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quantum-espresso/PHonon/examples/GRID_recover_example/reference_2/matdyn.modes

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diagonalizing the dynamical matrix ...
q = 0.0000 0.0000 0.0000
**************************************************************************
freq ( 1) = 0.000000 [THz] = 0.000007 [cm-1]
( 0.690636 0.000000 -0.151717 0.000000 0.002016 0.000000 )
( 0.690636 0.000000 -0.151717 0.000000 0.002016 0.000000 )
freq ( 2) = 0.000000 [THz] = 0.000010 [cm-1]
( 0.141097 -0.000000 0.638724 -0.000000 -0.268557 0.000000 )
( 0.141097 -0.000000 0.638724 -0.000000 -0.268557 0.000000 )
freq ( 3) = 0.000000 [THz] = 0.000010 [cm-1]
( 0.055801 0.000000 0.262704 0.000000 0.654120 0.000000 )
( 0.055801 0.000000 0.262704 0.000000 0.654120 0.000000 )
freq ( 4) = 11.257887 [THz] = 375.522686 [cm-1]
( -0.665285 0.000000 -0.665285 0.000000 -0.000000 0.000000 )
( 0.239574 0.000000 0.239574 0.000000 0.000000 0.000000 )
freq ( 5) = 11.257887 [THz] = 375.522686 [cm-1]
( 0.384102 0.000000 -0.384102 0.000000 -0.768205 0.000000 )
( -0.138318 0.000000 0.138318 0.000000 0.276637 0.000000 )
freq ( 6) = 12.308255 [THz] = 410.559188 [cm-1]
( -0.543203 0.000000 0.543203 0.000000 -0.543203 0.000000 )
( 0.195612 0.000000 -0.195612 0.000000 0.195612 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.1667 0.1667 -0.1667
**************************************************************************
freq ( 1) = 1.293812 [THz] = 43.156939 [cm-1]
( -0.569499 -0.033690 -0.339013 -0.019757 0.230486 0.013933 )
( -0.577264 0.000744 -0.343617 0.000744 0.233646 -0.000000 )
freq ( 2) = 1.293812 [THz] = 43.156939 [cm-1]
( 0.062614 0.004109 -0.461865 -0.027596 -0.524479 -0.031705 )
( 0.063493 0.000327 -0.468179 0.000327 -0.531672 0.000000 )
freq ( 3) = 3.225594 [THz] = 107.594228 [cm-1]
( -0.317316 -0.219756 0.317316 0.219756 -0.317316 -0.219756 )
( -0.429361 0.000000 0.429361 0.000000 -0.429361 0.000000 )
freq ( 4) = 11.117761 [THz] = 370.848602 [cm-1]
( 0.308154 0.234049 0.712182 0.258473 0.404028 0.024424 )
( -0.114494 -0.076526 -0.258543 -0.076526 -0.144050 0.000000 )
freq ( 5) = 11.117761 [THz] = 370.848602 [cm-1]
( -0.642153 -0.172117 0.010787 -0.132647 0.652939 0.039470 )
( 0.231812 0.047353 -0.000983 0.047353 -0.232795 0.000000 )
freq ( 6) = 12.263879 [THz] = 409.078982 [cm-1]
( -0.451567 -0.312732 0.451567 0.312732 -0.451567 -0.312732 )
( 0.177818 -0.000000 -0.177818 0.000000 0.177818 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.3333 0.3333 -0.3333
**************************************************************************
freq ( 1) = 1.988456 [THz] = 66.327738 [cm-1]
( 0.378485 0.067406 -0.172558 0.042050 -0.551043 -0.025356 )
( 0.393874 0.051599 -0.176118 0.051599 -0.569992 0.000000 )
freq ( 2) = 1.988456 [THz] = 66.327738 [cm-1]
( 0.354586 0.221122 0.489086 0.227311 0.134501 0.006189 )
( 0.376506 0.211401 0.515632 0.211401 0.139126 0.000000 )
freq ( 3) = 5.552763 [THz] = 185.220249 [cm-1]
( 0.061103 0.295218 -0.061103 -0.295218 0.061103 0.295218 )
( 0.492388 -0.000000 -0.492388 -0.000000 0.492388 0.000000 )
freq ( 4) = 10.937263 [THz] = 364.827813 [cm-1]
( -0.015409 -0.406031 0.531174 -0.380880 0.546583 0.025151 )
( 0.011869 0.141107 -0.178819 0.141107 -0.190688 0.000000 )
freq ( 5) = 10.937263 [THz] = 364.827813 [cm-1]
( -0.531076 0.383830 0.011563 0.408799 0.542639 0.024969 )
( 0.178738 -0.142133 -0.010574 -0.142133 -0.189312 0.000000 )
freq ( 6) = 11.909497 [THz] = 397.258073 [cm-1]
( 0.114272 0.552107 -0.114272 -0.552107 0.114272 0.552107 )
( -0.124311 0.000000 0.124311 -0.000000 -0.124311 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.5000 0.5000
**************************************************************************
freq ( 1) = 2.009586 [THz] = 67.032582 [cm-1]
( 0.474544 0.000000 0.504735 0.000000 0.030192 -0.000000 )
( 0.493070 0.000000 0.524440 0.000000 0.031370 -0.000000 )
freq ( 2) = 2.009586 [THz] = 67.032582 [cm-1]
( 0.308840 0.000000 -0.256547 0.000000 -0.565387 0.000000 )
( 0.320897 0.000000 -0.266562 0.000000 -0.587459 0.000000 )
freq ( 3) = 6.491898 [THz] = 216.546409 [cm-1]
( 0.141623 0.000000 -0.141623 -0.000000 0.141623 0.000000 )
( -0.559711 0.000000 0.559711 -0.000000 -0.559711 0.000000 )
freq ( 4) = 10.939941 [THz] = 364.917153 [cm-1]
( 0.199804 0.000000 -0.545421 0.000000 -0.745224 0.000000 )
( -0.069247 -0.000000 0.189031 -0.000000 0.258278 0.000000 )
freq ( 5) = 10.939941 [THz] = 364.917153 [cm-1]
( -0.745154 0.000000 -0.545612 0.000000 0.199542 -0.000000 )
( 0.258254 -0.000000 0.189097 -0.000000 -0.069157 0.000000 )
freq ( 6) = 11.550995 [THz] = 385.299731 [cm-1]
( 0.574968 0.000000 -0.574968 -0.000000 0.574968 0.000000 )
( 0.052390 0.000000 -0.052390 -0.000000 0.052390 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.3333 0.0000
**************************************************************************
freq ( 1) = 1.788489 [THz] = 59.657563 [cm-1]
( 0.414070 0.176925 -0.000000 0.000000 0.516206 -0.166035 )
( 0.295212 0.126005 -0.000000 0.000000 0.632598 -0.000000 )
freq ( 2) = 1.788489 [THz] = 59.657563 [cm-1]
( -0.512537 0.177038 0.000000 -0.000000 0.224993 -0.390044 )
( -0.581815 -0.248336 0.000000 0.000000 0.320979 0.000000 )
freq ( 3) = 3.291146 [THz] = 109.780825 [cm-1]
( 0.000000 0.000000 0.579969 0.314654 -0.000000 0.000000 )
( 0.000000 0.000000 0.392822 0.640562 -0.000000 0.000000 )
freq ( 4) = 10.964986 [THz] = 365.752577 [cm-1]
( -0.097047 -0.721366 -0.000000 -0.000000 -0.448676 0.394219 )
( -0.107480 0.140177 0.000000 0.000000 0.286867 0.000000 )
freq ( 5) = 10.964986 [THz] = 365.752577 [cm-1]
( -0.192303 0.565454 0.000000 0.000000 -0.703525 0.186653 )
( 0.174550 -0.227651 0.000000 -0.000000 0.176640 0.000000 )
freq ( 6) = 12.382587 [THz] = 413.038648 [cm-1]
( -0.000000 0.000000 -0.375726 -0.876315 -0.000000 -0.000000 )
( 0.000000 -0.000000 -0.035659 0.299383 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.1667 0.5000 -0.1667
**************************************************************************
freq ( 1) = 2.309909 [THz] = 77.050271 [cm-1]
( 0.295612 -0.399166 -0.000000 0.000000 -0.295612 0.399166 )
( 0.503269 0.000000 -0.000000 0.000000 -0.503269 0.000000 )
freq ( 2) = 2.838146 [THz] = 94.670356 [cm-1]
( 0.409842 0.068141 0.351942 -0.086662 0.409842 0.068141 )
( 0.426273 0.000000 0.362163 0.169767 0.426273 0.000000 )
freq ( 3) = 4.918071 [THz] = 164.049197 [cm-1]
( -0.134849 -0.208071 0.426655 0.161663 -0.134849 -0.208071 )
( -0.318261 0.000000 0.594188 0.336504 -0.318261 0.000000 )
freq ( 4) = 10.713567 [THz] = 357.366130 [cm-1]
( -0.396529 0.535433 -0.000000 0.000000 0.396529 -0.535433 )
( 0.236804 -0.000000 0.000000 -0.000000 -0.236804 0.000000 )
freq ( 5) = 10.869444 [THz] = 362.565628 [cm-1]
( -0.602027 -0.208454 -0.259688 0.122738 -0.602027 -0.208454 )
( 0.212009 -0.000000 0.073410 0.102155 0.212009 0.000000 )
freq ( 6) = 11.987264 [THz] = 399.852075 [cm-1]
( -0.066684 -0.201727 0.763406 0.516429 -0.066684 -0.201727 )
( 0.044466 0.000000 -0.166365 -0.169112 0.044466 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6667 -0.3333 0.6667
**************************************************************************
freq ( 1) = 2.343341 [THz] = 78.165430 [cm-1]
( 0.277300 -0.405855 0.000000 -0.000000 -0.277300 0.405855 )
( 0.508317 -0.000000 0.000000 -0.000000 -0.508317 0.000000 )
freq ( 2) = 3.280899 [THz] = 109.438999 [cm-1]
( -0.323140 -0.065324 -0.477351 0.151100 -0.323140 -0.065324 )
( -0.336233 0.000000 -0.506214 -0.222653 -0.336233 0.000000 )
freq ( 3) = 6.093192 [THz] = 203.247005 [cm-1]
( 0.087184 -0.224511 -0.007593 0.128594 0.087184 -0.224511 )
( -0.499116 -0.000000 0.527964 0.300690 -0.499116 0.000000 )
freq ( 4) = 10.726834 [THz] = 357.808672 [cm-1]
( -0.376722 0.551369 -0.000000 -0.000000 0.376722 -0.551369 )
( 0.232536 -0.000000 0.000000 0.000000 -0.232536 0.000000 )
freq ( 5) = 10.836321 [THz] = 361.460752 [cm-1]
( -0.452244 -0.460805 -0.270453 0.060801 -0.452244 -0.460805 )
( 0.145996 -0.000000 0.064330 0.206541 0.145996 0.000000 )
freq ( 6) = 11.308748 [THz] = 377.219244 [cm-1]
( 0.251988 0.036822 -0.689794 0.603907 0.251988 0.036822 )
( 0.076215 0.000000 0.111746 -0.075286 0.076215 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.1667 0.5000
**************************************************************************
freq ( 1) = 2.387457 [THz] = 79.636979 [cm-1]
( -0.255596 0.415157 -0.000000 0.000000 0.255596 -0.415157 )
( -0.512167 0.000000 -0.000000 -0.000000 0.512167 0.000000 )
freq ( 2) = 3.287392 [THz] = 109.655579 [cm-1]
( 0.254515 0.079225 0.552509 -0.181209 0.254515 0.079225 )
( 0.273821 -0.000000 0.535602 0.288032 0.273821 0.000000 )
freq ( 3) = 5.803105 [THz] = 193.570756 [cm-1]
( 0.141368 0.180301 -0.245911 -0.176055 0.141368 0.180301 )
( -0.533397 -0.000000 0.404515 0.266251 -0.533397 0.000000 )
freq ( 4) = 10.791621 [THz] = 359.969729 [cm-1]
( -0.350683 0.569603 0.000000 0.000000 0.350683 -0.569603 )
( 0.229289 -0.000000 -0.000000 -0.000000 -0.229289 0.000000 )
freq ( 5) = 10.806343 [THz] = 360.460815 [cm-1]
( -0.564218 -0.230745 -0.379428 0.168575 -0.564218 -0.230745 )
( 0.064403 -0.000000 0.242002 0.132611 0.064403 0.000000 )
freq ( 6) = 11.341782 [THz] = 378.321132 [cm-1]
( 0.193552 0.302181 -0.816138 -0.163519 0.193552 0.302181 )
( 0.148568 0.000000 -0.006748 0.073748 0.148568 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3333 0.0000 0.3333
**************************************************************************
freq ( 1) = 1.871429 [THz] = 62.424166 [cm-1]
( -0.246295 0.426596 0.000000 0.000000 0.246295 -0.426596 )
( -0.507302 -0.000000 0.000000 0.000000 0.507302 0.000000 )
freq ( 2) = 2.893042 [THz] = 96.501505 [cm-1]
( 0.062128 -0.107608 -0.581623 -0.335800 0.062128 -0.107608 )
( -0.136618 -0.000000 0.000000 -0.693358 -0.136618 0.000000 )
freq ( 3) = 4.313553 [THz] = 143.884640 [cm-1]
( -0.204222 0.353722 -0.189206 -0.109238 -0.204222 0.353722 )
( -0.531227 0.000000 0.000000 0.232833 -0.531227 0.000000 )
freq ( 4) = 10.966172 [THz] = 365.792139 [cm-1]
( -0.333739 0.578053 0.000000 -0.000000 0.333739 -0.578053 )
( 0.233394 0.000000 -0.000000 -0.000000 -0.233394 0.000000 )
freq ( 5) = 11.041660 [THz] = 368.310140 [cm-1]
( 0.125988 -0.218218 -0.758450 -0.437891 0.125988 -0.218218 )
( 0.063660 0.000000 -0.000000 0.312915 0.063660 0.000000 )
freq ( 6) = 11.863612 [THz] = 395.727496 [cm-1]
( -0.319076 0.552656 -0.287259 -0.165849 -0.319076 0.552656 )
( 0.191977 -0.000000 0.000000 -0.042320 0.191977 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.6667 0.0000
**************************************************************************
freq ( 1) = 2.752970 [THz] = 91.829179 [cm-1]
( -0.152170 0.268717 -0.000000 0.000000 -0.156571 -0.614473 )
( -0.542621 -0.372703 -0.000000 0.000000 0.263054 0.000000 )
freq ( 2) = 2.752970 [THz] = 91.829179 [cm-1]
( 0.600353 0.204127 0.000000 -0.000000 0.279790 -0.130698 )
( 0.216833 0.148933 0.000000 0.000000 0.658290 0.000000 )
freq ( 3) = 5.631726 [THz] = 187.854156 [cm-1]
( 0.000000 -0.000000 -0.134374 0.459103 0.000000 0.000000 )
( 0.000000 0.000000 -0.853229 0.207771 -0.000000 0.000000 )
freq ( 4) = 10.461195 [THz] = 348.947902 [cm-1]
( 0.611985 -0.197969 0.000000 -0.000000 0.623574 0.289267 )
( -0.299055 -0.070321 0.000000 -0.000000 -0.139224 0.000000 )
freq ( 5) = 10.461195 [THz] = 348.947902 [cm-1]
( 0.456863 0.513611 -0.000000 -0.000000 0.013000 -0.643078 )
( 0.135527 0.031868 0.000000 0.000000 -0.307211 0.000000 )
freq ( 6) = 12.306991 [THz] = 410.517039 [cm-1]
( -0.000000 0.000000 -0.142286 -0.970928 -0.000000 -0.000000 )
( 0.000000 -0.000000 -0.150987 0.119402 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.8333 -0.1667 0.8333
**************************************************************************
freq ( 1) = 2.792366 [THz] = 93.143298 [cm-1]
( -0.228788 -0.439243 -0.000000 0.000000 0.228788 0.439243 )
( 0.504700 -0.000000 -0.000000 -0.000000 -0.504700 0.000000 )
freq ( 2) = 3.582113 [THz] = 119.486418 [cm-1]
( 0.431773 0.200788 0.139393 -0.132173 0.431773 0.200788 )
( 0.484716 -0.000000 0.078707 0.183077 0.484716 0.000000 )
freq ( 3) = 6.123623 [THz] = 204.262080 [cm-1]
( 0.096982 -0.070176 0.221158 0.109305 0.096982 -0.070176 )
( -0.211827 -0.000000 0.264207 0.866565 -0.211827 0.000000 )
freq ( 4) = 10.451037 [THz] = 348.609060 [cm-1]
( -0.580586 -0.328445 0.060911 0.022247 -0.580586 -0.328445 )
( 0.210286 0.000000 -0.021319 0.130339 0.210286 -0.000000 )
freq ( 5) = 10.470893 [THz] = 349.271400 [cm-1]
( -0.307990 -0.591302 -0.000000 -0.000000 0.307990 0.591302 )
( -0.235593 -0.000000 0.000000 -0.000000 0.235593 0.000000 )
freq ( 6) = 11.790226 [THz] = 393.279601 [cm-1]
( 0.016008 0.028530 -0.587071 0.798045 0.016008 0.028530 )
( 0.049679 0.000000 0.106280 0.009962 0.049679 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6667 0.0000 0.6667
**************************************************************************
freq ( 1) = 2.801250 [THz] = 93.439657 [cm-1]
( -0.243398 -0.421578 -0.000000 0.000000 0.243398 0.421578 )
( 0.512863 0.000000 -0.000000 -0.000000 -0.512863 0.000000 )
freq ( 2) = 4.187839 [THz] = 139.691284 [cm-1]
( 0.196096 0.339648 0.383001 -0.221126 0.196096 0.339648 )
( 0.375080 0.000000 -0.000000 0.464127 0.375080 0.000000 )
freq ( 3) = 5.979253 [THz] = 199.446412 [cm-1]
( 0.057369 0.099367 -0.106199 0.061314 0.057369 0.099367 )
( -0.465539 0.000000 0.000000 0.724693 -0.465539 0.000000 )
freq ( 4) = 10.314325 [THz] = 344.048845 [cm-1]
( -0.338652 -0.586562 0.125035 -0.072189 -0.338652 -0.586562 )
( 0.095354 0.000000 -0.000000 0.208540 0.095354 -0.000000 )
freq ( 5) = 10.557615 [THz] = 352.164143 [cm-1]
( -0.334550 -0.579458 0.000000 -0.000000 0.334550 0.579458 )
( -0.228702 -0.000000 0.000000 -0.000000 0.228702 0.000000 )
freq ( 6) = 11.260693 [THz] = 375.616289 [cm-1]
( -0.000676 -0.001171 -0.843961 0.487261 -0.000676 -0.001171 )
( 0.135965 -0.000000 0.000000 0.115458 0.135965 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 -1.0000 0.0000
**************************************************************************
freq ( 1) = 2.840016 [THz] = 94.732752 [cm-1]
( 0.007082 -0.000000 -0.000000 0.000000 -0.707639 -0.000000 )
( -0.706504 -0.000000 0.000000 -0.000000 0.007071 0.000000 )
freq ( 2) = 2.840016 [THz] = 94.732752 [cm-1]
( 0.707639 -0.000000 -0.000000 -0.000000 0.007082 0.000000 )
( 0.007071 0.000000 -0.000000 0.000000 0.706504 0.000000 )
freq ( 3) = 6.562489 [THz] = 218.901059 [cm-1]
( 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 )
( 0.000000 -0.000000 -1.000000 0.000000 -0.000000 0.000000 )
freq ( 4) = 10.441942 [THz] = 348.305688 [cm-1]
( 0.940539 -0.000000 -0.000000 0.000000 -0.016375 0.000000 )
( 0.005906 0.000000 0.000000 0.000000 -0.339239 0.000000 )
freq ( 5) = 10.441942 [THz] = 348.305688 [cm-1]
( -0.016375 -0.000000 0.000000 0.000000 -0.940539 -0.000000 )
( 0.339239 0.000000 0.000000 0.000000 0.005906 0.000000 )
freq ( 6) = 12.209979 [THz] = 407.281049 [cm-1]
( -0.000000 -0.000000 -1.000000 0.000000 -0.000000 0.000000 )
( 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6667 -0.3333 1.0000
**************************************************************************
freq ( 1) = 3.039087 [THz] = 101.373029 [cm-1]
( -0.314584 -0.544876 -0.137843 -0.238752 0.086808 -0.050118 )
( 0.000000 -0.546184 0.000000 -0.352419 -0.309159 0.000000 )
freq ( 2) = 3.541649 [THz] = 118.136687 [cm-1]
( 0.131331 0.227473 -0.092205 -0.159704 0.533914 -0.308255 )
( 0.000000 -0.418223 0.000000 0.087091 0.578291 0.000000 )
freq ( 3) = 5.566404 [THz] = 185.675244 [cm-1]
( 0.048052 0.083228 -0.176256 -0.305284 -0.224108 0.129389 )
( -0.000000 0.290312 0.000000 -0.761564 0.367794 0.000000 )
freq ( 4) = 10.472048 [THz] = 349.309923 [cm-1]
( -0.471785 -0.817155 0.035770 0.061956 0.046443 -0.026814 )
( 0.000000 0.166329 -0.000000 0.119967 0.244183 0.000000 )
freq ( 5) = 10.811891 [THz] = 360.645851 [cm-1]
( -0.000131 -0.000227 -0.135559 -0.234795 0.785942 -0.453764 )
( 0.000000 0.253665 0.000000 -0.059521 -0.187082 0.000000 )
freq ( 6) = 11.432032 [THz] = 381.331534 [cm-1]
( -0.003445 -0.005967 -0.470157 -0.814337 -0.237650 0.137207 )
( 0.000000 0.032212 0.000000 0.198379 -0.008083 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.1667 0.8333
**************************************************************************
freq ( 1) = 3.209792 [THz] = 107.067144 [cm-1]
( 0.013178 0.606546 -0.061954 0.232229 -0.071982 -0.229319 )
( -0.440378 0.267172 -0.163663 0.314250 0.354314 0.000000 )
freq ( 2) = 3.949862 [THz] = 131.753229 [cm-1]
( 0.241929 0.236793 0.141579 -0.401983 0.398853 -0.150171 )
( 0.110588 -0.431172 0.352801 0.193718 0.402486 0.000000 )
freq ( 3) = 5.954389 [THz] = 198.617023 [cm-1]
( -0.134367 0.060279 0.111481 -0.088389 -0.140146 0.024494 )
( 0.293103 0.211690 -0.199714 -0.603049 0.635259 0.000000 )
freq ( 4) = 10.435554 [THz] = 348.092610 [cm-1]
( -0.040179 -0.893278 0.167894 0.175851 0.151429 -0.190214 )
( -0.053149 0.033958 -0.083116 0.179474 0.197786 0.000000 )
freq ( 5) = 10.822469 [THz] = 360.998717 [cm-1]
( 0.041610 0.020841 0.263320 0.620788 -0.654847 0.160906 )
( -0.016363 -0.275818 0.077106 -0.009181 0.077650 0.000000 )
freq ( 6) = 10.898798 [THz] = 363.544785 [cm-1]
( -0.123476 -0.169949 -0.671471 -0.073036 -0.138029 0.661177 )
( -0.009402 0.021117 0.098026 0.108867 0.146495 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.3333 -1.0000 0.0000
**************************************************************************
freq ( 1) = 3.478594 [THz] = 116.033403 [cm-1]
( 0.627738 0.362425 0.000000 -0.000000 0.000000 0.000000 )
( 0.000000 0.000000 0.000000 0.258580 0.638537 0.000000 )
freq ( 2) = 3.713428 [THz] = 123.866631 [cm-1]
( -0.000000 -0.000000 0.141514 -0.215709 0.514402 0.337468 )
( 0.743739 0.042447 -0.000000 -0.000000 -0.000000 0.000000 )
freq ( 3) = 6.148236 [THz] = 205.083067 [cm-1]
( -0.119678 -0.069096 0.000000 -0.000000 0.000000 0.000000 )
( 0.000000 0.000000 -0.000000 -0.897054 0.419759 0.000000 )
freq ( 4) = 10.427654 [THz] = 347.829087 [cm-1]
( -0.000000 -0.000000 0.002548 -0.092517 -0.957128 -0.026363 )
( 0.240280 -0.130040 -0.000000 0.000000 0.000000 -0.000000 )
freq ( 5) = 10.515436 [THz] = 350.757174 [cm-1]
( -0.808095 -0.466554 0.000000 0.000000 0.000000 -0.000000 )
( -0.000000 0.000000 0.000000 0.193572 0.303052 0.000000 )
freq ( 6) = 11.314468 [THz] = 377.410043 [cm-1]
( 0.000000 0.000000 0.988691 -0.085426 -0.000149 -0.001725 )
( -0.070581 -0.101032 -0.000000 0.000000 -0.000000 0.000000 )
**************************************************************************
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