<div dir="ltr">Dear W2k users,<div><br></div><div>x qtl -so fails with ROTDEF error, for nonmagnetic calculation with SOC.<div>It complained that qtl could not find symmetry operation that connects atoms</div><div><br></div>
<div>Without spin poarization, the inclusion of SOC does not break symmery.</div><div>but qtl -so tries to adjust iord.</div><div><br></div><div>When I adjust qtlmains.f as following, the error disappears near line ~ 730.</div>
<div>-----------------------------------------------------------------------------</div><div>! is (so) then</div><div>!!KK</div><div>   if (so.and.(iso.eq.2)) then</div><div><div>-----------------------------------------------------------------------------<br>
</div><div><br></div><div>Best,</div><div>Kyoo</div><div><br></div>-- <br><div dir="ltr"><div style="font-family:arial;font-size:small">Kyoo Kim,</div><div style="font-family:arial;font-size:small">dept of Physics,</div><div style="font-family:arial;font-size:small">
POSTECH, Pohang ,</div><div style="font-family:arial;font-size:small">Korea</div></div>
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