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

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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 = -0.3333 0.3333 -0.3333
**************************************************************************
freq ( 1) = 14.840526 [THz] = 495.026671 [cm-1]
( -0.492094 -0.088537 0.000005 0.000028 0.492099 0.088566 )
( -0.499995 0.000027 0.000010 0.000027 0.500005 0.000000 )
freq ( 2) = 14.840526 [THz] = 495.026671 [cm-1]
( 0.284127 0.051088 0.568229 0.102220 0.284102 0.051131 )
( 0.288684 -0.000047 0.577350 -0.000047 0.288666 0.000000 )
freq ( 3) = 26.758273 [THz] = 892.559905 [cm-1]
( 0.342258 0.222545 -0.342258 -0.222545 0.342258 0.222545 )
( 0.408248 -0.000000 -0.408248 0.000000 0.408248 0.000000 )
freq ( 4) = 37.841893 [THz] = 1262.269686 [cm-1]
( -0.284343 -0.051175 -0.568221 -0.102266 -0.283878 -0.051091 )
( 0.288912 0.000000 0.577350 0.000000 0.288439 0.000000 )
freq ( 5) = 37.841893 [THz] = 1262.269686 [cm-1]
( -0.491959 -0.088541 0.000269 0.000048 0.492228 0.088589 )
( 0.499863 0.000000 -0.000273 0.000000 -0.500137 0.000000 )
freq ( 6) = 39.896458 [THz] = 1330.802599 [cm-1]
( 0.342258 0.222545 -0.342258 -0.222545 0.342258 0.222545 )
( -0.408248 0.000000 0.408248 -0.000000 -0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3333 -0.3333 0.3333
**************************************************************************
freq ( 1) = 14.840526 [THz] = 495.026671 [cm-1]
( -0.492094 0.088537 0.000005 -0.000028 0.492099 -0.088566 )
( -0.499995 -0.000027 0.000010 -0.000027 0.500005 0.000000 )
freq ( 2) = 14.840526 [THz] = 495.026671 [cm-1]
( 0.284127 -0.051088 0.568229 -0.102220 0.284102 -0.051131 )
( 0.288684 0.000047 0.577350 0.000047 0.288666 0.000000 )
freq ( 3) = 26.758273 [THz] = 892.559905 [cm-1]
( 0.342258 -0.222545 -0.342258 0.222545 0.342258 -0.222545 )
( 0.408248 0.000000 -0.408248 -0.000000 0.408248 0.000000 )
freq ( 4) = 37.841893 [THz] = 1262.269686 [cm-1]
( -0.284343 0.051175 -0.568221 0.102266 -0.283878 0.051091 )
( 0.288912 -0.000000 0.577350 -0.000000 0.288439 0.000000 )
freq ( 5) = 37.841893 [THz] = 1262.269686 [cm-1]
( -0.491959 0.088541 0.000269 -0.000048 0.492228 -0.088589 )
( 0.499863 -0.000000 -0.000273 -0.000000 -0.500137 0.000000 )
freq ( 6) = 39.896458 [THz] = 1330.802599 [cm-1]
( 0.342258 -0.222545 -0.342258 0.222545 0.342258 -0.222545 )
( -0.408248 -0.000000 0.408248 0.000000 -0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3333 0.3333 0.3333
**************************************************************************
freq ( 1) = 14.840526 [THz] = 495.026672 [cm-1]
( -0.075568 -0.171958 -0.116287 -0.361014 0.191854 0.532971 )
( 0.187389 -0.012860 0.379062 0.012860 -0.566451 0.000000 )
freq ( 2) = 14.840526 [THz] = 495.026672 [cm-1]
( -0.122197 -0.532091 0.084380 0.427036 0.037817 0.105055 )
( 0.542030 0.065242 -0.430376 -0.065242 -0.111655 0.000000 )
freq ( 3) = 26.758273 [THz] = 892.559910 [cm-1]
( -0.021600 0.407676 -0.021600 0.407676 -0.021600 0.407676 )
( -0.408248 -0.000000 -0.408248 -0.000000 -0.408248 0.000000 )
freq ( 4) = 37.841893 [THz] = 1262.269686 [cm-1]
( 0.181795 0.166252 -0.296797 -0.485728 0.115002 0.319477 )
( 0.217998 -0.114741 -0.557544 0.114741 0.339545 0.000000 )
freq ( 5) = 37.841893 [THz] = 1262.269686 [cm-1]
( 0.253082 0.456721 -0.094928 -0.017369 -0.158154 -0.439352 )
( 0.515445 -0.083435 -0.048495 0.083435 -0.466950 0.000000 )
freq ( 6) = 39.896458 [THz] = 1330.802596 [cm-1]
( -0.021600 0.407676 -0.021600 0.407676 -0.021600 0.407676 )
( 0.408248 0.000000 0.408248 0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.6667 0.0000
**************************************************************************
freq ( 1) = 20.096095 [THz] = 670.333584 [cm-1]
( -0.017845 0.499681 0.000000 -0.000000 0.017845 -0.499681 )
( -0.500000 0.000000 0.000000 0.000000 0.500000 0.000000 )
freq ( 2) = 20.096095 [THz] = 670.333590 [cm-1]
( 0.423815 -0.265295 0.000000 -0.000000 0.423815 -0.265295 )
( 0.500000 -0.000000 0.000000 0.000000 0.500000 0.000000 )
freq ( 3) = 28.893064 [THz] = 963.768862 [cm-1]
( -0.000000 -0.000000 0.700900 -0.093486 -0.000000 -0.000000 )
( -0.000000 0.000000 0.431411 0.560254 -0.000000 0.000000 )
freq ( 4) = 35.472866 [THz] = 1183.247446 [cm-1]
( 0.423815 -0.265295 -0.000000 0.000000 0.423815 -0.265295 )
( -0.500000 -0.000000 0.000000 -0.000000 -0.500000 0.000000 )
freq ( 5) = 35.472866 [THz] = 1183.247449 [cm-1]
( 0.017845 -0.499681 0.000000 -0.000000 -0.017845 0.499681 )
( -0.500000 -0.000000 -0.000000 -0.000000 0.500000 0.000000 )
freq ( 6) = 40.301040 [THz] = 1344.297998 [cm-1]
( -0.000000 0.000000 -0.360443 0.608343 -0.000000 0.000000 )
( 0.000000 0.000000 0.707062 0.007981 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6667 -0.0000 0.6667
**************************************************************************
freq ( 1) = 21.891336 [THz] = 730.216361 [cm-1]
( 0.250000 0.433013 0.000000 -0.000000 -0.250000 -0.433013 )
( -0.500000 0.000000 0.000000 0.000000 0.500000 0.000000 )
freq ( 2) = 29.835686 [THz] = 995.211346 [cm-1]
( 0.226501 0.392311 -0.259200 0.149648 0.226501 0.392311 )
( -0.453002 0.000000 0.000001 0.299298 -0.453002 0.000000 )
freq ( 3) = 29.900329 [THz] = 997.367629 [cm-1]
( -0.008630 -0.014947 -0.612000 0.353355 -0.008630 -0.014947 )
( -0.017260 -0.000000 -0.000015 -0.706685 -0.017260 0.000000 )
freq ( 4) = 32.828911 [THz] = 1095.054593 [cm-1]
( -0.249851 -0.432755 0.021139 -0.012204 -0.249851 -0.432755 )
( -0.499702 -0.000000 -0.000000 0.024409 -0.499702 0.000000 )
freq ( 5) = 34.336458 [THz] = 1145.340948 [cm-1]
( -0.250000 -0.433013 -0.000000 -0.000000 0.250000 0.433013 )
( -0.500000 0.000000 -0.000000 0.000000 0.500000 0.000000 )
freq ( 6) = 38.218601 [THz] = 1274.835320 [cm-1]
( -0.105818 -0.183282 -0.554811 0.320320 -0.105818 -0.183282 )
( 0.211635 -0.000000 -0.000000 0.640641 0.211635 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.3333 -0.3333 -0.3333
**************************************************************************
freq ( 1) = 14.840526 [THz] = 495.026672 [cm-1]
( -0.075568 0.171958 -0.116287 0.361014 0.191854 -0.532971 )
( 0.187389 0.012860 0.379062 -0.012860 -0.566451 0.000000 )
freq ( 2) = 14.840526 [THz] = 495.026672 [cm-1]
( -0.122197 0.532091 0.084380 -0.427036 0.037817 -0.105055 )
( 0.542030 -0.065242 -0.430376 0.065242 -0.111655 0.000000 )
freq ( 3) = 26.758273 [THz] = 892.559910 [cm-1]
( -0.021600 -0.407676 -0.021600 -0.407676 -0.021600 -0.407676 )
( -0.408248 0.000000 -0.408248 0.000000 -0.408248 0.000000 )
freq ( 4) = 37.841893 [THz] = 1262.269686 [cm-1]
( 0.181795 -0.166252 -0.296797 0.485728 0.115002 -0.319477 )
( 0.217998 0.114741 -0.557544 -0.114741 0.339545 0.000000 )
freq ( 5) = 37.841893 [THz] = 1262.269686 [cm-1]
( 0.253082 -0.456721 -0.094928 0.017369 -0.158154 0.439352 )
( 0.515445 0.083435 -0.048495 -0.083435 -0.466950 0.000000 )
freq ( 6) = 39.896458 [THz] = 1330.802596 [cm-1]
( -0.021600 -0.407676 -0.021600 -0.407676 -0.021600 -0.407676 )
( 0.408248 -0.000000 0.408248 -0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.6667 -0.0000 -0.6667
**************************************************************************
freq ( 1) = 21.891336 [THz] = 730.216361 [cm-1]
( 0.250000 -0.433013 -0.000000 0.000000 -0.250000 0.433013 )
( -0.500000 -0.000000 0.000000 -0.000000 0.500000 0.000000 )
freq ( 2) = 29.835686 [THz] = 995.211346 [cm-1]
( 0.226501 -0.392311 -0.259200 -0.149648 0.226501 -0.392311 )
( -0.453002 -0.000000 0.000001 -0.299298 -0.453002 0.000000 )
freq ( 3) = 29.900329 [THz] = 997.367629 [cm-1]
( -0.008630 0.014947 -0.612000 -0.353355 -0.008630 0.014947 )
( -0.017260 0.000000 -0.000015 0.706685 -0.017260 0.000000 )
freq ( 4) = 32.828911 [THz] = 1095.054593 [cm-1]
( -0.249851 0.432755 0.021139 0.012204 -0.249851 0.432755 )
( -0.499702 -0.000000 -0.000000 -0.024409 -0.499702 0.000000 )
freq ( 5) = 34.336458 [THz] = 1145.340948 [cm-1]
( -0.250000 0.433013 0.000000 0.000000 0.250000 -0.433013 )
( -0.500000 -0.000000 0.000000 0.000000 0.500000 0.000000 )
freq ( 6) = 38.218601 [THz] = 1274.835320 [cm-1]
( -0.105818 0.183282 -0.554811 -0.320320 -0.105818 0.183282 )
( 0.211635 0.000000 -0.000000 -0.640641 0.211635 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 -0.6667 0.0000
**************************************************************************
freq ( 1) = 20.096095 [THz] = 670.333584 [cm-1]
( -0.017845 -0.499681 0.000000 0.000000 0.017845 0.499681 )
( -0.500000 -0.000000 0.000000 -0.000000 0.500000 0.000000 )
freq ( 2) = 20.096095 [THz] = 670.333590 [cm-1]
( 0.423815 0.265295 0.000000 0.000000 0.423815 0.265295 )
( 0.500000 0.000000 0.000000 -0.000000 0.500000 0.000000 )
freq ( 3) = 28.893064 [THz] = 963.768862 [cm-1]
( -0.000000 0.000000 0.700900 0.093486 -0.000000 0.000000 )
( -0.000000 -0.000000 0.431411 -0.560254 -0.000000 0.000000 )
freq ( 4) = 35.472866 [THz] = 1183.247446 [cm-1]
( 0.423815 0.265295 -0.000000 -0.000000 0.423815 0.265295 )
( -0.500000 0.000000 0.000000 0.000000 -0.500000 0.000000 )
freq ( 5) = 35.472866 [THz] = 1183.247449 [cm-1]
( 0.017845 0.499681 0.000000 0.000000 -0.017845 -0.499681 )
( -0.500000 0.000000 -0.000000 0.000000 0.500000 0.000000 )
freq ( 6) = 40.301040 [THz] = 1344.297998 [cm-1]
( -0.000000 -0.000000 -0.360443 -0.608343 -0.000000 -0.000000 )
( 0.000000 -0.000000 0.707062 -0.007981 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.3333 -0.3333 0.3333
**************************************************************************
freq ( 1) = 14.840526 [THz] = 495.026671 [cm-1]
( 0.478041 0.146512 -0.478063 -0.146516 -0.000023 -0.000004 )
( 0.496433 0.059521 -0.496456 -0.059521 -0.000023 0.000000 )
freq ( 2) = 14.840526 [THz] = 495.026671 [cm-1]
( -0.284130 -0.051139 -0.284091 -0.051127 -0.568221 -0.102266 )
( -0.288695 -0.000002 -0.288655 0.000002 -0.577350 0.000000 )
freq ( 3) = 26.758273 [THz] = 892.559905 [cm-1]
( 0.342258 0.222545 0.342258 0.222545 -0.342258 -0.222545 )
( 0.408248 0.000000 0.408248 0.000000 -0.408248 0.000000 )
freq ( 4) = 37.841893 [THz] = 1262.269686 [cm-1]
( -0.284290 -0.051111 -0.283931 -0.051155 -0.568221 -0.102266 )
( 0.288848 -0.000053 0.288502 0.000053 0.577350 0.000000 )
freq ( 5) = 37.841893 [THz] = 1262.269686 [cm-1]
( -0.496251 0.060289 0.496457 -0.060252 0.000205 0.000037 )
( 0.477726 -0.147236 -0.477934 0.147236 -0.000209 0.000000 )
freq ( 6) = 39.896458 [THz] = 1330.802599 [cm-1]
( 0.342258 0.222545 0.342258 0.222545 -0.342258 -0.222545 )
( -0.408248 -0.000000 -0.408248 -0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.6667 0.0000 0.0000
**************************************************************************
freq ( 1) = 20.096095 [THz] = 670.333584 [cm-1]
( -0.000000 0.000000 0.017845 0.499681 -0.017845 -0.499681 )
( 0.000000 0.000000 0.500000 0.000000 -0.500000 0.000000 )
freq ( 2) = 20.096095 [THz] = 670.333590 [cm-1]
( 0.000000 0.000000 0.423815 0.265295 0.423815 0.265295 )
( 0.000000 -0.000000 0.500000 0.000000 0.500000 0.000000 )
freq ( 3) = 28.893064 [THz] = 963.768862 [cm-1]
( -0.701581 -0.088226 0.000000 -0.000000 0.000000 -0.000000 )
( -0.427196 0.563474 0.000000 -0.000000 0.000000 0.000000 )
freq ( 4) = 35.472866 [THz] = 1183.247446 [cm-1]
( 0.000000 0.000000 -0.423815 -0.265295 -0.423815 -0.265295 )
( -0.000000 -0.000000 0.500000 -0.000000 0.500000 0.000000 )
freq ( 5) = 35.472866 [THz] = 1183.247449 [cm-1]
( -0.000000 -0.000000 -0.017845 -0.499681 0.017845 0.499681 )
( -0.000000 0.000000 0.500000 -0.000000 -0.500000 0.000000 )
freq ( 6) = 40.301040 [THz] = 1344.297998 [cm-1]
( -0.360345 -0.608401 -0.000000 -0.000000 -0.000000 -0.000000 )
( 0.707063 -0.007868 0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 -0.6667 0.6667
**************************************************************************
freq ( 1) = 21.891336 [THz] = 730.216366 [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) = 29.835685 [THz] = 995.211334 [cm-1]
( -0.000000 0.299298 0.453002 -0.000000 -0.453002 -0.000000 )
( 0.000000 -0.299298 0.453002 0.000000 -0.453002 0.000000 )
freq ( 3) = 29.900329 [THz] = 997.367633 [cm-1]
( -0.000000 0.706685 -0.017260 0.000000 0.017260 0.000000 )
( -0.000000 0.706685 0.017260 0.000000 -0.017260 0.000000 )
freq ( 4) = 32.828911 [THz] = 1095.054600 [cm-1]
( 0.000000 -0.024409 -0.499702 0.000000 0.499702 0.000000 )
( 0.000000 -0.024409 0.499702 0.000000 -0.499702 0.000000 )
freq ( 5) = 34.336458 [THz] = 1145.340945 [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) = 38.218601 [THz] = 1274.835319 [cm-1]
( 0.000000 0.640641 -0.211635 0.000000 0.211635 -0.000000 )
( -0.000000 -0.640641 -0.211635 0.000000 0.211635 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.0000 0.6667
**************************************************************************
freq ( 1) = 20.096095 [THz] = 670.333584 [cm-1]
( 0.027761 -0.499229 -0.027761 0.499229 0.000000 -0.000000 )
( 0.499901 0.009927 -0.499901 -0.009927 0.000000 0.000000 )
freq ( 2) = 20.096095 [THz] = 670.333590 [cm-1]
( 0.237501 -0.439992 0.237501 -0.439992 -0.000000 -0.000000 )
( 0.434768 -0.246935 0.434768 -0.246935 0.000000 0.000000 )
freq ( 3) = 28.893064 [THz] = 963.768862 [cm-1]
( 0.000000 -0.000000 0.000000 -0.000000 -0.353553 0.612372 )
( 0.000000 -0.000000 0.000000 -0.000000 -0.707107 0.000000 )
freq ( 4) = 35.472866 [THz] = 1183.247446 [cm-1]
( 0.489709 -0.100920 0.489709 -0.100920 -0.000000 -0.000000 )
( -0.468639 -0.174292 -0.468639 -0.174292 0.000000 0.000000 )
freq ( 5) = 35.472866 [THz] = 1183.247449 [cm-1]
( -0.204475 -0.456279 0.204475 0.456279 -0.000000 -0.000000 )
( -0.448690 0.220629 0.448690 -0.220628 0.000000 0.000000 )
freq ( 6) = 40.301040 [THz] = 1344.297998 [cm-1]
( -0.000000 0.000000 -0.000000 0.000000 -0.353553 0.612372 )
( 0.000000 -0.000000 0.000000 -0.000000 0.707107 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.3333 0.3333 0.3333
**************************************************************************
freq ( 1) = 14.840526 [THz] = 495.026671 [cm-1]
( 0.000064 0.000021 -0.492059 0.088591 0.492123 -0.088570 )
( 0.000059 0.000032 -0.499970 0.000032 0.500029 0.000000 )
freq ( 2) = 14.840526 [THz] = 495.026671 [cm-1]
( 0.568211 -0.102320 0.284151 -0.051196 0.284060 -0.051124 )
( 0.577350 -0.000055 0.288726 -0.000055 0.288624 0.000000 )
freq ( 3) = 26.758273 [THz] = 892.559905 [cm-1]
( -0.342258 0.222545 0.342258 -0.222545 0.342258 -0.222545 )
( -0.408248 -0.000000 0.408248 -0.000000 0.408248 0.000000 )
freq ( 4) = 37.841893 [THz] = 1262.269686 [cm-1]
( 0.568218 -0.102284 0.284237 -0.051175 0.283981 -0.051109 )
( -0.577350 0.000019 -0.288807 0.000019 -0.288544 0.000000 )
freq ( 5) = 37.841893 [THz] = 1262.269686 [cm-1]
( 0.000151 -0.000016 -0.492017 0.088562 0.492169 -0.088578 )
( -0.000152 -0.000011 0.499924 -0.000011 -0.500076 0.000000 )
freq ( 6) = 39.896458 [THz] = 1330.802599 [cm-1]
( -0.342258 0.222545 0.342258 -0.222545 0.342258 -0.222545 )
( 0.408248 0.000000 -0.408248 0.000000 -0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3333 -0.3333 1.0000
**************************************************************************
freq ( 1) = 21.891336 [THz] = 730.216366 [cm-1]
( -0.499993 0.002696 -0.499993 0.002696 0.000000 0.000000 )
( -0.499993 0.002696 -0.499993 0.002696 0.000000 0.000000 )
freq ( 2) = 29.835685 [THz] = 995.211334 [cm-1]
( 0.000000 0.453002 0.000000 -0.453002 -0.299298 -0.000000 )
( -0.000000 0.453002 -0.000000 -0.453002 0.299298 0.000000 )
freq ( 3) = 29.900329 [THz] = 997.367633 [cm-1]
( 0.000000 0.017260 0.000000 -0.017260 0.706685 0.000000 )
( 0.000000 -0.017260 0.000000 0.017260 0.706685 0.000000 )
freq ( 4) = 32.828911 [THz] = 1095.054600 [cm-1]
( 0.000000 0.499702 0.000000 -0.499702 -0.024409 0.000000 )
( 0.000000 -0.499702 0.000000 0.499702 -0.024409 0.000000 )
freq ( 5) = 34.336458 [THz] = 1145.340945 [cm-1]
( -0.500000 0.000196 -0.500000 0.000196 -0.000000 0.000000 )
( 0.500000 -0.000196 0.500000 -0.000196 0.000000 0.000000 )
freq ( 6) = 38.218601 [THz] = 1274.835319 [cm-1]
( 0.000000 -0.211635 0.000000 0.211635 -0.640641 0.000000 )
( -0.000000 -0.211635 -0.000000 0.211635 0.640641 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.6667 -0.6667 -0.0000
**************************************************************************
freq ( 1) = 21.891336 [THz] = 730.216361 [cm-1]
( 0.333807 -0.372254 -0.333807 0.372254 -0.000000 -0.000000 )
( -0.489285 -0.102958 0.489285 0.102958 -0.000000 0.000000 )
freq ( 2) = 29.835686 [THz] = 995.211346 [cm-1]
( 0.392311 0.226500 0.392311 0.226500 0.149648 -0.259200 )
( -0.000001 -0.453002 -0.000001 -0.453002 0.299298 0.000000 )
freq ( 3) = 29.900329 [THz] = 997.367629 [cm-1]
( -0.014947 -0.008630 -0.014947 -0.008630 0.353342 -0.612008 )
( -0.000000 -0.017260 -0.000000 -0.017260 -0.706685 0.000000 )
freq ( 4) = 32.828911 [THz] = 1095.054593 [cm-1]
( -0.432755 -0.249851 -0.432755 -0.249851 -0.012204 0.021139 )
( 0.000000 -0.499702 0.000000 -0.499702 0.024409 0.000000 )
freq ( 5) = 34.336458 [THz] = 1145.340948 [cm-1]
( -0.260453 0.426807 0.260453 -0.426807 0.000000 0.000000 )
( -0.499852 -0.012155 0.499852 0.012155 0.000000 0.000000 )
freq ( 6) = 38.218601 [THz] = 1274.835320 [cm-1]
( -0.183282 -0.105818 -0.183282 -0.105818 0.320321 -0.554811 )
( -0.000000 0.211635 -0.000000 0.211635 0.640641 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -1.0000 -0.3333 -0.3333
**************************************************************************
freq ( 1) = 21.891336 [THz] = 730.216361 [cm-1]
( 0.000000 -0.000000 0.250000 0.433013 -0.250000 -0.433013 )
( 0.000000 -0.000000 -0.500000 0.000000 0.500000 0.000000 )
freq ( 2) = 29.835686 [THz] = 995.211346 [cm-1]
( 0.259200 -0.149648 -0.226501 -0.392311 -0.226501 -0.392311 )
( -0.000001 -0.299298 0.453002 -0.000000 0.453002 0.000000 )
freq ( 3) = 29.900329 [THz] = 997.367629 [cm-1]
( -0.612000 0.353355 -0.008630 -0.014947 -0.008630 -0.014947 )
( -0.000015 -0.706685 -0.017260 -0.000000 -0.017260 0.000000 )
freq ( 4) = 32.828911 [THz] = 1095.054593 [cm-1]
( -0.021139 0.012204 0.249851 0.432755 0.249851 0.432755 )
( 0.000000 -0.024409 0.499702 -0.000000 0.499702 0.000000 )
freq ( 5) = 34.336458 [THz] = 1145.340948 [cm-1]
( 0.000000 -0.000000 0.250000 0.433013 -0.250000 -0.433013 )
( 0.000000 -0.000000 0.500000 -0.000000 -0.500000 0.000000 )
freq ( 6) = 38.218601 [THz] = 1274.835320 [cm-1]
( 0.554811 -0.320320 0.105818 0.183282 0.105818 0.183282 )
( 0.000000 -0.640641 -0.211635 0.000000 -0.211635 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.3333 -1.0000 0.3333
**************************************************************************
freq ( 1) = 21.891336 [THz] = 730.216366 [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) = 29.835685 [THz] = 995.211334 [cm-1]
( -0.453002 -0.000000 0.000000 0.299298 0.453002 -0.000000 )
( -0.453002 0.000000 -0.000000 -0.299298 0.453002 0.000000 )
freq ( 3) = 29.900329 [THz] = 997.367633 [cm-1]
( -0.017260 -0.000000 -0.000000 -0.706685 0.017260 -0.000000 )
( 0.017260 -0.000000 -0.000000 -0.706685 -0.017260 0.000000 )
freq ( 4) = 32.828911 [THz] = 1095.054600 [cm-1]
( -0.499702 -0.000000 0.000000 0.024409 0.499702 -0.000000 )
( 0.499702 -0.000000 0.000000 0.024409 -0.499702 0.000000 )
freq ( 5) = 34.336458 [THz] = 1145.340945 [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) = 38.218601 [THz] = 1274.835319 [cm-1]
( -0.211635 -0.000000 0.000000 -0.640641 0.211635 0.000000 )
( -0.211635 -0.000000 -0.000000 0.640641 0.211635 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3333 0.3333 -0.3333
**************************************************************************
freq ( 1) = 14.840526 [THz] = 495.026671 [cm-1]
( 0.478041 -0.146512 -0.478063 0.146516 -0.000023 0.000004 )
( 0.496433 -0.059521 -0.496456 0.059521 -0.000023 0.000000 )
freq ( 2) = 14.840526 [THz] = 495.026671 [cm-1]
( -0.284130 0.051139 -0.284091 0.051127 -0.568221 0.102266 )
( -0.288695 0.000002 -0.288655 -0.000002 -0.577350 0.000000 )
freq ( 3) = 26.758273 [THz] = 892.559905 [cm-1]
( 0.342258 -0.222545 0.342258 -0.222545 -0.342258 0.222545 )
( 0.408248 -0.000000 0.408248 -0.000000 -0.408248 0.000000 )
freq ( 4) = 37.841893 [THz] = 1262.269686 [cm-1]
( -0.284290 0.051111 -0.283931 0.051155 -0.568221 0.102266 )
( 0.288848 0.000053 0.288502 -0.000053 0.577350 0.000000 )
freq ( 5) = 37.841893 [THz] = 1262.269686 [cm-1]
( -0.496251 -0.060289 0.496457 0.060252 0.000205 -0.000037 )
( 0.477726 0.147236 -0.477934 -0.147236 -0.000209 0.000000 )
freq ( 6) = 39.896458 [THz] = 1330.802599 [cm-1]
( 0.342258 -0.222545 0.342258 -0.222545 -0.342258 0.222545 )
( -0.408248 0.000000 -0.408248 0.000000 0.408248 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.6667 -0.6667
**************************************************************************
freq ( 1) = 21.891336 [THz] = 730.216366 [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) = 29.835685 [THz] = 995.211334 [cm-1]
( -0.000000 -0.299298 0.453002 0.000000 -0.453002 0.000000 )
( 0.000000 0.299298 0.453002 -0.000000 -0.453002 0.000000 )
freq ( 3) = 29.900329 [THz] = 997.367633 [cm-1]
( -0.000000 -0.706685 -0.017260 -0.000000 0.017260 -0.000000 )
( -0.000000 -0.706685 0.017260 -0.000000 -0.017260 0.000000 )
freq ( 4) = 32.828911 [THz] = 1095.054600 [cm-1]
( 0.000000 0.024409 -0.499702 -0.000000 0.499702 -0.000000 )
( 0.000000 0.024409 0.499702 -0.000000 -0.499702 0.000000 )
freq ( 5) = 34.336458 [THz] = 1145.340945 [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) = 38.218601 [THz] = 1274.835319 [cm-1]
( 0.000000 -0.640641 -0.211635 -0.000000 0.211635 0.000000 )
( -0.000000 0.640641 -0.211635 -0.000000 0.211635 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6667 0.0000 0.0000
**************************************************************************
freq ( 1) = 20.096095 [THz] = 670.333584 [cm-1]
( -0.000000 -0.000000 0.017845 -0.499681 -0.017845 0.499681 )
( 0.000000 -0.000000 0.500000 -0.000000 -0.500000 0.000000 )
freq ( 2) = 20.096095 [THz] = 670.333590 [cm-1]
( 0.000000 -0.000000 0.423815 -0.265295 0.423815 -0.265295 )
( 0.000000 0.000000 0.500000 -0.000000 0.500000 0.000000 )
freq ( 3) = 28.893064 [THz] = 963.768862 [cm-1]
( -0.701581 0.088226 0.000000 0.000000 0.000000 0.000000 )
( -0.427196 -0.563474 0.000000 0.000000 0.000000 0.000000 )
freq ( 4) = 35.472866 [THz] = 1183.247446 [cm-1]
( 0.000000 -0.000000 -0.423815 0.265295 -0.423815 0.265295 )
( -0.000000 0.000000 0.500000 0.000000 0.500000 0.000000 )
freq ( 5) = 35.472866 [THz] = 1183.247449 [cm-1]
( -0.000000 0.000000 -0.017845 0.499681 0.017845 -0.499681 )
( -0.000000 -0.000000 0.500000 0.000000 -0.500000 0.000000 )
freq ( 6) = 40.301040 [THz] = 1344.297998 [cm-1]
( -0.360345 0.608401 -0.000000 0.000000 -0.000000 0.000000 )
( 0.707063 0.007868 0.000000 -0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6667 0.6667 -0.0000
**************************************************************************
freq ( 1) = 21.891336 [THz] = 730.216361 [cm-1]
( 0.327146 0.378121 -0.327146 -0.378121 -0.000000 0.000000 )
( -0.491036 0.094256 0.491036 -0.094256 -0.000000 0.000000 )
freq ( 2) = 29.835686 [THz] = 995.211346 [cm-1]
( 0.392311 -0.226500 0.392311 -0.226500 0.149648 0.259200 )
( -0.000001 0.453002 -0.000001 0.453002 0.299298 0.000000 )
freq ( 3) = 29.900329 [THz] = 997.367629 [cm-1]
( -0.014947 0.008630 -0.014947 0.008630 0.353342 0.612008 )
( -0.000000 0.017260 -0.000000 0.017260 -0.706685 0.000000 )
freq ( 4) = 32.828911 [THz] = 1095.054593 [cm-1]
( -0.432755 0.249851 -0.432755 0.249851 -0.012204 -0.021139 )
( 0.000000 0.499702 0.000000 0.499702 0.024409 0.000000 )
freq ( 5) = 34.336458 [THz] = 1145.340948 [cm-1]
( -0.257736 -0.428453 0.257736 0.428453 0.000000 -0.000000 )
( -0.499919 0.008979 0.499919 -0.008979 0.000000 0.000000 )
freq ( 6) = 38.218601 [THz] = 1274.835320 [cm-1]
( -0.183282 0.105818 -0.183282 0.105818 0.320321 0.554811 )
( -0.000000 -0.211635 -0.000000 -0.211635 0.640641 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3333 1.0000 -0.3333
**************************************************************************
freq ( 1) = 21.891336 [THz] = 730.216366 [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) = 29.835685 [THz] = 995.211334 [cm-1]
( -0.453002 0.000000 0.000000 -0.299298 0.453002 0.000000 )
( -0.453002 -0.000000 -0.000000 0.299298 0.453002 0.000000 )
freq ( 3) = 29.900329 [THz] = 997.367633 [cm-1]
( -0.017260 0.000000 -0.000000 0.706685 0.017260 0.000000 )
( 0.017260 0.000000 -0.000000 0.706685 -0.017260 0.000000 )
freq ( 4) = 32.828911 [THz] = 1095.054600 [cm-1]
( -0.499702 0.000000 0.000000 -0.024409 0.499702 0.000000 )
( 0.499702 0.000000 0.000000 -0.024409 -0.499702 0.000000 )
freq ( 5) = 34.336458 [THz] = 1145.340945 [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) = 38.218601 [THz] = 1274.835319 [cm-1]
( -0.211635 0.000000 0.000000 0.640641 0.211635 -0.000000 )
( -0.211635 0.000000 -0.000000 -0.640641 0.211635 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 1.0000 0.3333 0.3333
**************************************************************************
freq ( 1) = 21.891336 [THz] = 730.216361 [cm-1]
( 0.000000 0.000000 0.250000 -0.433013 -0.250000 0.433013 )
( 0.000000 0.000000 -0.500000 -0.000000 0.500000 0.000000 )
freq ( 2) = 29.835686 [THz] = 995.211346 [cm-1]
( 0.259200 0.149648 -0.226501 0.392311 -0.226501 0.392311 )
( -0.000001 0.299298 0.453002 0.000000 0.453002 0.000000 )
freq ( 3) = 29.900329 [THz] = 997.367629 [cm-1]
( -0.612000 -0.353355 -0.008630 0.014947 -0.008630 0.014947 )
( -0.000015 0.706685 -0.017260 0.000000 -0.017260 0.000000 )
freq ( 4) = 32.828911 [THz] = 1095.054593 [cm-1]
( -0.021139 -0.012204 0.249851 -0.432755 0.249851 -0.432755 )
( 0.000000 0.024409 0.499702 0.000000 0.499702 0.000000 )
freq ( 5) = 34.336458 [THz] = 1145.340948 [cm-1]
( 0.000000 0.000000 0.250000 -0.433013 -0.250000 0.433013 )
( 0.000000 0.000000 0.500000 0.000000 -0.500000 0.000000 )
freq ( 6) = 38.218601 [THz] = 1274.835320 [cm-1]
( 0.554811 0.320320 0.105818 -0.183282 0.105818 -0.183282 )
( 0.000000 0.640641 -0.211635 -0.000000 -0.211635 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.0000 -0.6667
**************************************************************************
freq ( 1) = 20.096095 [THz] = 670.333584 [cm-1]
( 0.027761 0.499229 -0.027761 -0.499229 0.000000 0.000000 )
( 0.499901 -0.009927 -0.499901 0.009927 0.000000 0.000000 )
freq ( 2) = 20.096095 [THz] = 670.333590 [cm-1]
( 0.237501 0.439992 0.237501 0.439992 -0.000000 0.000000 )
( 0.434768 0.246935 0.434768 0.246935 0.000000 0.000000 )
freq ( 3) = 28.893064 [THz] = 963.768862 [cm-1]
( 0.000000 0.000000 0.000000 0.000000 -0.353553 -0.612372 )
( 0.000000 0.000000 0.000000 0.000000 -0.707107 0.000000 )
freq ( 4) = 35.472866 [THz] = 1183.247446 [cm-1]
( 0.489709 0.100920 0.489709 0.100920 -0.000000 0.000000 )
( -0.468639 0.174292 -0.468639 0.174292 0.000000 0.000000 )
freq ( 5) = 35.472866 [THz] = 1183.247449 [cm-1]
( -0.204475 0.456279 0.204475 -0.456279 -0.000000 0.000000 )
( -0.448690 -0.220629 0.448690 0.220628 0.000000 0.000000 )
freq ( 6) = 40.301040 [THz] = 1344.297998 [cm-1]
( -0.000000 -0.000000 -0.000000 -0.000000 -0.353553 -0.612372 )
( 0.000000 0.000000 0.000000 0.000000 0.707107 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.3333 0.3333 -1.0000
**************************************************************************
freq ( 1) = 21.891336 [THz] = 730.216366 [cm-1]
( -0.499993 -0.002696 -0.499993 -0.002696 0.000000 -0.000000 )
( -0.499993 -0.002696 -0.499993 -0.002696 0.000000 0.000000 )
freq ( 2) = 29.835685 [THz] = 995.211334 [cm-1]
( 0.000000 -0.453002 0.000000 0.453002 -0.299298 0.000000 )
( -0.000000 -0.453002 -0.000000 0.453002 0.299298 0.000000 )
freq ( 3) = 29.900329 [THz] = 997.367633 [cm-1]
( 0.000000 -0.017260 0.000000 0.017260 0.706685 -0.000000 )
( 0.000000 0.017260 0.000000 -0.017260 0.706685 0.000000 )
freq ( 4) = 32.828911 [THz] = 1095.054600 [cm-1]
( 0.000000 -0.499702 0.000000 0.499702 -0.024409 -0.000000 )
( 0.000000 0.499702 0.000000 -0.499702 -0.024409 0.000000 )
freq ( 5) = 34.336458 [THz] = 1145.340945 [cm-1]
( -0.500000 -0.000196 -0.500000 -0.000196 -0.000000 -0.000000 )
( 0.500000 0.000196 0.500000 0.000196 0.000000 0.000000 )
freq ( 6) = 38.218601 [THz] = 1274.835319 [cm-1]
( 0.000000 0.211635 0.000000 -0.211635 -0.640641 -0.000000 )
( -0.000000 0.211635 -0.000000 -0.211635 0.640641 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3333 -0.3333 -0.3333
**************************************************************************
freq ( 1) = 14.840526 [THz] = 495.026671 [cm-1]
( 0.000064 -0.000021 -0.492059 -0.088591 0.492123 0.088570 )
( 0.000059 -0.000032 -0.499970 -0.000032 0.500029 0.000000 )
freq ( 2) = 14.840526 [THz] = 495.026671 [cm-1]
( 0.568211 0.102320 0.284151 0.051196 0.284060 0.051124 )
( 0.577350 0.000055 0.288726 0.000055 0.288624 0.000000 )
freq ( 3) = 26.758273 [THz] = 892.559905 [cm-1]
( -0.342258 -0.222545 0.342258 0.222545 0.342258 0.222545 )
( -0.408248 0.000000 0.408248 0.000000 0.408248 0.000000 )
freq ( 4) = 37.841893 [THz] = 1262.269686 [cm-1]
( 0.568218 0.102284 0.284237 0.051175 0.283981 0.051109 )
( -0.577350 -0.000019 -0.288807 -0.000019 -0.288544 0.000000 )
freq ( 5) = 37.841893 [THz] = 1262.269686 [cm-1]
( 0.000151 0.000016 -0.492017 -0.088562 0.492169 0.088578 )
( -0.000152 0.000011 0.499924 0.000011 -0.500076 0.000000 )
freq ( 6) = 39.896458 [THz] = 1330.802599 [cm-1]
( -0.342258 -0.222545 0.342258 0.222545 0.342258 0.222545 )
( 0.408248 -0.000000 -0.408248 -0.000000 -0.408248 0.000000 )
**************************************************************************
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