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 = ( 1.000000000 0.000000000 0.000000000 ) 1 1 0.22183422 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.08351404 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.08351404 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 1.000000000 0.000000000 ) 1 1 0.08351404 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.22183422 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000 0.08351404 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 0.000000000 -1.000000000 ) 1 1 0.08351404 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000 0.08351404 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.22183422 0.00000000 Diagonalizing the dynamical matrix q = ( 1.000000000 0.000000000 0.000000000 ) ************************************************************************** freq ( 1) = 6.062737 [THz] = 202.231147 [cm-1] ( 0.000000 0.000000 -0.707107 0.000000 0.707107 0.000000 ) freq ( 2) = 6.062737 [THz] = 202.231147 [cm-1] ( 0.000000 0.000000 0.707107 0.000000 0.707107 0.000000 ) freq ( 3) = 9.881054 [THz] = 329.596486 [cm-1] ( 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 ) **************************************************************************