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quantum-espresso/PHonon/examples/example14/reference/matdyn.modes

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diagonalizing the dynamical matrix ...
q = 0.0000 0.0000 0.0000
**************************************************************************
freq ( 1) = 0.000000 [THz] = 0.000000 [cm-1]
( 0.516348 0.000000 -0.856375 0.000000 -0.002682 0.000000 )
freq ( 2) = 0.000000 [THz] = 0.000002 [cm-1]
( 0.852840 0.000000 0.513927 0.000000 0.092427 0.000000 )
freq ( 3) = 0.000000 [THz] = 0.000004 [cm-1]
( -0.077774 0.000000 -0.050012 0.000000 0.995716 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0250 0.0000 0.0000
**************************************************************************
freq ( 1) = 0.208143 [THz] = 6.942919 [cm-1]
( -0.000000 0.000000 0.999990 -0.000000 0.004517 -0.000000 )
freq ( 2) = 0.208143 [THz] = 6.942919 [cm-1]
( 0.000000 0.000000 -0.004517 0.000000 0.999990 0.000000 )
freq ( 3) = 0.344337 [THz] = 11.485847 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0500 0.0000 0.0000
**************************************************************************
freq ( 1) = 0.416391 [THz] = 13.889305 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000752 -0.000000 )
freq ( 2) = 0.416391 [THz] = 13.889305 [cm-1]
( 0.000000 0.000000 -0.000752 0.000000 1.000000 0.000000 )
freq ( 3) = 0.688141 [THz] = 22.953897 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0750 0.0000 0.0000
**************************************************************************
freq ( 1) = 0.624850 [THz] = 20.842757 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000726 -0.000000 )
freq ( 2) = 0.624850 [THz] = 20.842757 [cm-1]
( 0.000000 0.000000 -0.000726 0.000000 1.000000 0.000000 )
freq ( 3) = 1.030900 [THz] = 34.387134 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1000 0.0000 0.0000
**************************************************************************
freq ( 1) = 0.833636 [THz] = 27.807092 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 -0.000195 0.000000 )
freq ( 2) = 0.833636 [THz] = 27.807092 [cm-1]
( 0.000000 0.000000 0.000195 0.000000 1.000000 0.000000 )
freq ( 3) = 1.372152 [THz] = 45.770048 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1250 0.0000 0.0000
**************************************************************************
freq ( 1) = 1.042868 [THz] = 34.786318 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 -0.000021 0.000000 )
freq ( 2) = 1.042868 [THz] = 34.786318 [cm-1]
( -0.000000 0.000000 0.000021 0.000000 1.000000 0.000000 )
freq ( 3) = 1.711492 [THz] = 57.089232 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1500 0.0000 0.0000
**************************************************************************
freq ( 1) = 1.252668 [THz] = 41.784492 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000204 -0.000000 )
freq ( 2) = 1.252668 [THz] = 41.784492 [cm-1]
( 0.000000 0.000000 -0.000204 0.000000 1.000000 0.000000 )
freq ( 3) = 2.048597 [THz] = 68.333826 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1750 0.0000 0.0000
**************************************************************************
freq ( 1) = 1.463149 [THz] = 48.805408 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000217 -0.000000 )
freq ( 2) = 1.463149 [THz] = 48.805408 [cm-1]
( 0.000000 0.000000 -0.000217 0.000000 1.000000 0.000000 )
freq ( 3) = 2.383222 [THz] = 79.495740 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2000 0.0000 0.0000
**************************************************************************
freq ( 1) = 1.674405 [THz] = 55.852144 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000108 -0.000000 )
freq ( 2) = 1.674405 [THz] = 55.852144 [cm-1]
( 0.000000 0.000000 -0.000108 0.000000 1.000000 0.000000 )
freq ( 3) = 2.715210 [THz] = 90.569653 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2250 0.0000 0.0000
**************************************************************************
freq ( 1) = 1.886489 [THz] = 62.926484 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000104 -0.000000 )
freq ( 2) = 1.886489 [THz] = 62.926484 [cm-1]
( 0.000000 0.000000 -0.000104 0.000000 1.000000 0.000000 )
freq ( 3) = 3.044476 [THz] = 101.552774 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 0.0000 0.0000
**************************************************************************
freq ( 1) = 2.099394 [THz] = 70.028242 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 -0.000025 0.000000 )
freq ( 2) = 2.099394 [THz] = 70.028242 [cm-1]
( -0.000000 0.000000 0.000025 0.000000 1.000000 0.000000 )
freq ( 3) = 3.370997 [THz] = 112.444369 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2750 0.0000 0.0000
**************************************************************************
freq ( 1) = 2.313036 [THz] = 77.154565 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000009 -0.000000 )
freq ( 2) = 2.313036 [THz] = 77.154565 [cm-1]
( 0.000000 0.000000 -0.000009 0.000000 1.000000 0.000000 )
freq ( 3) = 3.694795 [THz] = 123.245086 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3000 0.0000 0.0000
**************************************************************************
freq ( 1) = 2.527228 [THz] = 84.299254 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000031 -0.000000 )
freq ( 2) = 2.527228 [THz] = 84.299254 [cm-1]
( 0.000000 0.000000 -0.000031 0.000000 1.000000 0.000000 )
freq ( 3) = 4.015904 [THz] = 133.956123 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3250 0.0000 0.0000
**************************************************************************
freq ( 1) = 2.741668 [THz] = 91.452194 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 2.741668 [THz] = 91.452194 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 4.334348 [THz] = 144.578294 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3500 0.0000 0.0000
**************************************************************************
freq ( 1) = 2.955922 [THz] = 98.598935 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 -0.000043 0.000000 )
freq ( 2) = 2.955922 [THz] = 98.598935 [cm-1]
( 0.000000 0.000000 0.000043 0.000000 1.000000 0.000000 )
freq ( 3) = 4.650113 [THz] = 155.111063 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3750 0.0000 0.0000
**************************************************************************
freq ( 1) = 3.169420 [THz] = 105.720476 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000037 -0.000000 )
freq ( 2) = 3.169420 [THz] = 105.720476 [cm-1]
( 0.000000 0.000000 -0.000037 0.000000 1.000000 0.000000 )
freq ( 3) = 4.963112 [THz] = 165.551612 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4000 0.0000 0.0000
**************************************************************************
freq ( 1) = 3.381458 [THz] = 112.793305 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 3.381458 [THz] = 112.793305 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 5.273170 [THz] = 175.894015 [cm-1]
( -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4250 0.0000 0.0000
**************************************************************************
freq ( 1) = 3.591204 [THz] = 119.789677 [cm-1]
( 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 )
freq ( 2) = 3.591204 [THz] = 119.789677 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 5.579995 [THz] = 186.128582 [cm-1]
( 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4500 0.0000 0.0000
**************************************************************************
freq ( 1) = 3.797716 [THz] = 126.678162 [cm-1]
( 0.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 3.797716 [THz] = 126.678162 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 5.883169 [THz] = 196.241404 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4750 0.0000 0.0000
**************************************************************************
freq ( 1) = 3.999964 [THz] = 133.424421 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 3.999964 [THz] = 133.424421 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 6.182144 [THz] = 206.214142 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 0.0000 0.0000
**************************************************************************
freq ( 1) = 4.196860 [THz] = 139.992174 [cm-1]
( 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 )
freq ( 2) = 4.196860 [THz] = 139.992174 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 6.476239 [THz] = 216.024065 [cm-1]
( 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5250 0.0000 0.0000
**************************************************************************
freq ( 1) = 4.387293 [THz] = 146.344330 [cm-1]
( 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 )
freq ( 2) = 4.387293 [THz] = 146.344330 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 6.764647 [THz] = 225.644328 [cm-1]
( 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5500 0.0000 0.0000
**************************************************************************
freq ( 1) = 4.570162 [THz] = 152.444206 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000028 -0.000000 )
freq ( 2) = 4.570162 [THz] = 152.444206 [cm-1]
( 0.000000 0.000000 -0.000028 0.000000 1.000000 0.000000 )
freq ( 3) = 7.046456 [THz] = 235.044461 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5750 0.0000 0.0000
**************************************************************************
freq ( 1) = 4.744419 [THz] = 158.256780 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 4.744419 [THz] = 158.256780 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 7.320663 [THz] = 244.191040 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6000 0.0000 0.0000
**************************************************************************
freq ( 1) = 4.909099 [THz] = 163.749917 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000024 -0.000000 )
freq ( 2) = 4.909099 [THz] = 163.749917 [cm-1]
( 0.000000 0.000000 -0.000024 0.000000 1.000000 0.000000 )
freq ( 3) = 7.586203 [THz] = 253.048478 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6250 0.0000 0.0000
**************************************************************************
freq ( 1) = 5.063360 [THz] = 168.895508 [cm-1]
( 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 )
freq ( 2) = 5.063360 [THz] = 168.895508 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 7.841968 [THz] = 261.579898 [cm-1]
( 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6500 0.0000 0.0000
**************************************************************************
freq ( 1) = 5.206509 [THz] = 173.670461 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 5.206509 [THz] = 173.670461 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.086842 [THz] = 269.748026 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6750 0.0000 0.0000
**************************************************************************
freq ( 1) = 5.338029 [THz] = 178.057482 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 5.338029 [THz] = 178.057482 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.319722 [THz] = 277.516054 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7000 0.0000 0.0000
**************************************************************************
freq ( 1) = 5.457591 [THz] = 182.045626 [cm-1]
( 0.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 5.457591 [THz] = 182.045626 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.539541 [THz] = 284.848437 [cm-1]
( -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7250 0.0000 0.0000
**************************************************************************
freq ( 1) = 5.565064 [THz] = 185.630538 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 5.565064 [THz] = 185.630538 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.745293 [THz] = 291.711576 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7500 0.0000 0.0000
**************************************************************************
freq ( 1) = 5.660513 [THz] = 188.814406 [cm-1]
( -0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 )
freq ( 2) = 5.660513 [THz] = 188.814406 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.936045 [THz] = 298.074376 [cm-1]
( 1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7750 0.0000 0.0000
**************************************************************************
freq ( 1) = 5.744190 [THz] = 191.605570 [cm-1]
( -0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 )
freq ( 2) = 5.744190 [THz] = 191.605570 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.110952 [THz] = 303.908653 [cm-1]
( 1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.8000 0.0000 0.0000
**************************************************************************
freq ( 1) = 5.816508 [THz] = 194.017818 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 5.816508 [THz] = 194.017818 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.269265 [THz] = 309.189396 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.8250 0.0000 0.0000
**************************************************************************
freq ( 1) = 5.878012 [THz] = 196.069381 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 5.878012 [THz] = 196.069381 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.410332 [THz] = 313.894878 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.8500 0.0000 0.0000
**************************************************************************
freq ( 1) = 5.929345 [THz] = 197.781665 [cm-1]
( 0.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 5.929345 [THz] = 197.781665 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.533599 [THz] = 318.006648 [cm-1]
( -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.8750 0.0000 0.0000
**************************************************************************
freq ( 1) = 5.971200 [THz] = 199.177783 [cm-1]
( 0.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 5.971200 [THz] = 199.177783 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.638610 [THz] = 321.509408 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.9000 0.0000 0.0000
**************************************************************************
freq ( 1) = 6.004273 [THz] = 200.280976 [cm-1]
( 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 )
freq ( 2) = 6.004273 [THz] = 200.280976 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.724992 [THz] = 324.390821 [cm-1]
( 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.9250 0.0000 0.0000
**************************************************************************
freq ( 1) = 6.029216 [THz] = 201.113007 [cm-1]
( -0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 )
freq ( 2) = 6.029216 [THz] = 201.113007 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.792459 [THz] = 326.641270 [cm-1]
( 1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.9500 0.0000 0.0000
**************************************************************************
freq ( 1) = 6.046593 [THz] = 201.692645 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.046593 [THz] = 201.692645 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.840796 [THz] = 328.253606 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.9750 0.0000 0.0000
**************************************************************************
freq ( 1) = 6.056837 [THz] = 202.034342 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.056837 [THz] = 202.034342 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.869855 [THz] = 329.222916 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.0000 0.0000
**************************************************************************
freq ( 1) = 6.060221 [THz] = 202.147204 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.060221 [THz] = 202.147204 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.879551 [THz] = 329.546333 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.0250 0.0000
**************************************************************************
freq ( 1) = 6.063183 [THz] = 202.246027 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.065259 [THz] = 202.315269 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.871215 [THz] = 329.268281 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.0500 0.0000
**************************************************************************
freq ( 1) = 6.071955 [THz] = 202.538614 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.080276 [THz] = 202.816173 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.846297 [THz] = 328.437115 [cm-1]
( -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.0750 0.0000
**************************************************************************
freq ( 1) = 6.086194 [THz] = 203.013581 [cm-1]
( 0.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.104984 [THz] = 203.640361 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.805066 [THz] = 327.061798 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.1000 0.0000
**************************************************************************
freq ( 1) = 6.105357 [THz] = 203.652782 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.138939 [THz] = 204.772951 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.747969 [THz] = 325.157245 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.1250 0.0000
**************************************************************************
freq ( 1) = 6.128731 [THz] = 204.432462 [cm-1]
( 0.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.181575 [THz] = 206.195164 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.675630 [THz] = 322.744269 [cm-1]
( -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.1500 0.0000
**************************************************************************
freq ( 1) = 6.155480 [THz] = 205.324705 [cm-1]
( 0.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.232268 [THz] = 207.886075 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.588846 [THz] = 319.849486 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.1750 0.0000
**************************************************************************
freq ( 1) = 6.184689 [THz] = 206.299029 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.290380 [THz] = 209.824497 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.488586 [THz] = 316.505145 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.2000 0.0000
**************************************************************************
freq ( 1) = 6.215417 [THz] = 207.323994 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.355324 [THz] = 211.990779 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.375975 [THz] = 312.748875 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.2250 0.0000
**************************************************************************
freq ( 1) = 6.246736 [THz] = 208.368699 [cm-1]
( 0.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.426601 [THz] = 214.368345 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.252294 [THz] = 308.623296 [cm-1]
( -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.2500 0.0000
**************************************************************************
freq ( 1) = 6.277776 [THz] = 209.404054 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.503842 [THz] = 216.944823 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 9.118952 [THz] = 304.175489 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.2750 0.0000
**************************************************************************
freq ( 1) = 6.307746 [THz] = 210.403771 [cm-1]
( 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 )
freq ( 2) = 6.586820 [THz] = 219.712666 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.977474 [THz] = 299.456305 [cm-1]
( 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.3000 0.0000
**************************************************************************
freq ( 1) = 6.335964 [THz] = 211.345020 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.675455 [THz] = 222.669212 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.829472 [THz] = 294.519476 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.3250 0.0000
**************************************************************************
freq ( 1) = 6.361859 [THz] = 212.208771 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.769799 [THz] = 225.816187 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.676610 [THz] = 289.420566 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.3500 0.0000
**************************************************************************
freq ( 1) = 6.384974 [THz] = 212.979815 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.870005 [THz] = 229.158700 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.520573 [THz] = 284.215739 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.3750 0.0000
**************************************************************************
freq ( 1) = 6.404962 [THz] = 213.646541 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.976285 [THz] = 232.703832 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.363023 [THz] = 278.960403 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.4000 0.0000
**************************************************************************
freq ( 1) = 6.421570 [THz] = 214.200514 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.088860 [THz] = 236.458930 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.205553 [THz] = 273.707777 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.4250 0.0000
**************************************************************************
freq ( 1) = 6.434624 [THz] = 214.635938 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.207903 [THz] = 240.429769 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.049651 [THz] = 268.507443 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.4500 0.0000
**************************************************************************
freq ( 1) = 6.444011 [THz] = 214.949077 [cm-1]
( 0.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.333485 [THz] = 244.618744 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 7.896653 [THz] = 263.403987 [cm-1]
( -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.4750 0.0000
**************************************************************************
freq ( 1) = 6.449666 [THz] = 215.137712 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.465529 [THz] = 249.023237 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 7.747711 [THz] = 258.435826 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.5000 0.0000
**************************************************************************
freq ( 1) = 6.451555 [THz] = 215.200707 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.603765 [THz] = 253.634315 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 7.603765 [THz] = 253.634315 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.5250 0.0000
**************************************************************************
freq ( 1) = 6.449666 [THz] = 215.137712 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.465529 [THz] = 249.023237 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 7.747711 [THz] = 258.435826 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.5500 0.0000
**************************************************************************
freq ( 1) = 6.444011 [THz] = 214.949077 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.333485 [THz] = 244.618744 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 7.896653 [THz] = 263.403987 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.5750 0.0000
**************************************************************************
freq ( 1) = 6.434624 [THz] = 214.635938 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.207903 [THz] = 240.429769 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 8.049651 [THz] = 268.507443 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.6000 0.0000
**************************************************************************
freq ( 1) = 6.421570 [THz] = 214.200514 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.088860 [THz] = 236.458930 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 8.205553 [THz] = 273.707777 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.6250 0.0000
**************************************************************************
freq ( 1) = 6.404962 [THz] = 213.646541 [cm-1]
( 0.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.976285 [THz] = 232.703832 [cm-1]
( -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 8.363023 [THz] = 278.960403 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.6500 0.0000
**************************************************************************
freq ( 1) = 6.384974 [THz] = 212.979815 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.870005 [THz] = 229.158700 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 8.520573 [THz] = 284.215739 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.6750 0.0000
**************************************************************************
freq ( 1) = 6.361859 [THz] = 212.208771 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.769799 [THz] = 225.816187 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 8.676610 [THz] = 289.420566 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.7000 0.0000
**************************************************************************
freq ( 1) = 6.335964 [THz] = 211.345020 [cm-1]
( -0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 )
freq ( 2) = 6.675455 [THz] = 222.669212 [cm-1]
( 1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 8.829472 [THz] = 294.519476 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.7250 0.0000
**************************************************************************
freq ( 1) = 6.307746 [THz] = 210.403771 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.586820 [THz] = 219.712666 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 8.977474 [THz] = 299.456305 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.7500 0.0000
**************************************************************************
freq ( 1) = 6.277776 [THz] = 209.404054 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.503842 [THz] = 216.944823 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 9.118952 [THz] = 304.175489 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.7750 0.0000
**************************************************************************
freq ( 1) = 6.246736 [THz] = 208.368699 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.426601 [THz] = 214.368345 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 9.252294 [THz] = 308.623296 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.8000 0.0000
**************************************************************************
freq ( 1) = 6.215417 [THz] = 207.323994 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.355324 [THz] = 211.990779 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 9.375975 [THz] = 312.748875 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.8250 0.0000
**************************************************************************
freq ( 1) = 6.184689 [THz] = 206.299029 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.290380 [THz] = 209.824497 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 9.488586 [THz] = 316.505145 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.8500 0.0000
**************************************************************************
freq ( 1) = 6.155480 [THz] = 205.324705 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.232268 [THz] = 207.886075 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 9.588846 [THz] = 319.849486 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.8750 0.0000
**************************************************************************
freq ( 1) = 6.128731 [THz] = 204.432462 [cm-1]
( 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 )
freq ( 2) = 6.181575 [THz] = 206.195164 [cm-1]
( 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 9.675630 [THz] = 322.744269 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.9000 0.0000
**************************************************************************
freq ( 1) = 6.105357 [THz] = 203.652782 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.138939 [THz] = 204.772951 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 9.747969 [THz] = 325.157245 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.9250 0.0000
**************************************************************************
freq ( 1) = 6.086194 [THz] = 203.013581 [cm-1]
( -0.000000 0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.104984 [THz] = 203.640361 [cm-1]
( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 9.805066 [THz] = 327.061798 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.9500 0.0000
**************************************************************************
freq ( 1) = 6.071955 [THz] = 202.538614 [cm-1]
( 0.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.080276 [THz] = 202.816173 [cm-1]
( -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 9.846297 [THz] = 328.437115 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.9750 0.0000
**************************************************************************
freq ( 1) = 6.063183 [THz] = 202.246027 [cm-1]
( 0.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.065259 [THz] = 202.315269 [cm-1]
( -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 9.871215 [THz] = 329.268281 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 1.0000 0.0000
**************************************************************************
freq ( 1) = 6.060221 [THz] = 202.147204 [cm-1]
( -0.997420 0.000000 0.071791 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.060221 [THz] = 202.147204 [cm-1]
( -0.071791 0.000000 -0.997420 0.000000 0.000000 0.000000 )
freq ( 3) = 9.879551 [THz] = 329.546333 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.9750 0.9750 0.0000
**************************************************************************
freq ( 1) = 6.051403 [THz] = 201.853077 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.085012 [THz] = 202.974147 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 3) = 9.862907 [THz] = 328.991178 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.9500 0.9500 0.0000
**************************************************************************
freq ( 1) = 6.025402 [THz] = 200.985784 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 6.158169 [THz] = 205.414392 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 3) = 9.813495 [THz] = 327.342960 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.9250 0.9250 0.0000
**************************************************************************
freq ( 1) = 5.983548 [THz] = 199.589661 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.276179 [THz] = 209.350798 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 3) = 9.732839 [THz] = 324.652557 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.9000 0.9000 0.0000
**************************************************************************
freq ( 1) = 5.927962 [THz] = 197.735539 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 6.433611 [THz] = 214.602159 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 3) = 9.623394 [THz] = 321.001869 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.8750 0.8750 0.0000
**************************************************************************
freq ( 1) = 5.861426 [THz] = 195.516141 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 6.623620 [THz] = 220.940177 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 3) = 9.488417 [THz] = 316.499519 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.8500 0.8500 0.0000
**************************************************************************
freq ( 1) = 5.787184 [THz] = 193.039683 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.838479 [THz] = 228.107120 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 3) = 9.331788 [THz] = 311.274941 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.8250 0.8250 0.0000
**************************************************************************
freq ( 1) = 5.708703 [THz] = 190.421844 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.070045 [THz] = 235.831315 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 3) = 9.157790 [THz] = 305.471000 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.8000 0.8000 0.0000
**************************************************************************
freq ( 1) = 5.629396 [THz] = 187.776451 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 7.310114 [THz] = 243.839158 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 3) = 8.970853 [THz] = 299.235432 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7750 0.7750 0.0000
**************************************************************************
freq ( 1) = 5.552322 [THz] = 185.205522 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.550681 [THz] = 251.863612 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 3) = 8.775270 [THz] = 292.711506 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7500 0.7500 0.0000
**************************************************************************
freq ( 1) = 5.479894 [THz] = 182.789573 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.784107 [THz] = 259.649863 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 3) = 8.574919 [THz] = 286.028521 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7250 0.7250 0.0000
**************************************************************************
freq ( 1) = 5.413632 [THz] = 180.579334 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 8.003231 [THz] = 266.959042 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 3) = 8.372990 [THz] = 279.292889 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7000 0.7000 0.0000
**************************************************************************
freq ( 1) = 5.353995 [THz] = 178.590035 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 8.171764 [THz] = 272.580692 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.201446 [THz] = 273.570778 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6750 0.6750 0.0000
**************************************************************************
freq ( 1) = 5.300306 [THz] = 176.799183 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 7.972458 [THz] = 265.932580 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.372758 [THz] = 279.285152 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6500 0.6500 0.0000
**************************************************************************
freq ( 1) = 5.250812 [THz] = 175.148230 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 7.775169 [THz] = 259.351716 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.511839 [THz] = 283.924378 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6250 0.6250 0.0000
**************************************************************************
freq ( 1) = 5.202835 [THz] = 173.547898 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 7.578907 [THz] = 252.805130 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.614068 [THz] = 287.334367 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6000 0.6000 0.0000
**************************************************************************
freq ( 1) = 5.153022 [THz] = 171.886308 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 7.381743 [THz] = 246.228429 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.675580 [THz] = 289.386191 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5750 0.5750 0.0000
**************************************************************************
freq ( 1) = 5.097632 [THz] = 170.038715 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 7.181028 [THz] = 239.533302 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.693303 [THz] = 289.977391 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5500 0.5500 0.0000
**************************************************************************
freq ( 1) = 5.032843 [THz] = 167.877583 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 6.973681 [THz] = 232.616952 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.664993 [THz] = 289.033057 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5250 0.5250 0.0000
**************************************************************************
freq ( 1) = 4.955027 [THz] = 165.281918 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.756493 [THz] = 225.372359 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.589250 [THz] = 286.506546 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 0.5000 0.0000
**************************************************************************
freq ( 1) = 4.860989 [THz] = 162.145137 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 6.526431 [THz] = 217.698310 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.465532 [THz] = 282.379764 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4750 0.4750 0.0000
**************************************************************************
freq ( 1) = 4.748145 [THz] = 158.381057 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.280901 [THz] = 209.508318 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.294145 [THz] = 276.662904 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4500 0.4500 0.0000
**************************************************************************
freq ( 1) = 4.614643 [THz] = 153.927937 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 6.017967 [THz] = 200.737788 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 8.076216 [THz] = 269.393582 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4250 0.4250 0.0000
**************************************************************************
freq ( 1) = 4.459432 [THz] = 148.750630 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 5.736502 [THz] = 191.349099 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 7.813650 [THz] = 260.635319 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4000 0.4000 0.0000
**************************************************************************
freq ( 1) = 4.282267 [THz] = 142.841055 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 5.436271 [THz] = 181.334483 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 7.509062 [THz] = 250.475346 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3750 0.3750 0.0000
**************************************************************************
freq ( 1) = 4.083689 [THz] = 136.217206 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 5.117960 [THz] = 170.716774 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 7.165692 [THz] = 239.021751 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3500 0.3500 0.0000
**************************************************************************
freq ( 1) = 3.864953 [THz] = 128.920945 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 4.783135 [THz] = 159.548207 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 6.787300 [THz] = 226.399973 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3250 0.3250 0.0000
**************************************************************************
freq ( 1) = 3.627932 [THz] = 121.014769 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 4.434155 [THz] = 147.907474 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 6.378047 [THz] = 212.748732 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3000 0.3000 0.0000
**************************************************************************
freq ( 1) = 3.374997 [THz] = 112.577771 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 -0.000000 0.000000 )
freq ( 2) = 4.074039 [THz] = 135.895316 [cm-1]
( -0.000000 0.000000 -0.000000 0.000000 -1.000000 0.000000 )
freq ( 3) = 5.942350 [THz] = 198.215466 [cm-1]
( 0.707107 -0.000000 0.707107 -0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2750 0.2750 0.0000
**************************************************************************
freq ( 1) = 3.108877 [THz] = 103.700965 [cm-1]
( -0.707107 0.000000 0.707107 -0.000000 0.000000 0.000000 )
freq ( 2) = 3.706300 [THz] = 123.628848 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 5.484745 [THz] = 182.951409 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 0.2500 0.0000
**************************************************************************
freq ( 1) = 2.832504 [THz] = 94.482170 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 -0.000000 0.000000 )
freq ( 2) = 3.334738 [THz] = 111.234883 [cm-1]
( -0.000000 0.000000 -0.000000 0.000000 -1.000000 0.000000 )
freq ( 3) = 5.009725 [THz] = 167.106453 [cm-1]
( 0.707107 -0.000000 0.707107 -0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2250 0.2250 0.0000
**************************************************************************
freq ( 1) = 2.548854 [THz] = 85.020633 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 2.963222 [THz] = 98.842462 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 4.521590 [THz] = 150.824007 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2000 0.2000 0.0000
**************************************************************************
freq ( 1) = 2.260784 [THz] = 75.411627 [cm-1]
( -0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 2.595449 [THz] = 86.574858 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 4.024296 [THz] = 134.236065 [cm-1]
( -0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1750 0.1750 0.0000
**************************************************************************
freq ( 1) = 1.970874 [THz] = 65.741268 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 2.234693 [THz] = 74.541347 [cm-1]
( 0.000000 0.000000 -0.000000 0.000000 -1.000000 0.000000 )
freq ( 3) = 3.521325 [THz] = 117.458747 [cm-1]
( 0.707107 -0.000000 0.707107 -0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1500 0.1500 0.0000
**************************************************************************
freq ( 1) = 1.681292 [THz] = 56.081850 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 -0.000000 0.000000 )
freq ( 2) = 1.883571 [THz] = 62.829173 [cm-1]
( -0.000000 0.000000 0.000000 0.000000 -1.000000 0.000000 )
freq ( 3) = 3.015571 [THz] = 100.588615 [cm-1]
( 0.707107 -0.000000 0.707107 -0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1250 0.1250 0.0000
**************************************************************************
freq ( 1) = 1.393677 [THz] = 46.488045 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 1.543819 [THz] = 51.496255 [cm-1]
( 0.000000 0.000000 -0.000000 0.000000 -1.000000 0.000000 )
freq ( 3) = 2.509264 [THz] = 83.700042 [cm-1]
( 0.707107 -0.000000 0.707107 -0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1000 0.1000 0.0000
**************************************************************************
freq ( 1) = 1.109062 [THz] = 36.994336 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 -0.000000 0.000000 )
freq ( 2) = 1.216120 [THz] = 40.565404 [cm-1]
( -0.000000 0.000000 0.000000 0.000000 -1.000000 0.000000 )
freq ( 3) = 2.003930 [THz] = 66.843915 [cm-1]
( 0.707107 -0.000000 0.707107 -0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0750 0.0750 0.0000
**************************************************************************
freq ( 1) = 0.827847 [THz] = 27.614018 [cm-1]
( 0.707107 -0.000000 -0.707107 0.000000 0.000000 -0.000000 )
freq ( 2) = 0.900005 [THz] = 30.020936 [cm-1]
( -0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 )
freq ( 3) = 1.500398 [THz] = 50.047888 [cm-1]
( 0.707107 0.000000 0.707107 0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0500 0.0500 0.0000
**************************************************************************
freq ( 1) = 0.549821 [THz] = 18.340052 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 0.593848 [THz] = 19.808653 [cm-1]
( -0.000000 0.000000 -0.000000 0.000000 -1.000000 0.000000 )
freq ( 3) = 0.998857 [THz] = 33.318299 [cm-1]
( 0.707107 -0.000000 0.707107 -0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0250 0.0250 0.0000
**************************************************************************
freq ( 1) = 0.274246 [THz] = 9.147869 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 0.294993 [THz] = 9.839916 [cm-1]
( -0.000000 0.000000 -0.000000 0.000000 -1.000000 0.000000 )
freq ( 3) = 0.498966 [THz] = 16.643728 [cm-1]
( 0.707107 -0.000000 0.707107 -0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.0000 0.0000
**************************************************************************
freq ( 1) = 0.000000 [THz] = 0.000000 [cm-1]
( 0.516348 0.000000 -0.856375 0.000000 -0.002682 0.000000 )
freq ( 2) = 0.000000 [THz] = 0.000002 [cm-1]
( 0.852840 0.000000 0.513927 0.000000 0.092427 0.000000 )
freq ( 3) = 0.000000 [THz] = 0.000004 [cm-1]
( -0.077774 0.000000 -0.050012 0.000000 0.995716 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0125 0.0125 0.0125
**************************************************************************
freq ( 1) = 0.172150 [THz] = 5.742313 [cm-1]
( 0.704471 0.000000 -0.709713 0.000000 0.005242 0.000000 )
freq ( 2) = 0.172150 [THz] = 5.742313 [cm-1]
( 0.412779 0.000000 0.403700 0.000000 -0.816480 0.000000 )
freq ( 3) = 0.307915 [THz] = 10.270927 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0250 0.0250 0.0250
**************************************************************************
freq ( 1) = 0.344903 [THz] = 11.504736 [cm-1]
( 0.706738 0.000000 -0.707474 0.000000 0.000736 0.000000 )
freq ( 2) = 0.344903 [THz] = 11.504736 [cm-1]
( 0.408886 0.000000 0.407611 0.000000 -0.816496 0.000000 )
freq ( 3) = 0.616459 [THz] = 20.562858 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0375 0.0375 0.0375
**************************************************************************
freq ( 1) = 0.518816 [THz] = 17.305838 [cm-1]
( 0.707117 0.000000 -0.707096 0.000000 -0.000021 0.000000 )
freq ( 2) = 0.518816 [THz] = 17.305838 [cm-1]
( 0.408230 0.000000 0.408266 0.000000 -0.816497 0.000000 )
freq ( 3) = 0.926225 [THz] = 30.895554 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0500 0.0500 0.0500
**************************************************************************
freq ( 1) = 0.694356 [THz] = 23.161216 [cm-1]
( 0.706920 0.000000 -0.707294 0.000000 0.000374 0.000000 )
freq ( 2) = 0.694356 [THz] = 23.161216 [cm-1]
( 0.408572 0.000000 0.407924 0.000000 -0.816496 0.000000 )
freq ( 3) = 1.237733 [THz] = 41.286345 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0625 0.0625 0.0625
**************************************************************************
freq ( 1) = 0.871864 [THz] = 29.082252 [cm-1]
( 0.707001 0.000000 -0.707212 0.000000 0.000211 0.000000 )
freq ( 2) = 0.871864 [THz] = 29.082252 [cm-1]
( 0.408431 0.000000 0.408065 0.000000 -0.816497 0.000000 )
freq ( 3) = 1.551398 [THz] = 51.749069 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0750 0.0750 0.0750
**************************************************************************
freq ( 1) = 1.051526 [THz] = 35.075131 [cm-1]
( 0.707144 0.000000 -0.707070 0.000000 -0.000074 0.000000 )
freq ( 2) = 1.051526 [THz] = 35.075131 [cm-1]
( 0.408184 0.000000 0.408312 0.000000 -0.816497 0.000000 )
freq ( 3) = 1.867503 [THz] = 62.293181 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0875 0.0875 0.0875
**************************************************************************
freq ( 1) = 1.233351 [THz] = 41.140176 [cm-1]
( 0.707099 0.000000 -0.707115 0.000000 0.000016 0.000000 )
freq ( 2) = 1.233351 [THz] = 41.140176 [cm-1]
( 0.408262 0.000000 0.408235 0.000000 -0.816497 0.000000 )
freq ( 3) = 2.186178 [THz] = 72.923056 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1000 0.1000 0.1000
**************************************************************************
freq ( 1) = 1.417164 [THz] = 47.271493 [cm-1]
( 0.707041 0.000000 -0.707173 0.000000 0.000132 0.000000 )
freq ( 2) = 1.417164 [THz] = 47.271493 [cm-1]
( 0.408363 0.000000 0.408134 0.000000 -0.816497 0.000000 )
freq ( 3) = 2.507390 [THz] = 83.637529 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1125 0.1125 0.1125
**************************************************************************
freq ( 1) = 1.602599 [THz] = 53.456938 [cm-1]
( 0.707097 0.000000 -0.707116 0.000000 0.000019 0.000000 )
freq ( 2) = 1.602599 [THz] = 53.456938 [cm-1]
( 0.408265 0.000000 0.408232 0.000000 -0.816497 0.000000 )
freq ( 3) = 2.830930 [THz] = 94.429657 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1250 0.1250 0.1250
**************************************************************************
freq ( 1) = 1.789112 [THz] = 59.678361 [cm-1]
( 0.707068 0.000000 -0.707146 0.000000 0.000078 0.000000 )
freq ( 2) = 1.789112 [THz] = 59.678361 [cm-1]
( 0.408316 0.000000 0.408180 0.000000 -0.816497 0.000000 )
freq ( 3) = 3.156416 [THz] = 105.286711 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1375 0.1375 0.1375
**************************************************************************
freq ( 1) = 1.975995 [THz] = 65.912108 [cm-1]
( 0.707081 0.000000 -0.707133 0.000000 0.000052 0.000000 )
freq ( 2) = 1.975995 [THz] = 65.912108 [cm-1]
( 0.408294 0.000000 0.408203 0.000000 -0.816497 0.000000 )
freq ( 3) = 3.483300 [THz] = 116.190374 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1500 0.1500 0.1500
**************************************************************************
freq ( 1) = 2.162394 [THz] = 72.129712 [cm-1]
( 0.707079 0.000000 -0.707135 0.000000 0.000056 0.000000 )
freq ( 2) = 2.162394 [THz] = 72.129712 [cm-1]
( 0.408297 0.000000 0.408200 0.000000 -0.816497 0.000000 )
freq ( 3) = 3.810876 [THz] = 127.117126 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1625 0.1625 0.1625
**************************************************************************
freq ( 1) = 2.347337 [THz] = 78.298743 [cm-1]
( 0.707088 0.000000 -0.707126 0.000000 0.000039 0.000000 )
freq ( 2) = 2.347337 [THz] = 78.298743 [cm-1]
( 0.408282 0.000000 0.408215 0.000000 -0.816497 0.000000 )
freq ( 3) = 4.138299 [THz] = 138.038781 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1750 0.1750 0.1750
**************************************************************************
freq ( 1) = 2.529762 [THz] = 84.383770 [cm-1]
( 0.707090 0.000000 -0.707124 0.000000 0.000034 0.000000 )
freq ( 2) = 2.529762 [THz] = 84.383770 [cm-1]
( 0.408277 0.000000 0.408219 0.000000 -0.816497 0.000000 )
freq ( 3) = 4.464604 [THz] = 148.923144 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.1875 0.1875 0.1875
**************************************************************************
freq ( 1) = 2.708547 [THz] = 90.347388 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 2.708547 [THz] = 90.347388 [cm-1]
( 0.408248 0.000000 0.408248 0.000000 -0.816497 0.000000 )
freq ( 3) = 4.788728 [THz] = 159.734761 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2000 0.2000 0.2000
**************************************************************************
freq ( 1) = 2.882543 [THz] = 96.151285 [cm-1]
( 0.707087 0.000000 -0.707127 0.000000 0.000040 0.000000 )
freq ( 2) = 2.882543 [THz] = 96.151285 [cm-1]
( 0.408283 0.000000 0.408214 0.000000 -0.816497 0.000000 )
freq ( 3) = 5.109534 [THz] = 170.435724 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2125 0.2125 0.2125
**************************************************************************
freq ( 1) = 3.050607 [THz] = 101.757310 [cm-1]
( 0.707059 0.000000 -0.707155 0.000000 0.000096 0.000000 )
freq ( 2) = 3.050607 [THz] = 101.757310 [cm-1]
( 0.408331 0.000000 0.408165 0.000000 -0.816497 0.000000 )
freq ( 3) = 5.425839 [THz] = 180.986499 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2250 0.2250 0.2250
**************************************************************************
freq ( 1) = 3.211632 [THz] = 107.128524 [cm-1]
( 0.707080 0.000000 -0.707134 0.000000 0.000055 0.000000 )
freq ( 2) = 3.211632 [THz] = 107.128524 [cm-1]
( 0.408296 0.000000 0.408201 0.000000 -0.816497 0.000000 )
freq ( 3) = 5.736432 [THz] = 191.346760 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2375 0.2375 0.2375
**************************************************************************
freq ( 1) = 3.364577 [THz] = 112.230207 [cm-1]
( 0.707132 0.000000 -0.707082 0.000000 -0.000050 0.000000 )
freq ( 2) = 3.364577 [THz] = 112.230207 [cm-1]
( 0.408205 0.000000 0.408292 0.000000 -0.816497 0.000000 )
freq ( 3) = 6.040104 [THz] = 201.476189 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 0.2500 0.2500
**************************************************************************
freq ( 1) = 3.508495 [THz] = 117.030801 [cm-1]
( 0.707088 0.000000 -0.707125 0.000000 0.000037 0.000000 )
freq ( 2) = 3.508495 [THz] = 117.030801 [cm-1]
( 0.408280 0.000000 0.408216 0.000000 -0.816497 0.000000 )
freq ( 3) = 6.335671 [THz] = 211.335238 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2625 0.2625 0.2625
**************************************************************************
freq ( 1) = 3.642562 [THz] = 121.502776 [cm-1]
( 0.707056 0.000000 -0.707158 0.000000 0.000102 0.000000 )
freq ( 2) = 3.642562 [THz] = 121.502776 [cm-1]
( 0.408337 0.000000 0.408160 0.000000 -0.816497 0.000000 )
freq ( 3) = 6.621990 [THz] = 220.885819 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2750 0.2750 0.2750
**************************************************************************
freq ( 1) = 3.766095 [THz] = 125.623404 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 3.766095 [THz] = 125.623404 [cm-1]
( 0.408248 0.000000 0.408248 0.000000 -0.816497 0.000000 )
freq ( 3) = 6.897982 [THz] = 230.091918 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2875 0.2875 0.2875
**************************************************************************
freq ( 1) = 3.878577 [THz] = 129.375410 [cm-1]
( 0.707092 0.000000 -0.707122 0.000000 0.000030 0.000000 )
freq ( 2) = 3.878577 [THz] = 129.375410 [cm-1]
( 0.408274 0.000000 0.408222 0.000000 -0.816497 0.000000 )
freq ( 3) = 7.162645 [THz] = 238.920115 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3000 0.3000 0.3000
**************************************************************************
freq ( 1) = 3.979670 [THz] = 132.747514 [cm-1]
( 0.707093 0.000000 -0.707121 0.000000 0.000028 0.000000 )
freq ( 2) = 3.979670 [THz] = 132.747514 [cm-1]
( 0.408273 0.000000 0.408224 0.000000 -0.816497 0.000000 )
freq ( 3) = 7.415067 [THz] = 247.340003 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3125 0.3125 0.3125
**************************************************************************
freq ( 1) = 4.069227 [THz] = 135.734813 [cm-1]
( 0.707133 0.000000 -0.707080 0.000000 -0.000053 0.000000 )
freq ( 2) = 4.069227 [THz] = 135.734813 [cm-1]
( 0.408202 0.000000 0.408294 0.000000 -0.816497 0.000000 )
freq ( 3) = 7.654436 [THz] = 255.324497 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3250 0.3250 0.3250
**************************************************************************
freq ( 1) = 4.147299 [THz] = 138.339020 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 4.147299 [THz] = 138.339020 [cm-1]
( 0.408248 0.000000 0.408248 0.000000 -0.816497 0.000000 )
freq ( 3) = 7.880046 [THz] = 262.850038 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3375 0.3375 0.3375
**************************************************************************
freq ( 1) = 4.214138 [THz] = 140.568514 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 4.214138 [THz] = 140.568514 [cm-1]
( 0.408248 0.000000 0.408248 0.000000 -0.816497 0.000000 )
freq ( 3) = 8.091299 [THz] = 269.896677 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3500 0.3500 0.3500
**************************************************************************
freq ( 1) = 4.270190 [THz] = 142.438214 [cm-1]
( 0.707142 0.000000 -0.707072 0.000000 -0.000070 0.000000 )
freq ( 2) = 4.270190 [THz] = 142.438214 [cm-1]
( 0.408188 0.000000 0.408309 0.000000 -0.816497 0.000000 )
freq ( 3) = 8.287704 [THz] = 276.448055 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3625 0.3625 0.3625
**************************************************************************
freq ( 1) = 4.316089 [THz] = 143.969230 [cm-1]
( 0.707118 0.000000 -0.707096 0.000000 -0.000022 0.000000 )
freq ( 2) = 4.316089 [THz] = 143.969230 [cm-1]
( 0.408229 0.000000 0.408268 0.000000 -0.816497 0.000000 )
freq ( 3) = 8.468876 [THz] = 282.491283 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3750 0.3750 0.3750
**************************************************************************
freq ( 1) = 4.352636 [THz] = 145.188312 [cm-1]
( 0.707118 0.000000 -0.707096 0.000000 -0.000022 0.000000 )
freq ( 2) = 4.352636 [THz] = 145.188312 [cm-1]
( 0.408230 0.000000 0.408267 0.000000 -0.816497 0.000000 )
freq ( 3) = 8.634524 [THz] = 288.016719 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3875 0.3875 0.3875
**************************************************************************
freq ( 1) = 4.380779 [THz] = 146.127054 [cm-1]
( 0.707086 0.000000 -0.707128 0.000000 0.000042 0.000000 )
freq ( 2) = 4.380779 [THz] = 146.127054 [cm-1]
( 0.408285 0.000000 0.408212 0.000000 -0.816497 0.000000 )
freq ( 3) = 8.784449 [THz] = 293.017671 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4000 0.4000 0.4000
**************************************************************************
freq ( 1) = 4.401579 [THz] = 146.820882 [cm-1]
( 0.707097 0.000000 -0.707117 0.000000 0.000020 0.000000 )
freq ( 2) = 4.401579 [THz] = 146.820882 [cm-1]
( 0.408266 0.000000 0.408231 0.000000 -0.816497 0.000000 )
freq ( 3) = 8.918527 [THz] = 297.490027 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4125 0.4125 0.4125
**************************************************************************
freq ( 1) = 4.416177 [THz] = 147.307810 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 4.416177 [THz] = 147.307810 [cm-1]
( 0.408248 0.000000 0.408248 0.000000 -0.816497 0.000000 )
freq ( 3) = 9.036699 [THz] = 301.431834 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4250 0.4250 0.4250
**************************************************************************
freq ( 1) = 4.425747 [THz] = 147.627015 [cm-1]
( 0.707078 0.000000 -0.707136 0.000000 0.000058 0.000000 )
freq ( 2) = 4.425747 [THz] = 147.627015 [cm-1]
( 0.408299 0.000000 0.408198 0.000000 -0.816497 0.000000 )
freq ( 3) = 9.138958 [THz] = 304.842841 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4375 0.4375 0.4375
**************************************************************************
freq ( 1) = 4.431450 [THz] = 147.817245 [cm-1]
( 0.707097 0.000000 -0.707116 0.000000 0.000019 0.000000 )
freq ( 2) = 4.431450 [THz] = 147.817245 [cm-1]
( 0.408265 0.000000 0.408232 0.000000 -0.816497 0.000000 )
freq ( 3) = 9.225335 [THz] = 307.724040 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4500 0.4500 0.4500
**************************************************************************
freq ( 1) = 4.434385 [THz] = 147.915150 [cm-1]
( 0.707078 0.000000 -0.707135 0.000000 0.000057 0.000000 )
freq ( 2) = 4.434385 [THz] = 147.915150 [cm-1]
( 0.408297 0.000000 0.408199 0.000000 -0.816497 0.000000 )
freq ( 3) = 9.295881 [THz] = 310.077198 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4625 0.4625 0.4625
**************************************************************************
freq ( 1) = 4.435537 [THz] = 147.953596 [cm-1]
( 0.707079 0.000000 -0.707135 0.000000 0.000056 0.000000 )
freq ( 2) = 4.435537 [THz] = 147.953596 [cm-1]
( 0.408297 0.000000 0.408200 0.000000 -0.816497 0.000000 )
freq ( 3) = 9.350660 [THz] = 311.904431 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4750 0.4750 0.4750
**************************************************************************
freq ( 1) = 4.435732 [THz] = 147.960083 [cm-1]
( 0.707098 0.000000 -0.707116 0.000000 0.000019 0.000000 )
freq ( 2) = 4.435732 [THz] = 147.960083 [cm-1]
( 0.408264 0.000000 0.408232 0.000000 -0.816497 0.000000 )
freq ( 3) = 9.389734 [THz] = 313.207821 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.4875 0.4875 0.4875
**************************************************************************
freq ( 1) = 4.435590 [THz] = 147.955355 [cm-1]
( 0.707079 0.000000 -0.707134 0.000000 0.000055 0.000000 )
freq ( 2) = 4.435590 [THz] = 147.955355 [cm-1]
( 0.408296 0.000000 0.408200 0.000000 -0.816497 0.000000 )
freq ( 3) = 9.413156 [THz] = 313.989095 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 0.5000 0.5000
**************************************************************************
freq ( 1) = 4.435499 [THz] = 147.952319 [cm-1]
( 0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 4.435499 [THz] = 147.952319 [cm-1]
( 0.408248 0.000000 0.408248 0.000000 -0.816497 0.000000 )
freq ( 3) = 9.420960 [THz] = 314.249389 [cm-1]
( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 )
**************************************************************************
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