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 = ( -0.375000000 0.375000000 0.375000000 ) 1 1 0.08817860 0.00000000 -0.04734451 0.00000000 -0.04734451 0.00000000 -0.04734451 0.00000000 0.08817860 0.00000000 0.04734451 0.00000000 -0.04734451 0.00000000 0.04734451 0.00000000 0.08817860 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.375000000 0.375000000 0.375000000 ) 1 1 0.08817860 0.00000000 0.04734451 0.00000000 0.04734451 0.00000000 0.04734451 0.00000000 0.08817860 0.00000000 0.04734451 0.00000000 0.04734451 0.00000000 0.04734451 0.00000000 0.08817860 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.375000000 -0.375000000 0.375000000 ) 1 1 0.08817860 0.00000000 0.04734451 0.00000000 -0.04734451 0.00000000 0.04734451 0.00000000 0.08817860 0.00000000 -0.04734451 0.00000000 -0.04734451 0.00000000 -0.04734451 0.00000000 0.08817860 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.375000000 -0.375000000 -0.375000000 ) 1 1 0.08817860 0.00000000 -0.04734451 0.00000000 -0.04734451 0.00000000 -0.04734451 0.00000000 0.08817860 0.00000000 0.04734451 0.00000000 -0.04734451 0.00000000 0.04734451 0.00000000 0.08817860 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.375000000 0.375000000 -0.375000000 ) 1 1 0.08817860 0.00000000 -0.04734451 0.00000000 0.04734451 0.00000000 -0.04734451 0.00000000 0.08817860 0.00000000 -0.04734451 0.00000000 0.04734451 0.00000000 -0.04734451 0.00000000 0.08817860 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.375000000 0.375000000 -0.375000000 ) 1 1 0.08817860 0.00000000 0.04734451 0.00000000 -0.04734451 0.00000000 0.04734451 0.00000000 0.08817860 0.00000000 -0.04734451 0.00000000 -0.04734451 0.00000000 -0.04734451 0.00000000 0.08817860 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.375000000 -0.375000000 0.375000000 ) 1 1 0.08817860 0.00000000 -0.04734451 0.00000000 0.04734451 0.00000000 -0.04734451 0.00000000 0.08817860 0.00000000 -0.04734451 0.00000000 0.04734451 0.00000000 -0.04734451 0.00000000 0.08817860 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.375000000 -0.375000000 -0.375000000 ) 1 1 0.08817860 0.00000000 0.04734451 0.00000000 0.04734451 0.00000000 0.04734451 0.00000000 0.08817860 0.00000000 0.04734451 0.00000000 0.04734451 0.00000000 0.04734451 0.00000000 0.08817860 0.00000000 Diagonalizing the dynamical matrix q = ( -0.375000000 0.375000000 0.375000000 ) ************************************************************************** freq ( 1) = 4.239361 [THz] = 141.409865 [cm-1] ( 0.764304 0.000000 0.133396 0.000000 0.630908 0.000000 ) freq ( 2) = 4.239361 [THz] = 141.409865 [cm-1] ( 0.287238 0.000000 0.805526 0.000000 -0.518288 0.000000 ) freq ( 3) = 8.971342 [THz] = 299.251761 [cm-1] ( -0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 ) **************************************************************************