<span class="Apple-style-span" style="font-family: arial, sans-serif; font-size: 13px; border-collapse: collapse; ">Dear all,<div><br></div><div>I've been trying to use pw2wannier90 to make Wannier90 inputs, case.mmn and case.amn, from PWScf outputs. In my calculations, I consider spin-orbit coupling so I use fully relativistic ultrasoft pseudopotentials (USP). But apparently, the current version of pw2wannier90 does not support inputs obtained from noncollinear USP. Upon running the program,  I get the following error message,</div>
<div><br></div><div><div>  ---------------</div><div>  *** Compute  A</div><div>  ---------------</div><div><br></div><div><br></div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div>     from pw2wannier90 : error #         1</div><div>     NCLS calculation not implimented with USP</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div></div><div><br></div>
<div>Any idea how handle this problem? Would the problem remain if I use norm-conserving pseudopotentials instead of ultrasoft ones?</div><div><br></div><div>Thanks,</div><div><br></div></span><br>-- <br>Soroush Pakseresht<div>
Advanced Science Institute (RIKEN)</div><div>Saitama-Japan</div><br>