<html><head></head><body><div style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:13px;"><div style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:13px;"><div>Dear wien2k users and developer</div><div><br></div><div><div>I have a question regarding to wien2wannier with soc, but without sp. </div><div><br></div><div>I found the work flow in Wien2wannier user guide for spin-orbit coupling :</div><div><br></div><div><pre><code>$ prepare_w2wdir W
$ init_w2w -up
...
> findbands -so -all -1 1 (13:30:56)
> write_inwf -f W (13:31:01)
...
> minimal and maximal band indices [Nmin Nmax]? 41 46
> next proj. (6 to go; Ctrl-D if done)? 1:dt2g
added 3 projections: 2:dxy,dxz,dyz
> next proj. (3 to go; Ctrl-D if done)? 1:dt2g
added 3 projections: 2:dxy,dxz,dyz
--> 6 bands, 6 initial projections
...
$ x lapw1; x lapwso
$ x w2w -so -up; w2w -so -dn
$ x wannier90 -so</code></pre></div><div><div> I wonder that for considering spin orbit coupling I also should consider spin up and down.</div><div>Is it necessary to add up and dn in the above commands.</div><div><br></div><div>I also wants to know if I should do a converged so Wien2k calculation before running wien2wannier or I should do a non so calculation? <br></div><div>Thank you in advance</div><div>Best</div><div>Sahraii<br></div><div><br></div><div><br></div><div><br></div></div><h1 class="ydp94649871gh-header-title ydp94649871instapaper_title"><br></h1><br></div></div></div></body></html>