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0.01148351 -0.00966876 0.01148351 0.00966876 -0.01148351 0.25738088 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.750000000 -0.750000000 -0.250000000 ) 1 1 0.20172360 -0.00000000 -0.00836287 0.00000000 -0.01029613 0.01350127 -0.00836287 0.00000000 0.20172360 -0.00000000 0.01029613 -0.01350127 -0.01029613 -0.01350127 0.01029613 0.01350127 0.27611489 -0.00000000 1 2 -0.04953462 0.05022486 -0.12274288 -0.03788657 -0.04729112 0.03453723 -0.12274288 -0.03788657 -0.04953462 0.05022486 0.04729112 -0.03453723 -0.03772242 0.03886426 0.03772242 -0.03886426 -0.06129294 0.06096987 2 1 -0.04953462 -0.05022486 -0.12274288 0.03788657 -0.03772242 -0.03886426 -0.12274288 0.03788657 -0.04953462 -0.05022486 0.03772242 0.03886426 -0.04729112 -0.03453723 0.04729112 0.03453723 -0.06129294 -0.06096987 2 2 0.22672636 -0.00000000 -0.01555694 -0.00000000 -0.00966876 0.01148351 -0.01555694 -0.00000000 0.22672636 -0.00000000 0.00966876 -0.01148351 -0.00966876 -0.01148351 0.00966876 0.01148351 0.25738088 -0.00000000 Dynamical Matrix in cartesian axes q = ( 0.750000000 0.250000000 -0.750000000 ) 1 1 0.20172360 0.00000000 0.01029613 0.01350127 -0.00836287 0.00000000 0.01029613 -0.01350127 0.27611489 -0.00000000 -0.01029613 0.01350127 -0.00836287 0.00000000 -0.01029613 -0.01350127 0.20172360 0.00000000 1 2 -0.04953462 -0.05022486 0.04729112 0.03453723 -0.12274288 0.03788657 0.03772242 0.03886426 -0.06129294 -0.06096987 -0.03772242 -0.03886426 -0.12274288 0.03788657 -0.04729112 -0.03453723 -0.04953462 -0.05022486 2 1 -0.04953462 0.05022486 0.03772242 -0.03886426 -0.12274288 -0.03788657 0.04729112 -0.03453723 -0.06129294 0.06096987 -0.04729112 0.03453723 -0.12274288 -0.03788657 -0.03772242 0.03886426 -0.04953462 0.05022486 2 2 0.22672636 0.00000000 0.00966876 0.01148351 -0.01555694 0.00000000 0.00966876 -0.01148351 0.25738088 0.00000000 -0.00966876 0.01148351 -0.01555694 0.00000000 -0.00966876 -0.01148351 0.22672636 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.750000000 -0.250000000 0.750000000 ) 1 1 0.20172360 -0.00000000 0.01029613 -0.01350127 -0.00836287 -0.00000000 0.01029613 0.01350127 0.27611489 0.00000000 -0.01029613 -0.01350127 -0.00836287 -0.00000000 -0.01029613 0.01350127 0.20172360 -0.00000000 1 2 -0.04953462 0.05022486 0.04729112 -0.03453723 -0.12274288 -0.03788657 0.03772242 -0.03886426 -0.06129294 0.06096987 -0.03772242 0.03886426 -0.12274288 -0.03788657 -0.04729112 0.03453723 -0.04953462 0.05022486 2 1 -0.04953462 -0.05022486 0.03772242 0.03886426 -0.12274288 0.03788657 0.04729112 0.03453723 -0.06129294 -0.06096987 -0.04729112 -0.03453723 -0.12274288 0.03788657 -0.03772242 -0.03886426 -0.04953462 -0.05022486 2 2 0.22672636 -0.00000000 0.00966876 -0.01148351 -0.01555694 -0.00000000 0.00966876 0.01148351 0.25738088 -0.00000000 -0.00966876 -0.01148351 -0.01555694 -0.00000000 -0.00966876 0.01148351 0.22672636 -0.00000000 Dynamical Matrix in cartesian axes q = ( -0.250000000 0.750000000 0.750000000 ) 1 1 0.27611489 0.00000000 -0.01029613 0.01350127 -0.01029613 0.01350127 -0.01029613 -0.01350127 0.20172360 0.00000000 0.00836287 -0.00000000 -0.01029613 -0.01350127 0.00836287 -0.00000000 0.20172360 0.00000000 1 2 -0.06096987 0.06129294 -0.03886426 0.03772242 -0.03886426 0.03772242 -0.03453723 0.04729112 -0.05022486 0.04953462 -0.03788657 -0.12274288 -0.03453723 0.04729112 -0.03788657 -0.12274288 -0.05022486 0.04953462 2 1 -0.06096987 -0.06129294 -0.03453723 -0.04729112 -0.03453723 -0.04729112 -0.03886426 -0.03772242 -0.05022486 -0.04953462 -0.03788657 0.12274288 -0.03886426 -0.03772242 -0.03788657 0.12274288 -0.05022486 -0.04953462 2 2 0.25738088 0.00000000 -0.00966876 0.01148351 -0.00966876 0.01148351 -0.00966876 -0.01148351 0.22672636 0.00000000 0.01555694 0.00000000 -0.00966876 -0.01148351 0.01555694 0.00000000 0.22672636 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.250000000 -0.750000000 -0.750000000 ) 1 1 0.27611489 -0.00000000 -0.01029613 -0.01350127 -0.01029613 -0.01350127 -0.01029613 0.01350127 0.20172360 -0.00000000 0.00836287 0.00000000 -0.01029613 0.01350127 0.00836287 0.00000000 0.20172360 -0.00000000 1 2 -0.06096987 -0.06129294 -0.03886426 -0.03772242 -0.03886426 -0.03772242 -0.03453723 -0.04729112 -0.05022486 -0.04953462 -0.03788657 0.12274288 -0.03453723 -0.04729112 -0.03788657 0.12274288 -0.05022486 -0.04953462 2 1 -0.06096987 0.06129294 -0.03453723 0.04729112 -0.03453723 0.04729112 -0.03886426 0.03772242 -0.05022486 0.04953462 -0.03788657 -0.12274288 -0.03886426 0.03772242 -0.03788657 -0.12274288 -0.05022486 0.04953462 2 2 0.25738088 -0.00000000 -0.00966876 -0.01148351 -0.00966876 -0.01148351 -0.00966876 0.01148351 0.22672636 -0.00000000 0.01555694 -0.00000000 -0.00966876 0.01148351 0.01555694 -0.00000000 0.22672636 -0.00000000 Dynamical Matrix in cartesian axes q = ( 0.250000000 0.750000000 -0.750000000 ) 1 1 0.27611489 -0.00000000 0.01029613 -0.01350127 -0.01029613 0.01350127 0.01029613 0.01350127 0.20172360 -0.00000000 -0.00836287 0.00000000 -0.01029613 -0.01350127 -0.00836287 0.00000000 0.20172360 -0.00000000 1 2 -0.06129294 -0.06096987 0.03772242 0.03886426 -0.03772242 -0.03886426 0.04729112 0.03453723 -0.04953462 -0.05022486 -0.12274288 0.03788657 -0.04729112 -0.03453723 -0.12274288 0.03788657 -0.04953462 -0.05022486 2 1 -0.06129294 0.06096987 0.04729112 -0.03453723 -0.04729112 0.03453723 0.03772242 -0.03886426 -0.04953462 0.05022486 -0.12274288 -0.03788657 -0.03772242 0.03886426 -0.12274288 -0.03788657 -0.04953462 0.05022486 2 2 0.25738088 0.00000000 0.00966876 -0.01148351 -0.00966876 0.01148351 0.00966876 0.01148351 0.22672636 0.00000000 -0.01555694 0.00000000 -0.00966876 -0.01148351 -0.01555694 0.00000000 0.22672636 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.250000000 -0.750000000 0.750000000 ) 1 1 0.27611489 0.00000000 0.01029613 0.01350127 -0.01029613 -0.01350127 0.01029613 -0.01350127 0.20172360 0.00000000 -0.00836287 -0.00000000 -0.01029613 0.01350127 -0.00836287 -0.00000000 0.20172360 0.00000000 1 2 -0.06129294 0.06096987 0.03772242 -0.03886426 -0.03772242 0.03886426 0.04729112 -0.03453723 -0.04953462 0.05022486 -0.12274288 -0.03788657 -0.04729112 0.03453723 -0.12274288 -0.03788657 -0.04953462 0.05022486 2 1 -0.06129294 -0.06096987 0.04729112 0.03453723 -0.04729112 -0.03453723 0.03772242 0.03886426 -0.04953462 -0.05022486 -0.12274288 0.03788657 -0.03772242 -0.03886426 -0.12274288 0.03788657 -0.04953462 -0.05022486 2 2 0.25738088 -0.00000000 0.00966876 0.01148351 -0.00966876 -0.01148351 0.00966876 -0.01148351 0.22672636 -0.00000000 -0.01555694 -0.00000000 -0.00966876 0.01148351 -0.01555694 -0.00000000 0.22672636 -0.00000000 Diagonalizing the dynamical matrix q = ( 0.750000000 -0.250000000 0.750000000 ) ************************************************************************** freq ( 1) = 2.620989 [THz] = 87.426770 [cm-1] ( 0.035201 -0.491509 0.000000 -0.000000 -0.035201 0.491509 ) ( 0.507129 -0.000000 0.000000 0.000000 -0.507129 0.000000 ) freq ( 2) = 3.804579 [THz] = 126.907082 [cm-1] ( -0.375343 -0.170404 -0.331331 0.158352 -0.375343 -0.170404 ) ( -0.422979 0.000000 -0.288433 -0.290326 -0.422979 0.000000 ) freq ( 3) = 5.902630 [THz] = 196.890533 [cm-1] ( 0.083468 -0.194379 0.164676 0.150699 0.083468 -0.194379 ) ( -0.376617 -0.000000 0.470473 0.596361 -0.376617 0.000000 ) freq ( 4) = 10.568988 [THz] = 352.543493 [cm-1] ( -0.047678 0.665720 0.000000 0.000000 0.047678 -0.665720 ) ( 0.233545 -0.000000 0.000000 0.000000 -0.233545 0.000000 ) freq ( 5) = 10.588928 [THz] = 353.208622 [cm-1] ( -0.486062 -0.463246 0.011960 0.086988 -0.486062 -0.463246 ) ( 0.175623 -0.000000 -0.020073 0.168801 0.175623 0.000000 ) freq ( 6) = 11.478004 [THz] = 382.865013 [cm-1] ( 0.056565 0.056743 -0.732825 0.646671 0.056565 0.056743 ) ( 0.071778 0.000000 0.147062 -0.003714 0.071778 -0.000000 ) **************************************************************************