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quantum-espresso/PHonon/examples/example19/reference/diam.modes_fine

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diagonalizing the dynamical matrix ...
q = 0.0000 0.0000 0.0000
**************************************************************************
freq ( 1) = 0.000001 [THz] = 0.000023 [cm-1]
( 0.009974 0.000000 -0.005759 0.000000 0.707013 0.000000 )
( 0.009974 0.000000 -0.005759 0.000000 0.707013 0.000000 )
freq ( 2) = 0.000001 [THz] = 0.000027 [cm-1]
( 0.703445 0.000000 0.071260 0.000000 -0.009343 0.000000 )
( 0.703445 0.000000 0.071260 0.000000 -0.009343 0.000000 )
freq ( 3) = 0.000001 [THz] = 0.000031 [cm-1]
( -0.071175 0.000000 0.703483 0.000000 0.006734 0.000000 )
( -0.071175 0.000000 0.703483 0.000000 0.006734 0.000000 )
freq ( 4) = 40.109182 [THz] = 1337.898299 [cm-1]
( -0.500455 0.000000 0.499544 0.000000 0.000000 0.000000 )
( 0.500455 0.000000 -0.499544 0.000000 0.000000 0.000000 )
freq ( 5) = 40.109182 [THz] = 1337.898299 [cm-1]
( -0.287773 0.000000 -0.288298 0.000000 0.577989 0.000000 )
( 0.287773 0.000000 0.288298 0.000000 -0.577989 0.000000 )
freq ( 6) = 40.109182 [THz] = 1337.898299 [cm-1]
( 0.408327 0.000000 0.409072 0.000000 0.407344 0.000000 )
( -0.408327 0.000000 -0.409072 0.000000 -0.407344 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.2500 0.2500 -0.2500
**************************************************************************
freq ( 1) = 12.190474 [THz] = 406.630448 [cm-1]
( 0.283159 0.056162 0.566318 0.112325 0.283159 0.056162 )
( 0.288675 -0.000000 0.577350 -0.000000 0.288675 0.000000 )
freq ( 2) = 12.190474 [THz] = 406.630450 [cm-1]
( -0.490446 -0.097276 -0.000000 0.000000 0.490446 0.097276 )
( -0.500000 0.000000 -0.000000 0.000000 0.500000 0.000000 )
freq ( 3) = 21.517617 [THz] = 717.750447 [cm-1]
( -0.353688 -0.203890 0.353688 0.203890 -0.353688 -0.203890 )
( -0.408248 -0.000000 0.408248 -0.000000 -0.408248 0.000000 )
freq ( 4) = 38.639132 [THz] = 1288.862717 [cm-1]
( 0.490446 0.097276 0.000000 0.000000 -0.490446 -0.097276 )
( -0.500000 -0.000000 -0.000000 -0.000000 0.500000 0.000000 )
freq ( 5) = 38.639132 [THz] = 1288.862718 [cm-1]
( 0.283159 0.056162 0.566318 0.112325 0.283159 0.056162 )
( -0.288675 -0.000000 -0.577350 -0.000000 -0.288675 0.000000 )
freq ( 6) = 40.229138 [THz] = 1341.899601 [cm-1]
( -0.353688 -0.203890 0.353688 0.203890 -0.353688 -0.203890 )
( 0.408248 0.000000 -0.408248 0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.5000 0.5000
**************************************************************************
freq ( 1) = 17.028048 [THz] = 567.994538 [cm-1]
( -0.500000 0.000000 -0.000000 0.000000 0.500000 -0.000000 )
( -0.500000 -0.000000 -0.000000 -0.000000 0.500000 0.000000 )
freq ( 2) = 17.028048 [THz] = 567.994541 [cm-1]
( 0.288675 -0.000000 0.577350 -0.000000 0.288675 -0.000000 )
( 0.288675 0.000000 0.577350 0.000000 0.288675 0.000000 )
freq ( 3) = 31.900796 [THz] = 1064.096013 [cm-1]
( 0.408248 -0.000000 -0.408248 0.000000 0.408248 -0.000000 )
( 0.408248 -0.000000 -0.408248 0.000000 0.408248 0.000000 )
freq ( 4) = 37.001544 [THz] = 1234.238663 [cm-1]
( -0.288675 0.000000 -0.577350 0.000000 -0.288675 0.000000 )
( 0.288675 0.000000 0.577350 -0.000000 0.288675 0.000000 )
freq ( 5) = 37.001544 [THz] = 1234.238664 [cm-1]
( -0.500000 0.000000 -0.000000 0.000000 0.500000 -0.000000 )
( 0.500000 0.000000 0.000000 0.000000 -0.500000 0.000000 )
freq ( 6) = 38.855614 [THz] = 1296.083761 [cm-1]
( -0.408248 0.000000 0.408248 -0.000000 -0.408248 0.000000 )
( 0.408248 -0.000000 -0.408248 0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 -0.2500 0.2500
**************************************************************************
freq ( 1) = 12.190474 [THz] = 406.630448 [cm-1]
( 0.283159 -0.056162 0.566318 -0.112325 0.283159 -0.056162 )
( 0.288675 0.000000 0.577350 0.000000 0.288675 0.000000 )
freq ( 2) = 12.190474 [THz] = 406.630450 [cm-1]
( -0.490446 0.097276 -0.000000 -0.000000 0.490446 -0.097276 )
( -0.500000 -0.000000 -0.000000 -0.000000 0.500000 0.000000 )
freq ( 3) = 21.517617 [THz] = 717.750447 [cm-1]
( -0.353688 0.203890 0.353688 -0.203890 -0.353688 0.203890 )
( -0.408248 0.000000 0.408248 0.000000 -0.408248 0.000000 )
freq ( 4) = 38.639132 [THz] = 1288.862717 [cm-1]
( 0.490446 -0.097276 0.000000 -0.000000 -0.490446 0.097276 )
( -0.500000 0.000000 -0.000000 0.000000 0.500000 0.000000 )
freq ( 5) = 38.639132 [THz] = 1288.862718 [cm-1]
( 0.283159 -0.056162 0.566318 -0.112325 0.283159 -0.056162 )
( -0.288675 0.000000 -0.577350 0.000000 -0.288675 0.000000 )
freq ( 6) = 40.229138 [THz] = 1341.899601 [cm-1]
( -0.353688 0.203890 0.353688 -0.203890 -0.353688 0.203890 )
( 0.408248 -0.000000 -0.408248 -0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 0.2500 0.2500
**************************************************************************
freq ( 1) = 12.190474 [THz] = 406.630452 [cm-1]
( -0.220838 -0.498153 0.274355 0.228330 -0.053517 0.269823 )
( 0.445670 -0.313535 -0.170591 0.313535 -0.275079 0.000000 )
freq ( 2) = 12.190474 [THz] = 406.630452 [cm-1]
( 0.183554 -0.052108 -0.084798 -0.445800 -0.098756 0.497908 )
( 0.086823 0.169909 0.420784 -0.169909 -0.507607 0.000000 )
freq ( 3) = 21.517617 [THz] = 717.750450 [cm-1]
( 0.203890 -0.353688 0.203890 -0.353688 0.203890 -0.353688 )
( 0.408248 0.000000 0.408248 0.000000 0.408248 0.000000 )
freq ( 4) = 38.639132 [THz] = 1288.862717 [cm-1]
( 0.307880 -0.350992 -0.321076 0.417522 0.013196 -0.066530 )
( -0.404184 -0.233711 0.472010 0.233711 -0.067826 0.000000 )
freq ( 5) = 38.639132 [THz] = 1288.862717 [cm-1]
( 0.092975 -0.326655 0.018572 -0.235742 -0.111547 0.562397 )
( -0.338502 -0.027647 -0.234851 0.027647 0.573352 0.000000 )
freq ( 6) = 40.229138 [THz] = 1341.899599 [cm-1]
( 0.203890 -0.353688 0.203890 -0.353688 0.203890 -0.353688 )
( -0.408248 -0.000000 -0.408248 0.000000 -0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.5000 0.0000
**************************************************************************
freq ( 1) = 16.034554 [THz] = 534.855142 [cm-1]
( -0.237826 0.439817 -0.000000 -0.000000 0.237826 -0.439817 )
( -0.500000 0.000000 0.000000 -0.000000 0.500000 0.000000 )
freq ( 2) = 16.034554 [THz] = 534.855147 [cm-1]
( 0.439817 -0.237826 0.000000 -0.000000 0.439817 -0.237826 )
( 0.500000 -0.000000 0.000000 -0.000000 0.500000 0.000000 )
freq ( 3) = 23.072896 [THz] = 769.628960 [cm-1]
( 0.000000 -0.000000 -0.432195 0.559650 0.000000 -0.000000 )
( 0.000000 -0.000000 -0.701340 0.090124 0.000000 0.000000 )
freq ( 4) = 37.402124 [THz] = 1247.600550 [cm-1]
( 0.439817 -0.237826 -0.000000 0.000000 0.439817 -0.237826 )
( -0.500000 0.000000 0.000000 0.000000 -0.500000 0.000000 )
freq ( 5) = 37.402124 [THz] = 1247.600552 [cm-1]
( -0.237826 0.439817 -0.000000 0.000000 0.237826 -0.439817 )
( 0.500000 -0.000000 0.000000 0.000000 -0.500000 0.000000 )
freq ( 6) = 40.733389 [THz] = 1358.719598 [cm-1]
( -0.000000 0.000000 -0.627668 0.325627 -0.000000 0.000000 )
( 0.000000 -0.000000 0.674081 0.213575 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7500 -0.2500 0.7500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283088 [cm-1]
( 0.182967 -0.465321 0.000000 0.000000 -0.182967 0.465321 )
( 0.500000 -0.000000 -0.000000 0.000000 -0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640646 [cm-1]
( -0.372901 0.187892 -0.339797 0.189265 -0.372901 0.187892 )
( -0.417562 0.000000 -0.388617 -0.016122 -0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203553 [cm-1]
( 0.192757 0.254060 -0.543101 0.040473 0.192757 0.254060 )
( 0.318907 -0.000000 -0.296024 -0.457129 0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678795 [cm-1]
( -0.182967 0.465321 -0.000000 -0.000000 0.182967 -0.465321 )
( 0.500000 -0.000000 0.000000 -0.000000 -0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.465228 -0.010315 -0.192245 -0.173076 0.465228 -0.010315 )
( -0.465342 0.000000 0.188361 -0.177295 -0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( 0.008032 0.085629 0.676096 0.167631 0.008032 0.085629 )
( -0.086005 -0.000000 -0.230039 -0.657487 -0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 0.0000 0.5000
**************************************************************************
freq ( 1) = 18.354960 [THz] = 612.255560 [cm-1]
( -0.000000 -0.500000 0.000000 -0.000000 0.000000 0.500000 )
( 0.500000 0.000000 0.000000 0.000000 -0.500000 0.000000 )
freq ( 2) = 23.228240 [THz] = 774.810683 [cm-1]
( 0.000000 -0.033575 -0.705511 -0.000000 0.000000 -0.033575 )
( -0.033575 0.000000 0.000000 -0.705511 -0.033575 0.000000 )
freq ( 3) = 27.180543 [THz] = 906.645326 [cm-1]
( -0.000000 0.472984 -0.229288 0.000000 -0.000000 0.472984 )
( -0.472984 -0.000000 -0.000000 0.229288 -0.472984 0.000000 )
freq ( 4) = 36.319299 [THz] = 1211.481427 [cm-1]
( 0.000000 0.500000 -0.000000 -0.000000 -0.000000 -0.500000 )
( 0.500000 0.000000 -0.000000 0.000000 -0.500000 0.000000 )
freq ( 5) = 37.536757 [THz] = 1252.091450 [cm-1]
( 0.000000 -0.498871 0.047482 -0.000000 0.000000 -0.498871 )
( -0.498871 -0.000000 -0.000000 0.047482 -0.498871 0.000000 )
freq ( 6) = 38.233790 [THz] = 1275.341968 [cm-1]
( -0.000000 0.162131 0.668900 0.000000 -0.000000 0.162131 )
( -0.162131 -0.000000 0.000000 -0.668900 -0.162131 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.5000 -0.5000 -0.5000
**************************************************************************
freq ( 1) = 17.028048 [THz] = 567.994536 [cm-1]
( -0.500000 0.000000 0.500000 -0.000000 -0.000000 0.000000 )
( 0.500000 -0.000000 -0.500000 0.000000 0.000000 0.000000 )
freq ( 2) = 17.028048 [THz] = 567.994536 [cm-1]
( -0.288675 0.000000 -0.288675 0.000000 0.577350 -0.000000 )
( 0.288675 0.000000 0.288675 -0.000000 -0.577350 0.000000 )
freq ( 3) = 31.900796 [THz] = 1064.096023 [cm-1]
( 0.408248 -0.000000 0.408248 -0.000000 0.408248 -0.000000 )
( -0.408248 0.000000 -0.408248 -0.000000 -0.408248 0.000000 )
freq ( 4) = 37.001544 [THz] = 1234.238665 [cm-1]
( 0.216223 0.000000 -0.571723 -0.000000 0.355500 -0.000000 )
( 0.216223 0.000000 -0.571723 -0.000000 0.355500 0.000000 )
freq ( 5) = 37.001544 [THz] = 1234.238665 [cm-1]
( 0.535332 0.000000 -0.080411 -0.000000 -0.454921 0.000000 )
( 0.535332 0.000000 -0.080411 -0.000000 -0.454921 0.000000 )
freq ( 6) = 38.855613 [THz] = 1296.083753 [cm-1]
( 0.408248 -0.000000 0.408248 -0.000000 0.408248 -0.000000 )
( 0.408248 0.000000 0.408248 -0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.7500 -0.2500 -0.7500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283088 [cm-1]
( 0.465321 0.182967 -0.000000 -0.000000 -0.465321 -0.182967 )
( -0.500000 -0.000000 0.000000 0.000000 0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640643 [cm-1]
( -0.187892 -0.372901 0.189265 0.339797 -0.187892 -0.372901 )
( 0.417562 -0.000000 -0.388617 -0.016122 0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203556 [cm-1]
( -0.254060 0.192757 0.040473 0.543101 -0.254060 0.192757 )
( -0.318907 -0.000000 -0.296024 -0.457129 -0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678795 [cm-1]
( 0.465321 0.182967 -0.000000 -0.000000 -0.465321 -0.182967 )
( 0.500000 0.000000 0.000000 -0.000000 -0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864372 [cm-1]
( 0.010315 0.465228 -0.173076 0.192245 0.010315 0.465228 )
( 0.465342 0.000000 0.188361 -0.177295 0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.085629 0.008032 0.167630 -0.676096 -0.085629 0.008032 )
( 0.086005 -0.000000 -0.230039 -0.657486 0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 -1.0000 0.0000
**************************************************************************
freq ( 1) = 24.442448 [THz] = 815.312306 [cm-1]
( 0.500000 -0.000000 0.000000 -0.000000 -0.500000 0.000000 )
( -0.500000 -0.000000 -0.000000 -0.000000 0.500000 0.000000 )
freq ( 2) = 24.442448 [THz] = 815.312307 [cm-1]
( 0.500000 0.000000 0.000000 -0.000000 0.500000 0.000000 )
( 0.500000 0.000000 0.000000 0.000000 0.500000 0.000000 )
freq ( 3) = 32.545918 [THz] = 1085.614961 [cm-1]
( 0.500000 0.000000 -0.000000 0.000000 0.500000 0.000000 )
( -0.500000 0.000000 0.000000 0.000000 -0.500000 0.000000 )
freq ( 4) = 32.545918 [THz] = 1085.614962 [cm-1]
( 0.500000 -0.000000 0.000000 -0.000000 -0.500000 0.000000 )
( 0.500000 -0.000000 -0.000000 0.000000 -0.500000 0.000000 )
freq ( 5) = 36.813053 [THz] = 1227.951271 [cm-1]
( 0.000000 0.000000 0.707107 -0.000000 0.000000 0.000000 )
( -0.000000 0.000000 -0.707107 -0.000000 -0.000000 0.000000 )
freq ( 6) = 36.813053 [THz] = 1227.951276 [cm-1]
( -0.000000 -0.000000 0.707107 0.000000 -0.000000 -0.000000 )
( -0.000000 -0.000000 0.707107 0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.2500 -0.7500 -0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283088 [cm-1]
( 0.465321 -0.182967 0.000000 -0.000000 -0.465321 0.182967 )
( -0.500000 0.000000 -0.000000 0.000000 0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640643 [cm-1]
( -0.187892 0.372901 0.189265 -0.339797 -0.187892 0.372901 )
( 0.417562 -0.000000 -0.388617 0.016122 0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203556 [cm-1]
( -0.254060 -0.192757 0.040473 -0.543101 -0.254060 -0.192757 )
( -0.318907 0.000000 -0.296024 0.457129 -0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678795 [cm-1]
( 0.465321 -0.182967 0.000000 0.000000 -0.465321 0.182967 )
( 0.500000 -0.000000 0.000000 0.000000 -0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864372 [cm-1]
( 0.010315 -0.465228 -0.173076 -0.192245 0.010315 -0.465228 )
( 0.465342 -0.000000 0.188361 0.177295 0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.085629 -0.008032 0.167630 0.676096 -0.085629 -0.008032 )
( 0.086005 -0.000000 -0.230039 0.657486 0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.2500 -0.2500 -0.2500
**************************************************************************
freq ( 1) = 12.190474 [THz] = 406.630452 [cm-1]
( -0.220838 0.498153 0.274355 -0.228330 -0.053517 -0.269823 )
( 0.445670 0.313535 -0.170591 -0.313535 -0.275079 0.000000 )
freq ( 2) = 12.190474 [THz] = 406.630452 [cm-1]
( 0.183554 0.052108 -0.084798 0.445800 -0.098756 -0.497908 )
( 0.086823 -0.169909 0.420784 0.169909 -0.507607 0.000000 )
freq ( 3) = 21.517617 [THz] = 717.750450 [cm-1]
( 0.203890 0.353688 0.203890 0.353688 0.203890 0.353688 )
( 0.408248 -0.000000 0.408248 -0.000000 0.408248 0.000000 )
freq ( 4) = 38.639132 [THz] = 1288.862717 [cm-1]
( 0.307880 0.350992 -0.321076 -0.417522 0.013196 0.066530 )
( -0.404184 0.233711 0.472010 -0.233711 -0.067826 0.000000 )
freq ( 5) = 38.639132 [THz] = 1288.862717 [cm-1]
( 0.092975 0.326655 0.018572 0.235742 -0.111547 -0.562397 )
( -0.338502 0.027647 -0.234851 -0.027647 0.573352 0.000000 )
freq ( 6) = 40.229138 [THz] = 1341.899599 [cm-1]
( 0.203890 0.353688 0.203890 0.353688 0.203890 0.353688 )
( -0.408248 0.000000 -0.408248 -0.000000 -0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.5000 0.0000 -0.5000
**************************************************************************
freq ( 1) = 18.354960 [THz] = 612.255560 [cm-1]
( -0.000000 0.500000 0.000000 0.000000 0.000000 -0.500000 )
( 0.500000 -0.000000 0.000000 0.000000 -0.500000 0.000000 )
freq ( 2) = 23.228240 [THz] = 774.810683 [cm-1]
( 0.000000 0.033575 -0.705511 0.000000 0.000000 0.033575 )
( -0.033575 -0.000000 0.000000 0.705511 -0.033575 0.000000 )
freq ( 3) = 27.180543 [THz] = 906.645326 [cm-1]
( -0.000000 -0.472984 -0.229288 -0.000000 -0.000000 -0.472984 )
( -0.472984 0.000000 -0.000000 -0.229288 -0.472984 0.000000 )
freq ( 4) = 36.319299 [THz] = 1211.481427 [cm-1]
( 0.000000 -0.500000 -0.000000 0.000000 -0.000000 0.500000 )
( 0.500000 -0.000000 -0.000000 -0.000000 -0.500000 0.000000 )
freq ( 5) = 37.536757 [THz] = 1252.091450 [cm-1]
( 0.000000 0.498871 0.047482 0.000000 0.000000 0.498871 )
( -0.498871 0.000000 -0.000000 -0.047482 -0.498871 0.000000 )
freq ( 6) = 38.233790 [THz] = 1275.341968 [cm-1]
( -0.000000 -0.162131 0.668900 -0.000000 -0.000000 -0.162131 )
( -0.162131 0.000000 0.000000 0.668900 -0.162131 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 -0.7500 0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283088 [cm-1]
( 0.182967 0.465321 -0.000000 -0.000000 -0.182967 -0.465321 )
( 0.500000 0.000000 -0.000000 -0.000000 -0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640646 [cm-1]
( -0.372901 -0.187892 -0.339797 -0.189265 -0.372901 -0.187892 )
( -0.417562 0.000000 -0.388617 0.016122 -0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203553 [cm-1]
( 0.192757 -0.254060 -0.543101 -0.040473 0.192757 -0.254060 )
( 0.318907 0.000000 -0.296024 0.457129 0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678795 [cm-1]
( -0.182967 -0.465321 -0.000000 0.000000 0.182967 0.465321 )
( 0.500000 -0.000000 0.000000 0.000000 -0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.465228 0.010315 -0.192245 0.173076 0.465228 0.010315 )
( -0.465342 0.000000 0.188361 0.177295 -0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( 0.008032 -0.085629 0.676096 -0.167631 0.008032 -0.085629 )
( -0.086005 -0.000000 -0.230039 0.657487 -0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 -0.5000 0.0000
**************************************************************************
freq ( 1) = 16.034554 [THz] = 534.855142 [cm-1]
( -0.237826 -0.439817 -0.000000 0.000000 0.237826 0.439817 )
( -0.500000 -0.000000 0.000000 0.000000 0.500000 0.000000 )
freq ( 2) = 16.034554 [THz] = 534.855147 [cm-1]
( 0.439817 0.237826 0.000000 0.000000 0.439817 0.237826 )
( 0.500000 0.000000 0.000000 0.000000 0.500000 0.000000 )
freq ( 3) = 23.072896 [THz] = 769.628960 [cm-1]
( 0.000000 0.000000 -0.432195 -0.559650 0.000000 0.000000 )
( 0.000000 0.000000 -0.701340 -0.090124 0.000000 0.000000 )
freq ( 4) = 37.402124 [THz] = 1247.600550 [cm-1]
( 0.439817 0.237826 -0.000000 -0.000000 0.439817 0.237826 )
( -0.500000 -0.000000 0.000000 -0.000000 -0.500000 0.000000 )
freq ( 5) = 37.402124 [THz] = 1247.600552 [cm-1]
( -0.237826 -0.439817 -0.000000 -0.000000 0.237826 0.439817 )
( 0.500000 0.000000 0.000000 -0.000000 -0.500000 0.000000 )
freq ( 6) = 40.733389 [THz] = 1358.719598 [cm-1]
( -0.000000 -0.000000 -0.627668 -0.325627 -0.000000 -0.000000 )
( 0.000000 0.000000 0.674081 -0.213575 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.2500 -0.2500 0.2500
**************************************************************************
freq ( 1) = 12.190474 [THz] = 406.630448 [cm-1]
( 0.283159 0.056162 0.283159 0.056162 0.566318 0.112325 )
( 0.288675 0.000000 0.288675 -0.000000 0.577350 0.000000 )
freq ( 2) = 12.190474 [THz] = 406.630450 [cm-1]
( -0.414909 -0.279017 0.414909 0.279017 0.000000 0.000000 )
( -0.461265 -0.192964 0.461265 0.192964 0.000000 0.000000 )
freq ( 3) = 21.517617 [THz] = 717.750447 [cm-1]
( -0.353688 -0.203890 -0.353688 -0.203890 0.353688 0.203890 )
( -0.408248 -0.000000 -0.408248 -0.000000 0.408248 0.000000 )
freq ( 4) = 38.639132 [THz] = 1288.862717 [cm-1]
( 0.492903 0.083946 -0.492903 -0.083946 0.000000 0.000000 )
( -0.499816 0.013554 0.499816 -0.013554 -0.000000 0.000000 )
freq ( 5) = 38.639132 [THz] = 1288.862718 [cm-1]
( -0.283159 -0.056162 -0.283159 -0.056162 -0.566318 -0.112325 )
( 0.288675 0.000000 0.288675 -0.000000 0.577350 0.000000 )
freq ( 6) = 40.229138 [THz] = 1341.899601 [cm-1]
( 0.353688 0.203890 0.353688 0.203890 -0.353688 -0.203890 )
( -0.408248 -0.000000 -0.408248 -0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.5000 0.0000 0.0000
**************************************************************************
freq ( 1) = 16.034554 [THz] = 534.855142 [cm-1]
( -0.000000 0.000000 -0.237826 -0.439817 0.237826 0.439817 )
( -0.000000 0.000000 -0.500000 0.000000 0.500000 0.000000 )
freq ( 2) = 16.034554 [THz] = 534.855147 [cm-1]
( -0.000000 -0.000000 -0.439817 -0.237826 -0.439817 -0.237826 )
( -0.000000 -0.000000 -0.500000 0.000000 -0.500000 0.000000 )
freq ( 3) = 23.072896 [THz] = 769.628960 [cm-1]
( -0.432195 -0.559650 0.000000 0.000000 0.000000 0.000000 )
( -0.701340 -0.090124 0.000000 0.000000 0.000000 0.000000 )
freq ( 4) = 37.402124 [THz] = 1247.600550 [cm-1]
( 0.000000 0.000000 -0.439817 -0.237826 -0.439817 -0.237826 )
( -0.000000 0.000000 0.500000 -0.000000 0.500000 0.000000 )
freq ( 5) = 37.402124 [THz] = 1247.600552 [cm-1]
( -0.000000 -0.000000 -0.237826 -0.439817 0.237826 0.439817 )
( 0.000000 0.000000 0.500000 -0.000000 -0.500000 0.000000 )
freq ( 6) = 40.733389 [THz] = 1358.719598 [cm-1]
( -0.627668 -0.325627 -0.000000 -0.000000 -0.000000 -0.000000 )
( 0.674081 -0.213575 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 -0.7500 0.7500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283094 [cm-1]
( -0.000000 -0.000000 0.465321 0.182967 0.465321 0.182967 )
( -0.000000 0.000000 0.500000 -0.000000 0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640639 [cm-1]
( -0.189265 -0.339797 -0.187892 -0.372901 0.187892 0.372901 )
( -0.388617 -0.016122 -0.417562 -0.000000 0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203560 [cm-1]
( -0.040473 -0.543101 -0.254060 0.192757 0.254060 -0.192757 )
( -0.296024 -0.457129 0.318907 -0.000000 -0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678792 [cm-1]
( -0.000000 -0.000000 -0.465321 -0.182967 -0.465321 -0.182967 )
( 0.000000 -0.000000 0.500000 0.000000 0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.173076 -0.192245 0.010315 0.465228 -0.010315 -0.465228 )
( 0.188361 -0.177295 -0.465342 -0.000000 0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.167630 0.676096 -0.085629 0.008032 0.085629 -0.008032 )
( -0.230039 -0.657486 -0.086005 0.000000 0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 -0.5000 0.5000
**************************************************************************
freq ( 1) = 18.354960 [THz] = 612.255561 [cm-1]
( 0.000000 0.000000 0.500000 0.000000 0.500000 0.000000 )
( 0.000000 0.000000 0.500000 0.000000 0.500000 0.000000 )
freq ( 2) = 23.228240 [THz] = 774.810684 [cm-1]
( -0.000000 -0.705511 0.033575 0.000000 -0.033575 0.000000 )
( -0.000000 -0.705511 -0.033575 0.000000 0.033575 0.000000 )
freq ( 3) = 27.180543 [THz] = 906.645317 [cm-1]
( 0.000000 -0.229288 -0.472984 -0.000000 0.472984 0.000000 )
( -0.000000 0.229288 -0.472984 -0.000000 0.472984 0.000000 )
freq ( 4) = 36.319299 [THz] = 1211.481427 [cm-1]
( -0.000000 -0.000000 0.500000 0.000000 0.500000 0.000000 )
( 0.000000 -0.000000 -0.500000 -0.000000 -0.500000 0.000000 )
freq ( 5) = 37.536758 [THz] = 1252.091456 [cm-1]
( 0.000000 -0.047482 -0.498871 -0.000000 0.498871 0.000000 )
( 0.000000 -0.047482 0.498871 0.000000 -0.498871 0.000000 )
freq ( 6) = 38.233790 [THz] = 1275.341968 [cm-1]
( 0.000000 -0.668900 0.162131 0.000000 -0.162131 -0.000000 )
( -0.000000 0.668900 0.162131 0.000000 -0.162131 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.0000 0.5000
**************************************************************************
freq ( 1) = 16.034554 [THz] = 534.855142 [cm-1]
( -0.499987 0.003604 0.499987 -0.003604 0.000000 -0.000000 )
( -0.240989 -0.438091 0.240989 0.438091 0.000000 0.000000 )
freq ( 2) = 16.034554 [THz] = 534.855147 [cm-1]
( 0.445913 -0.226188 0.445913 -0.226188 0.000000 -0.000000 )
( 0.499827 0.013136 0.499827 0.013136 0.000000 0.000000 )
freq ( 3) = 23.072896 [THz] = 769.628960 [cm-1]
( 0.000000 -0.000000 0.000000 -0.000000 -0.500000 0.500000 )
( 0.000000 0.000000 0.000000 0.000000 -0.707107 0.000000 )
freq ( 4) = 37.402124 [THz] = 1247.600550 [cm-1]
( 0.311178 -0.391367 0.311178 -0.391367 -0.000000 0.000000 )
( -0.459877 0.196248 -0.459877 0.196248 0.000000 0.000000 )
freq ( 5) = 37.402124 [THz] = 1247.600552 [cm-1]
( -0.498975 -0.031993 0.498975 0.031993 -0.000000 0.000000 )
( 0.209196 0.454133 -0.209196 -0.454133 0.000000 0.000000 )
freq ( 6) = 40.733389 [THz] = 1358.719598 [cm-1]
( -0.000000 0.000000 -0.000000 0.000000 -0.500000 0.500000 )
( 0.000000 -0.000000 0.000000 -0.000000 0.707107 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.2500 0.2500 0.2500
**************************************************************************
freq ( 1) = 12.190474 [THz] = 406.630448 [cm-1]
( 0.566318 -0.112325 0.283159 -0.056162 0.283159 -0.056162 )
( 0.577350 -0.000000 0.288675 -0.000000 0.288675 0.000000 )
freq ( 2) = 12.190474 [THz] = 406.630450 [cm-1]
( 0.000000 0.000000 -0.490446 0.097276 0.490446 -0.097276 )
( 0.000000 0.000000 -0.500000 0.000000 0.500000 0.000000 )
freq ( 3) = 21.517617 [THz] = 717.750447 [cm-1]
( 0.353688 -0.203890 -0.353688 0.203890 -0.353688 0.203890 )
( 0.408248 0.000000 -0.408248 -0.000000 -0.408248 0.000000 )
freq ( 4) = 38.639132 [THz] = 1288.862717 [cm-1]
( 0.000000 0.000000 0.490446 -0.097276 -0.490446 0.097276 )
( -0.000000 -0.000000 -0.500000 -0.000000 0.500000 0.000000 )
freq ( 5) = 38.639132 [THz] = 1288.862718 [cm-1]
( 0.566318 -0.112325 0.283159 -0.056162 0.283159 -0.056162 )
( -0.577350 -0.000000 -0.288675 -0.000000 -0.288675 0.000000 )
freq ( 6) = 40.229138 [THz] = 1341.899601 [cm-1]
( 0.353688 -0.203890 -0.353688 0.203890 -0.353688 0.203890 )
( -0.408248 -0.000000 0.408248 -0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.5000 1.0000
**************************************************************************
freq ( 1) = 18.354960 [THz] = 612.255561 [cm-1]
( 0.500000 -0.000000 0.500000 -0.000000 0.000000 0.000000 )
( 0.500000 -0.000000 0.500000 -0.000000 0.000000 0.000000 )
freq ( 2) = 23.228240 [THz] = 774.810684 [cm-1]
( 0.000000 -0.033575 0.000000 0.033575 -0.705511 -0.000000 )
( 0.000000 0.033575 0.000000 -0.033575 -0.705511 0.000000 )
freq ( 3) = 27.180543 [THz] = 906.645317 [cm-1]
( -0.000000 -0.472984 -0.000000 0.472984 0.229288 0.000000 )
( 0.000000 -0.472984 0.000000 0.472984 -0.229288 0.000000 )
freq ( 4) = 36.319299 [THz] = 1211.481427 [cm-1]
( 0.500000 -0.000000 0.500000 -0.000000 -0.000000 -0.000000 )
( -0.500000 0.000000 -0.500000 0.000000 0.000000 0.000000 )
freq ( 5) = 37.536758 [THz] = 1252.091456 [cm-1]
( -0.000000 -0.498871 -0.000000 0.498871 0.047482 0.000000 )
( -0.000000 0.498871 -0.000000 -0.498871 0.047482 0.000000 )
freq ( 6) = 38.233790 [THz] = 1275.341968 [cm-1]
( 0.000000 0.162131 0.000000 -0.162131 0.668900 0.000000 )
( -0.000000 0.162131 -0.000000 -0.162131 -0.668900 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 -0.2500 0.7500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283094 [cm-1]
( 0.398328 -0.302216 0.398328 -0.302216 -0.000000 0.000000 )
( 0.481292 -0.135494 0.481291 -0.135494 -0.000000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640639 [cm-1]
( 0.203187 -0.364792 -0.203187 0.364792 -0.203186 0.331660 )
( 0.417204 0.017307 -0.417204 -0.017307 -0.388951 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203560 [cm-1]
( 0.023700 -0.318025 -0.023700 0.318025 0.477864 -0.261233 )
( 0.173343 0.267682 -0.173343 -0.267682 0.544607 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678792 [cm-1]
( -0.251528 0.432127 -0.251528 0.432127 0.000000 0.000000 )
( 0.392212 -0.310112 0.392212 -0.310112 0.000000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( -0.311353 -0.345836 0.311353 0.345836 -0.257793 -0.021362 )
( -0.338850 0.318942 0.338850 -0.318942 -0.258676 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.020697 -0.083477 0.020697 0.083477 -0.582805 0.381504 )
( -0.028403 -0.081179 0.028403 0.081179 0.696568 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.7500 -0.7500 -0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283088 [cm-1]
( -0.381064 -0.323714 0.381064 0.323714 -0.000000 -0.000000 )
( 0.473091 0.161817 -0.473091 -0.161817 0.000000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640643 [cm-1]
( -0.203187 -0.364792 -0.203187 -0.364792 0.203186 0.331660 )
( 0.417204 -0.017308 0.417204 -0.017308 -0.388951 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203556 [cm-1]
( -0.023700 -0.318025 -0.023700 -0.318025 -0.477864 -0.261233 )
( 0.173343 -0.267682 0.173343 -0.267682 0.544607 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678795 [cm-1]
( -0.491929 0.089476 0.491929 -0.089476 0.000000 -0.000000 )
( -0.425067 0.263283 0.425067 -0.263283 -0.000000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864372 [cm-1]
( -0.311353 0.345836 -0.311353 0.345836 -0.257793 0.021362 )
( 0.338850 0.318942 0.338850 0.318942 0.258676 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.020697 0.083477 -0.020697 0.083477 -0.582805 -0.381504 )
( 0.028403 -0.081179 0.028403 -0.081179 -0.696568 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -1.0000 -0.5000 -0.5000
**************************************************************************
freq ( 1) = 18.354960 [THz] = 612.255560 [cm-1]
( -0.000000 0.000000 0.000000 0.500000 -0.000000 -0.500000 )
( -0.000000 0.000000 -0.500000 0.000000 0.500000 0.000000 )
freq ( 2) = 23.228240 [THz] = 774.810683 [cm-1]
( 0.705511 0.000000 -0.000000 0.033575 -0.000000 0.033575 )
( -0.000000 0.705511 0.033575 -0.000000 0.033575 0.000000 )
freq ( 3) = 27.180543 [THz] = 906.645326 [cm-1]
( 0.229288 -0.000000 0.000000 -0.472984 0.000000 -0.472984 )
( 0.000000 -0.229288 0.472984 0.000000 0.472984 0.000000 )
freq ( 4) = 36.319299 [THz] = 1211.481427 [cm-1]
( 0.000000 -0.000000 0.000000 0.500000 -0.000000 -0.500000 )
( -0.000000 -0.000000 0.500000 0.000000 -0.500000 0.000000 )
freq ( 5) = 37.536757 [THz] = 1252.091450 [cm-1]
( -0.047482 0.000000 -0.000000 0.498871 -0.000000 0.498871 )
( 0.000000 -0.047482 0.498871 -0.000000 0.498871 0.000000 )
freq ( 6) = 38.233790 [THz] = 1275.341968 [cm-1]
( -0.668900 -0.000000 0.000000 -0.162131 0.000000 -0.162131 )
( -0.000000 0.668900 0.162131 0.000000 0.162131 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.2500 -1.2500 0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283094 [cm-1]
( 0.465321 -0.182967 -0.000000 0.000000 0.465321 -0.182967 )
( 0.500000 0.000000 -0.000000 -0.000000 0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640639 [cm-1]
( -0.187892 0.372901 -0.189265 0.339797 0.187892 -0.372901 )
( -0.417562 0.000000 -0.388617 0.016122 0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203560 [cm-1]
( -0.254060 -0.192757 -0.040473 0.543101 0.254060 0.192757 )
( 0.318907 0.000000 -0.296024 0.457129 -0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678792 [cm-1]
( -0.465321 0.182967 -0.000000 0.000000 -0.465321 0.182967 )
( 0.500000 -0.000000 0.000000 0.000000 0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.010315 -0.465228 0.173076 0.192245 -0.010315 0.465228 )
( -0.465342 0.000000 0.188361 0.177295 0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.085629 -0.008032 -0.167630 -0.676096 0.085629 0.008032 )
( -0.086005 -0.000000 -0.230039 0.657486 0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.5000 -1.0000 0.0000
**************************************************************************
freq ( 1) = 27.315740 [THz] = 911.155005 [cm-1]
( -0.459186 -0.459186 -0.197859 0.000000 -0.000000 -0.197859 )
( -0.459186 -0.459186 -0.000000 -0.197859 -0.197859 0.000000 )
freq ( 2) = 27.315740 [THz] = 911.155005 [cm-1]
( 0.459186 0.459186 -0.197859 0.000000 -0.000000 -0.197859 )
( -0.459187 -0.459186 0.000000 0.197859 0.197859 0.000000 )
freq ( 3) = 31.225732 [THz] = 1041.578317 [cm-1]
( -0.000000 0.000000 -0.500000 0.000000 0.000000 0.500000 )
( 0.000000 -0.000000 0.000000 -0.500000 0.500000 0.000000 )
freq ( 4) = 31.225733 [THz] = 1041.578325 [cm-1]
( 0.000000 -0.000000 0.500000 -0.000000 -0.000000 -0.500000 )
( 0.000000 -0.000000 -0.000000 -0.500000 0.500000 0.000000 )
freq ( 5) = 35.941029 [THz] = 1198.863691 [cm-1]
( -0.197859 -0.197859 -0.459186 0.000000 -0.000000 -0.459186 )
( 0.197859 0.197859 -0.000000 0.459186 0.459186 0.000000 )
freq ( 6) = 35.941029 [THz] = 1198.863691 [cm-1]
( -0.197859 -0.197859 0.459186 -0.000000 0.000000 0.459186 )
( -0.197859 -0.197859 0.000000 0.459186 0.459186 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.5000 -0.5000 0.0000
**************************************************************************
freq ( 1) = 18.354960 [THz] = 612.255560 [cm-1]
( -0.210107 -0.453713 0.210107 0.453713 0.000000 -0.000000 )
( -0.453713 0.210107 0.453713 -0.210107 -0.000000 0.000000 )
freq ( 2) = 23.228240 [THz] = 774.810683 [cm-1]
( 0.033575 -0.000000 0.033575 -0.000000 -0.000000 0.705511 )
( -0.000000 0.033575 -0.000000 0.033575 0.705511 0.000000 )
freq ( 3) = 27.180543 [THz] = 906.645326 [cm-1]
( 0.472984 0.000000 0.472984 0.000000 0.000000 -0.229288 )
( 0.000000 -0.472984 0.000000 -0.472984 0.229288 0.000000 )
freq ( 4) = 36.319299 [THz] = 1211.481427 [cm-1]
( -0.078235 0.493841 0.078235 -0.493841 0.000000 -0.000000 )
( -0.493841 -0.078235 0.493841 0.078235 0.000000 0.000000 )
freq ( 5) = 37.536757 [THz] = 1252.091450 [cm-1]
( -0.498871 -0.000000 -0.498871 -0.000000 -0.000000 0.047482 )
( 0.000000 -0.498871 0.000000 -0.498871 0.047482 0.000000 )
freq ( 6) = 38.233790 [THz] = 1275.341968 [cm-1]
( -0.162131 0.000000 -0.162131 0.000000 0.000000 -0.668900 )
( -0.000000 0.162131 -0.000000 0.162131 0.668900 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.7500 -0.2500 -0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283088 [cm-1]
( 0.000000 0.000000 -0.465321 0.182967 0.465321 -0.182967 )
( 0.000000 0.000000 0.500000 0.000000 -0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640643 [cm-1]
( -0.189265 0.339797 0.187892 -0.372901 0.187892 -0.372901 )
( 0.388617 -0.016122 -0.417562 -0.000000 -0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203556 [cm-1]
( -0.040473 0.543101 0.254060 0.192757 0.254060 0.192757 )
( 0.296024 -0.457129 0.318907 0.000000 0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678795 [cm-1]
( 0.000000 -0.000000 -0.465321 0.182967 0.465321 -0.182967 )
( -0.000000 0.000000 -0.500000 0.000000 0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864372 [cm-1]
( 0.173076 0.192245 -0.010315 0.465228 -0.010315 0.465228 )
( -0.188361 -0.177295 -0.465342 0.000000 -0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.167630 -0.676096 0.085629 0.008032 0.085629 0.008032 )
( 0.230039 -0.657486 -0.086005 -0.000000 -0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 -1.0000 0.5000
**************************************************************************
freq ( 1) = 27.315740 [THz] = 911.155005 [cm-1]
( -0.139907 0.139907 -0.139907 -0.139907 -0.649387 -0.000000 )
( -0.139907 -0.139907 -0.139907 0.139907 -0.649387 0.000000 )
freq ( 2) = 27.315740 [THz] = 911.155005 [cm-1]
( -0.139907 0.139907 -0.139907 -0.139907 0.649387 0.000000 )
( 0.139907 0.139907 0.139907 -0.139907 -0.649387 0.000000 )
freq ( 3) = 31.225732 [THz] = 1041.578317 [cm-1]
( -0.353553 -0.353553 -0.353553 0.353553 -0.000000 -0.000000 )
( 0.353553 -0.353553 0.353553 0.353553 0.000000 0.000000 )
freq ( 4) = 31.225733 [THz] = 1041.578325 [cm-1]
( 0.353553 0.353554 0.353554 -0.353553 0.000000 0.000000 )
( 0.353554 -0.353553 0.353553 0.353554 0.000000 0.000000 )
freq ( 5) = 35.941029 [THz] = 1198.863691 [cm-1]
( -0.324694 0.324694 -0.324694 -0.324694 -0.279815 0.000000 )
( 0.324694 0.324693 0.324693 -0.324694 0.279815 0.000000 )
freq ( 6) = 35.941029 [THz] = 1198.863691 [cm-1]
( 0.324693 -0.324693 0.324693 0.324693 -0.279815 0.000000 )
( 0.324694 0.324694 0.324694 -0.324694 -0.279815 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.2500 -0.7500 0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283094 [cm-1]
( 0.465321 0.182967 -0.000000 -0.000000 0.465321 0.182967 )
( 0.500000 0.000000 -0.000000 0.000000 0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640639 [cm-1]
( -0.187892 -0.372901 0.189265 0.339797 0.187892 0.372901 )
( -0.417562 0.000000 0.388617 0.016122 0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203560 [cm-1]
( -0.254060 0.192757 0.040473 0.543101 0.254060 -0.192757 )
( 0.318907 0.000000 0.296024 0.457129 -0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678792 [cm-1]
( -0.465321 -0.182967 -0.000000 -0.000000 -0.465321 -0.182967 )
( 0.500000 -0.000000 0.000000 -0.000000 0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.010315 0.465228 -0.173076 0.192245 -0.010315 -0.465228 )
( -0.465342 0.000000 -0.188361 0.177295 0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.085629 0.008032 0.167630 -0.676096 0.085629 -0.008032 )
( -0.086005 -0.000000 0.230039 0.657486 0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 0.5000 -0.5000
**************************************************************************
freq ( 1) = 17.028048 [THz] = 567.994538 [cm-1]
( 0.500000 0.000000 -0.500000 -0.000000 -0.000000 0.000000 )
( 0.500000 0.000000 -0.500000 -0.000000 -0.000000 0.000000 )
freq ( 2) = 17.028048 [THz] = 567.994541 [cm-1]
( 0.288675 -0.000000 0.288675 -0.000000 0.577350 -0.000000 )
( 0.288675 0.000000 0.288675 -0.000000 0.577350 0.000000 )
freq ( 3) = 31.900796 [THz] = 1064.096013 [cm-1]
( 0.408248 -0.000000 0.408248 -0.000000 -0.408248 0.000000 )
( 0.408248 0.000000 0.408248 0.000000 -0.408248 0.000000 )
freq ( 4) = 37.001544 [THz] = 1234.238663 [cm-1]
( -0.288675 0.000000 -0.288675 0.000000 -0.577350 0.000000 )
( 0.288675 -0.000000 0.288675 0.000000 0.577350 0.000000 )
freq ( 5) = 37.001544 [THz] = 1234.238664 [cm-1]
( -0.499574 -0.020635 0.499574 0.020635 -0.000000 -0.000000 )
( 0.499574 0.020635 -0.499574 -0.020635 0.000000 0.000000 )
freq ( 6) = 38.855614 [THz] = 1296.083761 [cm-1]
( 0.408248 -0.000000 0.408248 -0.000000 -0.408248 0.000000 )
( -0.408248 -0.000000 -0.408248 -0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 0.7500 -0.7500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283094 [cm-1]
( 0.000000 0.000000 -0.465321 -0.182967 -0.465321 -0.182967 )
( 0.000000 -0.000000 -0.500000 -0.000000 -0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640639 [cm-1]
( -0.189265 -0.339797 0.187892 0.372901 -0.187892 -0.372901 )
( -0.388617 -0.016122 0.417562 -0.000000 -0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203560 [cm-1]
( -0.040473 -0.543101 0.254060 -0.192757 -0.254060 0.192757 )
( -0.296024 -0.457129 -0.318907 -0.000000 0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678792 [cm-1]
( 0.000000 0.000000 0.465321 0.182967 0.465321 0.182967 )
( -0.000000 0.000000 -0.500000 0.000000 -0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.173076 -0.192245 -0.010315 -0.465228 0.010315 0.465228 )
( 0.188361 -0.177295 0.465342 -0.000000 -0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.167630 0.676096 0.085629 -0.008032 -0.085629 0.008032 )
( -0.230039 -0.657486 0.086005 0.000000 -0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.0000 0.0000
**************************************************************************
freq ( 1) = 24.442448 [THz] = 815.312306 [cm-1]
( -0.000000 0.000000 -0.500000 -0.000000 0.500000 0.000000 )
( -0.000000 0.000000 0.500000 -0.000000 -0.500000 0.000000 )
freq ( 2) = 24.442448 [THz] = 815.312307 [cm-1]
( 0.000000 0.000000 0.500000 -0.000000 0.500000 -0.000000 )
( 0.000000 -0.000000 0.500000 -0.000000 0.500000 0.000000 )
freq ( 3) = 32.545918 [THz] = 1085.614961 [cm-1]
( 0.000000 0.000000 -0.500000 0.000000 -0.500000 0.000000 )
( -0.000000 0.000000 0.500000 0.000000 0.500000 0.000000 )
freq ( 4) = 32.545918 [THz] = 1085.614962 [cm-1]
( -0.000000 -0.000000 -0.500000 -0.000000 0.500000 0.000000 )
( 0.000000 0.000000 -0.500000 -0.000000 0.500000 0.000000 )
freq ( 5) = 36.813053 [THz] = 1227.951271 [cm-1]
( -0.707107 -0.000000 -0.000000 0.000000 -0.000000 0.000000 )
( 0.707107 -0.000000 0.000000 -0.000000 0.000000 0.000000 )
freq ( 6) = 36.813053 [THz] = 1227.951276 [cm-1]
( 0.707107 -0.000000 -0.000000 0.000000 -0.000000 0.000000 )
( 0.707107 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7500 0.2500 -0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283094 [cm-1]
( 0.000000 -0.000000 -0.465321 0.182967 -0.465321 0.182967 )
( 0.000000 0.000000 -0.500000 0.000000 -0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640639 [cm-1]
( -0.189265 0.339797 0.187892 -0.372901 -0.187892 0.372901 )
( -0.388617 0.016122 0.417562 0.000000 -0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203560 [cm-1]
( -0.040473 0.543101 0.254060 0.192757 -0.254060 -0.192757 )
( -0.296024 0.457129 -0.318907 0.000000 0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678792 [cm-1]
( 0.000000 -0.000000 0.465321 -0.182967 0.465321 -0.182967 )
( -0.000000 -0.000000 -0.500000 -0.000000 -0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.173076 0.192245 -0.010315 0.465228 0.010315 -0.465228 )
( 0.188361 0.177295 0.465342 0.000000 -0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.167630 -0.676096 0.085629 0.008032 -0.085629 -0.008032 )
( -0.230039 0.657486 0.086005 -0.000000 -0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7500 0.7500 -0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283088 [cm-1]
( 0.101084 0.489675 -0.101084 -0.489675 -0.000000 0.000000 )
( -0.418722 0.273262 0.418722 -0.273262 -0.000000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640646 [cm-1]
( -0.364792 0.203187 -0.364792 0.203187 -0.331660 0.203186 )
( -0.417204 0.017308 -0.417204 0.017308 -0.388951 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203553 [cm-1]
( 0.318025 -0.023700 0.318025 -0.023700 -0.261233 0.477864 )
( 0.173343 -0.267682 0.173343 -0.267682 -0.544607 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678795 [cm-1]
( 0.498681 0.036301 -0.498681 -0.036301 0.000000 -0.000000 )
( -0.148701 -0.477376 0.148701 0.477376 0.000000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.345836 0.311353 0.345836 0.311353 -0.021362 -0.257793 )
( -0.338850 -0.318942 -0.338850 -0.318942 0.258676 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( 0.083477 0.020697 0.083477 0.020697 0.381504 -0.582805 )
( -0.028403 0.081179 -0.028403 0.081179 -0.696568 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 1.0000 -0.5000
**************************************************************************
freq ( 1) = 18.354960 [THz] = 612.255561 [cm-1]
( 0.500000 0.000000 0.000000 -0.000000 0.500000 0.000000 )
( 0.500000 0.000000 0.000000 -0.000000 0.500000 0.000000 )
freq ( 2) = 23.228240 [THz] = 774.810684 [cm-1]
( 0.033575 0.000000 -0.000000 -0.705511 -0.033575 0.000000 )
( -0.033575 0.000000 -0.000000 -0.705511 0.033575 0.000000 )
freq ( 3) = 27.180543 [THz] = 906.645317 [cm-1]
( -0.472984 -0.000000 0.000000 -0.229288 0.472984 0.000000 )
( -0.472984 -0.000000 -0.000000 0.229288 0.472984 0.000000 )
freq ( 4) = 36.319299 [THz] = 1211.481427 [cm-1]
( 0.500000 -0.000000 -0.000000 -0.000000 0.500000 0.000000 )
( -0.500000 -0.000000 0.000000 0.000000 -0.500000 0.000000 )
freq ( 5) = 37.536758 [THz] = 1252.091456 [cm-1]
( -0.498871 0.000000 0.000000 -0.047482 0.498871 0.000000 )
( 0.498871 0.000000 0.000000 -0.047482 -0.498871 0.000000 )
freq ( 6) = 38.233790 [THz] = 1275.341968 [cm-1]
( 0.162131 -0.000000 0.000000 -0.668900 -0.162131 -0.000000 )
( 0.162131 0.000000 -0.000000 0.668900 -0.162131 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.2500 0.2500 0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283088 [cm-1]
( -0.000000 0.000000 -0.182967 -0.465321 0.182967 0.465321 )
( 0.000000 -0.000000 -0.500000 0.000000 0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640646 [cm-1]
( 0.339797 0.189265 0.372901 0.187892 0.372901 0.187892 )
( 0.388617 -0.016122 0.417562 0.000000 0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203553 [cm-1]
( 0.543101 0.040473 -0.192757 0.254060 -0.192757 0.254060 )
( 0.296024 -0.457129 -0.318907 0.000000 -0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678795 [cm-1]
( 0.000000 -0.000000 0.182967 0.465321 -0.182967 -0.465321 )
( -0.000000 -0.000000 -0.500000 0.000000 0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.192245 -0.173076 -0.465228 -0.010315 -0.465228 -0.010315 )
( -0.188361 -0.177295 0.465342 -0.000000 0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.676096 0.167631 -0.008032 0.085629 -0.008032 0.085629 )
( 0.230039 -0.657487 0.086005 0.000000 0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.5000 0.0000
**************************************************************************
freq ( 1) = 27.315740 [THz] = 911.155005 [cm-1]
( -0.197859 -0.000000 -0.459186 0.459186 -0.000000 0.197859 )
( -0.000000 0.197859 -0.459186 0.459186 -0.197859 0.000000 )
freq ( 2) = 27.315740 [THz] = 911.155005 [cm-1]
( -0.197859 -0.000000 0.459186 -0.459186 -0.000000 0.197859 )
( 0.000000 -0.197859 -0.459186 0.459186 0.197859 0.000000 )
freq ( 3) = 31.225732 [THz] = 1041.578317 [cm-1]
( -0.500000 0.000000 -0.000000 -0.000000 -0.000000 -0.500000 )
( 0.000000 0.500000 0.000000 0.000000 0.500000 0.000000 )
freq ( 4) = 31.225733 [THz] = 1041.578325 [cm-1]
( 0.500000 -0.000000 0.000000 0.000000 -0.000000 0.500000 )
( -0.000000 0.500000 0.000000 0.000000 0.500000 0.000000 )
freq ( 5) = 35.941029 [THz] = 1198.863691 [cm-1]
( 0.459186 0.000000 0.197859 -0.197859 0.000000 -0.459186 )
( 0.000000 0.459186 -0.197859 0.197859 -0.459186 0.000000 )
freq ( 6) = 35.941029 [THz] = 1198.863691 [cm-1]
( -0.459186 -0.000000 0.197859 -0.197859 -0.000000 0.459186 )
( -0.000000 0.459186 0.197859 -0.197859 -0.459186 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.0000 -1.0000
**************************************************************************
freq ( 1) = 24.442448 [THz] = 815.312306 [cm-1]
( 0.500000 0.000000 -0.500000 -0.000000 -0.000000 0.000000 )
( -0.500000 -0.000000 0.500000 0.000000 0.000000 0.000000 )
freq ( 2) = 24.442448 [THz] = 815.312307 [cm-1]
( -0.500000 0.000000 -0.500000 0.000000 -0.000000 -0.000000 )
( -0.500000 0.000000 -0.500000 0.000000 -0.000000 0.000000 )
freq ( 3) = 32.545918 [THz] = 1085.614961 [cm-1]
( -0.500000 0.000000 -0.500000 0.000000 0.000000 0.000000 )
( 0.500000 -0.000000 0.500000 -0.000000 -0.000000 0.000000 )
freq ( 4) = 32.545918 [THz] = 1085.614962 [cm-1]
( 0.500000 -0.000000 -0.500000 0.000000 0.000000 -0.000000 )
( 0.500000 -0.000000 -0.500000 0.000000 0.000000 0.000000 )
freq ( 5) = 36.813053 [THz] = 1227.951271 [cm-1]
( 0.000000 -0.000000 0.000000 -0.000000 0.707107 -0.000000 )
( -0.000000 0.000000 -0.000000 0.000000 -0.707107 0.000000 )
freq ( 6) = 36.813053 [THz] = 1227.951276 [cm-1]
( -0.000000 -0.000000 -0.000000 -0.000000 0.707107 -0.000000 )
( -0.000000 0.000000 -0.000000 0.000000 0.707107 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.2500 0.2500 -1.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283094 [cm-1]
( 0.398328 -0.302216 0.398328 -0.302216 -0.000000 0.000000 )
( 0.481292 -0.135493 0.481292 -0.135493 -0.000000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640639 [cm-1]
( -0.203187 0.364792 0.203187 -0.364792 -0.203186 0.331660 )
( -0.417204 -0.017307 0.417204 0.017307 -0.388951 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203560 [cm-1]
( 0.023700 -0.318025 -0.023700 0.318025 -0.477864 0.261233 )
( 0.173343 0.267682 -0.173343 -0.267682 -0.544607 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678792 [cm-1]
( -0.251528 0.432127 -0.251528 0.432127 0.000000 0.000000 )
( 0.392212 -0.310112 0.392212 -0.310112 0.000000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( -0.311353 -0.345836 0.311353 0.345836 0.257793 0.021362 )
( -0.338850 0.318942 0.338850 -0.318942 0.258676 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( 0.020697 0.083477 -0.020697 -0.083477 -0.582805 0.381504 )
( 0.028403 0.081179 -0.028403 -0.081179 0.696568 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.5000 -0.5000
**************************************************************************
freq ( 1) = 17.028048 [THz] = 567.994538 [cm-1]
( -0.000000 0.000000 -0.500000 -0.000000 0.500000 0.000000 )
( -0.000000 0.000000 -0.500000 0.000000 0.500000 0.000000 )
freq ( 2) = 17.028048 [THz] = 567.994541 [cm-1]
( 0.577350 0.000000 0.288675 0.000000 0.288675 0.000000 )
( 0.577350 -0.000000 0.288675 -0.000000 0.288675 0.000000 )
freq ( 3) = 31.900796 [THz] = 1064.096013 [cm-1]
( -0.408248 -0.000000 0.408248 0.000000 0.408248 0.000000 )
( -0.408248 -0.000000 0.408248 -0.000000 0.408248 0.000000 )
freq ( 4) = 37.001544 [THz] = 1234.238663 [cm-1]
( -0.577350 -0.000000 -0.288675 -0.000000 -0.288675 -0.000000 )
( 0.577350 0.000000 0.288675 0.000000 0.288675 0.000000 )
freq ( 5) = 37.001544 [THz] = 1234.238664 [cm-1]
( -0.000000 -0.000000 -0.500000 -0.000000 0.500000 0.000000 )
( 0.000000 0.000000 0.500000 0.000000 -0.500000 0.000000 )
freq ( 6) = 38.855614 [THz] = 1296.083761 [cm-1]
( 0.408248 0.000000 -0.408248 -0.000000 -0.408248 -0.000000 )
( -0.408248 -0.000000 0.408248 0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 -0.2500 -0.7500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283094 [cm-1]
( 0.398328 0.302216 0.398328 0.302216 -0.000000 -0.000000 )
( 0.481291 0.135494 0.481291 0.135494 -0.000000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640639 [cm-1]
( -0.203187 -0.364792 0.203187 0.364792 -0.203186 -0.331660 )
( -0.417204 0.017307 0.417204 -0.017307 -0.388951 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203560 [cm-1]
( 0.023700 0.318025 -0.023700 -0.318025 -0.477864 -0.261233 )
( 0.173343 -0.267682 -0.173343 0.267682 -0.544607 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678792 [cm-1]
( -0.251529 -0.432127 -0.251529 -0.432127 0.000000 -0.000000 )
( 0.392212 0.310112 0.392212 0.310112 0.000000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( -0.311353 0.345836 0.311353 -0.345836 0.257793 -0.021362 )
( -0.338850 -0.318942 0.338850 0.318942 0.258676 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( 0.020697 -0.083477 -0.020697 0.083477 -0.582805 -0.381504 )
( 0.028403 -0.081179 -0.028403 0.081179 0.696568 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 0.2500 -0.7500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283088 [cm-1]
( -0.054487 -0.497022 0.054487 0.497022 -0.000000 -0.000000 )
( -0.482488 -0.131169 0.482488 0.131169 -0.000000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640646 [cm-1]
( -0.364792 -0.203187 -0.364792 -0.203187 -0.331660 -0.203186 )
( -0.417204 -0.017308 -0.417204 -0.017308 -0.388951 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203553 [cm-1]
( 0.318025 0.023700 0.318025 0.023700 -0.261233 -0.477864 )
( 0.173343 0.267682 0.173343 0.267682 -0.544607 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678795 [cm-1]
( 0.498235 0.041975 -0.498235 -0.041975 -0.000000 0.000000 )
( -0.221384 0.448318 0.221384 -0.448318 0.000000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.345836 -0.311353 0.345836 -0.311353 -0.021362 0.257793 )
( -0.338850 0.318942 -0.338850 0.318942 0.258676 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( 0.083477 -0.020697 0.083477 -0.020697 0.381504 0.582805 )
( -0.028403 -0.081179 -0.028403 -0.081179 -0.696568 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.5000 -1.0000
**************************************************************************
freq ( 1) = 27.315740 [THz] = 911.155005 [cm-1]
( -0.197859 -0.000000 -0.459186 -0.459186 0.000000 -0.197859 )
( -0.000000 -0.197859 -0.459186 -0.459186 -0.197859 0.000000 )
freq ( 2) = 27.315740 [THz] = 911.155005 [cm-1]
( -0.197859 -0.000000 0.459186 0.459186 0.000000 -0.197859 )
( 0.000000 0.197859 -0.459186 -0.459186 0.197859 0.000000 )
freq ( 3) = 31.225732 [THz] = 1041.578317 [cm-1]
( -0.500000 0.000000 -0.000000 0.000000 0.000000 0.500000 )
( 0.000000 -0.500000 0.000000 -0.000000 0.500000 0.000000 )
freq ( 4) = 31.225733 [THz] = 1041.578325 [cm-1]
( 0.500000 -0.000000 0.000000 -0.000000 -0.000000 -0.500000 )
( -0.000000 -0.500000 0.000000 -0.000000 0.500000 0.000000 )
freq ( 5) = 35.941029 [THz] = 1198.863691 [cm-1]
( 0.459186 -0.000000 0.197859 0.197859 0.000000 0.459186 )
( 0.000000 -0.459186 -0.197859 -0.197859 -0.459186 0.000000 )
freq ( 6) = 35.941029 [THz] = 1198.863691 [cm-1]
( -0.459186 0.000000 0.197859 0.197859 -0.000000 -0.459186 )
( -0.000000 -0.459186 0.197859 0.197859 -0.459186 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7500 -0.2500 -0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283088 [cm-1]
( -0.000000 0.000000 -0.182967 0.465321 0.182967 -0.465321 )
( -0.000000 -0.000000 -0.500000 0.000000 0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640646 [cm-1]
( 0.339797 -0.189265 0.372901 -0.187892 0.372901 -0.187892 )
( 0.388617 0.016122 0.417562 -0.000000 0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203553 [cm-1]
( 0.543101 -0.040473 -0.192757 -0.254060 -0.192757 -0.254060 )
( 0.296024 0.457129 -0.318907 -0.000000 -0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678795 [cm-1]
( 0.000000 0.000000 0.182967 -0.465321 -0.182967 0.465321 )
( -0.000000 0.000000 -0.500000 -0.000000 0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.192245 0.173076 -0.465228 0.010315 -0.465228 0.010315 )
( -0.188361 0.177295 0.465342 0.000000 0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.676096 -0.167631 -0.008032 -0.085629 -0.008032 -0.085629 )
( 0.230039 0.657487 0.086005 -0.000000 0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 0.0000 -0.5000
**************************************************************************
freq ( 1) = 18.354960 [THz] = 612.255561 [cm-1]
( 0.500000 0.000000 0.000000 -0.000000 0.500000 -0.000000 )
( 0.500000 -0.000000 0.000000 0.000000 0.500000 0.000000 )
freq ( 2) = 23.228240 [THz] = 774.810684 [cm-1]
( 0.033575 -0.000000 -0.000000 0.705511 -0.033575 -0.000000 )
( -0.033575 -0.000000 -0.000000 0.705511 0.033575 0.000000 )
freq ( 3) = 27.180543 [THz] = 906.645317 [cm-1]
( -0.472984 0.000000 0.000000 0.229288 0.472984 -0.000000 )
( -0.472984 0.000000 -0.000000 -0.229288 0.472984 0.000000 )
freq ( 4) = 36.319299 [THz] = 1211.481427 [cm-1]
( 0.500000 0.000000 -0.000000 0.000000 0.500000 -0.000000 )
( -0.500000 0.000000 0.000000 -0.000000 -0.500000 0.000000 )
freq ( 5) = 37.536758 [THz] = 1252.091456 [cm-1]
( -0.498871 -0.000000 0.000000 0.047482 0.498871 -0.000000 )
( 0.498871 -0.000000 0.000000 0.047482 -0.498871 0.000000 )
freq ( 6) = 38.233790 [THz] = 1275.341968 [cm-1]
( 0.162131 0.000000 0.000000 0.668900 -0.162131 0.000000 )
( 0.162131 -0.000000 -0.000000 -0.668900 -0.162131 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 0.2500 -0.2500
**************************************************************************
freq ( 1) = 12.190474 [THz] = 406.630448 [cm-1]
( 0.283159 -0.056162 0.283159 -0.056162 0.566318 -0.112325 )
( 0.288675 -0.000000 0.288675 0.000000 0.577350 0.000000 )
freq ( 2) = 12.190474 [THz] = 406.630450 [cm-1]
( -0.414909 0.279017 0.414909 -0.279017 0.000000 -0.000000 )
( -0.461265 0.192964 0.461265 -0.192964 0.000000 0.000000 )
freq ( 3) = 21.517617 [THz] = 717.750447 [cm-1]
( -0.353688 0.203890 -0.353688 0.203890 0.353688 -0.203890 )
( -0.408248 0.000000 -0.408248 0.000000 0.408248 0.000000 )
freq ( 4) = 38.639132 [THz] = 1288.862717 [cm-1]
( 0.492903 -0.083946 -0.492903 0.083946 0.000000 -0.000000 )
( -0.499816 -0.013554 0.499816 0.013554 -0.000000 0.000000 )
freq ( 5) = 38.639132 [THz] = 1288.862718 [cm-1]
( -0.283159 0.056162 -0.283159 0.056162 -0.566318 0.112325 )
( 0.288675 -0.000000 0.288675 0.000000 0.577350 0.000000 )
freq ( 6) = 40.229138 [THz] = 1341.899601 [cm-1]
( 0.353688 -0.203890 0.353688 -0.203890 -0.353688 0.203890 )
( -0.408248 0.000000 -0.408248 0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.5000 -0.5000
**************************************************************************
freq ( 1) = 18.354960 [THz] = 612.255561 [cm-1]
( 0.000000 -0.000000 0.500000 -0.000000 0.500000 -0.000000 )
( 0.000000 0.000000 0.500000 -0.000000 0.500000 0.000000 )
freq ( 2) = 23.228240 [THz] = 774.810684 [cm-1]
( -0.000000 0.705511 0.033575 -0.000000 -0.033575 -0.000000 )
( -0.000000 0.705511 -0.033575 -0.000000 0.033575 0.000000 )
freq ( 3) = 27.180543 [THz] = 906.645317 [cm-1]
( 0.000000 0.229288 -0.472984 0.000000 0.472984 -0.000000 )
( -0.000000 -0.229288 -0.472984 0.000000 0.472984 0.000000 )
freq ( 4) = 36.319299 [THz] = 1211.481427 [cm-1]
( -0.000000 0.000000 0.500000 -0.000000 0.500000 -0.000000 )
( 0.000000 0.000000 -0.500000 0.000000 -0.500000 0.000000 )
freq ( 5) = 37.536758 [THz] = 1252.091456 [cm-1]
( 0.000000 0.047482 -0.498871 0.000000 0.498871 -0.000000 )
( 0.000000 0.047482 0.498871 -0.000000 -0.498871 0.000000 )
freq ( 6) = 38.233790 [THz] = 1275.341968 [cm-1]
( 0.000000 0.668900 0.162131 -0.000000 -0.162131 0.000000 )
( -0.000000 -0.668900 0.162131 -0.000000 -0.162131 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7500 -0.2500 0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283094 [cm-1]
( -0.000000 0.000000 0.465321 -0.182967 0.465321 -0.182967 )
( -0.000000 -0.000000 0.500000 0.000000 0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640639 [cm-1]
( -0.189265 0.339797 -0.187892 0.372901 0.187892 -0.372901 )
( -0.388617 0.016122 -0.417562 0.000000 0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203560 [cm-1]
( -0.040473 0.543101 -0.254060 -0.192757 0.254060 0.192757 )
( -0.296024 0.457129 0.318907 0.000000 -0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678792 [cm-1]
( -0.000000 0.000000 -0.465321 0.182967 -0.465321 0.182967 )
( 0.000000 0.000000 0.500000 -0.000000 0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.173076 0.192245 0.010315 -0.465228 -0.010315 0.465228 )
( 0.188361 0.177295 -0.465342 0.000000 0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.167630 -0.676096 -0.085629 -0.008032 0.085629 0.008032 )
( -0.230039 0.657486 -0.086005 -0.000000 0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 0.0000 0.0000
**************************************************************************
freq ( 1) = 16.034554 [THz] = 534.855142 [cm-1]
( -0.000000 -0.000000 -0.237826 0.439817 0.237826 -0.439817 )
( -0.000000 -0.000000 -0.500000 -0.000000 0.500000 0.000000 )
freq ( 2) = 16.034554 [THz] = 534.855147 [cm-1]
( -0.000000 0.000000 -0.439817 0.237826 -0.439817 0.237826 )
( -0.000000 0.000000 -0.500000 -0.000000 -0.500000 0.000000 )
freq ( 3) = 23.072896 [THz] = 769.628960 [cm-1]
( -0.432195 0.559650 0.000000 -0.000000 0.000000 -0.000000 )
( -0.701340 0.090124 0.000000 -0.000000 0.000000 0.000000 )
freq ( 4) = 37.402124 [THz] = 1247.600550 [cm-1]
( 0.000000 -0.000000 -0.439817 0.237826 -0.439817 0.237826 )
( -0.000000 -0.000000 0.500000 0.000000 0.500000 0.000000 )
freq ( 5) = 37.402124 [THz] = 1247.600552 [cm-1]
( -0.000000 0.000000 -0.237826 0.439817 0.237826 -0.439817 )
( 0.000000 -0.000000 0.500000 0.000000 -0.500000 0.000000 )
freq ( 6) = 40.733389 [THz] = 1358.719598 [cm-1]
( -0.627668 0.325627 -0.000000 0.000000 -0.000000 0.000000 )
( 0.674081 0.213575 0.000000 -0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 0.5000 0.0000
**************************************************************************
freq ( 1) = 18.354960 [THz] = 612.255560 [cm-1]
( -0.210107 0.453713 0.210107 -0.453713 0.000000 0.000000 )
( -0.453713 -0.210107 0.453713 0.210107 -0.000000 0.000000 )
freq ( 2) = 23.228240 [THz] = 774.810683 [cm-1]
( 0.033575 0.000000 0.033575 0.000000 -0.000000 -0.705511 )
( -0.000000 -0.033575 -0.000000 -0.033575 0.705511 0.000000 )
freq ( 3) = 27.180543 [THz] = 906.645326 [cm-1]
( 0.472984 -0.000000 0.472984 -0.000000 0.000000 0.229288 )
( 0.000000 0.472984 0.000000 0.472984 0.229288 0.000000 )
freq ( 4) = 36.319299 [THz] = 1211.481427 [cm-1]
( -0.078235 -0.493841 0.078235 0.493841 0.000000 0.000000 )
( -0.493841 0.078235 0.493841 -0.078235 0.000000 0.000000 )
freq ( 5) = 37.536757 [THz] = 1252.091450 [cm-1]
( -0.498871 0.000000 -0.498871 0.000000 -0.000000 -0.047482 )
( 0.000000 0.498871 0.000000 0.498871 0.047482 0.000000 )
freq ( 6) = 38.233790 [THz] = 1275.341968 [cm-1]
( -0.162131 -0.000000 -0.162131 -0.000000 0.000000 0.668900 )
( -0.000000 -0.162131 -0.000000 -0.162131 0.668900 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 0.7500 -0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283094 [cm-1]
( 0.465321 -0.182967 -0.000000 0.000000 0.465321 -0.182967 )
( 0.500000 -0.000000 -0.000000 -0.000000 0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640639 [cm-1]
( -0.187892 0.372901 0.189265 -0.339797 0.187892 -0.372901 )
( -0.417562 -0.000000 0.388617 -0.016122 0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203560 [cm-1]
( -0.254060 -0.192757 0.040473 -0.543101 0.254060 0.192757 )
( 0.318907 -0.000000 0.296024 -0.457129 -0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678792 [cm-1]
( -0.465321 0.182967 -0.000000 0.000000 -0.465321 0.182967 )
( 0.500000 0.000000 0.000000 0.000000 0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.010315 -0.465228 -0.173076 -0.192245 -0.010315 0.465228 )
( -0.465342 -0.000000 -0.188361 -0.177295 0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.085629 -0.008032 0.167630 0.676096 0.085629 0.008032 )
( -0.086005 0.000000 0.230039 -0.657486 0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.0000 0.5000
**************************************************************************
freq ( 1) = 27.315740 [THz] = 911.155005 [cm-1]
( 0.139907 0.139907 0.139907 -0.139907 0.649387 -0.000000 )
( 0.139907 -0.139907 0.139907 0.139907 0.649387 0.000000 )
freq ( 2) = 27.315740 [THz] = 911.155005 [cm-1]
( -0.139907 -0.139907 -0.139907 0.139907 0.649387 -0.000000 )
( 0.139907 -0.139907 0.139907 0.139907 -0.649387 0.000000 )
freq ( 3) = 31.225732 [THz] = 1041.578317 [cm-1]
( -0.353553 0.353553 -0.353553 -0.353553 -0.000000 0.000000 )
( 0.353553 0.353553 0.353553 -0.353553 0.000000 0.000000 )
freq ( 4) = 31.225733 [THz] = 1041.578325 [cm-1]
( 0.353553 -0.353553 0.353553 0.353553 0.000000 0.000000 )
( 0.353553 0.353553 0.353553 -0.353553 0.000000 0.000000 )
freq ( 5) = 35.941029 [THz] = 1198.863691 [cm-1]
( 0.324694 0.324694 0.324694 -0.324694 0.279815 -0.000000 )
( -0.324694 0.324694 -0.324694 -0.324694 -0.279815 0.000000 )
freq ( 6) = 35.941029 [THz] = 1198.863691 [cm-1]
( -0.324694 -0.324694 -0.324694 0.324694 0.279815 -0.000000 )
( -0.324693 0.324694 -0.324694 -0.324693 0.279815 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.7500 0.2500 0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283088 [cm-1]
( 0.000000 -0.000000 -0.465321 -0.182967 0.465321 0.182967 )
( 0.000000 -0.000000 0.500000 -0.000000 -0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640643 [cm-1]
( -0.189265 -0.339797 0.187892 0.372901 0.187892 0.372901 )
( 0.388617 0.016122 -0.417562 0.000000 -0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203556 [cm-1]
( -0.040473 -0.543101 0.254060 -0.192757 0.254060 -0.192757 )
( 0.296024 0.457129 0.318907 -0.000000 0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678795 [cm-1]
( 0.000000 0.000000 -0.465321 -0.182967 0.465321 0.182967 )
( -0.000000 -0.000000 -0.500000 -0.000000 0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864372 [cm-1]
( 0.173076 -0.192245 -0.010315 -0.465228 -0.010315 -0.465228 )
( -0.188361 0.177295 -0.465342 -0.000000 -0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.167630 0.676096 0.085629 -0.008032 0.085629 -0.008032 )
( 0.230039 0.657486 -0.086005 0.000000 -0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.2500 -0.2500 -0.7500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283088 [cm-1]
( -0.316338 0.387209 0.316338 -0.387209 0.000000 -0.000000 )
( 0.436089 -0.244594 -0.436089 0.244594 -0.000000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640643 [cm-1]
( 0.203187 -0.364792 0.203187 -0.364792 -0.203186 0.331660 )
( -0.417204 -0.017308 -0.417204 -0.017308 0.388951 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203556 [cm-1]
( -0.023700 0.318025 -0.023700 0.318025 -0.477864 0.261233 )
( 0.173343 0.267682 0.173343 0.267682 0.544607 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678795 [cm-1]
( -0.488338 0.107361 0.488338 -0.107361 0.000000 0.000000 )
( -0.493754 -0.078785 0.493754 0.078785 -0.000000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864372 [cm-1]
( 0.311353 0.345836 0.311353 0.345836 0.257793 0.021362 )
( -0.338850 0.318942 -0.338850 0.318942 -0.258676 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.020697 -0.083477 -0.020697 -0.083477 -0.582805 0.381504 )
( 0.028403 0.081179 0.028403 0.081179 -0.696568 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.5000 0.0000 -1.0000
**************************************************************************
freq ( 1) = 27.315740 [THz] = 911.155005 [cm-1]
( -0.459186 0.459186 -0.197859 -0.000000 -0.000000 0.197859 )
( -0.459186 0.459186 -0.000000 0.197859 -0.197859 0.000000 )
freq ( 2) = 27.315740 [THz] = 911.155005 [cm-1]
( 0.459186 -0.459186 -0.197859 -0.000000 -0.000000 0.197859 )
( -0.459186 0.459186 0.000000 -0.197859 0.197859 0.000000 )
freq ( 3) = 31.225732 [THz] = 1041.578317 [cm-1]
( -0.000000 -0.000000 -0.500000 0.000000 -0.000000 -0.500000 )
( 0.000000 0.000000 0.000000 0.500000 0.500000 0.000000 )
freq ( 4) = 31.225733 [THz] = 1041.578325 [cm-1]
( 0.000000 0.000000 0.500000 -0.000000 -0.000000 0.500000 )
( 0.000000 0.000000 -0.000000 0.500000 0.500000 0.000000 )
freq ( 5) = 35.941029 [THz] = 1198.863691 [cm-1]
( -0.197859 0.197859 -0.459186 -0.000000 -0.000000 0.459186 )
( 0.197859 -0.197859 -0.000000 -0.459186 0.459186 0.000000 )
freq ( 6) = 35.941029 [THz] = 1198.863691 [cm-1]
( -0.197859 0.197859 0.459186 0.000000 0.000000 -0.459186 )
( -0.197859 0.197859 0.000000 -0.459186 0.459186 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 -0.7500 -0.2500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283094 [cm-1]
( 0.465321 0.182967 -0.000000 -0.000000 0.465321 0.182967 )
( 0.500000 -0.000000 -0.000000 0.000000 0.500000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640639 [cm-1]
( -0.187892 -0.372901 -0.189265 -0.339797 0.187892 0.372901 )
( -0.417562 -0.000000 -0.388617 -0.016122 0.417562 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203560 [cm-1]
( -0.254060 0.192757 -0.040473 -0.543101 0.254060 -0.192757 )
( 0.318907 -0.000000 -0.296024 -0.457129 -0.318907 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678792 [cm-1]
( -0.465321 -0.182967 -0.000000 -0.000000 -0.465321 -0.182967 )
( 0.500000 0.000000 0.000000 -0.000000 0.500000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( 0.010315 0.465228 0.173076 -0.192245 -0.010315 -0.465228 )
( -0.465342 -0.000000 0.188361 -0.177295 0.465342 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.085629 0.008032 -0.167630 0.676096 0.085629 -0.008032 )
( -0.086005 0.000000 -0.230039 -0.657486 0.086005 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 -0.5000 -0.5000
**************************************************************************
freq ( 1) = 18.354960 [THz] = 612.255560 [cm-1]
( -0.000000 -0.000000 0.000000 -0.500000 -0.000000 0.500000 )
( -0.000000 0.000000 -0.500000 -0.000000 0.500000 0.000000 )
freq ( 2) = 23.228240 [THz] = 774.810683 [cm-1]
( 0.705511 -0.000000 -0.000000 -0.033575 -0.000000 -0.033575 )
( -0.000000 -0.705511 0.033575 0.000000 0.033575 0.000000 )
freq ( 3) = 27.180543 [THz] = 906.645326 [cm-1]
( 0.229288 0.000000 0.000000 0.472984 0.000000 0.472984 )
( 0.000000 0.229288 0.472984 0.000000 0.472984 0.000000 )
freq ( 4) = 36.319299 [THz] = 1211.481427 [cm-1]
( -0.000000 -0.000000 0.000000 -0.500000 -0.000000 0.500000 )
( 0.000000 -0.000000 0.500000 -0.000000 -0.500000 0.000000 )
freq ( 5) = 37.536757 [THz] = 1252.091450 [cm-1]
( -0.047482 -0.000000 -0.000000 -0.498871 -0.000000 -0.498871 )
( 0.000000 0.047482 0.498871 -0.000000 0.498871 0.000000 )
freq ( 6) = 38.233790 [THz] = 1275.341968 [cm-1]
( -0.668900 0.000000 0.000000 0.162131 0.000000 0.162131 )
( -0.000000 -0.668900 0.162131 0.000000 0.162131 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.0000 -0.5000
**************************************************************************
freq ( 1) = 16.034554 [THz] = 534.855142 [cm-1]
( -0.499987 -0.003604 0.499987 0.003604 0.000000 0.000000 )
( -0.240989 0.438091 0.240989 -0.438091 0.000000 0.000000 )
freq ( 2) = 16.034554 [THz] = 534.855147 [cm-1]
( 0.445913 0.226188 0.445913 0.226188 0.000000 0.000000 )
( 0.499827 -0.013136 0.499827 -0.013136 0.000000 0.000000 )
freq ( 3) = 23.072896 [THz] = 769.628960 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 -0.500000 -0.500000 )
( 0.000000 -0.000000 0.000000 -0.000000 -0.707107 0.000000 )
freq ( 4) = 37.402124 [THz] = 1247.600550 [cm-1]
( 0.311178 0.391367 0.311178 0.391367 -0.000000 -0.000000 )
( -0.459877 -0.196248 -0.459877 -0.196248 0.000000 0.000000 )
freq ( 5) = 37.402124 [THz] = 1247.600552 [cm-1]
( -0.498975 0.031993 0.498975 -0.031993 -0.000000 -0.000000 )
( 0.209196 -0.454133 -0.209196 0.454133 0.000000 0.000000 )
freq ( 6) = 40.733389 [THz] = 1358.719598 [cm-1]
( -0.000000 -0.000000 -0.000000 -0.000000 -0.500000 -0.500000 )
( 0.000000 0.000000 0.000000 0.000000 0.707107 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.2500 0.2500 -0.7500
**************************************************************************
freq ( 1) = 20.904021 [THz] = 697.283094 [cm-1]
( 0.398328 0.302216 0.398328 0.302216 -0.000000 -0.000000 )
( 0.481292 0.135494 0.481291 0.135494 -0.000000 0.000000 )
freq ( 2) = 24.542229 [THz] = 818.640639 [cm-1]
( 0.203187 0.364792 -0.203187 -0.364792 -0.203186 -0.331660 )
( 0.417204 -0.017307 -0.417204 0.017307 -0.388951 0.000000 )
freq ( 3) = 30.345099 [THz] = 1012.203560 [cm-1]
( 0.023700 0.318025 -0.023700 -0.318025 0.477864 0.261233 )
( 0.173343 -0.267682 -0.173343 0.267682 0.544607 0.000000 )
freq ( 4) = 34.976150 [THz] = 1166.678792 [cm-1]
( -0.251528 -0.432127 -0.251528 -0.432127 0.000000 -0.000000 )
( 0.392212 0.310112 0.392212 0.310112 0.000000 0.000000 )
freq ( 5) = 35.641257 [THz] = 1188.864371 [cm-1]
( -0.311353 0.345836 0.311353 -0.345836 -0.257793 0.021362 )
( -0.338850 -0.318942 0.338850 0.318942 -0.258676 0.000000 )
freq ( 6) = 38.358011 [THz] = 1279.485524 [cm-1]
( -0.020697 0.083477 0.020697 -0.083477 -0.582805 -0.381504 )
( -0.028403 0.081179 0.028403 -0.081179 0.696568 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.5000 0.0000
**************************************************************************
freq ( 1) = 18.354960 [THz] = 612.255561 [cm-1]
( 0.500000 0.000000 0.500000 0.000000 0.000000 -0.000000 )
( 0.500000 0.000000 0.500000 0.000000 0.000000 0.000000 )
freq ( 2) = 23.228240 [THz] = 774.810684 [cm-1]
( 0.000000 0.033575 0.000000 -0.033575 -0.705511 0.000000 )
( 0.000000 -0.033575 0.000000 0.033575 -0.705511 0.000000 )
freq ( 3) = 27.180543 [THz] = 906.645317 [cm-1]
( -0.000000 0.472984 -0.000000 -0.472984 0.229288 -0.000000 )
( 0.000000 0.472984 0.000000 -0.472984 -0.229288 0.000000 )
freq ( 4) = 36.319299 [THz] = 1211.481427 [cm-1]
( 0.500000 0.000000 0.500000 0.000000 -0.000000 -0.000000 )
( -0.500000 -0.000000 -0.500000 -0.000000 0.000000 0.000000 )
freq ( 5) = 37.536758 [THz] = 1252.091456 [cm-1]
( -0.000000 0.498871 -0.000000 -0.498871 0.047482 -0.000000 )
( -0.000000 -0.498871 -0.000000 0.498871 0.047482 0.000000 )
freq ( 6) = 38.233790 [THz] = 1275.341968 [cm-1]
( 0.000000 -0.162131 0.000000 0.162131 0.668900 -0.000000 )
( -0.000000 -0.162131 -0.000000 0.162131 -0.668900 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.2500 -0.2500 -0.2500
**************************************************************************
freq ( 1) = 12.190474 [THz] = 406.630448 [cm-1]
( 0.566318 0.112325 0.283159 0.056162 0.283159 0.056162 )
( 0.577350 0.000000 0.288675 0.000000 0.288675 0.000000 )
freq ( 2) = 12.190474 [THz] = 406.630450 [cm-1]
( 0.000000 -0.000000 -0.490446 -0.097276 0.490446 0.097276 )
( 0.000000 -0.000000 -0.500000 -0.000000 0.500000 0.000000 )
freq ( 3) = 21.517617 [THz] = 717.750447 [cm-1]
( 0.353688 0.203890 -0.353688 -0.203890 -0.353688 -0.203890 )
( 0.408248 -0.000000 -0.408248 0.000000 -0.408248 0.000000 )
freq ( 4) = 38.639132 [THz] = 1288.862717 [cm-1]
( 0.000000 -0.000000 0.490446 0.097276 -0.490446 -0.097276 )
( -0.000000 0.000000 -0.500000 0.000000 0.500000 0.000000 )
freq ( 5) = 38.639132 [THz] = 1288.862718 [cm-1]
( 0.566318 0.112325 0.283159 0.056162 0.283159 0.056162 )
( -0.577350 0.000000 -0.288675 0.000000 -0.288675 0.000000 )
freq ( 6) = 40.229138 [THz] = 1341.899601 [cm-1]
( 0.353688 0.203890 -0.353688 -0.203890 -0.353688 -0.203890 )
( -0.408248 0.000000 0.408248 0.000000 0.408248 0.000000 )
**************************************************************************
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