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 = ( -0.250000000 0.250000000 -0.250000000 ) 1 1 0.04911451 0.00000000 -0.02107815 0.00000000 0.02107815 0.00000000 -0.02107815 0.00000000 0.04911451 0.00000000 -0.02107815 0.00000000 0.02107815 0.00000000 -0.02107815 0.00000000 0.04911451 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.250000000 -0.250000000 -0.250000000 ) 1 1 0.04911451 0.00000000 -0.02107815 0.00000000 -0.02107815 0.00000000 -0.02107815 0.00000000 0.04911451 0.00000000 0.02107815 0.00000000 -0.02107815 0.00000000 0.02107815 0.00000000 0.04911451 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.250000000 -0.250000000 0.250000000 ) 1 1 0.04911451 0.00000000 -0.02107815 0.00000000 0.02107815 0.00000000 -0.02107815 0.00000000 0.04911451 0.00000000 -0.02107815 0.00000000 0.02107815 0.00000000 -0.02107815 0.00000000 0.04911451 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.250000000 0.250000000 0.250000000 ) 1 1 0.04911451 0.00000000 0.02107815 0.00000000 0.02107815 0.00000000 0.02107815 0.00000000 0.04911451 0.00000000 0.02107815 0.00000000 0.02107815 0.00000000 0.02107815 0.00000000 0.04911451 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.250000000 -0.250000000 -0.250000000 ) 1 1 0.04911451 0.00000000 0.02107815 0.00000000 0.02107815 0.00000000 0.02107815 0.00000000 0.04911451 0.00000000 0.02107815 0.00000000 0.02107815 0.00000000 0.02107815 0.00000000 0.04911451 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.250000000 -0.250000000 0.250000000 ) 1 1 0.04911451 0.00000000 0.02107815 0.00000000 -0.02107815 0.00000000 0.02107815 0.00000000 0.04911451 0.00000000 -0.02107815 0.00000000 -0.02107815 0.00000000 -0.02107815 0.00000000 0.04911451 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.250000000 0.250000000 0.250000000 ) 1 1 0.04911451 0.00000000 -0.02107815 0.00000000 -0.02107815 0.00000000 -0.02107815 0.00000000 0.04911451 0.00000000 0.02107815 0.00000000 -0.02107815 0.00000000 0.02107815 0.00000000 0.04911451 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.250000000 0.250000000 -0.250000000 ) 1 1 0.04911451 0.00000000 0.02107815 0.00000000 -0.02107815 0.00000000 0.02107815 0.00000000 0.04911451 0.00000000 -0.02107815 0.00000000 -0.02107815 0.00000000 -0.02107815 0.00000000 0.04911451 0.00000000 Diagonalizing the dynamical matrix q = ( -0.250000000 0.250000000 -0.250000000 ) ************************************************************************** freq ( 1) = 3.512771 [THz] = 117.173427 [cm-1] ( -0.739790 0.000000 -0.070674 0.000000 0.669116 0.000000 ) freq ( 2) = 3.512771 [THz] = 117.173427 [cm-1] ( 0.345510 0.000000 0.813432 0.000000 0.467922 0.000000 ) freq ( 3) = 6.338040 [THz] = 211.414258 [cm-1] ( 0.577350 0.000000 -0.577350 0.000000 0.577350 0.000000 ) **************************************************************************