273
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