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 = ( 0.375000000 0.375000000 0.375000000 ) 1 1 0.08361242 0.00000000 0.04012557 0.00000000 0.04012557 0.00000000 0.04012557 0.00000000 0.08361242 0.00000000 0.04012557 0.00000000 0.04012557 0.00000000 0.04012557 0.00000000 0.08361242 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.375000000 0.375000000 -0.375000000 ) 1 1 0.08361242 0.00000000 -0.04012557 0.00000000 0.04012557 0.00000000 -0.04012557 0.00000000 0.08361242 0.00000000 -0.04012557 0.00000000 0.04012557 0.00000000 -0.04012557 0.00000000 0.08361242 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.375000000 -0.375000000 -0.375000000 ) 1 1 0.08361242 0.00000000 -0.04012557 0.00000000 -0.04012557 0.00000000 -0.04012557 0.00000000 0.08361242 0.00000000 0.04012557 0.00000000 -0.04012557 0.00000000 0.04012557 0.00000000 0.08361242 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.375000000 -0.375000000 0.375000000 ) 1 1 0.08361242 0.00000000 -0.04012557 0.00000000 0.04012557 0.00000000 -0.04012557 0.00000000 0.08361242 0.00000000 -0.04012557 0.00000000 0.04012557 0.00000000 -0.04012557 0.00000000 0.08361242 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.375000000 0.375000000 0.375000000 ) 1 1 0.08361242 0.00000000 -0.04012557 0.00000000 -0.04012557 0.00000000 -0.04012557 0.00000000 0.08361242 0.00000000 0.04012557 0.00000000 -0.04012557 0.00000000 0.04012557 0.00000000 0.08361242 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.375000000 -0.375000000 -0.375000000 ) 1 1 0.08361242 0.00000000 0.04012557 0.00000000 0.04012557 0.00000000 0.04012557 0.00000000 0.08361242 0.00000000 0.04012557 0.00000000 0.04012557 0.00000000 0.04012557 0.00000000 0.08361242 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.375000000 -0.375000000 0.375000000 ) 1 1 0.08361242 0.00000000 0.04012557 0.00000000 -0.04012557 0.00000000 0.04012557 0.00000000 0.08361242 0.00000000 -0.04012557 0.00000000 -0.04012557 0.00000000 -0.04012557 0.00000000 0.08361242 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.375000000 0.375000000 -0.375000000 ) 1 1 0.08361242 0.00000000 0.04012557 0.00000000 -0.04012557 0.00000000 0.04012557 0.00000000 0.08361242 0.00000000 -0.04012557 0.00000000 -0.04012557 0.00000000 -0.04012557 0.00000000 0.08361242 0.00000000 Diagonalizing the dynamical matrix q = ( 0.375000000 0.375000000 0.375000000 ) ************************************************************************** freq ( 1) = 4.374898 [THz] = 145.930899 [cm-1] ( -0.763441 0.000000 0.130986 0.000000 0.632456 0.000000 ) freq ( 2) = 4.374898 [THz] = 145.930899 [cm-1] ( 0.289524 0.000000 -0.805921 0.000000 0.516398 0.000000 ) freq ( 3) = 8.492395 [THz] = 283.275817 [cm-1] ( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 ) **************************************************************************