Dear Wien2k users,<div>In Wien2k version 12, one error in symmetry with Rhombohedral structure is fixed.</div><div>it is about complaining "negative position".</div><div>but symmetso is not fixed.</div><div>In rstruct.f line near line 327, </div>
<div><div>! if(pos(k1,i).lt.0.d0) stop 'ERROR: negative position in rstruc. Please report '</div><div> if(pos(k1,i).lt.-1.d-7) stop 'ERROR: negative position in rstruc. Please report '</div>
</div><div><br></div><div>I've searched forum but reports are about symmery, not symmetso. </div><div><br></div><div>best,</div><div>Kyoo</div><div><br></div><div><br></div><div>department of Physics</div><div>POSTECH</div>
<div>pohang, Korea.</div>