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 = ( 0.375000000 0.375000000 0.375000000 ) 1 1 0.08360412 0.00000000 0.04011979 0.00000000 0.04011979 0.00000000 0.04011979 0.00000000 0.08360412 0.00000000 0.04011979 0.00000000 0.04011979 0.00000000 0.04011979 0.00000000 0.08360412 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.375000000 0.375000000 -0.375000000 ) 1 1 0.08360412 0.00000000 -0.04011979 0.00000000 0.04011979 0.00000000 -0.04011979 0.00000000 0.08360412 0.00000000 -0.04011979 0.00000000 0.04011979 0.00000000 -0.04011979 0.00000000 0.08360412 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.375000000 -0.375000000 -0.375000000 ) 1 1 0.08360412 0.00000000 -0.04011979 0.00000000 -0.04011979 0.00000000 -0.04011979 0.00000000 0.08360412 0.00000000 0.04011979 0.00000000 -0.04011979 0.00000000 0.04011979 0.00000000 0.08360412 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.375000000 -0.375000000 0.375000000 ) 1 1 0.08360412 0.00000000 -0.04011979 0.00000000 0.04011979 0.00000000 -0.04011979 0.00000000 0.08360412 0.00000000 -0.04011979 0.00000000 0.04011979 0.00000000 -0.04011979 0.00000000 0.08360412 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.375000000 0.375000000 0.375000000 ) 1 1 0.08360412 0.00000000 -0.04011979 0.00000000 -0.04011979 0.00000000 -0.04011979 0.00000000 0.08360412 0.00000000 0.04011979 0.00000000 -0.04011979 0.00000000 0.04011979 0.00000000 0.08360412 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.375000000 -0.375000000 -0.375000000 ) 1 1 0.08360412 0.00000000 0.04011979 0.00000000 0.04011979 0.00000000 0.04011979 0.00000000 0.08360412 0.00000000 0.04011979 0.00000000 0.04011979 0.00000000 0.04011979 0.00000000 0.08360412 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.375000000 -0.375000000 0.375000000 ) 1 1 0.08360412 0.00000000 0.04011979 0.00000000 -0.04011979 0.00000000 0.04011979 0.00000000 0.08360412 0.00000000 -0.04011979 0.00000000 -0.04011979 0.00000000 -0.04011979 0.00000000 0.08360412 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.375000000 0.375000000 -0.375000000 ) 1 1 0.08360412 0.00000000 0.04011979 0.00000000 -0.04011979 0.00000000 0.04011979 0.00000000 0.08360412 0.00000000 -0.04011979 0.00000000 -0.04011979 0.00000000 -0.04011979 0.00000000 0.08360412 0.00000000 Diagonalizing the dynamical matrix q = ( 0.375000000 0.375000000 0.375000000 ) ************************************************************************** freq ( 1) = 4.374772 [THz] = 145.926672 [cm-1] ( -0.317328 0.000000 0.810183 0.000000 -0.492855 0.000000 ) freq ( 2) = 4.374772 [THz] = 145.926672 [cm-1] ( 0.752310 0.000000 -0.101341 0.000000 -0.650969 0.000000 ) freq ( 3) = 8.491881 [THz] = 283.258654 [cm-1] ( 0.577350 0.000000 0.577350 0.000000 0.577350 0.000000 ) **************************************************************************