Program PHONON v.7.1 starts on 22Sep2026 at 20:44:51 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 16 processors MPI processes distributed on 1 nodes R & G space division: proc/nbgrp/npool/nimage = 16 56695 MiB available memory on the printing compute node when the environment starts Reading input from phx.in Title line not specified: using 'default'. Reading xml data from directory: ./out/srnsnse.save/ file Sr.pbe-spn-kjpaw_psl.1.0.0.UPF: wavefunction(s) 4P renormalized file N.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Sn.pbe-dn-kjpaw_psl.1.0.0.UPF: wavefunction(s) 5S 5P 4D renormalized file Se.pbe-dn-kjpaw_psl.1.0.0.UPF: wavefunction(s) 4S 4P 3D renormalized IMPORTANT: XC functional enforced from input : Exchange-correlation= VDW-DF3-OPT1 ( 1 4 45 0 3 0 0) Any further DFT definition will be discarded Please, verify this is what you really want Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 226 113 31 112496 39765 5729 Max 227 114 32 112547 39797 5778 Sum 3631 1813 499 1800391 636455 91975 Using Slab Decomposition negative rho (up, down): 3.710E-05 0.000E+00 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % % % You are using vdW-DF, which was implemented by the Thonhauser group. % % Please cite the following two papers that made this development % % possible and the two reviews that describe the various versions: % % % % T. Thonhauser et al., PRL 115, 136402 (2015). % % T. Thonhauser et al., PRB 76, 125112 (2007). % % K. Berland et al., Rep. Prog. Phys. 78, 066501 (2015). % % D.C. Langreth et al., J. Phys.: Condens. Matter 21, 084203 (2009). % % % % If you are calculating stress with vdW-DF, please also cite: % % % % R. Sabatini et al., J. Phys.: Condens. Matter 24, 424209 (2012). % % % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % % % vdW-DF NEWS: % % % % * vdW-DF3 is now available. DOI: 10.1021/acs.jctc.0c00471 % % use with input_dft = 'vdW-DF3-opt1' or 'vdW-DF3-opt2' % % % % * Unscreened and range-separated vdW-DF hybrid functionals % % DOI: 10.1063/1.4986522 and 10.1088/1361-648X/ac2ad2 % % use with input_dft = 'vdW-DF-cx0' (etc) and 'vdW-DF-ahcx' % % % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Carrying out vdW-DF run using the following parameters: Nqs = 20 Npoints = 1024 r_max = 100.000 q_mesh = 0.00001000 0.04494208 0.09755937 0.15916263 0.23128650 0.31572767 0.41458969 0.53033537 0.66584808 0.82450364 1.01025438 1.22772762 1.48234092 1.78043706 2.12944203 2.53805004 3.01644009 3.57652955 4.23227104 5.00000000 ----------------------------------------------- Non-local corr. energy = 1.46676082 Ry ----------------------------------------------- Reading collected, re-writing distributed wavefunctions Dynamical matrices for ( 8, 8, 1) uniform grid of q-points ( 10 q-points): N xq(1) xq(2) xq(3) 1 0.000000000 0.000000000 0.000000000 2 0.000000000 0.144337567 0.000000000 3 0.000000000 0.288675135 0.000000000 4 0.000000000 0.433012702 0.000000000 5 0.000000000 -0.577350269 0.000000000 6 0.125000000 0.216506351 0.000000000 7 0.125000000 0.360843918 0.000000000 8 0.125000000 0.505181486 0.000000000 9 0.250000000 0.433012702 0.000000000 10 0.250000000 0.577350269 0.000000000 autoval = -.3933E+01 Irreps are as follows: mode # 1 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3933E+01 Irreps are as follows: mode # 2 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1184E+01 Irreps are as follows: mode # 3 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1184E+01 Irreps are as follows: mode # 4 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.4728E+00 Irreps are as follows: mode # 5 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.00000 0.00000 ) ( 1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.4728E+00 Irreps are as follows: mode # 6 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( -0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2580E-01 Irreps are as follows: mode # 7 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2171E-01 Irreps are as follows: mode # 8 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1200E-01 Irreps are as follows: mode # 9 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2660E-02 Irreps are as follows: mode # 10 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) autoval = 0.2037E-02 Irreps are as follows: mode # 11 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.2448E-02 Irreps are as follows: mode # 12 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.7042E+00 Irreps are as follows: mode # 13 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.7042E+00 Irreps are as follows: mode # 14 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.1711E+01 Irreps are as follows: mode # 15 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( -0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.1711E+01 Irreps are as follows: mode # 16 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.00000 0.00000 ) ( 1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.2106E+01 Irreps are as follows: mode # 17 ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.2106E+01 Irreps are as follows: mode # 18 ( -0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.5019E+01 Irreps are as follows: mode # 1 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99887 0.00000 ) ( -0.04759 0.00107 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2858E+01 Irreps are as follows: mode # 2 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2533E+01 Irreps are as follows: mode # 3 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99779 0.00000 ) ( 0.05923 -0.03011 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2342E+01 Irreps are as follows: mode # 4 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99975 -0.00000 ) ( 0.01104 0.01945 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1713E+01 Irreps are as follows: mode # 5 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3745E+00 Irreps are as follows: mode # 6 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2718E-01 Irreps are as follows: mode # 7 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2603E-01 Irreps are as follows: mode # 8 ( 0.00000 0.00000 ) ( -0.01557 0.00000 ) ( -0.88938 -0.45690 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1035E-01 Irreps are as follows: mode # 9 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04761 0.00000 ) ( 0.99861 -0.02245 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8194E-02 Irreps are as follows: mode # 10 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04201 -0.00000 ) ( 0.99701 0.06484 ) autoval = -.8234E-03 Irreps are as follows: mode # 11 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.06644 0.00000 ) ( -0.88942 0.45223 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.2195E-02 Irreps are as follows: mode # 12 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.00818 -0.00000 ) ( -0.83742 -0.54650 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3210E-02 Irreps are as follows: mode # 13 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.02237 0.00000 ) ( -0.49333 -0.86955 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.9531E+00 Irreps are as follows: mode # 14 ( 0.00000 0.00000 ) ( -0.99988 0.00000 ) ( 0.01385 0.00712 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.1576E+01 Irreps are as follows: mode # 15 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3127E+01 Irreps are as follows: mode # 16 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99912 -0.00000 ) ( -0.04192 -0.00273 ) autoval = 0.3260E+01 Irreps are as follows: mode # 17 ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3797E+01 Irreps are as follows: mode # 18 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99997 0.00000 ) ( 0.00685 0.00447 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.5019E+01 Irreps are as follows: mode # 1 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99887 0.00000 ) ( -0.04759 0.00107 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2858E+01 Irreps are as follows: mode # 2 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2533E+01 Irreps are as follows: mode # 3 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99779 0.00000 ) ( 0.05923 -0.03011 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2342E+01 Irreps are as follows: mode # 4 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99975 -0.00000 ) ( 0.01104 0.01945 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1713E+01 Irreps are as follows: mode # 5 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3745E+00 Irreps are as follows: mode # 6 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2718E-01 Irreps are as follows: mode # 7 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2603E-01 Irreps are as follows: mode # 8 ( 0.00000 0.00000 ) ( -0.01557 0.00000 ) ( -0.88938 -0.45690 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1035E-01 Irreps are as follows: mode # 9 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04761 0.00000 ) ( 0.99861 -0.02245 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8194E-02 Irreps are as follows: mode # 10 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04201 -0.00000 ) ( 0.99701 0.06484 ) autoval = -.8234E-03 Irreps are as follows: mode # 11 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.06644 0.00000 ) ( -0.88942 0.45223 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.2195E-02 Irreps are as follows: mode # 12 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.00818 -0.00000 ) ( -0.83742 -0.54650 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3210E-02 Irreps are as follows: mode # 13 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.02237 0.00000 ) ( -0.49333 -0.86955 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.9531E+00 Irreps are as follows: mode # 14 ( 0.00000 0.00000 ) ( -0.99988 0.00000 ) ( 0.01385 0.00712 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.1576E+01 Irreps are as follows: mode # 15 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3127E+01 Irreps are as follows: mode # 16 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99912 -0.00000 ) ( -0.04192 -0.00273 ) autoval = 0.3260E+01 Irreps are as follows: mode # 17 ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3797E+01 Irreps are as follows: mode # 18 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99997 0.00000 ) ( 0.00685 0.00447 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.5019E+01 Irreps are as follows: mode # 1 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99887 0.00000 ) ( -0.04759 0.00107 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2858E+01 Irreps are as follows: mode # 2 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2533E+01 Irreps are as follows: mode # 3 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99779 0.00000 ) ( 0.05923 -0.03011 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2342E+01 Irreps are as follows: mode # 4 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99975 -0.00000 ) ( 0.01104 0.01945 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1713E+01 Irreps are as follows: mode # 5 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3745E+00 Irreps are as follows: mode # 6 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2718E-01 Irreps are as follows: mode # 7 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2603E-01 Irreps are as follows: mode # 8 ( 0.00000 0.00000 ) ( -0.01557 0.00000 ) ( -0.88938 -0.45690 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1035E-01 Irreps are as follows: mode # 9 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04761 0.00000 ) ( 0.99861 -0.02245 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8194E-02 Irreps are as follows: mode # 10 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04201 -0.00000 ) ( 0.99701 0.06484 ) autoval = -.8234E-03 Irreps are as follows: mode # 11 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.06644 0.00000 ) ( -0.88942 0.45223 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.2195E-02 Irreps are as follows: mode # 12 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.00818 -0.00000 ) ( -0.83742 -0.54650 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3210E-02 Irreps are as follows: mode # 13 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.02237 0.00000 ) ( -0.49333 -0.86955 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.9531E+00 Irreps are as follows: mode # 14 ( 0.00000 0.00000 ) ( -0.99988 0.00000 ) ( 0.01385 0.00712 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.1576E+01 Irreps are as follows: mode # 15 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3127E+01 Irreps are as follows: mode # 16 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99912 -0.00000 ) ( -0.04192 -0.00273 ) autoval = 0.3260E+01 Irreps are as follows: mode # 17 ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3797E+01 Irreps are as follows: mode # 18 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99997 0.00000 ) ( 0.00685 0.00447 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.5019E+01 Irreps are as follows: mode # 1 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99887 0.00000 ) ( -0.04759 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2858E+01 Irreps are as follows: mode # 2 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2531E+01 Irreps are as follows: mode # 3 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99824 0.00000 ) ( 0.05931 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2341E+01 Irreps are as follows: mode # 4 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99994 0.00000 ) ( 0.01104 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1713E+01 Irreps are as follows: mode # 5 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3745E+00 Irreps are as follows: mode # 6 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2718E-01 Irreps are as follows: mode # 7 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.2598E-01 Irreps are as follows: mode # 8 ( 0.00000 0.00000 ) ( -0.01385 0.00000 ) ( -0.99990 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1036E-01 Irreps are as follows: mode # 9 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04759 0.00000 ) ( 0.99887 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8170E-02 Irreps are as follows: mode # 10 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04192 0.00000 ) ( 0.99912 0.00000 ) autoval = -.3112E-02 Irreps are as follows: mode # 11 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.05931 0.00000 ) ( -0.99824 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.2270E-02 Irreps are as follows: mode # 12 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.00685 0.00000 ) ( -0.99998 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.2323E-02 Irreps are as follows: mode # 13 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.01104 0.00000 ) ( -0.99994 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.9530E+00 Irreps are as follows: mode # 14 ( 0.00000 0.00000 ) ( -0.99990 0.00000 ) ( 0.01385 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.1576E+01 Irreps are as follows: mode # 15 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3127E+01 Irreps are as follows: mode # 16 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99912 0.00000 ) ( -0.04192 0.00000 ) autoval = 0.3260E+01 Irreps are as follows: mode # 17 ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3796E+01 Irreps are as follows: mode # 18 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.99998 0.00000 ) ( 0.00685 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.6688E+01 Irreps are as follows: mode # 1 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.55089 0.00000 ) ( -0.83305 -0.03285 ) ( -0.03815 0.00321 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3974E+01 Irreps are as follows: mode # 2 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.45419 0.00000 ) ( -0.51207 0.72794 ) ( -0.00269 -0.03998 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3464E+01 Irreps are as follows: mode # 3 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.49630 0.00000 ) ( -0.50252 0.70750 ) ( 0.01651 0.01823 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1889E+01 Irreps are as follows: mode # 4 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.98238 0.00000 ) ( -0.16509 -0.07327 ) ( -0.02230 -0.04252 ) autoval = -.1191E+01 Irreps are as follows: mode # 5 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.83395 0.00000 ) ( 0.54901 0.01995 ) ( 0.03972 0.03361 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1051E+01 Irreps are as follows: mode # 6 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.93362 0.00000 ) ( 0.33593 -0.08419 ) ( -0.00106 0.09175 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3096E-01 Irreps are as follows: mode # 7 ( -0.03940 0.00000 ) ( 0.01825 0.00650 ) ( 0.99850 0.03274 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8717E-02 Irreps are as follows: mode # 8 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.03223 0.00000 ) ( 0.03318 0.04509 ) ( -0.37566 -0.92450 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8408E-02 Irreps are as follows: mode # 9 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.03990 0.00000 ) ( -0.03045 -0.00103 ) ( -0.50974 0.85886 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.4956E-02 Irreps are as follows: mode # 10 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.07055 0.00000 ) ( 0.05155 -0.03417 ) ( -0.17067 0.98085 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.4943E-02 Irreps are as follows: mode # 11 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04044 0.00000 ) ( -0.02900 -0.04282 ) ( 0.36983 0.92678 ) autoval = 0.1102E-01 Irreps are as follows: mode # 12 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.08406 0.00000 ) ( 0.03411 -0.01652 ) ( -0.01765 -0.99558 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.9030E+00 Irreps are as follows: mode # 13 ( -0.14367 0.00000 ) ( 0.30021 0.94271 ) ( -0.01677 -0.01583 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.1103E+01 Irreps are as follows: mode # 14 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.86528 0.00000 ) ( 0.28403 -0.40302 ) ( 0.00445 -0.09043 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3025E+01 Irreps are as follows: mode # 15 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.89001 0.00000 ) ( 0.26268 -0.37143 ) ( 0.02423 -0.01810 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3299E+01 Irreps are as follows: mode # 16 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.18246 0.00000 ) ( 0.89526 0.40399 ) ( 0.03811 0.02351 ) autoval = 0.3315E+01 Irreps are as follows: mode # 17 ( -0.98884 -0.00000 ) ( -0.04434 -0.13722 ) ( -0.03735 0.00100 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.4464E+01 Irreps are as follows: mode # 18 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.34826 0.00000 ) ( -0.90878 0.22967 ) ( 0.00711 -0.00567 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.6688E+01 Irreps are as follows: mode # 1 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.55089 0.00000 ) ( -0.83305 -0.03285 ) ( -0.03815 0.00321 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3974E+01 Irreps are as follows: mode # 2 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.45419 0.00000 ) ( -0.51207 0.72794 ) ( -0.00269 -0.03998 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3464E+01 Irreps are as follows: mode # 3 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.49630 0.00000 ) ( -0.50252 0.70750 ) ( 0.01651 0.01823 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1889E+01 Irreps are as follows: mode # 4 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.98238 0.00000 ) ( -0.16509 -0.07327 ) ( -0.02230 -0.04252 ) autoval = -.1191E+01 Irreps are as follows: mode # 5 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.83395 0.00000 ) ( 0.54901 0.01995 ) ( 0.03972 0.03361 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1051E+01 Irreps are as follows: mode # 6 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.93362 0.00000 ) ( 0.33593 -0.08419 ) ( -0.00106 0.09175 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3096E-01 Irreps are as follows: mode # 7 ( -0.03940 0.00000 ) ( 0.01825 0.00650 ) ( 0.99850 0.03274 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8717E-02 Irreps are as follows: mode # 8 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.03223 0.00000 ) ( 0.03318 0.04509 ) ( -0.37566 -0.92450 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8408E-02 Irreps are as follows: mode # 9 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.03990 0.00000 ) ( -0.03045 -0.00103 ) ( -0.50974 0.85886 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.4956E-02 Irreps are as follows: mode # 10 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.07055 0.00000 ) ( 0.05155 -0.03417 ) ( -0.17067 0.98085 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.4943E-02 Irreps are as follows: mode # 11 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04044 0.00000 ) ( -0.02900 -0.04282 ) ( 0.36983 0.92678 ) autoval = 0.1102E-01 Irreps are as follows: mode # 12 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.08406 0.00000 ) ( 0.03411 -0.01652 ) ( -0.01765 -0.99558 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.9030E+00 Irreps are as follows: mode # 13 ( -0.14367 0.00000 ) ( 0.30021 0.94271 ) ( -0.01677 -0.01583 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.1103E+01 Irreps are as follows: mode # 14 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.86528 0.00000 ) ( 0.28403 -0.40302 ) ( 0.00445 -0.09043 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3025E+01 Irreps are as follows: mode # 15 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.89001 0.00000 ) ( 0.26268 -0.37143 ) ( 0.02423 -0.01810 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3299E+01 Irreps are as follows: mode # 16 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.18246 0.00000 ) ( 0.89526 0.40399 ) ( 0.03811 0.02351 ) autoval = 0.3315E+01 Irreps are as follows: mode # 17 ( -0.98884 -0.00000 ) ( -0.04434 -0.13722 ) ( -0.03735 0.00100 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.4464E+01 Irreps are as follows: mode # 18 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.34826 0.00000 ) ( -0.90878 0.22967 ) ( 0.00711 -0.00567 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.6688E+01 Irreps are as follows: mode # 1 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.55089 0.00000 ) ( -0.83305 -0.03285 ) ( -0.03815 0.00321 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3974E+01 Irreps are as follows: mode # 2 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.45419 0.00000 ) ( -0.51207 0.72794 ) ( -0.00269 -0.03998 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3464E+01 Irreps are as follows: mode # 3 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.49630 0.00000 ) ( -0.50252 0.70750 ) ( 0.01651 0.01823 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1889E+01 Irreps are as follows: mode # 4 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.98238 0.00000 ) ( -0.16509 -0.07327 ) ( -0.02230 -0.04252 ) autoval = -.1191E+01 Irreps are as follows: mode # 5 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.83395 0.00000 ) ( 0.54901 0.01995 ) ( 0.03972 0.03361 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1051E+01 Irreps are as follows: mode # 6 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.93362 0.00000 ) ( 0.33593 -0.08419 ) ( -0.00106 0.09175 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3096E-01 Irreps are as follows: mode # 7 ( -0.03940 0.00000 ) ( 0.01825 0.00650 ) ( 0.99850 0.03274 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8717E-02 Irreps are as follows: mode # 8 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.03223 0.00000 ) ( 0.03318 0.04509 ) ( -0.37566 -0.92450 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8408E-02 Irreps are as follows: mode # 9 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.03990 0.00000 ) ( -0.03045 -0.00103 ) ( -0.50974 0.85886 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.4956E-02 Irreps are as follows: mode # 10 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.07055 0.00000 ) ( 0.05155 -0.03417 ) ( -0.17067 0.98085 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.4943E-02 Irreps are as follows: mode # 11 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04044 0.00000 ) ( -0.02900 -0.04282 ) ( 0.36983 0.92678 ) autoval = 0.1102E-01 Irreps are as follows: mode # 12 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.08406 0.00000 ) ( 0.03411 -0.01652 ) ( -0.01765 -0.99558 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.9030E+00 Irreps are as follows: mode # 13 ( -0.14367 0.00000 ) ( 0.30021 0.94271 ) ( -0.01677 -0.01583 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.1103E+01 Irreps are as follows: mode # 14 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.86528 0.00000 ) ( 0.28403 -0.40302 ) ( 0.00445 -0.09043 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3025E+01 Irreps are as follows: mode # 15 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.89001 0.00000 ) ( 0.26268 -0.37143 ) ( 0.02423 -0.01810 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3299E+01 Irreps are as follows: mode # 16 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.18246 0.00000 ) ( 0.89526 0.40399 ) ( 0.03811 0.02351 ) autoval = 0.3315E+01 Irreps are as follows: mode # 17 ( -0.98884 -0.00000 ) ( -0.04434 -0.13722 ) ( -0.03735 0.00100 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.4464E+01 Irreps are as follows: mode # 18 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.34826 0.00000 ) ( -0.90878 0.22967 ) ( 0.00711 -0.00567 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.6688E+01 Irreps are as follows: mode # 1 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.55089 0.00000 ) ( -0.83305 -0.03285 ) ( -0.03815 0.00321 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3974E+01 Irreps are as follows: mode # 2 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.45419 0.00000 ) ( -0.51207 0.72794 ) ( -0.00269 -0.03998 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3464E+01 Irreps are as follows: mode # 3 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.49630 0.00000 ) ( -0.50252 0.70750 ) ( 0.01651 0.01823 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1889E+01 Irreps are as follows: mode # 4 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.98238 0.00000 ) ( -0.16509 -0.07327 ) ( -0.02230 -0.04252 ) autoval = -.1191E+01 Irreps are as follows: mode # 5 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.83395 0.00000 ) ( 0.54901 0.01995 ) ( 0.03972 0.03361 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1051E+01 Irreps are as follows: mode # 6 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.93362 0.00000 ) ( 0.33593 -0.08419 ) ( -0.00106 0.09175 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3096E-01 Irreps are as follows: mode # 7 ( -0.03940 0.00000 ) ( 0.01825 0.00650 ) ( 0.99850 0.03274 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8717E-02 Irreps are as follows: mode # 8 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.03223 0.00000 ) ( 0.03318 0.04509 ) ( -0.37566 -0.92450 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8408E-02 Irreps are as follows: mode # 9 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.03990 0.00000 ) ( -0.03045 -0.00103 ) ( -0.50974 0.85886 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.4956E-02 Irreps are as follows: mode # 10 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.07055 0.00000 ) ( 0.05155 -0.03417 ) ( -0.17067 0.98085 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.4943E-02 Irreps are as follows: mode # 11 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04044 0.00000 ) ( -0.02900 -0.04282 ) ( 0.36983 0.92678 ) autoval = 0.1102E-01 Irreps are as follows: mode # 12 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.08406 0.00000 ) ( 0.03411 -0.01652 ) ( -0.01765 -0.99558 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.9030E+00 Irreps are as follows: mode # 13 ( -0.14367 0.00000 ) ( 0.30021 0.94271 ) ( -0.01677 -0.01583 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.1103E+01 Irreps are as follows: mode # 14 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.86528 0.00000 ) ( 0.28403 -0.40302 ) ( 0.00445 -0.09043 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3025E+01 Irreps are as follows: mode # 15 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.89001 0.00000 ) ( 0.26268 -0.37143 ) ( 0.02423 -0.01810 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3299E+01 Irreps are as follows: mode # 16 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.18246 0.00000 ) ( 0.89526 0.40399 ) ( 0.03811 0.02351 ) autoval = 0.3315E+01 Irreps are as follows: mode # 17 ( -0.98884 -0.00000 ) ( -0.04434 -0.13722 ) ( -0.03735 0.00100 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.4464E+01 Irreps are as follows: mode # 18 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.34826 0.00000 ) ( -0.90878 0.22967 ) ( 0.00711 -0.00567 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.6688E+01 Irreps are as follows: mode # 1 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.55089 0.00000 ) ( -0.83305 -0.03285 ) ( -0.03815 0.00321 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3974E+01 Irreps are as follows: mode # 2 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.45419 0.00000 ) ( -0.51207 0.72794 ) ( -0.00269 -0.03998 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3464E+01 Irreps are as follows: mode # 3 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.49630 0.00000 ) ( -0.50252 0.70750 ) ( 0.01651 0.01823 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1889E+01 Irreps are as follows: mode # 4 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.98238 0.00000 ) ( -0.16509 -0.07327 ) ( -0.02230 -0.04252 ) autoval = -.1191E+01 Irreps are as follows: mode # 5 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.83395 0.00000 ) ( 0.54901 0.01995 ) ( 0.03972 0.03361 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.1051E+01 Irreps are as follows: mode # 6 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.93362 0.00000 ) ( 0.33593 -0.08419 ) ( -0.00106 0.09175 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.3096E-01 Irreps are as follows: mode # 7 ( -0.03940 0.00000 ) ( 0.01825 0.00650 ) ( 0.99850 0.03274 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8717E-02 Irreps are as follows: mode # 8 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.03223 0.00000 ) ( 0.03318 0.04509 ) ( -0.37566 -0.92450 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.8408E-02 Irreps are as follows: mode # 9 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.03990 0.00000 ) ( -0.03045 -0.00103 ) ( -0.50974 0.85886 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.4956E-02 Irreps are as follows: mode # 10 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.07055 0.00000 ) ( 0.05155 -0.03417 ) ( -0.17067 0.98085 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = -.4943E-02 Irreps are as follows: mode # 11 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.04044 0.00000 ) ( -0.02900 -0.04282 ) ( 0.36983 0.92678 ) autoval = 0.1102E-01 Irreps are as follows: mode # 12 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.08406 0.00000 ) ( 0.03411 -0.01652 ) ( -0.01765 -0.99558 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.9030E+00 Irreps are as follows: mode # 13 ( -0.14367 0.00000 ) ( 0.30021 0.94271 ) ( -0.01677 -0.01583 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.1103E+01 Irreps are as follows: mode # 14 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.86528 0.00000 ) ( 0.28403 -0.40302 ) ( 0.00445 -0.09043 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3025E+01 Irreps are as follows: mode # 15 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.89001 0.00000 ) ( 0.26268 -0.37143 ) ( 0.02423 -0.01810 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.3299E+01 Irreps are as follows: mode # 16 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.18246 0.00000 ) ( 0.89526 0.40399 ) ( 0.03811 0.02351 ) autoval = 0.3315E+01 Irreps are as follows: mode # 17 ( -0.98884 -0.00000 ) ( -0.04434 -0.13722 ) ( -0.03735 0.00100 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) autoval = 0.4464E+01 Irreps are as follows: mode # 18 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.34826 0.00000 ) ( -0.90878 0.22967 ) ( 0.00711 -0.00567 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Saving dvscf to file. Distribute only q points, not irreducible represetations. Calculation of q = 0.0000000 0.0000000 0.0000000 default bravais-lattice index = 0 lattice parameter (alat) = 7.3987 a.u. unit-cell volume = 3583.4194 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 4 kinetic-energy cut-off = 120.0000 Ry charge density cut-off = 960.0000 Ry convergence threshold = 1.0E-16 beta = 0.7000 number of iterations used = 12 Exchange-correlation= VDW-DF3-OPT1 ( 1 4 45 0 3 0 0) celldm(1)= 7.39868 celldm(2)= 0.00000 celldm(3)= 0.00000 celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.0000 0.0000 0.0000 ) a(2) = ( -0.5000 0.8660 0.0000 ) a(3) = ( 0.0000 0.0000 10.2166 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.0000 0.5774 0.0000 ) b(2) = ( 0.0000 1.1547 0.0000 ) b(3) = ( 0.0000 0.0000 0.0979 ) Atoms inside the unit cell: Cartesian axes site n. atom mass positions (alat units) 1 Sr 87.6200 tau( 1) = ( -0.00000 0.57735 4.96384 ) 2 Sr 87.6200 tau( 2) = ( 0.50000 0.28868 4.28013 ) 3 Sn 118.7100 tau( 3) = ( -0.00000 0.57735 5.97533 ) 4 Se 78.9710 tau( 4) = ( 0.00000 0.00000 6.36490 ) 5 Se 78.9710 tau( 5) = ( 0.50000 0.28868 5.51263 ) 6 N 14.0070 tau( 6) = ( 0.00000 0.00000 4.57298 ) Computing dynamical matrix for q = ( 0.0000000 0.0000000 0.0000000 ) 7 Sym.Ops. (with q -> -q+G ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,1] cryst. s( 4) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) This transformation sends q -> -q+G isym = 7 identity cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) G cutoff = 1331.1275 ( 112523 G-vectors) FFT grid: ( 75, 75,750) G cutoff = 665.5637 ( 39797 G-vectors) smooth grid: ( 54, 54,540) number of k points= 30 Gaussian smearing, width (Ry)= 0.0037 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0078125 k( 2) = ( 0.0000000 0.0721688 0.0000000), wk = 0.0468750 k( 3) = ( 0.0000000 0.1443376 0.0000000), wk = 0.0468750 k( 4) = ( 0.0000000 0.2165064 0.0000000), wk = 0.0468750 k( 5) = ( 0.0000000 0.2886751 0.0000000), wk = 0.0468750 k( 6) = ( 0.0000000 0.3608439 0.0000000), wk = 0.0468750 k( 7) = ( 0.0000000 0.4330127 0.0000000), wk = 0.0468750 k( 8) = ( 0.0000000 0.5051815 0.0000000), wk = 0.0468750 k( 9) = ( 0.0000000 -0.5773503 0.0000000), wk = 0.0234375 k( 10) = ( 0.0625000 0.1082532 0.0000000), wk = 0.0468750 k( 11) = ( 0.0625000 0.1804220 0.0000000), wk = 0.0937500 k( 12) = ( 0.0625000 0.2525907 0.0000000), wk = 0.0937500 k( 13) = ( 0.0625000 0.3247595 0.0000000), wk = 0.0937500 k( 14) = ( 0.0625000 0.3969283 0.0000000), wk = 0.0937500 k( 15) = ( 0.0625000 0.4690971 0.0000000), wk = 0.0937500 k( 16) = ( 0.0625000 0.5412659 0.0000000), wk = 0.0937500 k( 17) = ( 0.1250000 0.2165064 0.0000000), wk = 0.0468750 k( 18) = ( 0.1250000 0.2886751 0.0000000), wk = 0.0937500 k( 19) = ( 0.1250000 0.3608439 0.0000000), wk = 0.0937500 k( 20) = ( 0.1250000 0.4330127 0.0000000), wk = 0.0937500 k( 21) = ( 0.1250000 0.5051815 0.0000000), wk = 0.0937500 k( 22) = ( 0.1250000 0.5773503 0.0000000), wk = 0.0468750 k( 23) = ( 0.1875000 0.3247595 0.0000000), wk = 0.0468750 k( 24) = ( 0.1875000 0.3969283 0.0000000), wk = 0.0937500 k( 25) = ( 0.1875000 0.4690971 0.0000000), wk = 0.0937500 k( 26) = ( 0.1875000 0.5412659 0.0000000), wk = 0.0937500 k( 27) = ( 0.2500000 0.4330127 0.0000000), wk = 0.0468750 k( 28) = ( 0.2500000 0.5051815 0.0000000), wk = 0.0937500 k( 29) = ( 0.2500000 0.5773503 0.0000000), wk = 0.0468750 k( 30) = ( 0.3125000 0.5412659 0.0000000), wk = 0.0468750 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0078125 k( 2) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0468750 k( 3) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0468750 k( 4) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0468750 k( 5) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0468750 k( 6) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0468750 k( 7) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0468750 k( 8) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0468750 k( 9) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0234375 k( 10) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0468750 k( 11) = ( 0.0625000 0.1250000 0.0000000), wk = 0.0937500 k( 12) = ( 0.0625000 0.1875000 0.0000000), wk = 0.0937500 k( 13) = ( 0.0625000 0.2500000 0.0000000), wk = 0.0937500 k( 14) = ( 0.0625000 0.3125000 0.0000000), wk = 0.0937500 k( 15) = ( 0.0625000 0.3750000 0.0000000), wk = 0.0937500 k( 16) = ( 0.0625000 0.4375000 0.0000000), wk = 0.0937500 k( 17) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0468750 k( 18) = ( 0.1250000 0.1875000 0.0000000), wk = 0.0937500 k( 19) = ( 0.1250000 0.2500000 0.0000000), wk = 0.0937500 k( 20) = ( 0.1250000 0.3125000 0.0000000), wk = 0.0937500 k( 21) = ( 0.1250000 0.3750000 0.0000000), wk = 0.0937500 k( 22) = ( 0.1250000 0.4375000 0.0000000), wk = 0.0468750 k( 23) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0468750 k( 24) = ( 0.1875000 0.2500000 0.0000000), wk = 0.0937500 k( 25) = ( 0.1875000 0.3125000 0.0000000), wk = 0.0937500 k( 26) = ( 0.1875000 0.3750000 0.0000000), wk = 0.0937500 k( 27) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0468750 k( 28) = ( 0.2500000 0.3125000 0.0000000), wk = 0.0937500 k( 29) = ( 0.2500000 0.3750000 0.0000000), wk = 0.0468750 k( 30) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0468750 PseudoPot. # 1 for Sr read from file: <赝势库路径>/Sr.pbe-spn-kjpaw_psl.1.0.0.UPF MD5 check sum: 750ea264445b2625d3db8e9d3ce3615c Pseudo is Projector augmented-wave + core cor, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9392 Shape of augmentation charge: PSQ Using radial grid of 1221 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: <赝势库路径>/N.pbe-n-kjpaw_psl.1.0.0.UPF MD5 check sum: d847c2e69cedab5e67c4110041e7367b Pseudo is Projector augmented-wave + core cor, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9392 Shape of augmentation charge: PSQ Using radial grid of 1085 points, 4 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sn read from file: <赝势库路径>/Sn.pbe-dn-kjpaw_psl.1.0.0.UPF MD5 check sum: 8296d6e5d02f29a53917b6228a948e9b Pseudo is Projector augmented-wave + core cor, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9392 Shape of augmentation charge: PSQ Using radial grid of 1243 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Se read from file: <赝势库路径>/Se.pbe-dn-kjpaw_psl.1.0.0.UPF MD5 check sum: 76824201e6e1fd624b5a02b8d7bc85cc Pseudo is Projector augmented-wave + core cor, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9392 Shape of augmentation charge: PSQ Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients point group C_3v (3m) there are 3 classes the character table: E 2C3 3s_v A_1 1.00 1.00 1.00 A_2 1.00 1.00 -1.00 E 2.00 -1.00 0.00 the symmetry operations in each class and the name of the first element: E 1 2C3 3 4 3s_v 2 6 5 Atomic displacements: There are 12 irreducible representations Representation 1 1 modes - To be done Irreps are as follows: mode # 1 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 2 1 modes - To be done Irreps are as follows: mode # 2 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 3 1 modes - To be done Irreps are as follows: mode # 3 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 4 1 modes - To be done Irreps are as follows: mode # 4 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) Representation 5 1 modes - To be done Irreps are as follows: mode # 5 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 6 1 modes - To be done Irreps are as follows: mode # 6 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 7 2 modes - To be done Irreps are as follows: mode # 7 mode # 8 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.00000 0.00000 ) ( -1.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 8 2 modes - To be done Irreps are as follows: mode # 9 mode # 10 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.00000 0.00000 ) ( -1.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 9 2 modes - To be done Irreps are as follows: mode # 11 mode # 12 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 1.00000 0.00000 ) ( -0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 10 2 modes - To be done Irreps are as follows: mode # 13 mode # 14 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( -0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 11 2 modes - To be done Irreps are as follows: mode # 15 mode # 16 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( -0.00000 0.00000 ) ( -0.00000 0.00000 ) ( 1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 12 2 modes - To be done Irreps are as follows: mode # 17 mode # 18 ( -1.00000 0.00000 ) ( -0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Alpha used in Ewald sum = 2.8000 negative rho (up, down): 3.710E-05 0.000E+00 ----------------------------------------------- Non-local corr. energy = 1.46676082 Ry ----------------------------------------------- PHONON : 2m42.11s CPU 2m44.00s WALL Representation # 1 mode # 1 Self-consistent Calculation Pert. # 1: Fermi energy shift (Ry) = 2.3174E-01 0.0000E+00 iter # 1 total cpu time : 206.5 secs av.it.: 5.4 thresh= 1.000E-02 alpha_mix = 0.700 |ddv_scf|^2 = 1.884E-04 Pert. # 1: Fermi energy shift (Ry) = -4.6446E+00 0.0000E+00 iter # 2 total cpu time : 271.4 secs av.it.: 12.8 thresh= 1.372E-03 alpha_mix = 0.700 |ddv_scf|^2 = 9.325E-02 Pert. # 1: Fermi energy shift (Ry) = -1.1181E+00 0.0000E+00 iter # 3 total cpu time : 324.6 secs av.it.: 9.7 thresh= 1.000E-02 alpha_mix = 0.700 |ddv_scf|^2 = 5.729E-05