Dynamical matrix file 1 1 2 7.6282169 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1 'Al ' 24590.7656527287 1 1 0.0000000000 0.0000000000 0.0000000000 Dynamical Matrix in cartesian axes q = ( -0.125000000 0.125000000 0.125000000 ) 1 1 0.01644824 0.00000000 -0.00741080 0.00000000 -0.00741080 0.00000000 -0.00741080 0.00000000 0.01644824 0.00000000 0.00741080 0.00000000 -0.00741080 0.00000000 0.00741080 0.00000000 0.01644824 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.125000000 0.125000000 0.125000000 ) 1 1 0.01644824 0.00000000 0.00741080 0.00000000 0.00741080 0.00000000 0.00741080 0.00000000 0.01644824 0.00000000 0.00741080 0.00000000 0.00741080 0.00000000 0.00741080 0.00000000 0.01644824 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.125000000 -0.125000000 0.125000000 ) 1 1 0.01644824 0.00000000 0.00741080 0.00000000 -0.00741080 0.00000000 0.00741080 0.00000000 0.01644824 0.00000000 -0.00741080 0.00000000 -0.00741080 0.00000000 -0.00741080 0.00000000 0.01644824 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.125000000 -0.125000000 -0.125000000 ) 1 1 0.01644824 0.00000000 -0.00741080 0.00000000 -0.00741080 0.00000000 -0.00741080 0.00000000 0.01644824 0.00000000 0.00741080 0.00000000 -0.00741080 0.00000000 0.00741080 0.00000000 0.01644824 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.125000000 0.125000000 -0.125000000 ) 1 1 0.01644824 0.00000000 -0.00741080 0.00000000 0.00741080 0.00000000 -0.00741080 0.00000000 0.01644824 0.00000000 -0.00741080 0.00000000 0.00741080 0.00000000 -0.00741080 0.00000000 0.01644824 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.125000000 0.125000000 -0.125000000 ) 1 1 0.01644824 0.00000000 0.00741080 0.00000000 -0.00741080 0.00000000 0.00741080 0.00000000 0.01644824 0.00000000 -0.00741080 0.00000000 -0.00741080 0.00000000 -0.00741080 0.00000000 0.01644824 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.125000000 -0.125000000 0.125000000 ) 1 1 0.01644824 0.00000000 -0.00741080 0.00000000 0.00741080 0.00000000 -0.00741080 0.00000000 0.01644824 0.00000000 -0.00741080 0.00000000 0.00741080 0.00000000 -0.00741080 0.00000000 0.01644824 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.125000000 -0.125000000 -0.125000000 ) 1 1 0.01644824 0.00000000 0.00741080 0.00000000 0.00741080 0.00000000 0.00741080 0.00000000 0.01644824 0.00000000 0.00741080 0.00000000 0.00741080 0.00000000 0.00741080 0.00000000 0.01644824 0.00000000 Diagonalizing the dynamical matrix q = ( -0.125000000 0.125000000 0.125000000 ) ************************************************************************** freq ( 1) = 1.994398 [THz] = 66.525944 [cm-1] ( 0.758700 0.000000 0.118045 0.000000 0.640656 0.000000 ) freq ( 2) = 1.994398 [THz] = 66.525944 [cm-1] ( -0.301730 0.000000 -0.807918 0.000000 0.506189 0.000000 ) freq ( 3) = 3.709811 [THz] = 123.745970 [cm-1] ( -0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 ) **************************************************************************