Dynamical matrix file
File generated with the CellConstructor by Lorenzo Monacelli
3 5 0     1.8897259890000000     0.0000000000000000     0.0000000000000000     0.0000000000000000     0.0000000000000000     0.0000000000000000
Basis vectors
    3.9800003118112213     0.0000000000000000     0.0000000000000000
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    0.0000000000000000     0.0000000000000000     3.9800003118112213
	1  'Ba '  125165.9077335107867839
	2  'Ti '  43628.1030349454958923
	3  'O '  14582.5615078719583835
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     Dynamical Matrix in cartesian axes

     q = (    -0.125628130861     0.000000000000     0.000000000000 )

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     Dynamical Matrix in cartesian axes

     q = (     0.000000000000    -0.125628130861     0.000000000000 )

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     Dynamical Matrix in cartesian axes

     q = (     0.000000000000     0.000000000000    -0.125628130861 )

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     Diagonalizing the dynamical matrix

     q = (    -0.125628130861     0.000000000000     0.000000000000 )

***************************************************************************
   freq (    1) =    -4.76236046 [THz] =  -158.85522294 [cm-1]
(  -0.000000  0.000000   0.000000 -0.000000  -0.000000 -0.000000 )
(  -0.000000  0.000000   0.659741  0.087511  -0.000000  0.087511 )
(   0.000000  0.000000   0.000000 -0.000000  -0.000000 -0.000000 )
(  -0.000000 -0.000000  -0.645688 -0.085647   0.000000 -0.085647 )
(   0.000000  0.000000  -0.361301 -0.047925   0.000000 -0.047925 )
   freq (    2) =    -4.76197177 [THz] =  -158.84225792 [cm-1]
(  -0.000000  0.000000   0.000000  0.000000  -0.000000  0.000000 )
(   0.000000 -0.000000   0.000000 -0.000000  -0.068602 -0.000000 )
(  -0.000000 -0.000000   0.000000 -0.000000   0.000000 -0.000000 )
(   0.000000  0.000000  -0.000000  0.000000   0.037554  0.000000 )
(  -0.000000 -0.000000  -0.000000  0.000000   0.067129  0.000000 )
   freq (    3) =     3.29443607 [THz] =   109.89054309 [cm-1]
(  -0.000000  0.000000   0.989066  0.000000   0.053182  0.000000 )
(   0.000000 -0.000000  -0.000000 -0.000000  -0.000000 -0.000000 )
(  -0.000000 -0.000000   0.125161  0.000000   0.006730  0.000000 )
(   0.000000 -0.000000   0.000000 -0.000000   0.000000 -0.000000 )
(   0.000000 -0.000000   0.000000 -0.000000   0.000000 -0.000000 )
   freq (    4) =     3.29443607 [THz] =   109.89054309 [cm-1]
(   0.000000  0.000000  -0.077380 -0.000000   0.679767 -0.000000 )
(   0.000000 -0.000000   0.000000 -0.000000  -0.000000 -0.000000 )
(   0.000000  0.000000  -0.009792  0.000000   0.086021  0.000000 )
(  -0.000000 -0.000000   0.000000 -0.000000   0.000000 -0.000000 )
(   0.000000 -0.000000   0.000000 -0.000000   0.000000 -0.000000 )
   freq (    5) =     4.56689225 [THz] =   152.33510637 [cm-1]
(   0.967321  0.000000   0.000000  0.000000  -0.000000  0.000000 )
(   0.000000 -0.000000  -0.000000 -0.000000  -0.000000 -0.000000 )
(   0.253556 -0.000000   0.000000  0.000000  -0.000000  0.000000 )
(   0.000000 -0.000000   0.000000 -0.000000  -0.000000 -0.000000 )
(   0.000000 -0.000000   0.000000 -0.000000  -0.000000 -0.000000 )
   freq (    6) =     5.92251200 [THz] =   197.55370732 [cm-1]
(   0.000000  0.000000   0.000000  0.000000   0.000000  0.000000 )
(   0.000000  0.000000  -0.323416 -0.001115   0.000000 -0.001115 )
(  -0.000000 -0.000000  -0.000000 -0.000000  -0.000000 -0.000000 )
(   0.000000  0.000000  -0.563148 -0.001941   0.000000 -0.001941 )
(  -0.000000  0.000000  -0.760430 -0.002621   0.000000 -0.002621 )
   freq (    7) =     5.92339039 [THz] =   197.58300716 [cm-1]
(  -0.000000  0.000000  -0.000000  0.000000   0.000000  0.000000 )
(  -0.000000 -0.000000  -0.000000 -0.000000  -0.302329 -0.000000 )
(   0.000000 -0.000000  -0.000000  0.000000   0.000000  0.000000 )
(   0.000000 -0.000000  -0.000000 -0.000000  -0.711036 -0.000000 )
(  -0.000000 -0.000000  -0.000000 -0.000000  -0.526582 -0.000000 )
   freq (    8) =     8.23752987 [THz] =   274.77438039 [cm-1]
(   0.000000  0.000000   0.000000 -0.000000   0.000000 -0.000000 )
(  -0.000000  0.508529   0.000000  0.000000  -0.000000  0.000000 )
(  -0.000000  0.000000  -0.000000  0.000000   0.000000  0.000000 )
(  -0.000000  0.608851   0.000000  0.000000  -0.000000  0.000000 )
(  -0.000000  0.608851   0.000000  0.000000  -0.000000  0.000000 )
   freq (    9) =     9.69986249 [THz] =   323.55253924 [cm-1]
(  -0.000000  0.000000  -0.000000  0.000000   0.000000  0.000000 )
(   0.000000 -0.000000  -0.000000  0.000000  -0.000000  0.000000 )
(   0.000000  0.000000  -0.000000 -0.000000  -0.000000 -0.000000 )
(   0.297771  0.641352   0.000000  0.000000   0.000000  0.000000 )
(  -0.297771 -0.641352   0.000000  0.000000   0.000000  0.000000 )
   freq (   10) =     9.98389871 [THz] =   333.02696618 [cm-1]
(   0.000000  0.000000   0.014742  0.000000   0.000007  0.000000 )
(   0.000000 -0.000000   0.000000  0.000000   0.000000  0.000000 )
(  -0.000000  0.000000  -0.999891 -0.000000  -0.000487 -0.000000 )
(  -0.000000 -0.000000  -0.000000  0.000000   0.000000  0.000000 )
(   0.000000  0.000000   0.000000 -0.000000  -0.000000 -0.000000 )
   freq (   11) =     9.98389871 [THz] =   333.02696618 [cm-1]
(   0.000000  0.000000   0.000008  0.000000  -0.012509  0.000000 )
(   0.000000 -0.000000  -0.000000 -0.000000   0.000000 -0.000000 )
(  -0.000000  0.000000  -0.000573 -0.000000   0.848437 -0.000000 )
(   0.000000  0.000000  -0.000000 -0.000000  -0.000000 -0.000000 )
(  -0.000000 -0.000000  -0.000000  0.000000  -0.000000  0.000000 )
   freq (   12) =    12.94062922 [THz] =   431.65286608 [cm-1]
(  -0.000000  0.000000  -0.000000 -0.000000  -0.000000 -0.000000 )
(  -0.000000  0.000000  -0.000000 -0.000000  -0.018039 -0.000000 )
(   0.000000  0.000000   0.000000  0.000000   0.000000  0.000000 )
(  -0.000000 -0.000000  -0.000000 -0.000000   0.108919 -0.000000 )
(  -0.000000  0.000000   0.000000  0.000000  -0.116087  0.000000 )
   freq (   13) =    12.94117429 [THz] =   431.67104743 [cm-1]
(   0.000000  0.000000  -0.000000 -0.000000  -0.000000 -0.000000 )
(  -0.000000  0.000000   0.105809  0.038485  -0.000000  0.038485 )
(  -0.000000  0.000000   0.000000 -0.000000   0.000000 -0.000000 )
(   0.000000  0.000000   0.680974  0.247683   0.000000  0.247683 )
(  -0.000000 -0.000000  -0.638940 -0.232395  -0.000000 -0.232395 )
   freq (   14) =    15.55736014 [THz] =   518.93760166 [cm-1]
(   0.000000  0.000000   0.000000  0.000000  -0.000000  0.000000 )
(   0.000000 -0.492540  -0.000000 -0.000000  -0.000000 -0.000000 )
(  -0.000000 -0.000000  -0.000000  0.000000  -0.000000  0.000000 )
(   0.000000  0.615388  -0.000000 -0.000000   0.000000 -0.000000 )
(   0.000000  0.615388   0.000000  0.000000  -0.000000  0.000000 )
   freq (   15) =    19.51741838 [THz] =   651.03090699 [cm-1]
(  -0.030524  0.000000   0.000000  0.000000   0.000000  0.000000 )
(   0.000000 -0.000000  -0.000000  0.000000   0.000000  0.000000 )
(   0.999534 -0.000000  -0.000000  0.000000   0.000000  0.000000 )
(   0.000000  0.000000  -0.000000  0.000000   0.000000  0.000000 )
(   0.000000  0.000000   0.000000  0.000000  -0.000000  0.000000 )
***************************************************************************
