Dynamical matrix file Phonon dispersions for Al 1 1 2 7.5000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1 'Al ' 24590.765652728711 1 1 0.0000000000 0.0000000000 0.0000000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 -0.500000000 0.500000000 ) 1 1 0.09708701 0.00000000 -0.05231886 0.00000000 0.05231886 0.00000000 -0.05231886 0.00000000 0.09708701 0.00000000 -0.05231886 0.00000000 0.05231886 0.00000000 -0.05231886 0.00000000 0.09708701 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 0.500000000 0.500000000 ) 1 1 0.09708701 0.00000000 0.05231886 0.00000000 0.05231886 0.00000000 0.05231886 0.00000000 0.09708701 0.00000000 0.05231886 0.00000000 0.05231886 0.00000000 0.05231886 0.00000000 0.09708701 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.500000000 0.500000000 0.500000000 ) 1 1 0.09708701 0.00000000 -0.05231886 0.00000000 -0.05231886 0.00000000 -0.05231886 0.00000000 0.09708701 0.00000000 0.05231886 0.00000000 -0.05231886 0.00000000 0.05231886 0.00000000 0.09708701 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 0.500000000 -0.500000000 ) 1 1 0.09708701 0.00000000 0.05231886 0.00000000 -0.05231886 0.00000000 0.05231886 0.00000000 0.09708701 0.00000000 -0.05231886 0.00000000 -0.05231886 0.00000000 -0.05231886 0.00000000 0.09708701 0.00000000 Diagonalizing the dynamical matrix q = ( 0.500000000 -0.500000000 0.500000000 ) ************************************************************************** freq ( 1) = 4.438882 [THz] = 148.065163 [cm-1] ( 0.789499 0.000000 0.575077 0.000000 -0.214423 0.000000 ) freq ( 2) = 4.438882 [THz] = 148.065163 [cm-1] ( -0.208224 0.000000 0.579615 0.000000 0.787839 0.000000 ) freq ( 3) = 9.422553 [THz] = 314.302524 [cm-1] ( 0.577350 0.000000 -0.577350 0.000000 0.577350 0.000000 ) **************************************************************************