[Wien] Help on "QTL-B" problem in SO included SrRuO3 calculation

[Hongming Weng]

Dear WIN2K users,

       In my spin polarized caluculation of cubic-SrRuO3 without 
Spin-Orbital coupling, it is ok and conergied. But after initso_lapw,
and runsp_lapw -so, there will be QTL-B warning in the case.scf files, 
it looks like:
   QTL-B VALUE .EQ.    1.16770   !!!!!!
   QTL-B VALUE .EQ.    1.26398   !!!!!!
   QTL-B VALUE .EQ.   26.89148   !!!!!!
   QTL-B VALUE .EQ.   26.40526   !!!!!!
   QTL-B VALUE .EQ.   24.71957   !!!!!!
   QTL-B VALUE .EQ.   24.24078   !!!!!!
   QTL-B VALUE .EQ.   39.36466   !!!!!!
   QTL-B VALUE .EQ.   38.49734   !!!!!!
   QTL-B VALUE .EQ.    1.60080   !!!!!!
   QTL-B VALUE .EQ.    1.54318   !!!!!!
   QTL-B VALUE .EQ.    1.99923   !!!!!!
   QTL-B VALUE .EQ.    1.92369   !!!!!!
and not convergy.
     It is said that if QTL-B value is a few percent, it is safe. But
in my case, it is as big as 39.36466. I have tried everything told in
the wien2k-UG, but failed. 
     Here is the structure file before and after adding SO. Would you 
please help me solving this problem or give some hints? 
     Thank you very much!!
Yours,
Whoming

before initso_lapw
Cubic SrRuO3
P   LATTICE,NONEQUIV.ATOMS:  3221_Pm-3m
MODE OF CALC=RELA unit=bohr
  7.390719  7.390719  7.390719 90.000000 90.000000 90.000000
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Sr         NPT=  781  R0=0.00001000 RMT=    2.0000   Z: 38.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
Ru         NPT=  781  R0=0.00001000 RMT=    1.8000   Z: 44.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50000000 Y=0.50000000 Z=0.00000000
          MULT= 3          ISPLIT=-2
      -3: X=0.00000000 Y=0.50000000 Z=0.50000000
      -3: X=0.50000000 Y=0.00000000 Z=0.50000000
O          NPT=  781  R0=0.00010000 RMT=    1.8000   Z:  8.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  0      NUMBER OF SYMMETRY OPERATIONS

after initso_lapw
Cubic SrRuO3                             s-o calc. M||  0.00  0.00  1.00
P                            4 21_P
             RELA
  7.390719  7.390719  7.390719 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Sr         NPT=  781  R0=.000010000 RMT=   1.80000   Z:  38.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
Ru         NPT=  781  R0=.000010000 RMT=   1.80000   Z:  44.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50000000 Y=0.50000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
O          NPT=  781  R0=.000100000 RMT=   1.80000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -4: X=0.50000000 Y=0.00000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT=   1.80000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  0      NUMBER OF SYMMETRY OPERATIONS