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 = ( 0.125000000 0.125000000 0.125000000 ) 1 1 0.01441455 0.00000000 0.00621539 0.00000000 0.00621539 0.00000000 0.00621539 0.00000000 0.01441455 0.00000000 0.00621539 0.00000000 0.00621539 0.00000000 0.00621539 0.00000000 0.01441455 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.125000000 0.125000000 -0.125000000 ) 1 1 0.01441455 0.00000000 -0.00621539 0.00000000 0.00621539 0.00000000 -0.00621539 0.00000000 0.01441455 0.00000000 -0.00621539 0.00000000 0.00621539 0.00000000 -0.00621539 0.00000000 0.01441455 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.125000000 -0.125000000 -0.125000000 ) 1 1 0.01441455 0.00000000 -0.00621539 0.00000000 -0.00621539 0.00000000 -0.00621539 0.00000000 0.01441455 0.00000000 0.00621539 0.00000000 -0.00621539 0.00000000 0.00621539 0.00000000 0.01441455 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.125000000 -0.125000000 0.125000000 ) 1 1 0.01441455 0.00000000 -0.00621539 0.00000000 0.00621539 0.00000000 -0.00621539 0.00000000 0.01441455 0.00000000 -0.00621539 0.00000000 0.00621539 0.00000000 -0.00621539 0.00000000 0.01441455 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.125000000 0.125000000 0.125000000 ) 1 1 0.01441455 0.00000000 -0.00621539 0.00000000 -0.00621539 0.00000000 -0.00621539 0.00000000 0.01441455 0.00000000 0.00621539 0.00000000 -0.00621539 0.00000000 0.00621539 0.00000000 0.01441455 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.125000000 -0.125000000 -0.125000000 ) 1 1 0.01441455 0.00000000 0.00621539 0.00000000 0.00621539 0.00000000 0.00621539 0.00000000 0.01441455 0.00000000 0.00621539 0.00000000 0.00621539 0.00000000 0.00621539 0.00000000 0.01441455 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.125000000 -0.125000000 0.125000000 ) 1 1 0.01441455 0.00000000 0.00621539 0.00000000 -0.00621539 0.00000000 0.00621539 0.00000000 0.01441455 0.00000000 -0.00621539 0.00000000 -0.00621539 0.00000000 -0.00621539 0.00000000 0.01441455 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.125000000 0.125000000 -0.125000000 ) 1 1 0.01441455 0.00000000 0.00621539 0.00000000 -0.00621539 0.00000000 0.00621539 0.00000000 0.01441455 0.00000000 -0.00621539 0.00000000 -0.00621539 0.00000000 -0.00621539 0.00000000 0.01441455 0.00000000 Diagonalizing the dynamical matrix q = ( 0.125000000 0.125000000 0.125000000 ) ************************************************************************** freq ( 1) = 1.899650 [THz] = 63.365514 [cm-1] ( 0.707107 0.000000 -0.707107 0.000000 0.000000 0.000000 ) freq ( 2) = 1.899650 [THz] = 63.365514 [cm-1] ( 0.408248 0.000000 0.408248 0.000000 -0.816497 0.000000 ) freq ( 3) = 3.437348 [THz] = 114.657580 [cm-1] ( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 ) **************************************************************************