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 = (    -0.125628130861    -0.125628130861    -0.125628130861 )

    1    1
     0.1861525050000001     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.1861525050000001     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.1861525050000001    -0.0000000000000000
    1    2
     0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000        0.0000000000000000    -0.0000000000000000
     0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000
     0.0000000000000000    -0.0000000000000000        0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000
    1    3
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0067542839738920    -0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0067542839738920    -0.0000000000000000        0.0000000000000000     0.0000000000000000
    1    4
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0067542839738920    -0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000
    -0.0067542839738920    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
    1    5
     0.0000000000000000     0.0000000000000000       -0.0067542839738920    -0.0000000000000000        0.0000000000000000     0.0000000000000000
    -0.0067542839738920    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
    2    1
     0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000
    2    2
     0.5653875100000001     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.5653875100000001     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.5653875100000002     0.0000000000000000
    2    3
     0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
    2    4
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
    2    5
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000
    3    1
     0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000       -0.0067542839738920     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0067542839738920     0.0000000000000000        0.0000000000000000    -0.0000000000000000
    3    2
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000
    3    3
     0.3218389443502762    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.1260538187039170    -0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.1260538187039170    -0.0000000000000000
    3    4
     0.0000000000000000     0.0000000000000000        0.0872244498864840     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.1727811848940081     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000
    3    5
     0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0872244498864840    -0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.1727811848940081    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000
    4    1
     0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000       -0.0067542839738920     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
    -0.0067542839738920     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000
    4    2
     0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000
    4    3
     0.0000000000000000    -0.0000000000000000        0.0872244498864840    -0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.1727811848940081    -0.0000000000000000        0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
    4    4
     0.1260538187039170     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.3218389443502762     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.1260538187039170    -0.0000000000000000
    4    5
     0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0872244498864840     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.1727811848940081     0.0000000000000000        0.0000000000000000     0.0000000000000000
    5    1
     0.0000000000000000    -0.0000000000000000       -0.0067542839738920     0.0000000000000000        0.0000000000000000     0.0000000000000000
    -0.0067542839738920     0.0000000000000000        0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000
    5    2
     0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000       -0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
    5    3
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0872244498864840     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.1727811848940081     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
    5    4
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000    -0.0000000000000000        0.0872244498864840    -0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.1727811848940081    -0.0000000000000000        0.0000000000000000    -0.0000000000000000
    5    5
     0.1260538187039170    -0.0000000000000000        0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.1260538187039170    -0.0000000000000000        0.0000000000000000     0.0000000000000000
     0.0000000000000000     0.0000000000000000        0.0000000000000000     0.0000000000000000        0.3218389443502762     0.0000000000000000

     Diagonalizing the dynamical matrix

     q = (    -0.125628130861    -0.125628130861    -0.125628130861 )

***************************************************************************
   freq (    1) =     4.00691951 [THz] =   133.65642904 [cm-1]
(  -0.005840  0.000000  -0.998624 -0.000013   0.005046 -0.000013 )
(  -0.000000 -0.000000  -0.000000  0.000000   0.000000  0.000000 )
(  -0.000000  0.000000   0.000178  0.000513  -0.035195  0.000513 )
(   0.000178  0.000513  -0.000000 -0.000000  -0.000206 -0.000000 )
(  -0.035195 -0.000000  -0.000206 -0.000000   0.000000 -0.000000 )
   freq (    2) =     4.00691951 [THz] =   133.65642904 [cm-1]
(   0.998742  0.000000  -0.005818 -0.000000   0.000483 -0.000000 )
(  -0.000000  0.000000   0.000000 -0.000000  -0.000000 -0.000000 )
(   0.000000  0.000000   0.000017  0.000048  -0.000205  0.000048 )
(   0.000017  0.000048  -0.000000 -0.000000   0.035199 -0.000000 )
(  -0.000205 -0.000000   0.035199 -0.000000  -0.000000 -0.000000 )
   freq (    3) =     4.00691951 [THz] =   133.65642904 [cm-1]
(  -0.001343  0.000000   0.015407 -0.000161   0.337072 -0.000161 )
(  -0.000000 -0.000000   0.000000  0.000000  -0.000000  0.000000 )
(   0.000000 -0.000000   0.011880  0.033130   0.000543  0.033130 )
(   0.011880  0.033130  -0.000000  0.000000  -0.000047  0.000000 )
(   0.000543 -0.000006  -0.000047 -0.000000  -0.000000 -0.000000 )
   freq (    4) =     5.36832168 [THz] =   179.06791068 [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   0.004317 -0.325688   0.001077 -0.325688 )
(  -0.004317  0.325688   0.000000  0.000000  -0.466122  0.000000 )
(  -0.001077  0.417301   0.466122  0.049979   0.000000  0.049979 )
   freq (    5) =     5.36832168 [THz] =   179.06791068 [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   0.203096  0.339586  -0.252699  0.339586 )
(  -0.203096 -0.339586  -0.000000  0.000000   0.203896  0.000000 )
(   0.252699  0.484098  -0.203896  0.060436   0.000000  0.060436 )
   freq (    6) =     5.36832168 [THz] =   179.06791068 [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  -0.107560 -0.475156  -0.008225 -0.475156 )
(   0.107560  0.475156  -0.000000 -0.000000   0.483476 -0.000000 )
(   0.008225  0.166084  -0.483476  0.035461   0.000000  0.035461 )
   freq (    7) =    10.51806040 [THz] =   350.84467984 [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 )
(  -0.000154  0.238481   0.000000  0.000000  -0.000000  0.000000 )
(  -0.000000  0.000000  -0.423143 -0.646716  -0.000000 -0.646716 )
(  -0.000000 -0.000000   0.000000 -0.000000   0.423297 -0.000000 )
   freq (    8) =    10.51806040 [THz] =   350.84467984 [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 )
(   0.000047  0.780893   0.000000 -0.000000   0.000000 -0.000000 )
(  -0.000000  0.000000   0.129340 -0.229449  -0.000000 -0.229449 )
(   0.000000  0.000000   0.000000  0.000000  -0.129387  0.000000 )
   freq (    9) =    11.84309504 [THz] =   395.04307161 [cm-1]
(  -0.000000  0.000000  -0.000000 -0.000000   0.000000 -0.000000 )
(   0.516002  0.262584   0.021649 -0.402325   0.094962 -0.402325 )
(  -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 )
   freq (   10) =    11.84309504 [THz] =   395.04307161 [cm-1]
(   0.000000  0.000000  -0.000000  0.000000  -0.000000  0.000000 )
(   0.782705  0.108793   0.079627  0.480675   0.104009  0.480675 )
(  -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 )
   freq (   11) =    11.84309504 [THz] =   395.04307161 [cm-1]
(  -0.000000  0.000000  -0.000000 -0.000000  -0.000000 -0.000000 )
(  -0.173732  0.100721   0.472106  0.614323  -0.363848  0.614323 )
(   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 )
   freq (   12) =    12.58311412 [THz] =   419.72744753 [cm-1]
(   0.001065  0.000000  -0.003633 -0.003103  -0.001951 -0.003103 )
(  -0.000000 -0.000000   0.000000  0.000000  -0.000000  0.000000 )
(   0.000000 -0.000000   0.237588 -0.297025   0.442420 -0.297025 )
(   0.237588 -0.297025  -0.000000 -0.000000  -0.129726 -0.000000 )
(   0.442420  0.377819  -0.129726 -0.000000   0.000000 -0.000000 )
   freq (   13) =    12.58311412 [THz] =   419.72744753 [cm-1]
(  -0.000870  0.000000  -0.003243 -0.000129  -0.000147 -0.000129 )
(   0.000000 -0.000000  -0.000000  0.000000  -0.000000  0.000000 )
(  -0.000000 -0.000000   0.017936  0.576359   0.394959  0.576359 )
(   0.017936  0.576359  -0.000000  0.000000   0.105982  0.000000 )
(   0.394959  0.015730   0.105982  0.000000   0.000000  0.000000 )
   freq (   14) =    12.58311412 [THz] =   419.72744753 [cm-1]
(   0.005641  0.000000   0.000186  0.000566   0.000346  0.000566 )
(   0.000000 -0.000000  -0.000000 -0.000000   0.000000 -0.000000 )
(  -0.000000  0.000000  -0.042099  0.145008  -0.022614  0.145008 )
(  -0.042099  0.145008   0.000000  0.000000  -0.686966  0.000000 )
(  -0.022614 -0.068920  -0.686966  0.000000  -0.000000  0.000000 )
   freq (   15) =    22.25624506 [THz] =   742.38831848 [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  0.577350   0.000000 -0.000000  -0.000000 -0.000000 )
(  -0.000000  0.000000   0.000000  0.577350  -0.000000  0.577350 )
(  -0.000000  0.000000   0.000000  0.000000   0.000000  0.000000 )
***************************************************************************
