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

369 lines
24 KiB
Plaintext

diagonalizing the dynamical matrix ...
q = 0.0000 0.0000 0.0000
**************************************************************************
freq ( 1) = -0.000000 [THz] = -0.000005 [cm-1]
( 0.077009 0.000000 0.580439 0.000000 0.396434 0.000000 )
( 0.077009 0.000000 0.580439 0.000000 0.396434 0.000000 )
freq ( 2) = -0.000000 [THz] = -0.000003 [cm-1]
( 0.065749 0.000000 0.391109 0.000000 -0.585415 0.000000 )
( 0.065749 0.000000 0.391109 0.000000 -0.585415 0.000000 )
freq ( 3) = 0.000000 [THz] = 0.000005 [cm-1]
( 0.699819 0.000000 -0.100618 0.000000 0.011376 0.000000 )
( 0.699819 0.000000 -0.100618 0.000000 0.011376 0.000000 )
freq ( 4) = 11.257887 [THz] = 375.522686 [cm-1]
( -0.019377 0.000000 0.655385 0.000000 0.674762 0.000000 )
( 0.006978 0.000000 -0.236009 0.000000 -0.242987 0.000000 )
freq ( 5) = 11.257887 [THz] = 375.522686 [cm-1]
( -0.767961 0.000000 -0.400761 0.000000 0.367199 0.000000 )
( 0.276549 0.000000 0.144317 0.000000 -0.132231 0.000000 )
freq ( 6) = 12.308255 [THz] = 410.559188 [cm-1]
( -0.543203 0.000000 0.543203 0.000000 -0.543203 0.000000 )
( 0.195612 0.000000 -0.195612 0.000000 0.195612 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.1667 0.1667 -0.1667
**************************************************************************
freq ( 1) = 1.294213 [THz] = 43.170299 [cm-1]
( -0.003456 -0.019767 -0.496877 -0.049595 -0.493421 -0.029828 )
( -0.004697 -0.019755 -0.504884 -0.019755 -0.500187 0.000000 )
freq ( 2) = 1.294213 [THz] = 43.170299 [cm-1]
( 0.569589 0.067585 0.278490 0.049987 -0.291099 -0.017597 )
( 0.579423 0.033485 0.284333 0.033485 -0.295090 0.000000 )
freq ( 3) = 3.225919 [THz] = 107.605082 [cm-1]
( -0.317316 -0.219753 0.317316 0.219753 -0.317316 -0.219753 )
( -0.429363 0.000000 0.429363 -0.000000 -0.429363 0.000000 )
freq ( 4) = 11.117751 [THz] = 370.848269 [cm-1]
( 0.106443 0.024571 -0.605486 -0.018466 -0.711929 -0.043037 )
( -0.038340 -0.006443 0.215488 -0.006443 0.253828 0.000000 )
freq ( 5) = 11.117751 [THz] = 370.848269 [cm-1]
( -0.761438 -0.001139 -0.473819 0.016248 0.287619 0.017387 )
( 0.270515 -0.015947 0.167969 -0.015947 -0.102546 0.000000 )
freq ( 6) = 12.263825 [THz] = 409.077178 [cm-1]
( -0.451570 -0.312729 0.451570 0.312729 -0.451570 -0.312729 )
( 0.177816 0.000000 -0.177816 -0.000000 0.177816 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.3333 0.3333 -0.3333
**************************************************************************
freq ( 1) = 1.988212 [THz] = 66.319630 [cm-1]
( 0.118898 -0.006567 -0.420540 -0.031396 -0.539438 -0.024829 )
( 0.122415 -0.012428 -0.435574 -0.012428 -0.557989 0.000000 )
freq ( 2) = 1.988212 [THz] = 66.319630 [cm-1]
( -0.551671 -0.062433 -0.376330 -0.054362 0.175341 0.008070 )
( -0.572404 -0.038234 -0.391033 -0.038234 0.181371 0.000000 )
freq ( 3) = 5.552528 [THz] = 185.212383 [cm-1]
( 0.061111 0.295229 -0.061111 -0.295229 0.061111 0.295229 )
( 0.492380 -0.000000 -0.492380 -0.000000 0.492380 0.000000 )
freq ( 4) = 10.937271 [THz] = 364.828103 [cm-1]
( 0.173593 -0.062551 -0.558257 -0.096236 -0.731850 -0.033685 )
( -0.059431 0.024558 0.195891 0.024558 0.255322 0.000000 )
freq ( 5) = 10.937271 [THz] = 364.828103 [cm-1]
( -0.706475 -0.247613 -0.466465 -0.236566 0.240010 0.011047 )
( 0.249916 0.074883 0.166183 0.074883 -0.083733 0.000000 )
freq ( 6) = 11.909575 [THz] = 397.260664 [cm-1]
( 0.114282 0.552103 -0.114282 -0.552103 0.114282 0.552103 )
( -0.124317 0.000000 0.124317 -0.000000 -0.124317 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.5000 0.5000
**************************************************************************
freq ( 1) = 2.009655 [THz] = 67.034883 [cm-1]
( 0.020975 -0.000000 -0.479512 -0.000000 -0.500487 0.000000 )
( 0.021794 -0.000000 -0.498234 -0.000000 -0.520028 0.000000 )
freq ( 2) = 2.009655 [THz] = 67.034883 [cm-1]
( -0.565803 -0.000000 -0.301066 -0.000000 0.264736 -0.000000 )
( -0.587894 -0.000000 -0.312821 -0.000000 0.275073 0.000000 )
freq ( 3) = 6.491898 [THz] = 216.546403 [cm-1]
( -0.141623 -0.000000 0.141623 0.000000 -0.141623 -0.000000 )
( 0.559711 -0.000000 -0.559711 0.000000 0.559711 0.000000 )
freq ( 4) = 10.939924 [THz] = 364.916579 [cm-1]
( 0.266801 -0.000000 -0.493493 -0.000000 -0.760294 0.000000 )
( -0.092467 0.000000 0.171033 0.000000 0.263500 0.000000 )
freq ( 5) = 10.939924 [THz] = 364.916579 [cm-1]
( -0.723874 -0.000000 -0.592994 -0.000000 0.130880 -0.000000 )
( 0.250878 0.000000 0.205518 0.000000 -0.045360 0.000000 )
freq ( 6) = 11.550995 [THz] = 385.299732 [cm-1]
( -0.574968 -0.000000 0.574968 0.000000 -0.574968 -0.000000 )
( -0.052390 -0.000000 0.052390 0.000000 -0.052390 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.3333 0.0000
**************************************************************************
freq ( 1) = 1.788954 [THz] = 59.673090 [cm-1]
( 0.607990 -0.221466 -0.000000 0.000000 0.071355 0.270185 )
( 0.696431 0.132743 -0.000000 0.000000 -0.023931 0.000000 )
freq ( 2) = 1.788954 [THz] = 59.673090 [cm-1]
( 0.157939 0.230536 -0.000000 -0.000000 0.564875 -0.315620 )
( 0.023508 0.004481 0.000000 -0.000000 0.708969 0.000000 )
freq ( 3) = 3.291386 [THz] = 109.788825 [cm-1]
( -0.000000 -0.000000 -0.090608 -0.653571 -0.000000 0.000000 )
( 0.000000 -0.000000 0.282790 -0.696179 -0.000000 0.000000 )
freq ( 4) = 10.964936 [THz] = 365.750903 [cm-1]
( -0.772598 0.204327 0.000000 -0.000000 -0.488763 -0.094662 )
( 0.299647 0.016562 -0.000000 0.000000 0.153072 0.000000 )
freq ( 5) = 10.964936 [THz] = 365.750903 [cm-1]
( 0.188126 -0.460932 -0.000000 0.000000 -0.593679 0.534978 )
( -0.152839 -0.008448 0.000000 -0.000000 0.300104 0.000000 )
freq ( 6) = 12.382554 [THz] = 413.037556 [cm-1]
( 0.000000 -0.000000 0.871326 -0.387159 -0.000000 0.000000 )
( -0.000000 -0.000000 -0.299821 -0.031739 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.1667 0.5000 -0.1667
**************************************************************************
freq ( 1) = 2.309587 [THz] = 77.039528 [cm-1]
( 0.295615 -0.399158 -0.000000 0.000000 -0.295615 0.399158 )
( 0.503274 0.000000 -0.000000 -0.000000 -0.503274 0.000000 )
freq ( 2) = 2.838155 [THz] = 94.670665 [cm-1]
( 0.409862 0.068140 0.351896 -0.086697 0.409862 0.068140 )
( 0.426302 0.000000 0.362102 0.169732 0.426302 0.000000 )
freq ( 3) = 4.917809 [THz] = 164.040439 [cm-1]
( -0.134805 -0.208067 0.426686 0.161690 -0.134805 -0.208067 )
( -0.318210 0.000000 0.594230 0.336515 -0.318210 0.000000 )
freq ( 4) = 10.713537 [THz] = 357.365125 [cm-1]
( -0.396537 0.535429 -0.000000 -0.000000 0.396537 -0.535429 )
( 0.236800 0.000000 -0.000000 0.000000 -0.236800 0.000000 )
freq ( 5) = 10.869479 [THz] = 362.566796 [cm-1]
( -0.602035 -0.208412 -0.259719 0.122720 -0.602035 -0.208412 )
( 0.212009 0.000000 0.073416 0.102165 0.212009 0.000000 )
freq ( 6) = 11.987328 [THz] = 399.854220 [cm-1]
( -0.066669 -0.201748 0.763290 0.516588 -0.066669 -0.201748 )
( 0.044479 -0.000000 -0.166338 -0.169133 0.044479 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6667 -0.3333 0.6667
**************************************************************************
freq ( 1) = 2.343336 [THz] = 78.165277 [cm-1]
( 0.277300 -0.405852 -0.000000 -0.000000 -0.277300 0.405852 )
( 0.508320 -0.000000 -0.000000 -0.000000 -0.508320 0.000000 )
freq ( 2) = 3.281056 [THz] = 109.444232 [cm-1]
( -0.323144 -0.065296 -0.477337 0.151116 -0.323144 -0.065296 )
( -0.336260 0.000000 -0.506214 -0.222591 -0.336260 0.000000 )
freq ( 3) = 6.092872 [THz] = 203.236337 [cm-1]
( 0.087197 -0.224553 -0.007569 0.128650 0.087197 -0.224553 )
( -0.499076 -0.000000 0.528012 0.300644 -0.499076 0.000000 )
freq ( 4) = 10.726794 [THz] = 357.807345 [cm-1]
( -0.376724 0.551368 0.000000 -0.000000 0.376724 -0.551368 )
( 0.232534 0.000000 -0.000000 -0.000000 -0.232534 0.000000 )
freq ( 5) = 10.836346 [THz] = 361.461591 [cm-1]
( -0.452268 -0.460697 -0.270694 0.060836 -0.452268 -0.460697 )
( 0.146018 0.000000 0.064379 0.206541 0.146018 0.000000 )
freq ( 6) = 11.308812 [THz] = 377.221352 [cm-1]
( 0.252147 0.036709 -0.689460 0.604178 0.252147 0.036709 )
( 0.076196 0.000000 0.111655 -0.075397 0.076196 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.1667 0.5000
**************************************************************************
freq ( 1) = 2.387528 [THz] = 79.639348 [cm-1]
( -0.255594 0.415160 0.000000 -0.000000 0.255594 -0.415160 )
( -0.512166 0.000000 0.000000 0.000000 0.512166 0.000000 )
freq ( 2) = 3.286817 [THz] = 109.636406 [cm-1]
( 0.254512 0.079213 0.552477 -0.181234 0.254512 0.079213 )
( 0.273815 0.000000 0.535643 0.288023 0.273815 0.000000 )
freq ( 3) = 5.802638 [THz] = 193.555172 [cm-1]
( 0.141395 0.180301 -0.245889 -0.176047 0.141395 0.180301 )
( -0.533414 0.000000 0.404495 0.266209 -0.533414 0.000000 )
freq ( 4) = 10.791629 [THz] = 359.970012 [cm-1]
( -0.350679 0.569606 -0.000000 -0.000000 0.350679 -0.569606 )
( 0.229289 0.000000 0.000000 0.000000 -0.229289 0.000000 )
freq ( 5) = 10.806301 [THz] = 360.459390 [cm-1]
( -0.564077 -0.230847 -0.379711 0.168555 -0.564077 -0.230847 )
( 0.064417 0.000000 0.241981 0.132695 0.064417 0.000000 )
freq ( 6) = 11.341745 [THz] = 378.319898 [cm-1]
( 0.193634 0.302309 -0.816018 -0.163527 0.193634 0.302309 )
( 0.148542 0.000000 -0.006785 0.073685 0.148542 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3333 0.0000 0.3333
**************************************************************************
freq ( 1) = 1.871747 [THz] = 62.434761 [cm-1]
( -0.246295 0.426595 0.000000 -0.000000 0.246295 -0.426595 )
( -0.507302 -0.000000 0.000000 0.000000 0.507302 0.000000 )
freq ( 2) = 2.892388 [THz] = 96.479677 [cm-1]
( 0.062146 -0.107640 -0.581605 -0.335790 0.062146 -0.107640 )
( -0.136580 -0.000000 0.000000 -0.693380 -0.136580 0.000000 )
freq ( 3) = 4.313386 [THz] = 143.879074 [cm-1]
( -0.204214 0.353709 -0.189220 -0.109246 -0.204214 0.353709 )
( -0.531251 -0.000000 -0.000000 0.232767 -0.531251 0.000000 )
freq ( 4) = 10.966166 [THz] = 365.791934 [cm-1]
( -0.333739 0.578053 0.000000 -0.000000 0.333739 -0.578053 )
( 0.233394 0.000000 -0.000000 0.000000 -0.233394 0.000000 )
freq ( 5) = 11.041609 [THz] = 368.308445 [cm-1]
( 0.125957 -0.218165 -0.758480 -0.437909 0.125957 -0.218165 )
( 0.063665 0.000000 -0.000000 0.312914 0.063665 0.000000 )
freq ( 6) = 11.863586 [THz] = 395.726636 [cm-1]
( -0.319086 0.552674 -0.287203 -0.165817 -0.319086 0.552674 )
( 0.191961 -0.000000 -0.000000 -0.042345 0.191961 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.6667 0.0000
**************************************************************************
freq ( 1) = 2.752726 [THz] = 91.821058 [cm-1]
( 0.381087 -0.204107 -0.000000 0.000000 0.547183 0.105689 )
( 0.645404 -0.019030 -0.000000 -0.000000 0.292618 -0.000000 )
freq ( 2) = 2.752726 [THz] = 91.821058 [cm-1]
( -0.377371 -0.410086 0.000000 0.000000 0.026510 0.431490 )
( 0.292491 -0.008624 -0.000000 -0.000000 -0.645685 0.000000 )
freq ( 3) = 5.631801 [THz] = 187.856667 [cm-1]
( 0.000000 0.000000 -0.295547 0.376160 -0.000000 -0.000000 )
( -0.000000 0.000000 -0.869272 -0.124591 0.000000 -0.000000 )
freq ( 4) = 10.461286 [THz] = 348.950955 [cm-1]
( -0.673917 0.004795 0.000000 -0.000000 -0.643152 0.135660 )
( 0.213664 -0.009916 -0.000000 0.000000 0.260797 0.000000 )
freq ( 5) = 10.461286 [THz] = 348.950955 [cm-1]
( 0.232838 0.614682 0.000000 -0.000000 -0.359616 -0.569967 )
( 0.260517 -0.012091 -0.000000 0.000000 -0.213893 0.000000 )
freq ( 6) = 12.307025 [THz] = 410.518157 [cm-1]
( -0.000000 0.000000 -0.437513 0.878366 -0.000000 -0.000000 )
( 0.000000 -0.000000 0.192137 -0.011826 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.8333 -0.1667 0.8333
**************************************************************************
freq ( 1) = 2.792395 [THz] = 93.144276 [cm-1]
( -0.228785 -0.439248 -0.000000 0.000000 0.228785 0.439248 )
( 0.504697 -0.000000 -0.000000 -0.000000 -0.504697 0.000000 )
freq ( 2) = 3.581925 [THz] = 119.480145 [cm-1]
( 0.431782 0.200797 0.139332 -0.132171 0.431782 0.200797 )
( 0.484739 -0.000000 0.078616 0.182984 0.484739 0.000000 )
freq ( 3) = 6.123617 [THz] = 204.261871 [cm-1]
( 0.097055 -0.070128 0.221169 0.109430 0.097055 -0.070128 )
( -0.211729 -0.000000 0.263990 0.866652 -0.211729 0.000000 )
freq ( 4) = 10.451221 [THz] = 348.615198 [cm-1]
( -0.580602 -0.328413 0.060829 0.022238 -0.580602 -0.328413 )
( 0.210300 -0.000000 -0.021343 0.130344 0.210300 -0.000000 )
freq ( 5) = 10.470929 [THz] = 349.272585 [cm-1]
( -0.307984 -0.591304 0.000000 0.000000 0.307984 0.591304 )
( -0.235596 0.000000 -0.000000 0.000000 0.235596 0.000000 )
freq ( 6) = 11.790210 [THz] = 393.279078 [cm-1]
( 0.016052 0.028500 -0.586704 0.798316 0.016052 0.028500 )
( 0.049673 0.000000 0.106286 0.009880 0.049673 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6667 0.0000 0.6667
**************************************************************************
freq ( 1) = 2.801412 [THz] = 93.445044 [cm-1]
( -0.243401 -0.421582 -0.000000 -0.000000 0.243401 0.421582 )
( 0.512859 -0.000000 0.000000 0.000000 -0.512859 0.000000 )
freq ( 2) = 4.187785 [THz] = 139.689455 [cm-1]
( 0.196098 0.339651 0.382960 -0.221102 0.196098 0.339651 )
( 0.375173 -0.000000 -0.000000 0.464018 0.375173 0.000000 )
freq ( 3) = 5.978949 [THz] = 199.436287 [cm-1]
( 0.057398 0.099416 -0.106134 0.061276 0.057398 0.099416 )
( -0.465437 -0.000000 -0.000000 0.724818 -0.465437 0.000000 )
freq ( 4) = 10.314457 [THz] = 344.053247 [cm-1]
( -0.338654 -0.586567 0.124952 -0.072141 -0.338654 -0.586567 )
( 0.095385 -0.000000 0.000000 0.208546 0.095385 -0.000000 )
freq ( 5) = 10.557622 [THz] = 352.164355 [cm-1]
( -0.334550 -0.579457 0.000000 0.000000 0.334550 0.579457 )
( -0.228706 -0.000000 -0.000000 -0.000000 0.228706 0.000000 )
freq ( 6) = 11.260454 [THz] = 375.608305 [cm-1]
( -0.000649 -0.001125 -0.843972 0.487267 -0.000649 -0.001125 )
( 0.135943 0.000000 -0.000000 0.115402 0.135943 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 -1.0000 0.0000
**************************************************************************
freq ( 1) = 2.839984 [THz] = 94.731658 [cm-1]
( -0.530395 0.000000 -0.000000 -0.000000 -0.468490 -0.000000 )
( -0.467739 -0.000000 0.000000 -0.000000 -0.529546 0.000000 )
freq ( 2) = 2.839984 [THz] = 94.731658 [cm-1]
( -0.468490 0.000000 0.000000 0.000000 0.530395 -0.000000 )
( 0.529546 0.000000 0.000000 0.000000 -0.467739 0.000000 )
freq ( 3) = 6.562504 [THz] = 218.901575 [cm-1]
( 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 )
( 0.000000 -0.000000 -1.000000 -0.000000 -0.000000 0.000000 )
freq ( 4) = 10.441969 [THz] = 348.306595 [cm-1]
( 0.648028 0.000000 -0.000000 0.000000 0.681866 -0.000000 )
( -0.245939 0.000000 0.000000 0.000000 -0.233735 0.000000 )
freq ( 5) = 10.441969 [THz] = 348.306595 [cm-1]
( 0.681866 -0.000000 -0.000000 0.000000 -0.648028 0.000000 )
( 0.233735 -0.000000 0.000000 -0.000000 -0.245939 0.000000 )
freq ( 6) = 12.209939 [THz] = 407.279738 [cm-1]
( -0.000000 0.000000 -1.000000 0.000000 0.000000 -0.000000 )
( 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6667 -0.3333 1.0000
**************************************************************************
freq ( 1) = 3.039266 [THz] = 101.378996 [cm-1]
( -0.314635 -0.544964 -0.137791 -0.238661 0.086614 -0.050007 )
( -0.000000 -0.546062 -0.000000 -0.352372 -0.309389 0.000000 )
freq ( 2) = 3.541007 [THz] = 118.115274 [cm-1]
( 0.131216 0.227272 -0.092267 -0.159812 0.533942 -0.308271 )
( -0.000000 -0.418424 -0.000000 0.086978 0.578193 0.000000 )
freq ( 3) = 5.566025 [THz] = 185.662618 [cm-1]
( 0.048022 0.083177 -0.176285 -0.305335 -0.224095 0.129381 )
( -0.000000 0.290244 0.000000 -0.761595 0.367754 0.000000 )
freq ( 4) = 10.472120 [THz] = 349.312334 [cm-1]
( -0.471787 -0.817158 0.035713 0.061856 0.046463 -0.026826 )
( 0.000000 0.166357 0.000000 0.119980 0.244171 0.000000 )
freq ( 5) = 10.811859 [THz] = 360.644789 [cm-1]
( -0.000106 -0.000183 -0.135537 -0.234758 0.785955 -0.453771 )
( 0.000000 0.253640 -0.000000 -0.059543 -0.187100 0.000000 )
freq ( 6) = 11.432097 [THz] = 381.333718 [cm-1]
( -0.003402 -0.005893 -0.470163 -0.814346 -0.237622 0.137191 )
( 0.000000 0.032214 0.000000 0.198373 -0.008129 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.1667 0.8333
**************************************************************************
freq ( 1) = 3.210020 [THz] = 107.074741 [cm-1]
( 0.013252 0.606565 -0.061911 0.232220 -0.071993 -0.229294 )
( -0.440332 0.267216 -0.163591 0.314296 0.354322 0.000000 )
freq ( 2) = 3.949842 [THz] = 131.752559 [cm-1]
( 0.241896 0.236782 0.141579 -0.401984 0.398868 -0.150134 )
( 0.110624 -0.431229 0.352763 0.193739 0.402463 0.000000 )
freq ( 3) = 5.954089 [THz] = 198.607027 [cm-1]
( -0.134398 0.060290 0.111474 -0.088453 -0.140189 0.024441 )
( 0.293040 0.211654 -0.199691 -0.603066 0.635268 0.000000 )
freq ( 4) = 10.435648 [THz] = 348.095752 [cm-1]
( -0.040173 -0.893336 0.167823 0.175732 0.151373 -0.190086 )
( -0.053169 0.033970 -0.083133 0.179502 0.197818 0.000000 )
freq ( 5) = 10.822411 [THz] = 360.996762 [cm-1]
( 0.041470 0.020798 0.262794 0.621014 -0.654878 0.160790 )
( -0.016221 -0.275813 0.077161 -0.009107 0.077697 0.000000 )
freq ( 6) = 10.898750 [THz] = 363.543152 [cm-1]
( -0.123422 -0.169813 -0.671492 -0.073150 -0.137699 0.661280 )
( -0.009433 0.021197 0.098024 0.108789 0.146437 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.3333 -1.0000 0.0000
**************************************************************************
freq ( 1) = 3.478502 [THz] = 116.030325 [cm-1]
( 0.627737 0.362424 -0.000000 -0.000000 0.000000 0.000000 )
( 0.000000 -0.000000 -0.000000 0.258513 0.638566 0.000000 )
freq ( 2) = 3.713405 [THz] = 123.865873 [cm-1]
( 0.000000 0.000000 -0.026741 0.256581 -0.611916 -0.063774 )
( -0.680276 0.303591 0.000000 0.000000 0.000000 0.000000 )
freq ( 3) = 6.148329 [THz] = 205.086164 [cm-1]
( -0.119714 -0.069117 -0.000000 0.000000 -0.000000 -0.000000 )
( -0.000000 0.000000 0.000000 -0.897086 0.419676 0.000000 )
freq ( 4) = 10.427722 [THz] = 347.831362 [cm-1]
( 0.000000 0.000000 -0.024903 0.089150 0.922186 0.257600 )
( -0.264642 0.067914 -0.000000 -0.000000 -0.000000 0.000000 )
freq ( 5) = 10.515468 [THz] = 350.758265 [cm-1]
( 0.808094 0.466553 -0.000000 -0.000000 -0.000000 -0.000000 )
( 0.000000 -0.000000 0.000000 -0.193557 -0.303063 0.000000 )
freq ( 6) = 11.314432 [THz] = 377.408842 [cm-1]
( -0.000000 -0.000000 -0.254352 -0.959226 -0.001663 0.000441 )
( -0.087371 0.086918 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************