Dynamical matrix file 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 0.09463813 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.13143342 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000 0.13143342 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 1.000000000 0.000000000 ) 1 1 0.09463813 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.13143342 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000 0.13143342 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 -1.000000000 -0.500000000 ) 1 1 0.13143342 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.13143342 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.09463813 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 1.000000000 0.500000000 ) 1 1 0.13143342 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.13143342 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.09463813 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 -0.500000000 -1.000000000 ) 1 1 0.13143342 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.09463813 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.13143342 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 0.500000000 1.000000000 ) 1 1 0.13143342 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.09463813 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.13143342 0.00000000 Diagonalizing the dynamical matrix q = ( -0.500000000 -1.000000000 0.000000000 ) ************************************************************************** freq ( 1) = 6.453898 [THz] = 215.278859 [cm-1] ( 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 ) freq ( 2) = 7.605748 [THz] = 253.700434 [cm-1] ( 0.000000 -0.000000 0.207482 0.000000 -0.978239 0.000000 ) freq ( 3) = 7.605748 [THz] = 253.700434 [cm-1] ( -0.000000 0.000000 0.978239 0.000000 0.207482 0.000000 ) **************************************************************************