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 -1.000000000 0.000000000 ) 1 1 0.09463764 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.13143313 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.13143313 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 1.000000000 0.500000000 ) 1 1 0.13143313 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.13143313 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.09463764 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 -1.000000000 -0.500000000 ) 1 1 0.13143313 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.13143313 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.09463764 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 1.000000000 0.000000000 ) 1 1 0.09463764 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.13143313 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.13143313 0.00000000 Dynamical Matrix in cartesian axes q = ( -1.000000000 -0.500000000 0.000000000 ) 1 1 0.13143313 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.09463764 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.13143313 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 -0.500000000 -1.000000000 ) 1 1 0.13143313 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.09463764 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.13143313 0.00000000 Diagonalizing the dynamical matrix q = ( -0.500000000 -1.000000000 0.000000000 ) ************************************************************************** freq ( 1) = 6.453881 [THz] = 215.278296 [cm-1] ( 1.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 ) freq ( 2) = 7.605739 [THz] = 253.700152 [cm-1] ( 0.000000 0.000000 -0.982359 0.000000 -0.187004 0.000000 ) freq ( 3) = 7.605739 [THz] = 253.700152 [cm-1] ( -0.000000 0.000000 -0.187004 0.000000 0.982359 0.000000 ) **************************************************************************