[Wien] optical conductivity for LaCoO3

[Sergey Streltsov]

Dear Wien users,

I am trying to calculate optical conductivity for LaCoO3 from
LDA+U calculations, but I always have zeros (for other componds like Fe2Ge and 
so on it works nicely). Probably it is due to some symetry resons ?

LaCoO3                                                                         
R   LATTICE,NONEQUIV.ATOMS:  3167_R-3c                                         
MODE OF CALC=RELA unit=ang                                                     
 10.296447 10.296447 24.762206 90.000000 90.000000120.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.75000000 Y=0.75000000 Z=0.75000000
La         NPT=  781  R0=0.00001000 RMT=    2.8000   Z: 57.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Co         NPT=  781  R0=0.00005000 RMT=    1.8000   Z: 27.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.69967199 Y=0.80032800 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.30032801 Y=0.19967200 Z=0.75000000
      -3: X=0.80032800 Y=0.25000000 Z=0.69967199
      -3: X=0.19967200 Y=0.75000000 Z=0.30032801
      -3: X=0.25000000 Y=0.69967199 Z=0.80032800
      -3: X=0.75000000 Y=0.30032801 Z=0.19967200
O          NPT=  781  R0=0.00010000 RMT=    1.8000   Z:  8.0                   
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
  12      NUMBER OF SYMMETRY OPERATIONS
-1 0 0 0.0000000
 0-1 0 0.0000000
 0 0-1 0.0000000
       1
 0 0-1 0.0000000
-1 0 0 0.0000000
 0-1 0 0.0000000
       2
 0-1 0 0.0000000
 0 0-1 0.0000000
-1 0 0 0.0000000
       3
 0 1 0 0.0000000
 0 0 1 0.0000000
 1 0 0 0.0000000
       4
 0 0 1 0.0000000
 1 0 0 0.0000000
 0 1 0 0.0000000
       5
 1 0 0 0.0000000
 0 1 0 0.0000000
 0 0 1 0.0000000
       6
 0 0-1 0.5000000
 0-1 0 0.5000000
-1 0 0 0.5000000
       7
 0 0 1 0.5000000
 0 1 0 0.5000000
 1 0 0 0.5000000
       8
-1 0 0 0.5000000
 0 0-1 0.5000000
 0-1 0 0.5000000
       9
 0-1 0 0.5000000
-1 0 0 0.5000000
 0 0-1 0.5000000
      10
 0 1 0 0.5000000
 1 0 0 0.5000000
 0 0 1 0.5000000
      11
 1 0 0 0.5000000
 0 0 1 0.5000000
 0 1 0 0.5000000
      12

Best regards,
Sergey Streltsov.