[Wien] C2/m: strange behavior

[mazin]

Hi,

I am working with a C2/m structure, the struct file follows.
It appears that with some sets of a,b,c,gamma WIEN works fine and 
produces meaningful results. With some other set it fails to find the 
right symmetry and bombs. An example of the setting that works:
  27.031372 26.390653  8.947710 90.000000 90.000000156.669608 

And example of the setting that doesn't:
  26.132077 25.467126  8.658449 90.000000 90.000000156.360789

The rest of the files are the same, namely:

blebleble 

CXZ LATTICE,NONEQUIV.ATOMS:  6 12 C2/m 

              RELA 

  27.031372 26.390653  8.947710 90.000000 90.000000156.669608 

ATOM  -1: X=0.72679200 Y=0.62928800 Z=0.50000000
           MULT= 2          ISPLIT= 8
       -1: X=0.27320800 Y=0.37071200 Z=0.50000000
Bi1        NPT=  781  R0=0.00000500 RMT=    2.5000   Z: 83.0 

LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                      0.0000000 1.0000000 0.0000000
                      0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12006400 Y=0.81046800 Z=0.50000000
           MULT= 2          ISPLIT= 8
       -2: X=0.87993600 Y=0.18953200 Z=0.50000000
Bi2        NPT=  781  R0=0.00000500 RMT=    2.5000   Z: 83.0 

LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                      0.0000000 1.0000000 0.0000000
                      0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.20989200 Y=0.10964500 Z=0.50000000
           MULT= 2          ISPLIT= 8
       -3: X=0.79010800 Y=0.89035500 Z=0.50000000
Se1        NPT=  781  R0=0.00005000 RMT=    2.5000   Z: 34.0 

LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                      0.0000000 1.0000000 0.0000000
                      0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.89240000 Y=0.68777800 Z=0.00000000
           MULT= 2          ISPLIT= 8
       -4: X=0.10760000 Y=0.31222200 Z=0.00000000
Se2        NPT=  781  R0=0.00005000 RMT=    2.5000   Z: 34.0 

LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                      0.0000000 1.0000000 0.0000000
                      0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
           MULT= 1          ISPLIT= 8
Se3        NPT=  781  R0=0.00005000 RMT=    2.5000   Z: 34.0 

LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                      0.0000000 1.0000000 0.0000000
                      0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.50000000 Y=0.50000000 Z=0.00000000
           MULT= 1          ISPLIT= 8
Se4        NPT=  781  R0=0.00005000 RMT=    2.5000   Z: 34.0 

LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                      0.0000000 1.0000000 0.0000000
                      0.0000000 0.0000000 1.0000000
    4      NUMBER OF SYMMETRY OPERATIONS
  1 0 0 0.00000000
  0 1 0 0.00000000
  0 0 1 0.00000000
        1
-1 0 0 0.00000000
  0-1 0 0.00000000
  0 0 1 0.00000000
        2
-1 0 0 0.00000000
  0-1 0 0.00000000
  0 0-1 0.00000000
        3
  1 0 0 0.00000000
  0 1 0 0.00000000
  0 0-1 0.00000000
        4