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 0.09708723 0.00000000 0.05231868 0.00000000 0.05231868 0.00000000 0.05231868 0.00000000 0.09708723 0.00000000 0.05231868 0.00000000 0.05231868 0.00000000 0.05231868 0.00000000 0.09708723 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 -0.500000000 -0.500000000 ) 1 1 0.09708723 0.00000000 -0.05231868 0.00000000 -0.05231868 0.00000000 -0.05231868 0.00000000 0.09708723 0.00000000 0.05231868 0.00000000 -0.05231868 0.00000000 0.05231868 0.00000000 0.09708723 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 -0.500000000 0.500000000 ) 1 1 0.09708723 0.00000000 -0.05231868 0.00000000 0.05231868 0.00000000 -0.05231868 0.00000000 0.09708723 0.00000000 -0.05231868 0.00000000 0.05231868 0.00000000 -0.05231868 0.00000000 0.09708723 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.500000000 -0.500000000 0.500000000 ) 1 1 0.09708723 0.00000000 0.05231868 0.00000000 -0.05231868 0.00000000 0.05231868 0.00000000 0.09708723 0.00000000 -0.05231868 0.00000000 -0.05231868 0.00000000 -0.05231868 0.00000000 0.09708723 0.00000000 Diagonalizing the dynamical matrix q = ( 0.500000000 0.500000000 0.500000000 ) ************************************************************************** freq ( 1) = 4.438902 [THz] = 148.065820 [cm-1] ( 0.258579 0.000000 0.541421 0.000000 -0.800000 0.000000 ) freq ( 2) = 4.438902 [THz] = 148.065820 [cm-1] ( 0.774470 0.000000 -0.611171 0.000000 -0.163299 0.000000 ) freq ( 3) = 9.422550 [THz] = 314.302429 [cm-1] ( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 ) **************************************************************************