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 = ( 0.000000000 0.500000000 0.000000000 ) 1 1 0.04008816 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.09536610 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.04008816 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.500000000 0.000000000 0.000000000 ) 1 1 0.09536610 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.04008816 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.04008816 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 0.000000000 0.500000000 ) 1 1 0.04008816 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.04008816 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.09536610 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 -0.500000000 0.000000000 ) 1 1 0.04008816 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.09536610 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.04008816 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 0.000000000 -0.500000000 ) 1 1 0.04008816 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.04008816 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.09536610 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.500000000 0.000000000 0.000000000 ) 1 1 0.09536610 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.04008816 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000 0.04008816 0.00000000 Diagonalizing the dynamical matrix q = ( 0.000000000 0.500000000 0.000000000 ) ************************************************************************** freq ( 1) = 4.200462 [THz] = 140.112341 [cm-1] ( 0.272687 0.000000 -0.000000 0.000000 0.962103 -0.000000 ) freq ( 2) = 4.200462 [THz] = 140.112341 [cm-1] ( 0.962103 -0.000000 -0.000000 0.000000 -0.272687 0.000000 ) freq ( 3) = 6.478673 [THz] = 216.105255 [cm-1] ( 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 ) **************************************************************************