[Wien] qtl fails with symmetrize on for nonmagnetic +SO calc.

[Kim Kyoo]

Dear W2k users,

x qtl -so fails with ROTDEF error, for nonmagnetic calculation with SOC.
It complained that qtl could not find symmetry operation that connects atoms

Without spin poarization, the inclusion of SOC does not break symmery.
but qtl -so tries to adjust iord.

When I adjust qtlmains.f as following, the error disappears near line ~ 730.
-----------------------------------------------------------------------------
! is (so) then
!!KK
   if (so.and.(iso.eq.2)) then
-----------------------------------------------------------------------------

Best,
Kyoo

-- 
Kyoo Kim,
dept of Physics,
POSTECH, Pohang ,
Korea
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