Dynamical matrix file 2 2 2 10.5000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1 'Al ' 24590.765652728711 2 'As ' 68285.402620549852 1 1 0.0000000000 0.0000000000 0.0000000000 2 2 0.2500000000 0.2500000000 0.2500000000 Dynamical Matrix in cartesian axes q = ( 0.000000000 0.000000000 0.000000000 ) 1 1 0.21175593 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.21175593 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.21175593 0.00000000 1 2 -0.21172025 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.21172025 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000 -0.21172025 0.00000000 2 1 -0.21172025 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 -0.21172025 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.21172025 0.00000000 2 2 0.21191700 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.21191700 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000 0.21191700 0.00000000 Dielectric Tensor: 13.744216097853 0.000000000000 -0.000000000000 -0.000000000000 13.744216097853 0.000000000000 -0.000000000000 0.000000000000 13.744216097853 Effective Charges E-U: Z_{alpha}{s,beta} atom # 1 1.882645103587 -0.000000000000 -0.000000000000 -0.000000000000 1.882645103587 -0.000000000000 0.000000000000 0.000000000000 1.882645103587 atom # 2 -3.233740772498 -0.000000000000 -0.000000000000 0.000000000000 -3.233740772498 -0.000000000000 -0.000000000000 -0.000000000000 -3.233740772498 Diagonalizing the dynamical matrix q = ( 0.000000000 0.000000000 0.000000000 ) ************************************************************************** freq ( 1) = 0.164575 [THz] = 5.489636 [cm-1] ( -0.125101 0.000000 0.449454 -0.000000 -0.531415 0.000000 ) ( -0.125086 0.000000 0.449399 -0.000000 -0.531350 0.000000 ) freq ( 2) = 0.164575 [THz] = 5.489636 [cm-1] ( 0.085585 0.000000 -0.525900 0.000000 -0.464936 0.000000 ) ( 0.085575 0.000000 -0.525835 0.000000 -0.464880 0.000000 ) freq ( 3) = 0.164575 [THz] = 5.489636 [cm-1] ( 0.690714 0.000000 0.146568 0.000000 -0.038639 0.000000 ) ( 0.690630 0.000000 0.146550 0.000000 -0.038635 0.000000 ) freq ( 4) = 11.258806 [THz] = 375.553348 [cm-1] ( -0.771504 0.000000 0.484447 0.000000 -0.235097 0.000000 ) ( 0.277866 0.000000 -0.174479 0.000000 0.084673 0.000000 ) freq ( 5) = 11.258806 [THz] = 375.553348 [cm-1] ( 0.199099 0.000000 -0.125020 0.000000 -0.910993 0.000000 ) ( -0.071708 0.000000 0.045027 0.000000 0.328104 0.000000 ) freq ( 6) = 11.258806 [THz] = 375.553348 [cm-1] ( -0.500319 0.000000 -0.796780 0.000000 0.000000 0.000000 ) ( 0.180196 0.000000 0.286970 0.000000 0.000000 0.000000 ) **************************************************************************