Dynamical matrix file 1 2 2 10.2000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1 'Si ' 25593.3543190742 1 1 0.0000000 0.0000000 0.0000000 2 1 0.2500000 0.2500000 0.2500000 Dynamical Matrix in cartesian axes q = ( 0.000000000 0.000000000 0.000000000 ) 1 1 0.28169022 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.28169022 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.28169022 0.00000000 1 2 -0.28139100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.28139100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.28139100 0.00000000 2 1 -0.28139100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.28139100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.28139100 0.00000000 2 2 0.28169022 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.28169022 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.28169022 0.00000000 Dielectric Tensor: 13.408985577622 0.000000000000 0.000000000000 0.000000000000 13.408985577622 0.000000000000 0.000000000000 0.000000000000 13.408985577622 Effective Charges E-U: Z_{alpha}{s,beta} atom # 1 -0.057632033906 0.000000000000 0.000000000000 0.000000000000 -0.057632033906 0.000000000000 0.000000000000 0.000000000000 -0.057632033906 atom # 2 -0.057632033906 0.000000000000 0.000000000000 0.000000000000 -0.057632033906 0.000000000000 0.000000000000 0.000000000000 -0.057632033906 Diagonalizing the dynamical matrix q = ( 0.000000000 0.000000000 0.000000000 ) ************************************************************************** omega( 1) = 0.355716 [THz] = 11.865491 [cm-1] ( 0.100034 0.000000 -0.194391 0.000000 0.672462 0.000000 ) ( 0.100034 0.000000 -0.194391 0.000000 0.672462 0.000000 ) omega( 2) = 0.355716 [THz] = 11.865491 [cm-1] ( 0.616331 0.000000 0.346503 0.000000 0.008481 0.000000 ) ( 0.616331 0.000000 0.346503 0.000000 0.008481 0.000000 ) omega( 3) = 0.355716 [THz] = 11.865491 [cm-1] ( -0.331857 0.000000 0.584934 0.000000 0.218456 0.000000 ) ( -0.331857 0.000000 0.584934 0.000000 0.218456 0.000000 ) omega( 4) = 15.431037 [THz] = 514.727411 [cm-1] ( -0.016869 0.000000 0.225939 0.000000 -0.669826 0.000000 ) ( 0.016869 0.000000 -0.225939 0.000000 0.669826 0.000000 ) omega( 5) = 15.431037 [THz] = 514.727411 [cm-1] ( -0.283801 0.000000 -0.615815 0.000000 -0.200573 0.000000 ) ( 0.283801 0.000000 0.615815 0.000000 0.200573 0.000000 ) omega( 6) = 15.431037 [THz] = 514.727411 [cm-1] ( 0.647435 0.000000 -0.264053 0.000000 -0.105373 0.000000 ) ( -0.647435 0.000000 0.264053 0.000000 0.105373 0.000000 ) **************************************************************************