<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear users,<div><br></div><div>I'm dealing with solid system consist of heavy atoms, i.e., Bi atoms.</div><div>Thus, I need to include the spin-orbit interaction to calculate electronic structure in a reliable way.</div><div><br></div><div>However, checking the "Known limitation and bugs of WIEN2k" section in the web page, I notice that the force will not be calculated in the spin-orbit calculation. [<a href="http://www.wien2k.at/reg_user/limitations/">http://www.wien2k.at/reg_user/limitations/</a>]</div><div>Is that true for all the cases? Are people believe there no, or negligible, dependences on SOI in the geometries?</div><div>Nevertheless, I can proceed the SOI calculations with force relaxation by typing : <b>min_lapw -j "run_lapw -p -so -in1new 3 -fc 1"</b></div><div>And this works until it gets the force criterion. </div><div><br></div><div>What is the best way?</div><div><br></div><div>Thanks,</div><div>H.-J. Kim.</div><div><br></div><div><br></div></body></html>