[Wien] Orientation of EFG tensor

[Jair C. C. Freitas]

Dear all, does anyone know how to get the orientation of the 
principal axes of the EFG tensor with respect to the hyperfine 
magnetic field in Wien2k? I need this information in order to compare 
EFG calculations with NMR experimental data. Below is an excerpt from 
the output file of the EFG calculations in my system. I didn't find 
anywhere the explanations for the parameters named "MAIN DIRECTIONS 
OF THE EFG" and "ANGLE WITH OLD X-AXIS". I assume the EFG value given 
corresponds to the principal component Vzz, am I right?

Thank you for the help.

Jair Freitas


:EFG001:                        EFG         =    -0.03827   *10**21  V / m**2
                                V20  TOT/SRF=     0.02249     0.00629
                                V22  TOT/SRF=    -0.01411     0.00550
                                V22M TOT/SRF=    -0.02098     0.00608
                                V21  TOT/SRF=    -0.00013     0.00005
                                V21M TOT/SRF=     0.00165     0.00135

              -0.02709   -0.02098   -0.00013       -0.03827 
0.00000    0.00000
              -0.02098    0.00113    0.00165        0.00000 
0.01214    0.00000
              -0.00013    0.00165    0.02596        0.00000 
0.00000    0.02614

          MAIN DIRECTIONS OF THE EFG   1.0000 -0.5344 -0.0425
                                                              0.5330 
1.0000  0.1017
                                                             -0.0117 
-0.1244  1.0000
:ANG001:  ANGLE WITH OLD X-AXIS =        28.2