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 -1.000000000 0.000000000 ) 1 1 0.08351341 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.22183387 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.08351341 0.00000000 Dynamical Matrix in cartesian axes q = ( -1.000000000 0.000000000 0.000000000 ) 1 1 0.22183387 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.08351341 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.08351341 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 0.000000000 -1.000000000 ) 1 1 0.08351341 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.08351341 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.22183387 0.00000000 Diagonalizing the dynamical matrix q = ( 0.000000000 -1.000000000 0.000000000 ) ************************************************************************** freq ( 1) = 6.062715 [THz] = 202.230389 [cm-1] ( -0.742128 0.000000 -0.000000 0.000000 0.670258 0.000000 ) freq ( 2) = 6.062715 [THz] = 202.230389 [cm-1] ( 0.670258 0.000000 0.000000 0.000000 0.742128 0.000000 ) freq ( 3) = 9.881046 [THz] = 329.596229 [cm-1] ( -0.000000 0.000000 1.000000 0.000000 -0.000000 0.000000 ) **************************************************************************