[Wien] Error in S-O magnetization direction

[Pablo de la Mora]

Dear Wien Users,
    I am trying to calculate Sr2IrO4 in the Ir-O direction (0 1 1)
I have succeeded in calculating it in the 1 0 0 (perpendicular to the 
Ir-O) planes and 0 0 1 (in the Ir-O plane but to the centre of the Ir-O 
square).
When I calculate in the 0 0 1 direction the magnetization turns towards 
the Ir-O direction (0 -1 1):

:ORB001:  ORBITAL MOMENT:  0.00000 -0.19087  0.24664 PROJECTION ON M  
0.24664
:SPI001:  SPIN MOMENT:   0.00000  -0.04732   0.47791 PROJECTION ON M  
0.47791

When calculating in the 0 1 1 direction, with

nohup runsp -so -orb -i 1

the calculation stops at 'lapwdm':

mar feb 24 07:15:48 CST 2009> (x) lapw0
mar feb 24 07:16:17 CST 2009> (x) orb -up
mar feb 24 07:16:17 CST 2009> (x) orb -dn
mar feb 24 07:16:17 CST 2009> (x) lapw1 -up
mar feb 24 07:16:49 CST 2009> (x) lapw1 -dn
mar feb 24 07:17:07 CST 2009> (x) lapwso -up -orb
mar feb 24 07:17:13 CST 2009> (x) lapw2 -c -up -so
mar feb 24 07:17:22 CST 2009> (x) lapw2 -c -dn -so
mar feb 24 07:17:31 CST 2009> (x) lapwdm -up -so -c

I also tried 0 0.7071 0.7071

What I find strange is that lapwso does not stop.

Any suggestions

             Pablo de la Mora