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 = ( 0.250000000 0.000000000 0.000000000 ) 1 1 0.03640977 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.01197060 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.01197060 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 0.000000000 -0.250000000 ) 1 1 0.01197060 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.01197060 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.03640977 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.250000000 0.000000000 0.000000000 ) 1 1 0.03640977 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.01197060 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.01197060 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 -0.250000000 0.000000000 ) 1 1 0.01197060 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.03640977 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.01197060 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 0.250000000 0.000000000 ) 1 1 0.01197060 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.03640977 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.01197060 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 0.000000000 0.250000000 ) 1 1 0.01197060 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.01197060 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.03640977 0.00000000 Diagonalizing the dynamical matrix q = ( 0.250000000 0.000000000 0.000000000 ) ************************************************************************** freq ( 1) = 2.295340 [THz] = 76.564292 [cm-1] ( -0.000000 0.000000 1.000000 -0.000000 0.000000 -0.000000 ) freq ( 2) = 2.295340 [THz] = 76.564292 [cm-1] ( 0.000000 0.000000 -0.000000 0.000000 1.000000 0.000000 ) freq ( 3) = 4.003114 [THz] = 133.529518 [cm-1] ( -1.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 ) **************************************************************************