[Wien] d5/2 and d3/2 states of tungsten

p114 p3 15 d316 d5 I also have repeated the calculation with spin polarized setting but got the same result as non-magnetic case. Could it be a set up problem from my part that I have missed out? Thanks, fislam Subject: Re: [Wien] d5/2 and d3/2

[Wien] d5/2 and d3/2 states of tungsten

d3 16 d5 I also have repeated the calculation with spin polarized setting but got the same result as non-magnetic case. Could it be a set up problem from my part that I have missed out? Thanks, fislam Subject: Re: [Wien] d5/2 and d3/2 states of tungsten

[Wien] d5/2 and d3/2 states of tungsten

The currently released version of qtl cannot do SO-splitting for non-spinpolarized setup. It will work in the next version which I plan to release in a couple of days. In the meantime you have to initialize your case in a spin-polarized setup, then do runsp_c_lapw -p -so andx qtl -up

[Wien] d5/2 and d3/2 states of tungsten

Dear Wien2k users, I am trying to calculate the density of states of d5/2 and d3/2 states of tungsten using qtl package of wien2k following the instructions manual and have run run_lapw -p -i 200 -ec 0.1 -cc 0.001 -so x qtl -p -so It generates case.inq file as follows -9.0