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
    0.0000000000000000     3.9800003118112213     0.0000000000000000
    0.0000000000000000     0.0000000000000000     3.9800003118112213
	1  'Ba '  125165.9077335107867839
	2  'Ti '  43628.1030349454958923
	3  'O '  14582.5615078719583835
    1     1     1.9900001559056106     1.9900001559056106     1.9900001559056106
    2     2     0.0000000000000000     0.0000000000000000     0.0000000000000000
    3     3     1.9900001559056106     0.0000000000000000     0.0000000000000000
    4     3     0.0000000000000000     1.9900001559056106     0.0000000000000000
    5     3     0.0000000000000000     0.0000000000000000     1.9900001559056106

     Dynamical Matrix in cartesian axes

     q = (     0.000000000000     0.000000000000     0.000000000000 )

    1    1
     0.1327707850000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.1327707850000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.1327707850000000     0.0000000000000000
    1    2
    -0.0719598800000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0719598800000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0719598800000000     0.0000000000000000
    1    3
    -0.0260537736168880     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0167563376780480     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0167563376780480     0.0000000000000000
    1    4
    -0.0167563376780480     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0260537736168880     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0167563376780480     0.0000000000000000
    1    5
    -0.0167563376780480     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0167563376780480     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0260537736168880     0.0000000000000000
    2    1
    -0.0719598800000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0719598800000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0719598800000000     0.0000000000000000
    2    2
    -0.0045894000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0045894000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0045894000000000     0.0000000000000000
    2    3
     0.0988403758237480     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0103209517914000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0103209517914000     0.0000000000000000
    2    4
    -0.0103209517914000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0988403758237480     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0103209517914000     0.0000000000000000
    2    5
    -0.0103209517914000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0103209517914000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0988403758237480     0.0000000000000000
    3    1
    -0.0260537736168880     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0167563376780480     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0167563376780480     0.0000000000000000
    3    2
     0.0988403758237480     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0103209517914000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0103209517914000     0.0000000000000000
    3    3
     0.1160937812847000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.1085196635665630     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.1085196635665630     0.0000000000000000
    3    4
    -0.0943690638746640     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0944401917457799     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0129265907826000     0.0000000000000000
    3    5
    -0.0943690638746640     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0129265907826000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0944401917457799     0.0000000000000000
    4    1
    -0.0167563376780480     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0260537736168880     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0167563376780480     0.0000000000000000
    4    2
    -0.0103209517914000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0988403758237480     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0103209517914000     0.0000000000000000
    4    3
    -0.0943690638746640     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0944401917457799     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0129265907826000     0.0000000000000000
    4    4
     0.1085196635665630     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.1160937812847000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.1085196635665630     0.0000000000000000
    4    5
     0.0129265907826000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0943690638746640     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0000000000000000     0.0000000000000000       -0.0944401917457799     0.0000000000000000
    5    1
    -0.0167563376780480     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0167563376780480     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0260537736168880     0.0000000000000000
    5    2
    -0.0103209517914000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0103209517914000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0988403758237480     0.0000000000000000
    5    3
    -0.0943690638746640     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0129265907826000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0944401917457799     0.0000000000000000
    5    4
     0.0129265907826000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0943690638746640     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0000000000000000     0.0000000000000000       -0.0944401917457799     0.0000000000000000
    5    5
     0.1085196635665630     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.1085196635665630     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.1160937812847000     0.0000000000000000

     Diagonalizing the dynamical matrix

     q = (     0.000000000000     0.000000000000     0.000000000000 )

***************************************************************************
   freq (    1) =    -5.89132293 [THz] =  -196.51335221 [cm-1]
(   0.000000  0.000000   0.000000  0.000000   0.004807  0.000000 )
(   0.000000  0.000000   0.000000  0.000000   0.466313  0.000000 )
(  -0.000000  0.000000  -0.000000  0.000000  -0.370859  0.000000 )
(  -0.000000  0.000000  -0.000000  0.000000  -0.370859  0.000000 )
(  -0.000000  0.000000  -0.000000  0.000000  -0.712360  0.000000 )
   freq (    2) =    -5.88967212 [THz] =  -196.45828696 [cm-1]
(  -0.000000  0.000000  -0.004859  0.000000   0.000000  0.000000 )
(  -0.000000  0.000000  -0.466601  0.000000   0.000000  0.000000 )
(   0.000000  0.000000   0.370897  0.000000  -0.000000  0.000000 )
(   0.000000  0.000000   0.712317  0.000000  -0.000000  0.000000 )
(   0.000000  0.000000   0.370541  0.000000  -0.000000  0.000000 )
   freq (    3) =    -5.88802139 [THz] =  -196.40322464 [cm-1]
(  -0.004910  0.000000   0.000000  0.000000  -0.000000  0.000000 )
(  -0.466888  0.000000   0.000000  0.000000   0.000000  0.000000 )
(   0.712274  0.000000  -0.000000  0.000000  -0.000000  0.000000 )
(   0.370579  0.000000  -0.000000  0.000000  -0.000000  0.000000 )
(   0.370579  0.000000  -0.000000  0.000000  -0.000000  0.000000 )
   freq (    4) =     0.37489718 [THz] =    12.50522221 [cm-1]
(   0.000000  0.000000  -0.000000  0.000000   0.449388  0.000000 )
(   0.000000  0.000000  -0.000000  0.000000   0.450531  0.000000 )
(   0.000000  0.000000  -0.000000  0.000000   0.446135  0.000000 )
(   0.000000  0.000000  -0.000000  0.000000   0.446135  0.000000 )
(   0.000000  0.000000  -0.000000  0.000000   0.443846  0.000000 )
   freq (    5) =     0.38427847 [THz] =    12.81814805 [cm-1]
(  -0.000000  0.000000  -0.449502  0.000000  -0.000000  0.000000 )
(  -0.000000  0.000000  -0.450131  0.000000  -0.000000  0.000000 )
(  -0.000000  0.000000  -0.446345  0.000000  -0.000000  0.000000 )
(  -0.000000  0.000000  -0.444048  0.000000  -0.000000  0.000000 )
(  -0.000000  0.000000  -0.446013  0.000000  -0.000000  0.000000 )
   freq (    6) =     0.39344431 [THz] =    13.12388768 [cm-1]
(   0.449616  0.000000  -0.000000  0.000000  -0.000000  0.000000 )
(   0.449730  0.000000  -0.000000  0.000000  -0.000000  0.000000 )
(   0.444250  0.000000  -0.000000  0.000000  -0.000000  0.000000 )
(   0.446223  0.000000  -0.000000  0.000000  -0.000000  0.000000 )
(   0.446223  0.000000  -0.000000  0.000000  -0.000000  0.000000 )
   freq (    7) =     5.27073229 [THz] =   175.81267945 [cm-1]
(   0.000000  0.000000   0.000000  0.000000  -0.331711  0.000000 )
(  -0.000000  0.000000  -0.000000  0.000000   0.487494  0.000000 )
(  -0.000000  0.000000  -0.000000  0.000000   0.481625  0.000000 )
(  -0.000000  0.000000  -0.000000  0.000000   0.481625  0.000000 )
(  -0.000000  0.000000  -0.000000  0.000000   0.434042  0.000000 )
   freq (    8) =     5.27163978 [THz] =   175.84295006 [cm-1]
(  -0.000000  0.000000   0.331487  0.000000   0.000000  0.000000 )
(   0.000000  0.000000  -0.487315  0.000000  -0.000000  0.000000 )
(   0.000000  0.000000  -0.481985  0.000000  -0.000000  0.000000 )
(   0.000000  0.000000  -0.434203  0.000000  -0.000000  0.000000 )
(   0.000000  0.000000  -0.481454  0.000000  -0.000000  0.000000 )
   freq (    9) =     5.27254871 [THz] =   175.87326873 [cm-1]
(  -0.331263  0.000000  -0.000000  0.000000  -0.000000  0.000000 )
(   0.487136  0.000000   0.000000  0.000000   0.000000  0.000000 )
(   0.434365  0.000000   0.000000  0.000000   0.000000  0.000000 )
(   0.481814  0.000000   0.000000  0.000000   0.000000  0.000000 )
(   0.481814  0.000000   0.000000  0.000000   0.000000  0.000000 )
   freq (   10) =     8.42309263 [THz] =   280.96408713 [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  -0.011767  0.000000 )
(   0.707009  0.000000   0.000000  0.000000   0.011767  0.000000 )
(  -0.707009  0.000000   0.000000  0.000000  -0.000000  0.000000 )
   freq (   11) =     8.42309263 [THz] =   280.96408713 [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  -0.707009  0.000000 )
(  -0.011767  0.000000   0.000000  0.000000   0.707009  0.000000 )
(   0.011767  0.000000   0.000000  0.000000   0.000000  0.000000 )
   freq (   12) =     8.42309281 [THz] =   280.96409302 [cm-1]
(  -0.000000  0.000000   0.000018  0.000000  -0.000000  0.000000 )
(   0.000000  0.000000  -0.000011  0.000000  -0.000000  0.000000 )
(   0.000000  0.000000   0.706823  0.000000  -0.000000  0.000000 )
(   0.000000  0.000000  -0.000080  0.000000   0.000000  0.000000 )
(  -0.000000  0.000000  -0.707390  0.000000  -0.000000  0.000000 )
   freq (   13) =    13.90528228 [THz] =   463.83022401 [cm-1]
(  -0.004539  0.000000   0.000000  0.000000   0.000000  0.000000 )
(   0.103175  0.000000   0.000000  0.000000   0.000000  0.000000 )
(   0.712626  0.000000  -0.000000  0.000000  -0.000000  0.000000 )
(  -0.490662  0.000000   0.000000  0.000000  -0.000000  0.000000 )
(  -0.490662  0.000000  -0.000000  0.000000   0.000000  0.000000 )
   freq (   14) =    13.90658213 [THz] =   463.87358228 [cm-1]
(  -0.000000  0.000000   0.004538  0.000000  -0.000000  0.000000 )
(   0.000000  0.000000  -0.103155  0.000000   0.000000  0.000000 )
(   0.000000  0.000000   0.490821  0.000000  -0.000000  0.000000 )
(  -0.000000  0.000000  -0.712621  0.000000  -0.000000  0.000000 )
(  -0.000000  0.000000   0.490514  0.000000   0.000000  0.000000 )
   freq (   15) =    13.90788147 [THz] =   463.91692349 [cm-1]
(   0.000000  0.000000  -0.000000  0.000000  -0.004536  0.000000 )
(  -0.000000  0.000000   0.000000  0.000000   0.103136  0.000000 )
(  -0.000000  0.000000  -0.000000  0.000000  -0.490673  0.000000 )
(   0.000000  0.000000   0.000000  0.000000  -0.490673  0.000000 )
(   0.000000  0.000000  -0.000000  0.000000   0.712616  0.000000 )
***************************************************************************
