----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:05:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.955742190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.898566890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.350983629999998 Atomic positions (fractional): *1 O 0.96271347501117 0.25000000000000 0.82891656579186 15.999 2 O 0.03728652498883 0.75000000000000 0.17108343420814 15.999 3 O 0.46271347501117 0.25000000000000 0.67108343420814 15.999 4 O 0.53728652498883 0.75000000000000 0.32891656579186 15.999 *5 O 0.71881785839883 0.25000000000000 0.72866333929085 15.999 6 O 0.28118214160117 0.75000000000000 0.27133666070915 15.999 7 O 0.21881785839883 0.25000000000000 0.77133666070915 15.999 8 O 0.78118214160117 0.75000000000000 0.22866333929085 15.999 *9 O 0.75976755425856 0.75000000000000 0.87622117080001 15.999 10 O 0.24023244574144 0.25000000000000 0.12377882919999 15.999 11 O 0.25976755425856 0.75000000000000 0.62377882919999 15.999 12 O 0.74023244574144 0.25000000000000 0.37622117080001 15.999 *13 O 0.50861600990729 0.25000000000000 0.10137530595514 15.999 14 O 0.49138399009271 0.75000000000000 0.89862469404486 15.999 15 O 0.00861600990729 0.25000000000000 0.39862469404486 15.999 16 O 0.99138399009271 0.75000000000000 0.60137530595514 15.999 *17 O 0.77355129169050 0.25000000000000 0.03536911477504 15.999 18 O 0.22644870830950 0.75000000000000 0.96463088522496 15.999 19 O 0.27355129169050 0.25000000000000 0.46463088522496 15.999 20 O 0.72644870830950 0.75000000000000 0.53536911477504 15.999 *21 Ti 0.80628947672905 0.25000000000000 0.87246109469467 47.867 22 Ti 0.19371052327095 0.75000000000000 0.12753890530533 47.867 23 Ti 0.30628947672905 0.25000000000000 0.62753890530533 47.867 24 Ti 0.69371052327095 0.75000000000000 0.37246109469467 47.867 *25 La 0.59634693689296 0.75000000000000 0.71647001021977 138.905 26 La 0.40365306310705 0.25000000000000 0.28352998978022 138.905 27 La 0.09634693689295 0.75000000000000 0.78352998978023 138.905 28 La 0.90365306310704 0.25000000000000 0.21647001021977 138.905 *29 La 0.86397521412761 0.25000000000000 0.56113512588612 138.905 30 La 0.13602478587239 0.75000000000000 0.43886487411388 138.905 31 La 0.36397521412760 0.25000000000000 0.93886487411388 138.905 32 La 0.63602478587239 0.75000000000000 0.06113512588612 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.955742190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.898566890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.350983629999998 Atomic positions (fractional): *1 O 0.96271347501117 0.25000000000000 0.82891656579186 15.999 > 1 2 O 0.03728652498883 0.75000000000000 0.17108343420814 15.999 > 2 3 O 0.46271347501117 0.25000000000000 0.67108343420814 15.999 > 3 4 O 0.53728652498883 0.75000000000000 0.32891656579186 15.999 > 4 *5 O 0.71881785839883 0.25000000000000 0.72866333929085 15.999 > 5 6 O 0.28118214160117 0.75000000000000 0.27133666070915 15.999 > 6 7 O 0.21881785839883 0.25000000000000 0.77133666070915 15.999 > 7 8 O 0.78118214160117 0.75000000000000 0.22866333929085 15.999 > 8 *9 O 0.75976755425856 0.75000000000000 0.87622117080001 15.999 > 9 10 O 0.24023244574144 0.25000000000000 0.12377882919999 15.999 > 10 11 O 0.25976755425856 0.75000000000000 0.62377882919999 15.999 > 11 12 O 0.74023244574144 0.25000000000000 0.37622117080001 15.999 > 12 *13 O 0.50861600990729 0.25000000000000 0.10137530595514 15.999 > 13 14 O 0.49138399009271 0.75000000000000 0.89862469404486 15.999 > 14 15 O 0.00861600990729 0.25000000000000 0.39862469404486 15.999 > 15 16 O 0.99138399009271 0.75000000000000 0.60137530595514 15.999 > 16 *17 O 0.77355129169050 0.25000000000000 0.03536911477504 15.999 > 17 18 O 0.22644870830950 0.75000000000000 0.96463088522496 15.999 > 18 19 O 0.27355129169050 0.25000000000000 0.46463088522496 15.999 > 19 20 O 0.72644870830950 0.75000000000000 0.53536911477504 15.999 > 20 *21 Ti 0.80628947672905 0.25000000000000 0.87246109469467 47.867 > 21 22 Ti 0.19371052327095 0.75000000000000 0.12753890530533 47.867 > 22 23 Ti 0.30628947672905 0.25000000000000 0.62753890530533 47.867 > 23 24 Ti 0.69371052327095 0.75000000000000 0.37246109469467 47.867 > 24 *25 La 0.59634693689296 0.75000000000000 0.71647001021977 138.905 > 25 26 La 0.40365306310705 0.25000000000000 0.28352998978022 138.905 > 26 27 La 0.09634693689295 0.75000000000000 0.78352998978023 138.905 > 27 28 La 0.90365306310704 0.25000000000000 0.21647001021977 138.905 > 28 *29 La 0.86397521412761 0.25000000000000 0.56113512588612 138.905 > 29 30 La 0.13602478587239 0.75000000000000 0.43886487411388 138.905 > 30 31 La 0.36397521412760 0.25000000000000 0.93886487411388 138.905 > 31 32 La 0.63602478587239 0.75000000000000 0.06113512588612 138.905 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.955742190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.695700670000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.350983629999998 Atomic positions (fractional): *1 O 0.96271347501117 0.08333333333333 0.82891656579186 15.999 > 1 2 O 0.96271347501117 0.41666666666667 0.82891656579186 15.999 > 1 3 O 0.96271347501117 0.75000000000000 0.82891656579186 15.999 > 1 4 O 0.03728652498883 0.25000000000000 0.17108343420814 15.999 > 2 5 O 0.03728652498883 0.58333333333333 0.17108343420814 15.999 > 2 6 O 0.03728652498883 0.91666666666667 0.17108343420814 15.999 > 2 7 O 0.46271347501117 0.08333333333333 0.67108343420814 15.999 > 3 8 O 0.46271347501117 0.41666666666667 0.67108343420814 15.999 > 3 9 O 0.46271347501117 0.75000000000000 0.67108343420814 15.999 > 3 10 O 0.53728652498883 0.25000000000000 0.32891656579186 15.999 > 4 11 O 0.53728652498883 0.58333333333333 0.32891656579186 15.999 > 4 12 O 0.53728652498883 0.91666666666667 0.32891656579186 15.999 > 4 *13 O 0.71881785839883 0.08333333333333 0.72866333929085 15.999 > 5 14 O 0.71881785839883 0.41666666666667 0.72866333929085 15.999 > 5 15 O 0.71881785839883 0.75000000000000 0.72866333929085 15.999 > 5 16 O 0.28118214160117 0.25000000000000 0.27133666070915 15.999 > 6 17 O 0.28118214160117 0.58333333333333 0.27133666070915 15.999 > 6 18 O 0.28118214160117 0.91666666666667 0.27133666070915 15.999 > 6 19 O 0.21881785839883 0.08333333333333 0.77133666070915 15.999 > 7 20 O 0.21881785839883 0.41666666666667 0.77133666070915 15.999 > 7 21 O 0.21881785839883 0.75000000000000 0.77133666070915 15.999 > 7 22 O 0.78118214160117 0.25000000000000 0.22866333929085 15.999 > 8 23 O 0.78118214160117 0.58333333333333 0.22866333929085 15.999 > 8 24 O 0.78118214160117 0.91666666666667 0.22866333929085 15.999 > 8 *25 O 0.75976755425856 0.25000000000000 0.87622117080001 15.999 > 9 26 O 0.75976755425856 0.58333333333333 0.87622117080001 15.999 > 9 27 O 0.75976755425856 0.91666666666667 0.87622117080001 15.999 > 9 28 O 0.24023244574144 0.08333333333333 0.12377882919999 15.999 > 10 29 O 0.24023244574144 0.41666666666667 0.12377882919999 15.999 > 10 30 O 0.24023244574144 0.75000000000000 0.12377882919999 15.999 > 10 31 O 0.25976755425856 0.25000000000000 0.62377882919999 15.999 > 11 32 O 0.25976755425856 0.58333333333333 0.62377882919999 15.999 > 11 33 O 0.25976755425856 0.91666666666667 0.62377882919999 15.999 > 11 34 O 0.74023244574144 0.08333333333333 0.37622117080001 15.999 > 12 35 O 0.74023244574144 0.41666666666667 0.37622117080001 15.999 > 12 36 O 0.74023244574144 0.75000000000000 0.37622117080001 15.999 > 12 *37 O 0.50861600990729 0.08333333333333 0.10137530595514 15.999 > 13 38 O 0.50861600990729 0.41666666666667 0.10137530595514 15.999 > 13 39 O 0.50861600990729 0.75000000000000 0.10137530595514 15.999 > 13 40 O 0.49138399009271 0.25000000000000 0.89862469404486 15.999 > 14 41 O 0.49138399009271 0.58333333333333 0.89862469404486 15.999 > 14 42 O 0.49138399009271 0.91666666666667 0.89862469404486 15.999 > 14 43 O 0.00861600990729 0.08333333333333 0.39862469404486 15.999 > 15 44 O 0.00861600990729 0.41666666666667 0.39862469404486 15.999 > 15 45 O 0.00861600990729 0.75000000000000 0.39862469404486 15.999 > 15 46 O 0.99138399009271 0.25000000000000 0.60137530595514 15.999 > 16 47 O 0.99138399009271 0.58333333333333 0.60137530595514 15.999 > 16 48 O 0.99138399009271 0.91666666666667 0.60137530595514 15.999 > 16 *49 O 0.77355129169050 0.08333333333333 0.03536911477504 15.999 > 17 50 O 0.77355129169050 0.41666666666667 0.03536911477504 15.999 > 17 51 O 0.77355129169050 0.75000000000000 0.03536911477504 15.999 > 17 52 O 0.22644870830950 0.25000000000000 0.96463088522496 15.999 > 18 53 O 0.22644870830950 0.58333333333333 0.96463088522496 15.999 > 18 54 O 0.22644870830950 0.91666666666667 0.96463088522496 15.999 > 18 55 O 0.27355129169050 0.08333333333333 0.46463088522496 15.999 > 19 56 O 0.27355129169050 0.41666666666667 0.46463088522496 15.999 > 19 57 O 0.27355129169050 0.75000000000000 0.46463088522496 15.999 > 19 58 O 0.72644870830950 0.25000000000000 0.53536911477504 15.999 > 20 59 O 0.72644870830950 0.58333333333333 0.53536911477504 15.999 > 20 60 O 0.72644870830950 0.91666666666667 0.53536911477504 15.999 > 20 *61 Ti 0.80628947672905 0.08333333333333 0.87246109469467 47.867 > 21 62 Ti 0.80628947672905 0.41666666666667 0.87246109469467 47.867 > 21 63 Ti 0.80628947672905 0.75000000000000 0.87246109469467 47.867 > 21 64 Ti 0.19371052327095 0.25000000000000 0.12753890530533 47.867 > 22 65 Ti 0.19371052327095 0.58333333333333 0.12753890530533 47.867 > 22 66 Ti 0.19371052327095 0.91666666666667 0.12753890530533 47.867 > 22 67 Ti 0.30628947672905 0.08333333333333 0.62753890530533 47.867 > 23 68 Ti 0.30628947672905 0.41666666666667 0.62753890530533 47.867 > 23 69 Ti 0.30628947672905 0.75000000000000 0.62753890530533 47.867 > 23 70 Ti 0.69371052327095 0.25000000000000 0.37246109469467 47.867 > 24 71 Ti 0.69371052327095 0.58333333333333 0.37246109469467 47.867 > 24 72 Ti 0.69371052327095 0.91666666666667 0.37246109469467 47.867 > 24 *73 La 0.59634693689296 0.25000000000000 0.71647001021977 138.905 > 25 74 La 0.59634693689296 0.58333333333333 0.71647001021977 138.905 > 25 75 La 0.59634693689296 0.91666666666667 0.71647001021977 138.905 > 25 76 La 0.40365306310705 0.08333333333333 0.28352998978022 138.905 > 26 77 La 0.40365306310705 0.41666666666667 0.28352998978022 138.905 > 26 78 La 0.40365306310705 0.75000000000000 0.28352998978022 138.905 > 26 79 La 0.09634693689295 0.25000000000000 0.78352998978023 138.905 > 27 80 La 0.09634693689295 0.58333333333333 0.78352998978023 138.905 > 27 81 La 0.09634693689295 0.91666666666667 0.78352998978023 138.905 > 27 82 La 0.90365306310704 0.08333333333333 0.21647001021977 138.905 > 28 83 La 0.90365306310704 0.41666666666667 0.21647001021977 138.905 > 28 84 La 0.90365306310704 0.75000000000000 0.21647001021977 138.905 > 28 *85 La 0.86397521412761 0.08333333333333 0.56113512588612 138.905 > 29 86 La 0.86397521412761 0.41666666666667 0.56113512588612 138.905 > 29 87 La 0.86397521412761 0.75000000000000 0.56113512588612 138.905 > 29 88 La 0.13602478587239 0.25000000000000 0.43886487411388 138.905 > 30 89 La 0.13602478587239 0.58333333333333 0.43886487411388 138.905 > 30 90 La 0.13602478587239 0.91666666666667 0.43886487411388 138.905 > 30 91 La 0.36397521412760 0.08333333333333 0.93886487411388 138.905 > 31 92 La 0.36397521412760 0.41666666666667 0.93886487411388 138.905 > 31 93 La 0.36397521412760 0.75000000000000 0.93886487411388 138.905 > 31 94 La 0.63602478587239 0.25000000000000 0.06113512588612 138.905 > 32 95 La 0.63602478587239 0.58333333333333 0.06113512588612 138.905 > 32 96 La 0.63602478587239 0.91666666666667 0.06113512588612 138.905 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5058620 0.0000000 0.0000000 0.0000000 4.8077856 0.0000000 0.0000000 0.0000000 4.5778967 -------------------------- Born effective charges -------------------------- 1 O -3.7299501 0.0000000 0.8516133 0.0000000 -1.9133562 0.0000000 1.0423421 0.0000000 -1.3165259 2 O -3.7299501 0.0000000 0.8516133 0.0000000 -1.9133562 0.0000000 1.0423421 0.0000000 -1.3165259 3 O -3.7299501 0.0000000 -0.8516133 0.0000000 -1.9133562 0.0000000 -1.0423421 0.0000000 -1.3165259 4 O -3.7299501 0.0000000 -0.8516133 0.0000000 -1.9133562 0.0000000 -1.0423421 0.0000000 -1.3165259 5 O -2.4264309 0.0000000 -0.3462050 0.0000000 -2.6781843 0.0000000 -0.3549585 0.0000000 -2.9232518 6 O -2.4264309 0.0000000 -0.3462050 0.0000000 -2.6781843 0.0000000 -0.3549585 0.0000000 -2.9232518 7 O -2.4264309 0.0000000 0.3462050 0.0000000 -2.6781843 0.0000000 0.3549585 0.0000000 -2.9232518 8 O -2.4264309 0.0000000 0.3462050 0.0000000 -2.6781843 0.0000000 0.3549585 0.0000000 -2.9232518 9 O -1.5638130 0.0000000 -0.0042882 0.0000000 -4.3726072 0.0000000 0.1397859 0.0000000 -1.8167626 10 O -1.5638130 0.0000000 -0.0042882 0.0000000 -4.3726072 0.0000000 0.1397859 0.0000000 -1.8167626 11 O -1.5638130 0.0000000 0.0042882 0.0000000 -4.3726072 0.0000000 -0.1397859 0.0000000 -1.8167626 12 O -1.5638130 0.0000000 0.0042882 0.0000000 -4.3726072 0.0000000 -0.1397859 0.0000000 -1.8167626 13 O -2.6112361 0.0000000 0.1178245 0.0000000 -2.5703683 0.0000000 0.4592841 0.0000000 -2.6983610 14 O -2.6112361 0.0000000 0.1178245 0.0000000 -2.5703683 0.0000000 0.4592841 0.0000000 -2.6983610 15 O -2.6112361 0.0000000 -0.1178245 0.0000000 -2.5703683 0.0000000 -0.4592841 0.0000000 -2.6983610 16 O -2.6112361 0.0000000 -0.1178245 0.0000000 -2.5703683 0.0000000 -0.4592841 0.0000000 -2.6983610 17 O -1.8111252 0.0000000 0.0379462 0.0000000 -2.3416204 0.0000000 0.0962460 0.0000000 -3.8327127 18 O -1.8111252 0.0000000 0.0379462 0.0000000 -2.3416204 0.0000000 0.0962460 0.0000000 -3.8327127 19 O -1.8111252 0.0000000 -0.0379462 0.0000000 -2.3416204 0.0000000 -0.0962460 0.0000000 -3.8327127 20 O -1.8111252 0.0000000 -0.0379462 0.0000000 -2.3416204 0.0000000 -0.0962460 0.0000000 -3.8327127 21 Ti 3.4689026 0.0000000 -0.2366960 0.0000000 5.4295977 0.0000000 -0.4957649 0.0000000 4.6215248 22 Ti 3.4689026 0.0000000 -0.2366960 0.0000000 5.4295977 0.0000000 -0.4957649 0.0000000 4.6215248 23 Ti 3.4689026 0.0000000 0.2366960 0.0000000 5.4295977 0.0000000 0.4957649 0.0000000 4.6215248 24 Ti 3.4689026 0.0000000 0.2366960 0.0000000 5.4295977 0.0000000 0.4957649 0.0000000 4.6215248 25 La 4.6668692 0.0000000 -0.2948162 0.0000000 4.2185323 0.0000000 -0.5646528 0.0000000 4.1207066 26 La 4.6668692 0.0000000 -0.2948162 0.0000000 4.2185323 0.0000000 -0.5646528 0.0000000 4.1207066 27 La 4.6668692 0.0000000 0.2948162 0.0000000 4.2185323 0.0000000 0.5646528 0.0000000 4.1207066 28 La 4.6668692 0.0000000 0.2948162 0.0000000 4.2185323 0.0000000 0.5646528 0.0000000 4.1207066 29 La 4.0067834 0.0000000 -0.3447408 0.0000000 4.2280064 0.0000000 0.0465641 0.0000000 3.8453826 30 La 4.0067834 0.0000000 -0.3447408 0.0000000 4.2280064 0.0000000 0.0465641 0.0000000 3.8453826 31 La 4.0067834 0.0000000 0.3447408 0.0000000 4.2280064 0.0000000 -0.0465641 0.0000000 3.8453826 32 La 4.0067834 0.0000000 0.3447408 0.0000000 4.2280064 0.0000000 -0.0465641 0.0000000 3.8453826 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.548 Solver_block: 200 / 480 - Time: 2.557 Solver_block: 300 / 480 - Time: 2.558 Solver_block: 400 / 480 - Time: 2.594 Solver_block: 480 / 480 - Time: 2.119 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.551 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:05:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:05:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.955742190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.898566890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.350983629999998 Atomic positions (fractional): 1 O 0.96271347501117 0.25000000000000 0.82891656579186 15.999 2 O 0.03728652498883 0.75000000000000 0.17108343420814 15.999 3 O 0.46271347501117 0.25000000000000 0.67108343420814 15.999 4 O 0.53728652498883 0.75000000000000 0.32891656579186 15.999 5 O 0.71881785839883 0.25000000000000 0.72866333929085 15.999 6 O 0.28118214160117 0.75000000000000 0.27133666070915 15.999 7 O 0.21881785839883 0.25000000000000 0.77133666070915 15.999 8 O 0.78118214160117 0.75000000000000 0.22866333929085 15.999 9 O 0.75976755425856 0.75000000000000 0.87622117080001 15.999 10 O 0.24023244574144 0.25000000000000 0.12377882919999 15.999 11 O 0.25976755425856 0.75000000000000 0.62377882919999 15.999 12 O 0.74023244574144 0.25000000000000 0.37622117080001 15.999 13 O 0.50861600990729 0.25000000000000 0.10137530595514 15.999 14 O 0.49138399009271 0.75000000000000 0.89862469404486 15.999 15 O 0.00861600990729 0.25000000000000 0.39862469404486 15.999 16 O 0.99138399009271 0.75000000000000 0.60137530595514 15.999 17 O 0.77355129169050 0.25000000000000 0.03536911477504 15.999 18 O 0.22644870830950 0.75000000000000 0.96463088522496 15.999 19 O 0.27355129169050 0.25000000000000 0.46463088522496 15.999 20 O 0.72644870830950 0.75000000000000 0.53536911477504 15.999 21 Ti 0.80628947672905 0.25000000000000 0.87246109469467 47.867 22 Ti 0.19371052327095 0.75000000000000 0.12753890530533 47.867 23 Ti 0.30628947672905 0.25000000000000 0.62753890530533 47.867 24 Ti 0.69371052327095 0.75000000000000 0.37246109469467 47.867 25 La 0.59634693689296 0.75000000000000 0.71647001021977 138.905 26 La 0.40365306310705 0.25000000000000 0.28352998978022 138.905 27 La 0.09634693689295 0.75000000000000 0.78352998978023 138.905 28 La 0.90365306310704 0.25000000000000 0.21647001021977 138.905 29 La 0.86397521412761 0.25000000000000 0.56113512588612 138.905 30 La 0.13602478587239 0.75000000000000 0.43886487411388 138.905 31 La 0.36397521412760 0.25000000000000 0.93886487411388 138.905 32 La 0.63602478587239 0.75000000000000 0.06113512588612 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.955742190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.695700670000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.350983629999998 Atomic positions (fractional): 1 O 0.96271347501117 0.08333333333333 0.82891656579186 15.999 > 1 2 O 0.96271347501117 0.41666666666667 0.82891656579186 15.999 > 1 3 O 0.96271347501117 0.75000000000000 0.82891656579186 15.999 > 1 4 O 0.03728652498883 0.25000000000000 0.17108343420814 15.999 > 4 5 O 0.03728652498883 0.58333333333333 0.17108343420814 15.999 > 4 6 O 0.03728652498883 0.91666666666667 0.17108343420814 15.999 > 4 7 O 0.46271347501117 0.08333333333333 0.67108343420814 15.999 > 7 8 O 0.46271347501117 0.41666666666667 0.67108343420814 15.999 > 7 9 O 0.46271347501117 0.75000000000000 0.67108343420814 15.999 > 7 10 O 0.53728652498883 0.25000000000000 0.32891656579186 15.999 > 10 11 O 0.53728652498883 0.58333333333333 0.32891656579186 15.999 > 10 12 O 0.53728652498883 0.91666666666667 0.32891656579186 15.999 > 10 13 O 0.71881785839883 0.08333333333333 0.72866333929085 15.999 > 13 14 O 0.71881785839883 0.41666666666667 0.72866333929085 15.999 > 13 15 O 0.71881785839883 0.75000000000000 0.72866333929085 15.999 > 13 16 O 0.28118214160117 0.25000000000000 0.27133666070915 15.999 > 16 17 O 0.28118214160117 0.58333333333333 0.27133666070915 15.999 > 16 18 O 0.28118214160117 0.91666666666667 0.27133666070915 15.999 > 16 19 O 0.21881785839883 0.08333333333333 0.77133666070915 15.999 > 19 20 O 0.21881785839883 0.41666666666667 0.77133666070915 15.999 > 19 21 O 0.21881785839883 0.75000000000000 0.77133666070915 15.999 > 19 22 O 0.78118214160117 0.25000000000000 0.22866333929085 15.999 > 22 23 O 0.78118214160117 0.58333333333333 0.22866333929085 15.999 > 22 24 O 0.78118214160117 0.91666666666667 0.22866333929085 15.999 > 22 25 O 0.75976755425856 0.25000000000000 0.87622117080001 15.999 > 25 26 O 0.75976755425856 0.58333333333333 0.87622117080001 15.999 > 25 27 O 0.75976755425856 0.91666666666667 0.87622117080001 15.999 > 25 28 O 0.24023244574144 0.08333333333333 0.12377882919999 15.999 > 28 29 O 0.24023244574144 0.41666666666667 0.12377882919999 15.999 > 28 30 O 0.24023244574144 0.75000000000000 0.12377882919999 15.999 > 28 31 O 0.25976755425856 0.25000000000000 0.62377882919999 15.999 > 31 32 O 0.25976755425856 0.58333333333333 0.62377882919999 15.999 > 31 33 O 0.25976755425856 0.91666666666667 0.62377882919999 15.999 > 31 34 O 0.74023244574144 0.08333333333333 0.37622117080001 15.999 > 34 35 O 0.74023244574144 0.41666666666667 0.37622117080001 15.999 > 34 36 O 0.74023244574144 0.75000000000000 0.37622117080001 15.999 > 34 37 O 0.50861600990729 0.08333333333333 0.10137530595514 15.999 > 37 38 O 0.50861600990729 0.41666666666667 0.10137530595514 15.999 > 37 39 O 0.50861600990729 0.75000000000000 0.10137530595514 15.999 > 37 40 O 0.49138399009271 0.25000000000000 0.89862469404486 15.999 > 40 41 O 0.49138399009271 0.58333333333333 0.89862469404486 15.999 > 40 42 O 0.49138399009271 0.91666666666667 0.89862469404486 15.999 > 40 43 O 0.00861600990729 0.08333333333333 0.39862469404486 15.999 > 43 44 O 0.00861600990729 0.41666666666667 0.39862469404486 15.999 > 43 45 O 0.00861600990729 0.75000000000000 0.39862469404486 15.999 > 43 46 O 0.99138399009271 0.25000000000000 0.60137530595514 15.999 > 46 47 O 0.99138399009271 0.58333333333333 0.60137530595514 15.999 > 46 48 O 0.99138399009271 0.91666666666667 0.60137530595514 15.999 > 46 49 O 0.77355129169050 0.08333333333333 0.03536911477504 15.999 > 49 50 O 0.77355129169050 0.41666666666667 0.03536911477504 15.999 > 49 51 O 0.77355129169050 0.75000000000000 0.03536911477504 15.999 > 49 52 O 0.22644870830950 0.25000000000000 0.96463088522496 15.999 > 52 53 O 0.22644870830950 0.58333333333333 0.96463088522496 15.999 > 52 54 O 0.22644870830950 0.91666666666667 0.96463088522496 15.999 > 52 55 O 0.27355129169050 0.08333333333333 0.46463088522496 15.999 > 55 56 O 0.27355129169050 0.41666666666667 0.46463088522496 15.999 > 55 57 O 0.27355129169050 0.75000000000000 0.46463088522496 15.999 > 55 58 O 0.72644870830950 0.25000000000000 0.53536911477504 15.999 > 58 59 O 0.72644870830950 0.58333333333333 0.53536911477504 15.999 > 58 60 O 0.72644870830950 0.91666666666667 0.53536911477504 15.999 > 58 61 Ti 0.80628947672905 0.08333333333333 0.87246109469467 47.867 > 61 62 Ti 0.80628947672905 0.41666666666667 0.87246109469467 47.867 > 61 63 Ti 0.80628947672905 0.75000000000000 0.87246109469467 47.867 > 61 64 Ti 0.19371052327095 0.25000000000000 0.12753890530533 47.867 > 64 65 Ti 0.19371052327095 0.58333333333333 0.12753890530533 47.867 > 64 66 Ti 0.19371052327095 0.91666666666667 0.12753890530533 47.867 > 64 67 Ti 0.30628947672905 0.08333333333333 0.62753890530533 47.867 > 67 68 Ti 0.30628947672905 0.41666666666667 0.62753890530533 47.867 > 67 69 Ti 0.30628947672905 0.75000000000000 0.62753890530533 47.867 > 67 70 Ti 0.69371052327095 0.25000000000000 0.37246109469467 47.867 > 70 71 Ti 0.69371052327095 0.58333333333333 0.37246109469467 47.867 > 70 72 Ti 0.69371052327095 0.91666666666667 0.37246109469467 47.867 > 70 73 La 0.59634693689296 0.25000000000000 0.71647001021977 138.905 > 73 74 La 0.59634693689296 0.58333333333333 0.71647001021977 138.905 > 73 75 La 0.59634693689296 0.91666666666667 0.71647001021977 138.905 > 73 76 La 0.40365306310705 0.08333333333333 0.28352998978022 138.905 > 76 77 La 0.40365306310705 0.41666666666667 0.28352998978022 138.905 > 76 78 La 0.40365306310705 0.75000000000000 0.28352998978022 138.905 > 76 79 La 0.09634693689295 0.25000000000000 0.78352998978023 138.905 > 79 80 La 0.09634693689295 0.58333333333333 0.78352998978023 138.905 > 79 81 La 0.09634693689295 0.91666666666667 0.78352998978023 138.905 > 79 82 La 0.90365306310704 0.08333333333333 0.21647001021977 138.905 > 82 83 La 0.90365306310704 0.41666666666667 0.21647001021977 138.905 > 82 84 La 0.90365306310704 0.75000000000000 0.21647001021977 138.905 > 82 85 La 0.86397521412761 0.08333333333333 0.56113512588612 138.905 > 85 86 La 0.86397521412761 0.41666666666667 0.56113512588612 138.905 > 85 87 La 0.86397521412761 0.75000000000000 0.56113512588612 138.905 > 85 88 La 0.13602478587239 0.25000000000000 0.43886487411388 138.905 > 88 89 La 0.13602478587239 0.58333333333333 0.43886487411388 138.905 > 88 90 La 0.13602478587239 0.91666666666667 0.43886487411388 138.905 > 88 91 La 0.36397521412760 0.08333333333333 0.93886487411388 138.905 > 91 92 La 0.36397521412760 0.41666666666667 0.93886487411388 138.905 > 91 93 La 0.36397521412760 0.75000000000000 0.93886487411388 138.905 > 91 94 La 0.63602478587239 0.25000000000000 0.06113512588612 138.905 > 94 95 La 0.63602478587239 0.58333333333333 0.06113512588612 138.905 > 94 96 La 0.63602478587239 0.91666666666667 0.06113512588612 138.905 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5058620 0.0000000 0.0000000 0.0000000 4.8077856 0.0000000 0.0000000 0.0000000 4.5778967 -------------------------- Born effective charges -------------------------- 1 O -3.7299501 0.0000000 0.8516133 0.0000000 -1.9133562 0.0000000 1.0423421 0.0000000 -1.3165259 2 O -3.7299501 0.0000000 0.8516133 0.0000000 -1.9133562 0.0000000 1.0423421 0.0000000 -1.3165259 3 O -3.7299501 0.0000000 -0.8516133 0.0000000 -1.9133562 0.0000000 -1.0423421 0.0000000 -1.3165259 4 O -3.7299501 0.0000000 -0.8516133 0.0000000 -1.9133562 0.0000000 -1.0423421 0.0000000 -1.3165259 5 O -2.4264309 0.0000000 -0.3462050 0.0000000 -2.6781843 0.0000000 -0.3549585 0.0000000 -2.9232518 6 O -2.4264309 0.0000000 -0.3462050 0.0000000 -2.6781843 0.0000000 -0.3549585 0.0000000 -2.9232518 7 O -2.4264309 0.0000000 0.3462050 0.0000000 -2.6781843 0.0000000 0.3549585 0.0000000 -2.9232518 8 O -2.4264309 0.0000000 0.3462050 0.0000000 -2.6781843 0.0000000 0.3549585 0.0000000 -2.9232518 9 O -1.5638130 0.0000000 -0.0042882 0.0000000 -4.3726072 0.0000000 0.1397859 0.0000000 -1.8167626 10 O -1.5638130 0.0000000 -0.0042882 0.0000000 -4.3726072 0.0000000 0.1397859 0.0000000 -1.8167626 11 O -1.5638130 0.0000000 0.0042882 0.0000000 -4.3726072 0.0000000 -0.1397859 0.0000000 -1.8167626 12 O -1.5638130 0.0000000 0.0042882 0.0000000 -4.3726072 0.0000000 -0.1397859 0.0000000 -1.8167626 13 O -2.6112361 0.0000000 0.1178245 0.0000000 -2.5703683 0.0000000 0.4592841 0.0000000 -2.6983610 14 O -2.6112361 0.0000000 0.1178245 0.0000000 -2.5703683 0.0000000 0.4592841 0.0000000 -2.6983610 15 O -2.6112361 0.0000000 -0.1178245 0.0000000 -2.5703683 0.0000000 -0.4592841 0.0000000 -2.6983610 16 O -2.6112361 0.0000000 -0.1178245 0.0000000 -2.5703683 0.0000000 -0.4592841 0.0000000 -2.6983610 17 O -1.8111252 0.0000000 0.0379462 0.0000000 -2.3416204 0.0000000 0.0962460 0.0000000 -3.8327127 18 O -1.8111252 0.0000000 0.0379462 0.0000000 -2.3416204 0.0000000 0.0962460 0.0000000 -3.8327127 19 O -1.8111252 0.0000000 -0.0379462 0.0000000 -2.3416204 0.0000000 -0.0962460 0.0000000 -3.8327127 20 O -1.8111252 0.0000000 -0.0379462 0.0000000 -2.3416204 0.0000000 -0.0962460 0.0000000 -3.8327127 21 Ti 3.4689026 0.0000000 -0.2366960 0.0000000 5.4295977 0.0000000 -0.4957649 0.0000000 4.6215248 22 Ti 3.4689026 0.0000000 -0.2366960 0.0000000 5.4295977 0.0000000 -0.4957649 0.0000000 4.6215248 23 Ti 3.4689026 0.0000000 0.2366960 0.0000000 5.4295977 0.0000000 0.4957649 0.0000000 4.6215248 24 Ti 3.4689026 0.0000000 0.2366960 0.0000000 5.4295977 0.0000000 0.4957649 0.0000000 4.6215248 25 La 4.6668692 0.0000000 -0.2948162 0.0000000 4.2185323 0.0000000 -0.5646528 0.0000000 4.1207066 26 La 4.6668692 0.0000000 -0.2948162 0.0000000 4.2185323 0.0000000 -0.5646528 0.0000000 4.1207066 27 La 4.6668692 0.0000000 0.2948162 0.0000000 4.2185323 0.0000000 0.5646528 0.0000000 4.1207066 28 La 4.6668692 0.0000000 0.2948162 0.0000000 4.2185323 0.0000000 0.5646528 0.0000000 4.1207066 29 La 4.0067834 0.0000000 -0.3447408 0.0000000 4.2280064 0.0000000 0.0465641 0.0000000 3.8453826 30 La 4.0067834 0.0000000 -0.3447408 0.0000000 4.2280064 0.0000000 0.0465641 0.0000000 3.8453826 31 La 4.0067834 0.0000000 0.3447408 0.0000000 4.2280064 0.0000000 -0.0465641 0.0000000 3.8453826 32 La 4.0067834 0.0000000 0.3447408 0.0000000 4.2280064 0.0000000 -0.0465641 0.0000000 3.8453826 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:06:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:06:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.955742190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.898566890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.350983629999998 Atomic positions (fractional): 1 O 0.96271347501117 0.25000000000000 0.82891656579186 15.999 2 O 0.03728652498883 0.75000000000000 0.17108343420814 15.999 3 O 0.46271347501117 0.25000000000000 0.67108343420814 15.999 4 O 0.53728652498883 0.75000000000000 0.32891656579186 15.999 5 O 0.71881785839883 0.25000000000000 0.72866333929085 15.999 6 O 0.28118214160117 0.75000000000000 0.27133666070915 15.999 7 O 0.21881785839883 0.25000000000000 0.77133666070915 15.999 8 O 0.78118214160117 0.75000000000000 0.22866333929085 15.999 9 O 0.75976755425856 0.75000000000000 0.87622117080001 15.999 10 O 0.24023244574144 0.25000000000000 0.12377882919999 15.999 11 O 0.25976755425856 0.75000000000000 0.62377882919999 15.999 12 O 0.74023244574144 0.25000000000000 0.37622117080001 15.999 13 O 0.50861600990729 0.25000000000000 0.10137530595514 15.999 14 O 0.49138399009271 0.75000000000000 0.89862469404486 15.999 15 O 0.00861600990729 0.25000000000000 0.39862469404486 15.999 16 O 0.99138399009271 0.75000000000000 0.60137530595514 15.999 17 O 0.77355129169050 0.25000000000000 0.03536911477504 15.999 18 O 0.22644870830950 0.75000000000000 0.96463088522496 15.999 19 O 0.27355129169050 0.25000000000000 0.46463088522496 15.999 20 O 0.72644870830950 0.75000000000000 0.53536911477504 15.999 21 Ti 0.80628947672905 0.25000000000000 0.87246109469467 47.867 22 Ti 0.19371052327095 0.75000000000000 0.12753890530533 47.867 23 Ti 0.30628947672905 0.25000000000000 0.62753890530533 47.867 24 Ti 0.69371052327095 0.75000000000000 0.37246109469467 47.867 25 La 0.59634693689296 0.75000000000000 0.71647001021977 138.905 26 La 0.40365306310705 0.25000000000000 0.28352998978022 138.905 27 La 0.09634693689295 0.75000000000000 0.78352998978023 138.905 28 La 0.90365306310704 0.25000000000000 0.21647001021977 138.905 29 La 0.86397521412761 0.25000000000000 0.56113512588612 138.905 30 La 0.13602478587239 0.75000000000000 0.43886487411388 138.905 31 La 0.36397521412760 0.25000000000000 0.93886487411388 138.905 32 La 0.63602478587239 0.75000000000000 0.06113512588612 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.955742190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.695700670000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.350983629999998 Atomic positions (fractional): 1 O 0.96271347501117 0.08333333333333 0.82891656579186 15.999 > 1 2 O 0.96271347501117 0.41666666666667 0.82891656579186 15.999 > 1 3 O 0.96271347501117 0.75000000000000 0.82891656579186 15.999 > 1 4 O 0.03728652498883 0.25000000000000 0.17108343420814 15.999 > 4 5 O 0.03728652498883 0.58333333333333 0.17108343420814 15.999 > 4 6 O 0.03728652498883 0.91666666666667 0.17108343420814 15.999 > 4 7 O 0.46271347501117 0.08333333333333 0.67108343420814 15.999 > 7 8 O 0.46271347501117 0.41666666666667 0.67108343420814 15.999 > 7 9 O 0.46271347501117 0.75000000000000 0.67108343420814 15.999 > 7 10 O 0.53728652498883 0.25000000000000 0.32891656579186 15.999 > 10 11 O 0.53728652498883 0.58333333333333 0.32891656579186 15.999 > 10 12 O 0.53728652498883 0.91666666666667 0.32891656579186 15.999 > 10 13 O 0.71881785839883 0.08333333333333 0.72866333929085 15.999 > 13 14 O 0.71881785839883 0.41666666666667 0.72866333929085 15.999 > 13 15 O 0.71881785839883 0.75000000000000 0.72866333929085 15.999 > 13 16 O 0.28118214160117 0.25000000000000 0.27133666070915 15.999 > 16 17 O 0.28118214160117 0.58333333333333 0.27133666070915 15.999 > 16 18 O 0.28118214160117 0.91666666666667 0.27133666070915 15.999 > 16 19 O 0.21881785839883 0.08333333333333 0.77133666070915 15.999 > 19 20 O 0.21881785839883 0.41666666666667 0.77133666070915 15.999 > 19 21 O 0.21881785839883 0.75000000000000 0.77133666070915 15.999 > 19 22 O 0.78118214160117 0.25000000000000 0.22866333929085 15.999 > 22 23 O 0.78118214160117 0.58333333333333 0.22866333929085 15.999 > 22 24 O 0.78118214160117 0.91666666666667 0.22866333929085 15.999 > 22 25 O 0.75976755425856 0.25000000000000 0.87622117080001 15.999 > 25 26 O 0.75976755425856 0.58333333333333 0.87622117080001 15.999 > 25 27 O 0.75976755425856 0.91666666666667 0.87622117080001 15.999 > 25 28 O 0.24023244574144 0.08333333333333 0.12377882919999 15.999 > 28 29 O 0.24023244574144 0.41666666666667 0.12377882919999 15.999 > 28 30 O 0.24023244574144 0.75000000000000 0.12377882919999 15.999 > 28 31 O 0.25976755425856 0.25000000000000 0.62377882919999 15.999 > 31 32 O 0.25976755425856 0.58333333333333 0.62377882919999 15.999 > 31 33 O 0.25976755425856 0.91666666666667 0.62377882919999 15.999 > 31 34 O 0.74023244574144 0.08333333333333 0.37622117080001 15.999 > 34 35 O 0.74023244574144 0.41666666666667 0.37622117080001 15.999 > 34 36 O 0.74023244574144 0.75000000000000 0.37622117080001 15.999 > 34 37 O 0.50861600990729 0.08333333333333 0.10137530595514 15.999 > 37 38 O 0.50861600990729 0.41666666666667 0.10137530595514 15.999 > 37 39 O 0.50861600990729 0.75000000000000 0.10137530595514 15.999 > 37 40 O 0.49138399009271 0.25000000000000 0.89862469404486 15.999 > 40 41 O 0.49138399009271 0.58333333333333 0.89862469404486 15.999 > 40 42 O 0.49138399009271 0.91666666666667 0.89862469404486 15.999 > 40 43 O 0.00861600990729 0.08333333333333 0.39862469404486 15.999 > 43 44 O 0.00861600990729 0.41666666666667 0.39862469404486 15.999 > 43 45 O 0.00861600990729 0.75000000000000 0.39862469404486 15.999 > 43 46 O 0.99138399009271 0.25000000000000 0.60137530595514 15.999 > 46 47 O 0.99138399009271 0.58333333333333 0.60137530595514 15.999 > 46 48 O 0.99138399009271 0.91666666666667 0.60137530595514 15.999 > 46 49 O 0.77355129169050 0.08333333333333 0.03536911477504 15.999 > 49 50 O 0.77355129169050 0.41666666666667 0.03536911477504 15.999 > 49 51 O 0.77355129169050 0.75000000000000 0.03536911477504 15.999 > 49 52 O 0.22644870830950 0.25000000000000 0.96463088522496 15.999 > 52 53 O 0.22644870830950 0.58333333333333 0.96463088522496 15.999 > 52 54 O 0.22644870830950 0.91666666666667 0.96463088522496 15.999 > 52 55 O 0.27355129169050 0.08333333333333 0.46463088522496 15.999 > 55 56 O 0.27355129169050 0.41666666666667 0.46463088522496 15.999 > 55 57 O 0.27355129169050 0.75000000000000 0.46463088522496 15.999 > 55 58 O 0.72644870830950 0.25000000000000 0.53536911477504 15.999 > 58 59 O 0.72644870830950 0.58333333333333 0.53536911477504 15.999 > 58 60 O 0.72644870830950 0.91666666666667 0.53536911477504 15.999 > 58 61 Ti 0.80628947672905 0.08333333333333 0.87246109469467 47.867 > 61 62 Ti 0.80628947672905 0.41666666666667 0.87246109469467 47.867 > 61 63 Ti 0.80628947672905 0.75000000000000 0.87246109469467 47.867 > 61 64 Ti 0.19371052327095 0.25000000000000 0.12753890530533 47.867 > 64 65 Ti 0.19371052327095 0.58333333333333 0.12753890530533 47.867 > 64 66 Ti 0.19371052327095 0.91666666666667 0.12753890530533 47.867 > 64 67 Ti 0.30628947672905 0.08333333333333 0.62753890530533 47.867 > 67 68 Ti 0.30628947672905 0.41666666666667 0.62753890530533 47.867 > 67 69 Ti 0.30628947672905 0.75000000000000 0.62753890530533 47.867 > 67 70 Ti 0.69371052327095 0.25000000000000 0.37246109469467 47.867 > 70 71 Ti 0.69371052327095 0.58333333333333 0.37246109469467 47.867 > 70 72 Ti 0.69371052327095 0.91666666666667 0.37246109469467 47.867 > 70 73 La 0.59634693689296 0.25000000000000 0.71647001021977 138.905 > 73 74 La 0.59634693689296 0.58333333333333 0.71647001021977 138.905 > 73 75 La 0.59634693689296 0.91666666666667 0.71647001021977 138.905 > 73 76 La 0.40365306310705 0.08333333333333 0.28352998978022 138.905 > 76 77 La 0.40365306310705 0.41666666666667 0.28352998978022 138.905 > 76 78 La 0.40365306310705 0.75000000000000 0.28352998978022 138.905 > 76 79 La 0.09634693689295 0.25000000000000 0.78352998978023 138.905 > 79 80 La 0.09634693689295 0.58333333333333 0.78352998978023 138.905 > 79 81 La 0.09634693689295 0.91666666666667 0.78352998978023 138.905 > 79 82 La 0.90365306310704 0.08333333333333 0.21647001021977 138.905 > 82 83 La 0.90365306310704 0.41666666666667 0.21647001021977 138.905 > 82 84 La 0.90365306310704 0.75000000000000 0.21647001021977 138.905 > 82 85 La 0.86397521412761 0.08333333333333 0.56113512588612 138.905 > 85 86 La 0.86397521412761 0.41666666666667 0.56113512588612 138.905 > 85 87 La 0.86397521412761 0.75000000000000 0.56113512588612 138.905 > 85 88 La 0.13602478587239 0.25000000000000 0.43886487411388 138.905 > 88 89 La 0.13602478587239 0.58333333333333 0.43886487411388 138.905 > 88 90 La 0.13602478587239 0.91666666666667 0.43886487411388 138.905 > 88 91 La 0.36397521412760 0.08333333333333 0.93886487411388 138.905 > 91 92 La 0.36397521412760 0.41666666666667 0.93886487411388 138.905 > 91 93 La 0.36397521412760 0.75000000000000 0.93886487411388 138.905 > 91 94 La 0.63602478587239 0.25000000000000 0.06113512588612 138.905 > 94 95 La 0.63602478587239 0.58333333333333 0.06113512588612 138.905 > 94 96 La 0.63602478587239 0.91666666666667 0.06113512588612 138.905 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5058620 0.0000000 0.0000000 0.0000000 4.8077856 0.0000000 0.0000000 0.0000000 4.5778967 -------------------------- Born effective charges -------------------------- 1 O -3.7299501 0.0000000 0.8516133 0.0000000 -1.9133562 0.0000000 1.0423421 0.0000000 -1.3165259 2 O -3.7299501 0.0000000 0.8516133 0.0000000 -1.9133562 0.0000000 1.0423421 0.0000000 -1.3165259 3 O -3.7299501 0.0000000 -0.8516133 0.0000000 -1.9133562 0.0000000 -1.0423421 0.0000000 -1.3165259 4 O -3.7299501 0.0000000 -0.8516133 0.0000000 -1.9133562 0.0000000 -1.0423421 0.0000000 -1.3165259 5 O -2.4264309 0.0000000 -0.3462050 0.0000000 -2.6781843 0.0000000 -0.3549585 0.0000000 -2.9232518 6 O -2.4264309 0.0000000 -0.3462050 0.0000000 -2.6781843 0.0000000 -0.3549585 0.0000000 -2.9232518 7 O -2.4264309 0.0000000 0.3462050 0.0000000 -2.6781843 0.0000000 0.3549585 0.0000000 -2.9232518 8 O -2.4264309 0.0000000 0.3462050 0.0000000 -2.6781843 0.0000000 0.3549585 0.0000000 -2.9232518 9 O -1.5638130 0.0000000 -0.0042882 0.0000000 -4.3726072 0.0000000 0.1397859 0.0000000 -1.8167626 10 O -1.5638130 0.0000000 -0.0042882 0.0000000 -4.3726072 0.0000000 0.1397859 0.0000000 -1.8167626 11 O -1.5638130 0.0000000 0.0042882 0.0000000 -4.3726072 0.0000000 -0.1397859 0.0000000 -1.8167626 12 O -1.5638130 0.0000000 0.0042882 0.0000000 -4.3726072 0.0000000 -0.1397859 0.0000000 -1.8167626 13 O -2.6112361 0.0000000 0.1178245 0.0000000 -2.5703683 0.0000000 0.4592841 0.0000000 -2.6983610 14 O -2.6112361 0.0000000 0.1178245 0.0000000 -2.5703683 0.0000000 0.4592841 0.0000000 -2.6983610 15 O -2.6112361 0.0000000 -0.1178245 0.0000000 -2.5703683 0.0000000 -0.4592841 0.0000000 -2.6983610 16 O -2.6112361 0.0000000 -0.1178245 0.0000000 -2.5703683 0.0000000 -0.4592841 0.0000000 -2.6983610 17 O -1.8111252 0.0000000 0.0379462 0.0000000 -2.3416204 0.0000000 0.0962460 0.0000000 -3.8327127 18 O -1.8111252 0.0000000 0.0379462 0.0000000 -2.3416204 0.0000000 0.0962460 0.0000000 -3.8327127 19 O -1.8111252 0.0000000 -0.0379462 0.0000000 -2.3416204 0.0000000 -0.0962460 0.0000000 -3.8327127 20 O -1.8111252 0.0000000 -0.0379462 0.0000000 -2.3416204 0.0000000 -0.0962460 0.0000000 -3.8327127 21 Ti 3.4689026 0.0000000 -0.2366960 0.0000000 5.4295977 0.0000000 -0.4957649 0.0000000 4.6215248 22 Ti 3.4689026 0.0000000 -0.2366960 0.0000000 5.4295977 0.0000000 -0.4957649 0.0000000 4.6215248 23 Ti 3.4689026 0.0000000 0.2366960 0.0000000 5.4295977 0.0000000 0.4957649 0.0000000 4.6215248 24 Ti 3.4689026 0.0000000 0.2366960 0.0000000 5.4295977 0.0000000 0.4957649 0.0000000 4.6215248 25 La 4.6668692 0.0000000 -0.2948162 0.0000000 4.2185323 0.0000000 -0.5646528 0.0000000 4.1207066 26 La 4.6668692 0.0000000 -0.2948162 0.0000000 4.2185323 0.0000000 -0.5646528 0.0000000 4.1207066 27 La 4.6668692 0.0000000 0.2948162 0.0000000 4.2185323 0.0000000 0.5646528 0.0000000 4.1207066 28 La 4.6668692 0.0000000 0.2948162 0.0000000 4.2185323 0.0000000 0.5646528 0.0000000 4.1207066 29 La 4.0067834 0.0000000 -0.3447408 0.0000000 4.2280064 0.0000000 0.0465641 0.0000000 3.8453826 30 La 4.0067834 0.0000000 -0.3447408 0.0000000 4.2280064 0.0000000 0.0465641 0.0000000 3.8453826 31 La 4.0067834 0.0000000 0.3447408 0.0000000 4.2280064 0.0000000 -0.0465641 0.0000000 3.8453826 32 La 4.0067834 0.0000000 0.3447408 0.0000000 4.2280064 0.0000000 -0.0465641 0.0000000 3.8453826 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 13 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.266 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.316 ( 0.000 0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 6.539 ( 0.000 0.000 0.000) 0.000 6.782 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.421 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 0.000) 0.000 7.835 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.212 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 9.014 ( 0.000 0.000 0.000) 0.000 9.094 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 9.583 ( 0.000 0.000 0.000) 0.000 9.638 ( 0.000 0.000 0.000) 0.000 9.860 ( 0.000 0.000 0.000) 0.000 9.952 ( 0.000 0.000 0.000) 0.000 10.158 ( 0.000 0.000 0.000) 0.000 10.197 ( 0.000 0.000 0.000) 0.000 10.214 ( 0.000 0.000 0.000) 0.000 10.228 ( 0.000 0.000 0.000) 0.000 10.586 ( 0.000 0.000 0.000) 0.000 11.259 ( 0.000 0.000 0.000) 0.000 11.697 ( 0.000 0.000 0.000) 0.000 11.705 ( 0.000 0.000 0.000) 0.000 12.261 ( 0.000 0.000 0.000) 0.000 12.265 ( 0.000 0.000 0.000) 0.000 12.302 ( 0.000 0.000 0.000) 0.000 12.370 ( 0.000 0.000 0.000) 0.000 12.381 ( 0.000 0.000 0.000) 0.000 12.667 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 12.882 ( 0.000 0.000 0.000) 0.000 13.169 ( 0.000 0.000 0.000) 0.000 13.763 ( 0.000 0.000 0.000) 0.000 14.103 ( 0.000 0.000 0.000) 0.000 14.127 ( 0.000 0.000 0.000) 0.000 14.727 ( 0.000 0.000 0.000) 0.000 15.230 ( 0.000 0.000 0.000) 0.000 15.265 ( 0.000 0.000 0.000) 0.000 15.443 ( 0.000 0.000 0.000) 0.000 15.476 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 16.459 ( 0.000 0.000 0.000) 0.000 18.076 ( 0.000 0.000 0.000) 0.000 18.983 ( 0.000 0.000 0.000) 0.000 19.324 ( 0.000 0.000 0.000) 0.000 19.849 ( 0.000 0.000 0.000) 0.000 20.275 ( 0.000 0.000 0.000) 0.000 20.513 ( 0.000 0.000 0.000) 0.000 22.925 ( 0.000 0.000 0.000) 0.000 23.580 ( 0.000 0.000 0.000) 0.000 24.068 ( 0.000 0.000 0.000) 0.000 24.526 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 30.802 0.000 0.000) 30.802 0.588 ( 31.935 0.000 0.000) 31.935 1.026 ( 55.286 0.000 0.000) 55.286 1.481 ( 0.827 0.000 0.000) 0.827 1.864 ( -10.925 0.000 0.000) 10.925 2.081 ( -18.719 0.000 0.000) 18.719 2.175 ( -22.380 0.000 0.000) 22.380 2.298 ( 1.526 0.000 0.000) 1.526 2.380 ( 1.521 0.000 0.000) 1.521 2.437 ( -2.708 0.000 0.000) 2.708 2.556 ( 2.797 0.000 0.000) 2.797 2.642 ( -9.021 0.000 0.000) 9.021 2.975 ( -9.612 0.000 0.000) 9.612 3.035 ( 4.500 0.000 0.000) 4.500 3.118 ( 16.951 0.000 0.000) 16.951 3.210 ( 20.804 0.000 0.000) 20.804 3.234 ( -6.930 0.000 0.000) 6.930 3.343 ( 7.921 0.000 0.000) 7.921 3.497 ( 0.766 0.000 0.000) 0.766 3.593 ( -0.692 0.000 0.000) 0.692 3.689 ( -2.127 0.000 0.000) 2.127 3.759 ( -4.562 0.000 0.000) 4.562 3.907 ( 0.163 0.000 0.000) 0.163 3.999 ( 12.208 0.000 0.000) 12.208 4.044 ( -27.411 0.000 0.000) 27.411 4.233 ( 8.146 0.000 0.000) 8.146 4.504 ( -1.656 0.000 0.000) 1.656 4.711 ( -3.343 0.000 0.000) 3.343 5.059 ( -4.081 0.000 0.000) 4.081 5.317 ( -14.298 0.000 0.000) 14.298 5.765 ( 8.362 0.000 0.000) 8.362 5.869 ( -2.084 0.000 0.000) 2.084 5.981 ( 5.140 0.000 0.000) 5.140 6.194 ( 0.831 0.000 0.000) 0.831 6.353 ( 2.891 0.000 0.000) 2.891 6.579 ( 5.316 0.000 0.000) 5.316 6.770 ( -10.474 0.000 0.000) 10.474 6.849 ( 6.228 0.000 0.000) 6.228 6.915 ( 8.842 0.000 0.000) 8.842 7.142 ( -0.860 0.000 0.000) 0.860 7.366 ( 8.973 0.000 0.000) 8.973 7.432 ( 1.146 0.000 0.000) 1.146 7.547 ( -2.033 0.000 0.000) 2.033 7.664 ( -13.050 0.000 0.000) 13.050 7.805 ( 0.131 0.000 0.000) 0.131 7.818 ( -0.284 0.000 0.000) 0.284 7.873 ( 3.515 0.000 0.000) 3.515 8.103 ( -2.662 0.000 0.000) 2.662 8.267 ( 3.371 0.000 0.000) 3.371 8.853 ( 11.603 0.000 0.000) 11.603 8.867 ( -15.698 0.000 0.000) 15.698 9.020 ( 0.662 0.000 0.000) 0.662 9.084 ( -0.999 0.000 0.000) 0.999 9.497 ( -1.340 0.000 0.000) 1.340 9.501 ( 0.480 0.000 0.000) 0.480 9.572 ( -1.109 0.000 0.000) 1.109 9.667 ( 2.926 0.000 0.000) 2.926 9.843 ( -1.758 0.000 0.000) 1.758 9.947 ( -13.501 0.000 0.000) 13.501 9.993 ( 3.773 0.000 0.000) 3.773 10.137 ( -8.444 0.000 0.000) 8.444 10.194 ( 2.147 0.000 0.000) 2.147 10.482 ( 14.931 0.000 0.000) 14.931 11.207 ( -6.632 0.000 0.000) 6.632 11.698 ( 0.050 0.000 0.000) 0.050 11.704 ( -0.094 0.000 0.000) 0.094 12.043 ( -1.610 0.000 0.000) 1.610 12.209 ( -4.123 0.000 0.000) 4.123 12.266 ( -2.538 0.000 0.000) 2.538 12.270 ( 0.385 0.000 0.000) 0.385 12.371 ( 0.119 0.000 0.000) 0.119 12.380 ( -0.097 0.000 0.000) 0.097 12.820 ( 13.340 0.000 0.000) 13.340 12.820 ( 2.528 0.000 0.000) 2.528 12.886 ( 0.298 0.000 0.000) 0.298 13.273 ( -1.760 0.000 0.000) 1.760 13.820 ( 5.971 0.000 0.000) 5.971 14.116 ( -1.397 0.000 0.000) 1.397 14.152 ( 5.425 0.000 0.000) 5.425 14.692 ( -6.254 0.000 0.000) 6.254 15.234 ( 0.350 0.000 0.000) 0.350 15.262 ( -0.350 0.000 0.000) 0.350 15.446 ( 0.344 0.000 0.000) 0.344 15.473 ( -0.327 0.000 0.000) 0.327 16.415 ( 0.833 0.000 0.000) 0.833 16.457 ( -0.207 0.000 0.000) 0.207 19.026 ( 5.067 0.000 0.000) 5.067 19.352 ( 2.629 0.000 0.000) 2.629 19.556 ( 1.387 0.000 0.000) 1.387 19.775 ( -8.257 0.000 0.000) 8.257 20.219 ( -4.455 0.000 0.000) 4.455 20.565 ( -14.235 0.000 0.000) 14.235 23.088 ( 15.860 0.000 0.000) 15.860 23.958 ( -10.323 0.000 0.000) 10.323 24.641 ( 10.371 0.000 0.000) 10.371 25.121 ( -3.945 0.000 0.000) 3.945 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 29.885 0.000 0.000) 29.885 1.161 ( 30.670 0.000 0.000) 30.670 1.522 ( 4.072 0.000 0.000) 4.072 1.619 ( -11.671 0.000 0.000) 11.671 1.654 ( -20.968 0.000 0.000) 20.968 1.701 ( -28.269 0.000 0.000) 28.269 2.049 ( 44.710 0.000 0.000) 44.710 2.336 ( 2.566 0.000 0.000) 2.566 2.387 ( -2.831 0.000 0.000) 2.831 2.448 ( 8.427 0.000 0.000) 8.427 2.468 ( -9.456 0.000 0.000) 9.456 2.652 ( 7.031 0.000 0.000) 7.031 2.801 ( -9.090 0.000 0.000) 9.090 2.948 ( -30.154 0.000 0.000) 30.154 3.144 ( 8.244 0.000 0.000) 8.244 3.399 ( -24.352 0.000 0.000) 24.352 3.400 ( 13.226 0.000 0.000) 13.226 3.466 ( 4.875 0.000 0.000) 4.875 3.511 ( 0.397 0.000 0.000) 0.397 3.572 ( -2.507 0.000 0.000) 2.507 3.638 ( -3.001 0.000 0.000) 3.001 3.639 ( 23.238 0.000 0.000) 23.238 3.645 ( -6.381 0.000 0.000) 6.381 3.954 ( -8.649 0.000 0.000) 8.649 4.265 ( 14.836 0.000 0.000) 14.836 4.406 ( 9.913 0.000 0.000) 9.913 4.464 ( -4.945 0.000 0.000) 4.945 4.574 ( -9.114 0.000 0.000) 9.114 4.973 ( -2.073 0.000 0.000) 2.073 5.071 ( -11.422 0.000 0.000) 11.422 5.863 ( 1.145 0.000 0.000) 1.145 5.865 ( 2.273 0.000 0.000) 2.273 6.091 ( 5.949 0.000 0.000) 5.949 6.172 ( -2.931 0.000 0.000) 2.931 6.407 ( 3.950 0.000 0.000) 3.950 6.536 ( -9.894 0.000 0.000) 9.894 6.792 ( 12.529 0.000 0.000) 12.529 6.945 ( 0.774 0.000 0.000) 0.774 7.054 ( 3.498 0.000 0.000) 3.498 7.114 ( -2.833 0.000 0.000) 2.833 7.462 ( 2.040 0.000 0.000) 2.040 7.480 ( 2.272 0.000 0.000) 2.272 7.483 ( -3.004 0.000 0.000) 3.004 7.504 ( -2.471 0.000 0.000) 2.471 7.808 ( 0.229 0.000 0.000) 0.229 7.813 ( -0.265 0.000 0.000) 0.265 7.951 ( 4.756 0.000 0.000) 4.756 8.037 ( -4.403 0.000 0.000) 4.403 8.333 ( 5.783 0.000 0.000) 5.783 8.540 ( -16.844 0.000 0.000) 16.844 9.037 ( 1.174 0.000 0.000) 1.174 9.061 ( -1.368 0.000 0.000) 1.368 9.130 ( 17.174 0.000 0.000) 17.174 9.413 ( -11.165 0.000 0.000) 11.165 9.518 ( 1.322 0.000 0.000) 1.322 9.546 ( -1.631 0.000 0.000) 1.631 9.732 ( 3.827 0.000 0.000) 3.827 9.797 ( -3.201 0.000 0.000) 3.201 9.804 ( 0.927 0.000 0.000) 0.927 9.930 ( -9.895 0.000 0.000) 9.895 10.109 ( 5.255 0.000 0.000) 5.255 10.191 ( -2.758 0.000 0.000) 2.758 10.755 ( 14.848 0.000 0.000) 14.848 11.016 ( -13.285 0.000 0.000) 13.285 11.699 ( 0.103 0.000 0.000) 0.103 11.701 ( -0.130 0.000 0.000) 0.130 12.041 ( 1.950 0.000 0.000) 1.950 12.113 ( -5.490 0.000 0.000) 5.490 12.258 ( 0.966 0.000 0.000) 0.966 12.272 ( -0.282 0.000 0.000) 0.282 12.374 ( 0.181 0.000 0.000) 0.181 12.377 ( -0.168 0.000 0.000) 0.168 12.864 ( 1.905 0.000 0.000) 1.905 12.886 ( -0.509 0.000 0.000) 0.509 13.059 ( 11.298 0.000 0.000) 11.298 13.211 ( -5.485 0.000 0.000) 5.485 13.954 ( 7.577 0.000 0.000) 7.577 14.066 ( -4.359 0.000 0.000) 4.359 14.303 ( 10.959 0.000 0.000) 10.959 14.523 ( -11.742 0.000 0.000) 11.742 15.242 ( 0.567 0.000 0.000) 0.567 15.253 ( -0.567 0.000 0.000) 0.567 15.455 ( 0.547 0.000 0.000) 0.547 15.465 ( -0.537 0.000 0.000) 0.537 16.433 ( 1.073 0.000 0.000) 1.073 16.450 ( -0.659 0.000 0.000) 0.659 19.176 ( 11.084 0.000 0.000) 11.084 19.362 ( -5.048 0.000 0.000) 5.048 19.575 ( 0.311 0.000 0.000) 0.311 19.604 ( -6.199 0.000 0.000) 6.199 20.181 ( 1.610 0.000 0.000) 1.610 20.305 ( -11.814 0.000 0.000) 11.814 23.417 ( 18.419 0.000 0.000) 18.419 23.726 ( -14.962 0.000 0.000) 14.962 24.842 ( 10.745 0.000 0.000) 10.745 25.014 ( -7.777 0.000 0.000) 7.777 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 0.000 35.469 0.000) 35.469 0.698 ( 0.000 34.921 0.000) 34.921 1.239 ( 0.000 60.206 0.000) 60.206 1.482 ( 0.000 1.724 0.000) 1.724 2.034 ( 0.000 -10.300 0.000) 10.300 2.115 ( 0.000 11.410 0.000) 11.410 2.329 ( 0.000 6.396 0.000) 6.396 2.570 ( 0.000 8.489 0.000) 8.489 2.578 ( 0.000 8.387 0.000) 8.387 2.802 ( 0.000 18.966 0.000) 18.966 2.808 ( 0.000 8.901 0.000) 8.901 2.835 ( 0.000 16.811 0.000) 16.811 2.906 ( 0.000 -2.862 0.000) 2.862 2.926 ( 0.000 6.609 0.000) 6.609 3.067 ( 0.000 9.608 0.000) 9.608 3.354 ( 0.000 13.550 0.000) 13.550 3.482 ( 0.000 12.818 0.000) 12.818 3.595 ( 0.000 15.116 0.000) 15.116 3.638 ( 0.000 12.403 0.000) 12.403 3.880 ( 0.000 12.158 0.000) 12.158 3.939 ( 0.000 7.783 0.000) 7.783 3.988 ( 0.000 34.834 0.000) 34.834 4.168 ( 0.000 2.387 0.000) 2.387 4.279 ( 0.000 37.810 0.000) 37.810 4.545 ( 0.000 6.287 0.000) 6.287 4.580 ( 0.000 29.192 0.000) 29.192 4.649 ( 0.000 21.107 0.000) 21.107 4.690 ( 0.000 2.832 0.000) 2.832 5.165 ( 0.000 8.547 0.000) 8.547 5.349 ( 0.000 -2.845 0.000) 2.845 5.565 ( 0.000 2.294 0.000) 2.294 5.887 ( 0.000 -0.626 0.000) 0.626 5.950 ( 0.000 2.375 0.000) 2.375 6.197 ( 0.000 2.434 0.000) 2.434 6.256 ( 0.000 -5.767 0.000) 5.767 6.325 ( 0.000 -0.379 0.000) 0.379 6.580 ( 0.000 4.102 0.000) 4.102 6.786 ( 0.000 -3.786 0.000) 3.786 6.803 ( 0.000 2.436 0.000) 2.436 7.078 ( 0.000 -6.172 0.000) 6.172 7.152 ( 0.000 -6.040 0.000) 6.040 7.530 ( 0.000 -5.548 0.000) 5.548 7.700 ( 0.000 -3.930 0.000) 3.930 7.726 ( 0.000 25.276 0.000) 25.276 7.932 ( 0.000 8.882 0.000) 8.882 8.013 ( 0.000 12.744 0.000) 12.744 8.182 ( 0.000 -0.755 0.000) 0.755 8.236 ( 0.000 28.463 0.000) 28.463 8.284 ( 0.000 14.718 0.000) 14.718 8.750 ( 0.000 1.823 0.000) 1.823 8.859 ( 0.000 -12.628 0.000) 12.628 9.097 ( 0.000 0.330 0.000) 0.330 9.418 ( 0.000 -8.029 0.000) 8.029 9.429 ( 0.000 -6.072 0.000) 6.072 9.486 ( 0.000 -0.327 0.000) 0.327 9.742 ( 0.000 10.191 0.000) 10.191 9.958 ( 0.000 9.217 0.000) 9.217 9.996 ( 0.000 3.699 0.000) 3.699 10.151 ( 0.000 -4.399 0.000) 4.399 10.204 ( 0.000 -2.769 0.000) 2.769 10.231 ( 0.000 5.982 0.000) 5.982 10.421 ( 0.000 16.311 0.000) 16.311 10.533 ( 0.000 -4.203 0.000) 4.203 11.331 ( 0.000 5.974 0.000) 5.974 11.516 ( 0.000 -15.335 0.000) 15.335 11.538 ( 0.000 -14.093 0.000) 14.093 11.802 ( 0.000 -25.732 0.000) 25.732 11.946 ( 0.000 -29.831 0.000) 29.831 12.251 ( 0.000 -1.682 0.000) 1.682 12.273 ( 0.000 -2.925 0.000) 2.925 12.303 ( 0.000 -0.094 0.000) 0.094 12.785 ( 0.000 10.402 0.000) 10.402 12.880 ( 0.000 5.160 0.000) 5.160 13.175 ( 0.000 18.328 0.000) 18.328 13.368 ( 0.000 17.312 0.000) 17.312 13.847 ( 0.000 8.019 0.000) 8.019 14.144 ( 0.000 4.290 0.000) 4.290 14.183 ( 0.000 5.016 0.000) 5.016 14.694 ( 0.000 -3.355 0.000) 3.355 14.980 ( 0.000 0.173 0.000) 0.173 15.207 ( 0.000 -5.587 0.000) 5.587 15.396 ( 0.000 -4.381 0.000) 4.381 15.433 ( 0.000 -4.190 0.000) 4.190 16.416 ( 0.000 0.965 0.000) 0.965 16.464 ( 0.000 0.705 0.000) 0.705 17.941 ( 0.000 -21.802 0.000) 21.802 18.159 ( 0.000 7.938 0.000) 7.938 19.189 ( 0.000 16.002 0.000) 16.002 19.354 ( 0.000 2.173 0.000) 2.173 19.913 ( 0.000 6.347 0.000) 6.347 20.229 ( 0.000 -3.889 0.000) 3.889 20.491 ( 0.000 -2.080 0.000) 2.080 22.910 ( 0.000 -1.448 0.000) 1.448 23.493 ( 0.000 -8.373 0.000) 8.373 23.966 ( 0.000 -10.008 0.000) 10.008 24.401 ( 0.000 -12.275 0.000) 12.275 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 18.321 23.936 0.000) 30.143 0.885 ( 18.157 26.308 0.000) 31.965 1.499 ( 1.894 2.714 0.000) 3.310 1.603 ( 32.024 45.392 0.000) 55.551 1.866 ( -9.290 0.500 0.000) 9.303 2.142 ( -17.185 7.612 0.000) 18.795 2.276 ( 8.882 2.896 0.000) 9.342 2.342 ( -23.706 10.017 0.000) 25.736 2.570 ( -2.262 6.232 0.000) 6.630 2.654 ( -7.070 14.235 0.000) 15.894 2.666 ( -3.189 12.095 0.000) 12.508 2.752 ( -3.840 10.027 0.000) 10.737 2.996 ( 5.266 6.463 0.000) 8.336 3.220 ( 14.584 10.605 0.000) 18.032 3.244 ( 1.626 14.066 0.000) 14.160 3.301 ( 9.615 7.774 0.000) 12.365 3.492 ( -6.068 14.126 0.000) 15.374 3.532 ( 4.427 9.105 0.000) 10.124 3.693 ( 1.127 10.674 0.000) 10.733 3.868 ( -3.595 15.984 0.000) 16.383 3.941 ( 2.604 13.224 0.000) 13.478 4.118 ( 6.673 24.759 0.000) 25.642 4.206 ( 1.512 11.369 0.000) 11.469 4.218 ( -28.872 21.776 0.000) 36.163 4.327 ( 6.174 24.837 0.000) 25.593 4.372 ( -9.556 46.457 0.000) 47.430 4.549 ( 0.019 5.213 0.000) 5.213 4.787 ( -1.456 10.887 0.000) 10.984 5.156 ( -2.542 11.054 0.000) 11.343 5.321 ( -8.108 1.571 0.000) 8.258 5.647 ( 8.850 -5.054 0.000) 10.192 5.843 ( -3.456 -2.004 0.000) 3.995 5.999 ( 4.795 2.153 0.000) 5.256 6.215 ( 0.987 2.378 0.000) 2.575 6.303 ( 4.089 -5.123 0.000) 6.555 6.448 ( 5.916 -8.577 0.000) 10.419 6.625 ( 7.121 3.409 0.000) 7.895 6.791 ( 3.085 -4.338 0.000) 5.323 6.909 ( 7.839 -0.095 0.000) 7.840 7.083 ( -0.594 -5.922 0.000) 5.952 7.096 ( -2.022 -5.984 0.000) 6.316 7.539 ( -12.848 -0.889 0.000) 12.879 7.637 ( 9.165 -5.615 0.000) 10.749 7.782 ( 2.340 19.248 0.000) 19.390 7.918 ( -1.588 9.919 0.000) 10.045 7.971 ( -1.110 13.903 0.000) 13.948 8.183 ( -2.000 4.499 0.000) 4.924 8.237 ( 0.154 28.216 0.000) 28.217 8.342 ( 5.252 11.998 0.000) 13.098 8.839 ( -2.295 -11.141 0.000) 11.375 8.866 ( 11.975 2.837 0.000) 12.306 9.087 ( -0.545 0.376 0.000) 0.662 9.324 ( -8.206 -8.504 0.000) 11.818 9.473 ( 1.191 -2.748 0.000) 2.995 9.495 ( 1.103 0.243 0.000) 1.130 9.730 ( -1.035 5.807 0.000) 5.898 9.814 ( -19.926 9.209 0.000) 21.951 9.968 ( -8.555 11.446 0.000) 14.290 10.045 ( 2.930 4.207 0.000) 5.126 10.098 ( -11.558 4.254 0.000) 12.316 10.143 ( -3.834 0.881 0.000) 3.934 10.396 ( -3.782 9.970 0.000) 10.664 10.676 ( 12.865 10.020 0.000) 16.306 11.283 ( -5.409 5.071 0.000) 7.414 11.493 ( -1.636 -17.008 0.000) 17.086 11.529 ( -1.441 -13.631 0.000) 13.707 11.870 ( 5.916 -24.675 0.000) 25.374 11.951 ( 0.891 -27.659 0.000) 27.673 12.221 ( -1.357 -1.932 0.000) 2.361 12.272 ( -0.180 -2.934 0.000) 2.939 12.272 ( -2.967 0.772 0.000) 3.066 12.765 ( -15.814 11.943 0.000) 19.817 12.950 ( 14.959 11.152 0.000) 18.659 13.177 ( 0.413 18.852 0.000) 18.857 13.308 ( -6.603 21.810 0.000) 22.788 13.889 ( 4.478 6.780 0.000) 8.125 14.151 ( -9.325 10.481 0.000) 14.029 14.192 ( 5.171 4.070 0.000) 6.580 14.327 ( -64.814 62.889 0.000) 90.310 14.703 ( -13.437 6.908 0.000) 15.109 15.205 ( -0.264 -5.557 0.000) 5.563 15.346 ( -17.184 6.247 0.000) 18.285 15.432 ( -0.118 -3.957 0.000) 3.959 15.457 ( -20.366 14.413 0.000) 24.950 16.433 ( 0.365 2.075 0.000) 2.107 16.464 ( -0.102 0.787 0.000) 0.793 19.010 ( 9.541 -4.189 0.000) 10.420 19.381 ( 2.523 2.026 0.000) 3.235 19.507 ( 12.810 0.151 0.000) 12.811 19.833 ( -8.783 5.738 0.000) 10.491 20.184 ( -3.491 -2.746 0.000) 4.441 20.471 ( -8.675 -6.543 0.000) 10.866 23.023 ( 14.450 -5.377 0.000) 15.418 23.862 ( -9.866 -9.403 0.000) 13.629 24.309 ( 39.364 -45.509 0.000) 60.172 24.496 ( 8.273 -14.142 0.000) 16.384 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 22.793 14.740 0.000) 27.144 1.287 ( 24.963 10.109 0.000) 26.933 1.553 ( 3.644 4.882 0.000) 6.092 1.685 ( -8.714 6.263 0.000) 10.731 1.764 ( -19.926 10.598 0.000) 22.569 1.866 ( -25.944 10.317 0.000) 27.920 2.235 ( 26.983 20.165 0.000) 33.686 2.422 ( 6.858 5.179 0.000) 8.594 2.498 ( -6.181 5.734 0.000) 8.431 2.547 ( -7.922 10.271 0.000) 12.971 2.650 ( 8.199 16.974 0.000) 18.850 2.762 ( 1.174 13.581 0.000) 13.631 3.082 ( 3.453 20.994 0.000) 21.276 3.189 ( 3.694 5.172 0.000) 6.356 3.248 ( -10.063 13.472 0.000) 16.815 3.446 ( -18.316 11.661 0.000) 21.713 3.570 ( -0.001 8.832 0.000) 8.832 3.589 ( 6.061 4.961 0.000) 7.832 3.631 ( 11.131 4.289 0.000) 11.929 3.795 ( -6.286 7.617 0.000) 9.876 3.853 ( -0.831 30.055 0.000) 30.066 3.907 ( -4.418 22.798 0.000) 23.223 4.136 ( -2.237 34.686 0.000) 34.758 4.176 ( -2.815 26.712 0.000) 26.860 4.463 ( 10.344 25.535 0.000) 27.551 4.486 ( 10.429 13.906 0.000) 17.382 4.568 ( 0.114 12.513 0.000) 12.514 4.674 ( -9.429 13.920 0.000) 16.812 5.082 ( -2.879 12.413 0.000) 12.742 5.144 ( -8.852 8.130 0.000) 12.019 5.773 ( 3.985 -7.181 0.000) 8.213 5.805 ( -0.771 -5.236 0.000) 5.292 6.102 ( 5.883 1.374 0.000) 6.041 6.193 ( -3.516 1.915 0.000) 4.004 6.373 ( 3.619 -3.446 0.000) 4.997 6.446 ( -3.887 -6.279 0.000) 7.384 6.805 ( 9.410 1.470 0.000) 9.524 6.866 ( 2.937 -6.144 0.000) 6.810 7.028 ( 3.838 -1.999 0.000) 4.327 7.063 ( -1.159 -6.152 0.000) 6.260 7.129 ( 4.778 -9.078 0.000) 10.259 7.288 ( -12.791 -5.701 0.000) 14.004 7.807 ( 8.861 -2.591 0.000) 9.232 7.825 ( 2.649 17.522 0.000) 17.721 7.877 ( -2.727 13.700 0.000) 13.969 7.941 ( -4.729 6.700 0.000) 8.201 8.187 ( 3.708 17.346 0.000) 17.738 8.236 ( -0.790 25.901 0.000) 25.913 8.457 ( 9.430 10.731 0.000) 14.285 8.716 ( -13.971 0.166 0.000) 13.972 9.025 ( 1.451 -1.792 0.000) 2.306 9.097 ( -10.436 1.825 0.000) 10.594 9.197 ( 14.899 7.506 0.000) 16.683 9.416 ( -7.619 8.430 0.000) 11.363 9.540 ( 4.753 2.893 0.000) 5.565 9.620 ( 0.515 -2.419 0.000) 2.473 9.697 ( -3.012 -2.867 0.000) 4.158 9.744 ( -14.620 8.046 0.000) 16.688 9.964 ( -2.087 7.032 0.000) 7.336 9.985 ( -4.415 4.563 0.000) 6.349 10.211 ( 7.110 8.625 0.000) 11.178 10.327 ( -4.928 10.262 0.000) 11.384 10.911 ( 12.688 9.898 0.000) 16.092 11.131 ( -10.840 7.622 0.000) 13.252 11.477 ( 0.072 -18.283 0.000) 18.283 11.495 ( -1.732 -16.679 0.000) 16.769 11.972 ( 4.279 -24.321 0.000) 24.694 11.986 ( 2.381 -24.601 0.000) 24.716 12.199 ( -0.348 6.756 0.000) 6.765 12.248 ( 0.917 -2.124 0.000) 2.313 12.263 ( -0.992 -2.023 0.000) 2.254 12.357 ( -19.027 21.791 0.000) 28.929 13.157 ( 2.566 16.534 0.000) 16.731 13.196 ( -3.586 22.512 0.000) 22.796 13.272 ( 13.586 19.974 0.000) 24.156 13.540 ( -17.740 33.551 0.000) 37.952 13.998 ( 6.841 4.592 0.000) 8.239 14.112 ( -5.073 4.593 0.000) 6.843 14.327 ( 9.468 2.508 0.000) 9.795 14.518 ( -10.571 -0.169 0.000) 10.573 15.201 ( -0.038 -5.149 0.000) 5.149 15.210 ( -1.540 -3.289 0.000) 3.631 15.421 ( 0.408 -3.000 0.000) 3.027 15.428 ( -0.325 -3.466 0.000) 3.481 16.446 ( 0.851 1.377 0.000) 1.619 16.459 ( -0.482 1.016 0.000) 1.124 19.192 ( 11.710 0.754 0.000) 11.734 19.385 ( -5.508 1.228 0.000) 5.643 19.618 ( 2.005 4.719 0.000) 5.127 19.659 ( -6.117 5.648 0.000) 8.325 20.156 ( 1.508 -1.743 0.000) 2.305 20.265 ( -10.346 -3.276 0.000) 10.852 23.337 ( 17.884 -7.569 0.000) 19.420 23.637 ( -14.571 -8.584 0.000) 16.912 24.638 ( 5.980 -19.197 0.000) 20.106 24.662 ( 5.279 -29.812 0.000) 30.276 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.000 31.612 0.000) 31.612 1.389 ( 0.000 34.317 0.000) 34.317 1.586 ( 0.000 9.182 0.000) 9.182 1.909 ( 0.000 -1.757 0.000) 1.757 2.215 ( 0.000 25.567 0.000) 25.567 2.503 ( 0.000 37.019 0.000) 37.019 2.525 ( 0.000 14.975 0.000) 14.975 2.650 ( 0.000 1.651 0.000) 1.651 2.754 ( 0.000 9.402 0.000) 9.402 2.920 ( 0.000 4.003 0.000) 4.003 2.940 ( 0.000 5.016 0.000) 5.016 2.973 ( 0.000 4.464 0.000) 4.464 3.101 ( 0.000 9.928 0.000) 9.928 3.224 ( 0.000 18.607 0.000) 18.607 3.296 ( 0.000 9.712 0.000) 9.712 3.702 ( 0.000 8.970 0.000) 8.970 3.790 ( 0.000 27.537 0.000) 27.537 3.792 ( 0.000 8.213 0.000) 8.213 3.845 ( 0.000 6.290 0.000) 6.290 4.035 ( 0.000 3.064 0.000) 3.064 4.203 ( 0.000 18.734 0.000) 18.734 4.259 ( 0.000 7.108 0.000) 7.108 4.489 ( 0.000 4.815 0.000) 4.815 4.691 ( 0.000 10.628 0.000) 10.628 4.998 ( 0.000 26.292 0.000) 26.292 5.065 ( 0.000 23.465 0.000) 23.465 5.243 ( 0.000 23.146 0.000) 23.146 5.318 ( 0.000 39.074 0.000) 39.074 5.352 ( 0.000 13.886 0.000) 13.886 5.505 ( 0.000 26.916 0.000) 26.916 5.647 ( 0.000 8.350 0.000) 8.350 5.996 ( 0.000 15.062 0.000) 15.062 6.052 ( 0.000 10.358 0.000) 10.358 6.135 ( 0.000 -1.100 0.000) 1.100 6.268 ( 0.000 5.173 0.000) 5.173 6.364 ( 0.000 6.452 0.000) 6.452 6.683 ( 0.000 5.349 0.000) 5.349 6.710 ( 0.000 -3.021 0.000) 3.021 6.895 ( 0.000 7.324 0.000) 7.324 6.932 ( 0.000 -7.345 0.000) 7.345 7.069 ( 0.000 -0.008 0.000) 0.008 7.492 ( 0.000 1.438 0.000) 1.438 7.639 ( 0.000 -2.493 0.000) 2.493 7.930 ( 0.000 -3.426 0.000) 3.426 8.127 ( 0.000 10.047 0.000) 10.047 8.298 ( 0.000 15.424 0.000) 15.424 8.378 ( 0.000 11.211 0.000) 11.211 8.582 ( 0.000 -8.002 0.000) 8.002 8.635 ( 0.000 18.100 0.000) 18.100 8.800 ( 0.000 16.775 0.000) 16.775 8.922 ( 0.000 14.170 0.000) 14.170 9.150 ( 0.000 9.857 0.000) 9.857 9.295 ( 0.000 -0.949 0.000) 0.949 9.311 ( 0.000 -5.239 0.000) 5.239 9.536 ( 0.000 6.660 0.000) 6.660 10.014 ( 0.000 -9.463 0.000) 9.463 10.017 ( 0.000 17.098 0.000) 17.098 10.029 ( 0.000 -4.523 0.000) 4.523 10.145 ( 0.000 0.710 0.000) 0.710 10.192 ( 0.000 11.222 0.000) 11.222 10.351 ( 0.000 -7.329 0.000) 7.329 10.353 ( 0.000 5.288 0.000) 5.288 10.837 ( 0.000 21.205 0.000) 21.205 11.193 ( 0.000 -28.254 0.000) 28.254 11.209 ( 0.000 -13.837 0.000) 13.837 11.253 ( 0.000 -27.569 0.000) 27.569 11.257 ( 0.000 -12.476 0.000) 12.476 11.599 ( 0.000 3.053 0.000) 3.053 12.151 ( 0.000 -9.330 0.000) 9.330 12.218 ( 0.000 -1.129 0.000) 1.129 12.290 ( 0.000 -1.189 0.000) 1.189 12.919 ( 0.000 -1.299 0.000) 1.299 13.036 ( 0.000 14.489 0.000) 14.489 13.491 ( 0.000 14.457 0.000) 14.457 13.745 ( 0.000 19.169 0.000) 19.169 14.046 ( 0.000 11.284 0.000) 11.284 14.260 ( 0.000 6.114 0.000) 6.114 14.270 ( 0.000 2.166 0.000) 2.166 14.593 ( 0.000 -7.030 0.000) 7.030 15.008 ( 0.000 3.183 0.000) 3.183 15.069 ( 0.000 -7.118 0.000) 7.118 15.302 ( 0.000 -4.007 0.000) 4.007 15.327 ( 0.000 -5.903 0.000) 5.903 16.447 ( 0.000 2.197 0.000) 2.197 16.497 ( 0.000 2.900 0.000) 2.900 17.476 ( 0.000 -23.566 0.000) 23.566 18.352 ( 0.000 10.289 0.000) 10.289 19.348 ( 0.000 -4.585 0.000) 4.585 19.503 ( 0.000 14.834 0.000) 14.834 20.089 ( 0.000 10.917 0.000) 10.917 20.176 ( 0.000 -0.043 0.000) 0.043 20.437 ( 0.000 -3.230 0.000) 3.230 22.870 ( 0.000 -2.559 0.000) 2.559 23.279 ( 0.000 -12.353 0.000) 12.353 23.697 ( 0.000 -16.443 0.000) 16.443 24.068 ( 0.000 -20.641 0.000) 20.641 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 3.705 29.398 0.000) 29.630 1.439 ( 8.159 27.629 0.000) 28.808 1.625 ( 4.290 10.660 0.000) 11.491 1.874 ( -3.291 2.011 0.000) 3.856 2.276 ( -0.926 11.546 0.000) 11.583 2.393 ( -6.480 16.687 0.000) 17.901 2.487 ( -24.109 5.063 0.000) 24.635 2.627 ( -2.616 2.453 0.000) 3.586 2.635 ( 12.559 39.185 0.000) 41.149 2.877 ( -0.451 11.135 0.000) 11.144 2.949 ( 2.047 11.369 0.000) 11.552 2.989 ( -4.145 14.366 0.000) 14.952 3.092 ( 9.342 4.037 0.000) 10.177 3.417 ( 10.820 5.531 0.000) 12.151 3.479 ( 11.902 14.954 0.000) 19.113 3.634 ( -6.117 16.160 0.000) 17.279 3.686 ( -5.668 5.864 0.000) 8.155 3.792 ( 1.053 19.929 0.000) 19.957 3.867 ( -1.204 7.770 0.000) 7.863 3.995 ( -4.539 2.572 0.000) 5.217 4.235 ( 2.915 15.997 0.000) 16.260 4.324 ( 5.502 7.610 0.000) 9.391 4.487 ( -2.623 5.853 0.000) 6.414 4.688 ( -4.115 12.834 0.000) 13.478 4.837 ( -6.772 25.984 0.000) 26.852 5.038 ( -1.903 24.796 0.000) 24.869 5.270 ( -0.646 42.009 0.000) 42.014 5.298 ( 4.793 28.610 0.000) 29.009 5.448 ( 4.775 15.131 0.000) 15.867 5.530 ( -0.515 23.691 0.000) 23.697 5.633 ( -0.691 8.170 0.000) 8.199 5.921 ( -7.545 17.424 0.000) 18.987 6.091 ( 3.294 8.460 0.000) 9.079 6.185 ( 5.719 -2.320 0.000) 6.172 6.278 ( -0.362 3.102 0.000) 3.123 6.376 ( 0.488 2.973 0.000) 3.013 6.723 ( 1.810 -2.217 0.000) 2.862 6.723 ( 6.018 5.796 0.000) 8.355 6.945 ( 4.396 4.820 0.000) 6.523 6.953 ( -0.235 -6.304 0.000) 6.308 7.033 ( -1.323 0.991 0.000) 1.653 7.496 ( -13.565 -1.963 0.000) 13.707 7.576 ( 7.859 -0.280 0.000) 7.864 7.909 ( -2.029 -3.335 0.000) 3.904 8.131 ( 0.778 10.960 0.000) 10.988 8.304 ( 2.637 10.136 0.000) 10.473 8.403 ( -1.233 18.004 0.000) 18.046 8.578 ( -0.458 -6.755 0.000) 6.770 8.684 ( 4.755 18.188 0.000) 18.799 8.819 ( 1.786 18.581 0.000) 18.667 8.964 ( 2.698 3.861 0.000) 4.710 9.175 ( -7.726 -4.863 0.000) 9.128 9.207 ( 8.606 15.900 0.000) 18.080 9.399 ( 4.542 -1.485 0.000) 4.779 9.545 ( 1.251 5.468 0.000) 5.610 9.831 ( -10.692 2.040 0.000) 10.885 9.909 ( -11.072 -2.288 0.000) 11.306 10.116 ( -2.111 3.555 0.000) 4.135 10.133 ( -10.250 3.040 0.000) 10.692 10.151 ( -6.114 4.962 0.000) 7.874 10.216 ( 10.262 7.506 0.000) 12.714 10.502 ( 5.141 2.747 0.000) 5.829 10.873 ( 3.588 13.174 0.000) 13.653 11.110 ( -4.137 -20.989 0.000) 21.393 11.123 ( -5.521 -19.870 0.000) 20.623 11.251 ( -1.714 -19.867 0.000) 19.941 11.398 ( 9.112 -19.218 0.000) 21.268 11.644 ( 2.735 2.201 0.000) 3.511 12.152 ( 0.096 -8.945 0.000) 8.945 12.167 ( -2.559 -3.363 0.000) 4.226 12.315 ( 2.410 3.778 0.000) 4.481 12.872 ( -5.612 0.524 0.000) 5.636 13.198 ( 15.164 13.101 0.000) 20.040 13.525 ( 4.523 17.343 0.000) 17.923 13.714 ( -3.510 19.478 0.000) 19.792 14.068 ( 2.471 10.666 0.000) 10.948 14.250 ( -2.548 2.773 0.000) 3.766 14.296 ( 3.756 5.110 0.000) 6.341 14.532 ( -6.140 -5.688 0.000) 8.370 14.998 ( -3.484 7.712 0.000) 8.463 15.068 ( 0.001 -6.889 0.000) 6.889 15.293 ( -1.427 -3.596 0.000) 3.869 15.332 ( 0.533 -5.518 0.000) 5.544 16.048 ( -79.798 20.051 0.000) 82.279 16.497 ( 0.059 2.956 0.000) 2.957 16.521 ( -8.648 7.419 0.000) 11.394 18.875 ( 21.938 -6.794 0.000) 22.966 19.365 ( 1.340 -5.461 0.000) 5.622 19.631 ( 9.975 9.985 0.000) 14.113 19.985 ( -9.577 9.032 0.000) 13.164 20.173 ( -0.704 3.271 0.000) 3.346 20.368 ( -7.470 -3.673 0.000) 8.325 22.916 ( 8.836 -5.163 0.000) 10.234 23.610 ( -8.519 -15.439 0.000) 17.633 23.649 ( 27.934 -24.945 0.000) 37.451 24.122 ( 4.352 -22.530 0.000) 22.947 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 11.486 17.018 0.000) 20.532 1.602 ( 6.910 15.553 0.000) 17.019 1.761 ( 11.703 16.574 0.000) 20.289 1.818 ( -0.909 7.984 0.000) 8.035 2.035 ( -22.678 8.074 0.000) 24.072 2.038 ( -16.684 15.572 0.000) 22.822 2.457 ( 6.105 6.953 0.000) 9.253 2.559 ( -4.820 3.233 0.000) 5.804 2.781 ( 3.831 20.630 0.000) 20.983 2.868 ( -5.847 16.925 0.000) 17.906 3.013 ( 10.262 21.070 0.000) 23.436 3.050 ( 4.484 14.274 0.000) 14.962 3.274 ( 9.271 5.364 0.000) 10.711 3.429 ( -9.470 7.328 0.000) 11.974 3.545 ( 4.287 20.510 0.000) 20.953 3.654 ( 10.803 3.357 0.000) 11.312 3.739 ( -3.861 9.097 0.000) 9.882 3.777 ( -2.251 18.118 0.000) 18.257 3.820 ( 0.916 14.893 0.000) 14.921 3.862 ( -9.058 1.941 0.000) 9.264 4.282 ( 2.199 15.280 0.000) 15.438 4.358 ( -7.702 16.019 0.000) 17.774 4.425 ( 5.504 8.578 0.000) 10.192 4.535 ( -6.973 13.439 0.000) 15.140 4.917 ( 7.849 16.681 0.000) 18.435 5.010 ( -2.117 22.238 0.000) 22.339 5.303 ( 3.416 45.594 0.000) 45.722 5.355 ( -0.495 44.461 0.000) 44.464 5.483 ( 0.138 23.047 0.000) 23.047 5.490 ( -1.490 15.620 0.000) 15.691 5.657 ( 3.412 3.373 0.000) 4.798 5.763 ( -8.270 14.080 0.000) 16.329 6.155 ( 3.746 4.442 0.000) 5.811 6.229 ( -4.160 1.349 0.000) 4.374 6.300 ( 5.513 -0.133 0.000) 5.515 6.367 ( -1.810 1.589 0.000) 2.408 6.782 ( 4.420 -1.845 0.000) 4.789 6.855 ( -0.320 2.748 0.000) 2.767 6.939 ( 7.441 -2.789 0.000) 7.947 7.011 ( 1.859 1.709 0.000) 2.525 7.055 ( 2.385 -0.338 0.000) 2.409 7.223 ( -14.806 -1.288 0.000) 14.862 7.730 ( 7.962 -3.384 0.000) 8.651 7.847 ( -4.849 -4.730 0.000) 6.774 8.174 ( 4.396 14.791 0.000) 15.431 8.286 ( -6.680 18.221 0.000) 19.406 8.443 ( 7.870 5.463 0.000) 9.580 8.553 ( -3.084 -2.910 0.000) 4.240 8.770 ( 4.367 19.637 0.000) 20.117 8.834 ( -1.393 21.509 0.000) 21.554 8.984 ( 0.693 0.163 0.000) 0.711 9.038 ( -6.072 -3.417 0.000) 6.967 9.469 ( 16.049 15.702 0.000) 22.452 9.488 ( 5.963 -1.270 0.000) 6.097 9.601 ( 4.915 -0.693 0.000) 4.964 9.643 ( -7.444 0.823 0.000) 7.490 9.686 ( -11.160 6.872 0.000) 13.106 9.869 ( -16.747 0.934 0.000) 16.773 10.085 ( -0.797 5.547 0.000) 5.604 10.094 ( -1.772 7.403 0.000) 7.612 10.397 ( 8.984 8.863 0.000) 12.620 10.519 ( -3.492 7.906 0.000) 8.643 10.947 ( 4.133 -5.271 0.000) 6.698 11.027 ( -4.781 -15.860 0.000) 16.565 11.099 ( 3.080 -17.917 0.000) 18.180 11.186 ( -5.113 -17.826 0.000) 18.544 11.549 ( 7.065 -14.415 0.000) 16.053 11.644 ( -2.943 -5.868 0.000) 6.564 12.153 ( 0.118 -6.194 0.000) 6.195 12.154 ( 0.064 -7.879 0.000) 7.879 12.433 ( 11.708 12.450 0.000) 17.091 12.694 ( -13.894 8.492 0.000) 16.283 13.455 ( 10.421 13.606 0.000) 17.139 13.613 ( -7.444 18.983 0.000) 20.391 13.734 ( 20.350 25.100 0.000) 32.313 14.140 ( 5.681 9.963 0.000) 11.469 14.141 ( -13.178 9.094 0.000) 16.011 14.342 ( -17.890 15.131 0.000) 23.430 14.389 ( 6.363 2.707 0.000) 6.915 14.604 ( -26.613 20.607 0.000) 33.658 15.077 ( 1.204 -5.860 0.000) 5.982 15.131 ( -6.735 -3.373 0.000) 7.533 15.342 ( 0.365 -4.852 0.000) 4.865 15.351 ( -1.867 -3.969 0.000) 4.387 16.494 ( 0.118 3.785 0.000) 3.786 16.497 ( -0.109 3.190 0.000) 3.191 19.165 ( 12.880 -4.247 0.000) 13.562 19.346 ( -5.352 -6.419 0.000) 8.357 19.760 ( 3.735 9.015 0.000) 9.758 19.822 ( -5.865 10.361 0.000) 11.906 20.161 ( 0.148 3.174 0.000) 3.177 20.218 ( -6.723 -0.494 0.000) 6.741 23.153 ( 14.938 -10.246 0.000) 18.114 23.412 ( -12.851 -13.435 0.000) 18.592 24.046 ( 13.779 -30.058 0.000) 33.066 24.167 ( -0.781 -26.529 0.000) 26.540 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 15.060 0.000) 15.060 1.926 ( 0.000 25.265 0.000) 25.265 1.954 ( 0.000 8.524 0.000) 8.524 2.052 ( 0.000 29.664 0.000) 29.664 2.465 ( 0.000 7.485 0.000) 7.485 2.676 ( 0.000 1.036 0.000) 1.036 2.810 ( 0.000 14.297 0.000) 14.297 2.912 ( 0.000 5.821 0.000) 5.821 3.025 ( 0.000 6.394 0.000) 6.394 3.043 ( 0.000 5.414 0.000) 5.414 3.058 ( 0.000 4.365 0.000) 4.365 3.238 ( 0.000 4.316 0.000) 4.316 3.384 ( 0.000 41.006 0.000) 41.006 3.458 ( 0.000 6.765 0.000) 6.765 3.515 ( 0.000 9.352 0.000) 9.352 3.846 ( 0.000 6.636 0.000) 6.636 3.885 ( 0.000 -0.725 0.000) 0.725 3.963 ( 0.000 9.049 0.000) 9.049 4.084 ( 0.000 1.511 0.000) 1.511 4.313 ( 0.000 23.503 0.000) 23.503 4.443 ( 0.000 10.973 0.000) 10.973 4.504 ( 0.000 0.691 0.000) 0.691 4.585 ( 0.000 20.096 0.000) 20.096 4.959 ( 0.000 14.773 0.000) 14.773 5.110 ( 0.000 -2.823 0.000) 2.823 5.370 ( 0.000 -2.378 0.000) 2.378 5.398 ( 0.000 15.654 0.000) 15.654 5.635 ( 0.000 3.280 0.000) 3.280 5.725 ( 0.000 7.977 0.000) 7.977 5.904 ( 0.000 10.817 0.000) 10.817 6.014 ( 0.000 0.271 0.000) 0.271 6.078 ( 0.000 14.942 0.000) 14.942 6.530 ( 0.000 33.540 0.000) 33.540 6.548 ( 0.000 30.011 0.000) 30.011 6.567 ( 0.000 9.060 0.000) 9.060 6.609 ( 0.000 10.663 0.000) 10.663 6.767 ( 0.000 3.871 0.000) 3.871 6.833 ( 0.000 28.867 0.000) 28.867 6.897 ( 0.000 9.321 0.000) 9.321 7.103 ( 0.000 13.817 0.000) 13.817 7.216 ( 0.000 14.398 0.000) 14.398 7.601 ( 0.000 10.238 0.000) 10.238 7.609 ( 0.000 0.438 0.000) 0.438 7.876 ( 0.000 0.797 0.000) 0.797 8.325 ( 0.000 10.725 0.000) 10.725 8.451 ( 0.000 -0.494 0.000) 0.494 8.470 ( 0.000 -0.677 0.000) 0.677 8.593 ( 0.000 13.696 0.000) 13.696 8.877 ( 0.000 -4.905 0.000) 4.905 8.893 ( 0.000 7.543 0.000) 7.543 9.032 ( 0.000 1.137 0.000) 1.137 9.185 ( 0.000 -10.762 0.000) 10.762 9.445 ( 0.000 10.186 0.000) 10.186 9.459 ( 0.000 7.276 0.000) 7.276 9.644 ( 0.000 -6.253 0.000) 6.253 9.816 ( 0.000 -7.652 0.000) 7.652 9.950 ( 0.000 7.209 0.000) 7.209 10.028 ( 0.000 -14.074 0.000) 14.074 10.236 ( 0.000 6.844 0.000) 6.844 10.378 ( 0.000 -5.209 0.000) 5.209 10.382 ( 0.000 17.820 0.000) 17.820 10.589 ( 0.000 14.141 0.000) 14.141 10.678 ( 0.000 -16.276 0.000) 16.276 10.835 ( 0.000 -10.970 0.000) 10.970 11.002 ( 0.000 -2.013 0.000) 2.013 11.089 ( 0.000 -3.719 0.000) 3.719 11.266 ( 0.000 19.660 0.000) 19.660 11.634 ( 0.000 -3.000 0.000) 3.000 11.901 ( 0.000 -16.112 0.000) 16.112 12.233 ( 0.000 2.419 0.000) 2.419 12.268 ( 0.000 -0.508 0.000) 0.508 12.843 ( 0.000 -5.917 0.000) 5.917 13.320 ( 0.000 12.805 0.000) 12.805 13.815 ( 0.000 19.630 0.000) 19.630 14.079 ( 0.000 13.638 0.000) 13.638 14.233 ( 0.000 -5.788 0.000) 5.788 14.267 ( 0.000 10.830 0.000) 10.830 14.288 ( 0.000 -5.106 0.000) 5.106 14.416 ( 0.000 -10.229 0.000) 10.229 15.005 ( 0.000 2.114 0.000) 2.114 15.096 ( 0.000 4.773 0.000) 4.773 15.238 ( 0.000 -1.898 0.000) 1.898 15.286 ( 0.000 3.224 0.000) 3.224 16.485 ( 0.000 0.233 0.000) 0.233 16.595 ( 0.000 7.436 0.000) 7.436 17.082 ( 0.000 -13.833 0.000) 13.833 18.512 ( 0.000 4.761 0.000) 4.761 19.151 ( 0.000 -14.550 0.000) 14.550 19.758 ( 0.000 10.892 0.000) 10.892 20.233 ( 0.000 4.602 0.000) 4.602 20.313 ( 0.000 10.818 0.000) 10.818 20.372 ( 0.000 -3.205 0.000) 3.205 22.813 ( 0.000 -3.100 0.000) 3.100 23.042 ( 0.000 -10.967 0.000) 10.967 23.351 ( 0.000 -17.856 0.000) 17.856 23.625 ( 0.000 -23.181 0.000) 23.181 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 1.911 15.624 0.000) 15.740 1.926 ( -2.896 13.941 0.000) 14.238 1.984 ( 5.924 22.582 0.000) 23.346 2.030 ( -0.863 22.380 0.000) 22.396 2.448 ( -3.091 7.281 0.000) 7.910 2.554 ( -18.396 2.185 0.000) 18.525 2.702 ( -5.753 5.023 0.000) 7.637 2.708 ( -7.029 14.958 0.000) 16.527 3.031 ( 1.083 7.698 0.000) 7.774 3.143 ( 4.940 8.702 0.000) 10.007 3.161 ( 7.880 5.202 0.000) 9.442 3.225 ( -0.783 8.789 0.000) 8.824 3.421 ( 3.451 22.592 0.000) 22.854 3.563 ( 10.130 16.841 0.000) 19.653 3.715 ( 4.168 -1.648 0.000) 4.482 3.766 ( 2.132 11.077 0.000) 11.281 3.838 ( -1.142 7.430 0.000) 7.518 3.996 ( -1.772 4.699 0.000) 5.022 4.036 ( -2.209 2.862 0.000) 3.615 4.251 ( -3.289 22.647 0.000) 22.884 4.491 ( 2.452 12.722 0.000) 12.957 4.562 ( 4.046 3.655 0.000) 5.453 4.598 ( 2.099 17.205 0.000) 17.333 4.953 ( -0.890 13.934 0.000) 13.962 5.174 ( 6.078 -0.927 0.000) 6.149 5.215 ( -9.648 12.294 0.000) 15.627 5.453 ( 1.223 0.740 0.000) 1.430 5.560 ( -6.449 2.487 0.000) 6.912 5.798 ( 5.738 6.694 0.000) 8.817 5.925 ( 0.189 9.790 0.000) 9.792 6.037 ( 3.226 0.797 0.000) 3.323 6.078 ( 0.022 14.812 0.000) 14.812 6.518 ( -1.670 27.492 0.000) 27.542 6.540 ( 0.942 34.183 0.000) 34.196 6.600 ( 3.401 13.215 0.000) 13.645 6.626 ( 1.299 17.558 0.000) 17.606 6.806 ( -2.467 24.601 0.000) 24.724 6.829 ( 5.168 2.719 0.000) 5.840 6.909 ( 1.451 8.560 0.000) 8.682 7.119 ( 1.369 12.565 0.000) 12.639 7.186 ( -2.307 14.152 0.000) 14.339 7.489 ( -11.626 2.646 0.000) 11.923 7.648 ( 4.246 8.511 0.000) 9.511 7.854 ( -2.458 0.621 0.000) 2.535 8.343 ( 2.565 10.485 0.000) 10.794 8.410 ( -0.833 1.764 0.000) 1.951 8.472 ( 0.220 -0.818 0.000) 0.847 8.702 ( 4.175 12.061 0.000) 12.763 8.876 ( 0.222 3.060 0.000) 3.068 8.930 ( 5.218 -4.045 0.000) 6.602 9.074 ( 4.677 5.450 0.000) 7.182 9.144 ( -3.384 -4.775 0.000) 5.852 9.468 ( 1.385 2.307 0.000) 2.691 9.473 ( 1.862 4.980 0.000) 5.317 9.598 ( -4.557 -6.516 0.000) 7.952 9.786 ( -2.553 -4.396 0.000) 5.084 9.914 ( -3.446 12.173 0.000) 12.652 9.985 ( -5.413 -10.527 0.000) 11.837 10.221 ( -1.191 7.037 0.000) 7.137 10.335 ( -4.621 4.302 0.000) 6.313 10.403 ( 1.739 8.801 0.000) 8.971 10.494 ( -5.497 -8.412 0.000) 10.049 10.693 ( 1.807 -14.411 0.000) 14.523 10.886 ( 1.414 7.804 0.000) 7.931 11.014 ( 0.719 -5.323 0.000) 5.372 11.058 ( -2.439 0.090 0.000) 2.441 11.286 ( 3.510 11.395 0.000) 11.923 11.635 ( -1.273 -5.934 0.000) 6.069 11.921 ( 2.010 -14.172 0.000) 14.314 12.114 ( -6.531 -1.533 0.000) 6.709 12.404 ( 9.347 4.031 0.000) 10.179 12.821 ( -2.540 -5.035 0.000) 5.639 13.437 ( 11.216 10.178 0.000) 15.146 13.916 ( 11.537 22.605 0.000) 25.379 14.037 ( -4.804 11.316 0.000) 12.293 14.244 ( 0.956 -3.114 0.000) 3.257 14.279 ( 1.066 6.830 0.000) 6.913 14.306 ( 2.449 -2.306 0.000) 3.364 14.374 ( -3.740 -8.652 0.000) 9.425 15.012 ( 1.002 2.616 0.000) 2.802 15.115 ( 1.077 4.801 0.000) 4.920 15.252 ( 1.233 -1.476 0.000) 1.923 15.276 ( -0.738 2.523 0.000) 2.629 16.198 ( -44.663 -0.140 0.000) 44.663 16.596 ( 0.201 7.514 0.000) 7.517 16.694 ( -13.740 9.715 0.000) 16.827 18.765 ( 17.457 -5.527 0.000) 18.311 19.154 ( 0.011 -14.975 0.000) 14.975 19.828 ( 6.389 9.128 0.000) 11.142 20.157 ( -6.885 7.609 0.000) 10.262 20.308 ( -1.162 8.746 0.000) 8.823 20.322 ( -4.564 -1.177 0.000) 4.714 22.823 ( 3.996 -4.265 0.000) 5.845 23.242 ( 16.355 -17.075 0.000) 23.644 23.285 ( -6.386 -16.622 0.000) 17.807 23.652 ( 1.772 -24.091 0.000) 24.156 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 1.683 14.195 0.000) 14.295 1.895 ( 0.174 14.498 0.000) 14.499 2.042 ( 2.749 16.155 0.000) 16.387 2.114 ( 5.331 16.152 0.000) 17.009 2.227 ( -10.896 12.232 0.000) 16.381 2.325 ( -9.450 12.687 0.000) 15.820 2.634 ( -1.103 10.719 0.000) 10.775 2.645 ( -1.925 5.639 0.000) 5.959 3.069 ( 3.076 9.997 0.000) 10.460 3.135 ( -3.689 10.162 0.000) 10.811 3.302 ( 6.667 10.066 0.000) 12.074 3.306 ( 7.288 5.679 0.000) 9.239 3.456 ( -0.610 11.133 0.000) 11.149 3.537 ( -10.178 3.234 0.000) 10.680 3.748 ( 7.990 9.060 0.000) 12.080 3.847 ( 4.369 9.752 0.000) 10.686 3.880 ( -6.927 3.866 0.000) 7.933 3.931 ( -1.331 6.314 0.000) 6.453 4.102 ( 9.224 13.217 0.000) 16.118 4.219 ( -2.353 22.526 0.000) 22.648 4.515 ( 1.791 10.626 0.000) 10.776 4.574 ( -2.887 9.715 0.000) 10.135 4.685 ( 7.289 16.488 0.000) 18.027 4.853 ( -10.021 17.088 0.000) 19.809 5.185 ( 7.052 10.261 0.000) 12.451 5.281 ( 2.911 6.803 0.000) 7.399 5.424 ( -6.458 -5.494 0.000) 8.479 5.435 ( -3.056 -5.869 0.000) 6.617 5.886 ( 2.868 4.154 0.000) 5.048 5.910 ( -0.837 6.632 0.000) 6.684 6.090 ( 1.413 14.871 0.000) 14.938 6.096 ( 1.767 6.996 0.000) 7.216 6.515 ( 1.182 32.906 0.000) 32.927 6.542 ( -1.040 36.576 0.000) 36.590 6.647 ( 1.225 23.334 0.000) 23.366 6.661 ( 1.209 26.117 0.000) 26.145 6.782 ( 1.714 5.505 0.000) 5.765 6.848 ( -3.182 -0.817 0.000) 3.285 7.014 ( 9.855 9.415 0.000) 13.630 7.136 ( -0.014 10.684 0.000) 10.684 7.160 ( -0.380 11.796 0.000) 11.802 7.250 ( -12.815 6.016 0.000) 14.157 7.725 ( 3.841 4.697 0.000) 6.067 7.793 ( -3.785 1.656 0.000) 4.132 8.433 ( 2.432 0.499 0.000) 2.483 8.438 ( 7.138 11.847 0.000) 13.831 8.472 ( 0.124 -3.047 0.000) 3.050 8.617 ( -9.640 8.707 0.000) 12.990 8.954 ( 4.796 5.559 0.000) 7.342 9.005 ( 0.103 -0.843 0.000) 0.849 9.125 ( 3.395 4.694 0.000) 5.793 9.162 ( 2.629 8.644 0.000) 9.034 9.462 ( -3.050 -12.333 0.000) 12.705 9.469 ( -2.329 -5.380 0.000) 5.862 9.593 ( 7.342 -2.020 0.000) 7.615 9.742 ( -4.133 -0.095 0.000) 4.134 9.843 ( -6.396 2.053 0.000) 6.717 9.847 ( -3.336 15.100 0.000) 15.464 10.211 ( 0.604 7.900 0.000) 7.923 10.250 ( -3.632 8.699 0.000) 9.427 10.429 ( 0.939 -7.698 0.000) 7.755 10.442 ( -1.030 -16.993 0.000) 17.024 10.751 ( 4.536 -8.517 0.000) 9.650 10.845 ( -4.949 0.125 0.000) 4.951 11.017 ( 0.050 8.859 0.000) 8.859 11.025 ( -0.981 7.296 0.000) 7.362 11.405 ( 8.397 -2.384 0.000) 8.729 11.555 ( -7.160 -6.636 0.000) 9.762 11.966 ( 2.756 -10.363 0.000) 10.723 12.023 ( -3.683 -5.967 0.000) 7.012 12.590 ( 10.135 2.979 0.000) 10.563 12.743 ( -6.268 -1.919 0.000) 6.556 13.668 ( 13.189 7.169 0.000) 15.012 13.894 ( -10.748 7.622 0.000) 13.176 14.176 ( 10.315 17.546 0.000) 20.353 14.252 ( -0.763 5.058 0.000) 5.115 14.296 ( 0.738 -3.981 0.000) 4.049 14.315 ( -2.025 -7.508 0.000) 7.777 14.479 ( 23.728 14.742 0.000) 27.935 15.047 ( 2.809 3.936 0.000) 4.835 15.102 ( -2.586 5.726 0.000) 6.283 15.206 ( -49.978 22.067 0.000) 54.632 15.272 ( 0.720 -0.741 0.000) 1.033 15.276 ( -1.770 -1.961 0.000) 2.641 16.601 ( 0.353 7.842 0.000) 7.850 16.613 ( -1.120 8.705 0.000) 8.776 19.013 ( 9.795 -11.060 0.000) 14.774 19.130 ( -3.307 -14.619 0.000) 14.989 19.939 ( 4.974 8.333 0.000) 9.704 20.030 ( -6.026 9.551 0.000) 11.293 20.255 ( -1.487 3.666 0.000) 3.956 20.272 ( -2.323 6.930 0.000) 7.309 22.959 ( 9.682 -8.999 0.000) 13.218 23.139 ( -9.362 -13.576 0.000) 16.491 23.513 ( 11.723 -23.655 0.000) 26.401 23.648 ( -3.164 -25.177 0.000) 25.375 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 0.000 9.052 0.000) 9.052 2.147 ( 0.000 15.954 0.000) 15.954 2.339 ( 0.000 16.201 0.000) 16.201 2.559 ( 0.000 2.054 0.000) 2.054 2.626 ( 0.000 26.811 0.000) 26.811 2.687 ( 0.000 0.128 0.000) 0.128 2.949 ( 0.000 -2.781 0.000) 2.781 3.052 ( 0.000 9.717 0.000) 9.717 3.146 ( 0.000 5.976 0.000) 5.976 3.146 ( 0.000 4.633 0.000) 4.633 3.152 ( 0.000 5.810 0.000) 5.810 3.296 ( 0.000 2.343 0.000) 2.343 3.549 ( 0.000 2.266 0.000) 2.266 3.598 ( 0.000 0.094 0.000) 0.094 3.848 ( 0.000 -2.986 0.000) 2.986 3.894 ( 0.000 7.876 0.000) 7.876 4.102 ( 0.000 4.243 0.000) 4.243 4.109 ( 0.000 1.637 0.000) 1.637 4.126 ( 0.000 22.850 0.000) 22.850 4.597 ( 0.000 9.391 0.000) 9.391 4.676 ( 0.000 12.765 0.000) 12.765 4.679 ( 0.000 14.061 0.000) 14.061 4.948 ( 0.000 9.721 0.000) 9.721 5.123 ( 0.000 9.851 0.000) 9.851 5.126 ( 0.000 -0.335 0.000) 0.335 5.407 ( 0.000 9.581 0.000) 9.581 5.639 ( 0.000 8.732 0.000) 8.732 5.661 ( 0.000 0.157 0.000) 0.157 5.772 ( 0.000 1.709 0.000) 1.709 6.101 ( 0.000 10.812 0.000) 10.812 6.124 ( 0.000 10.307 0.000) 10.307 6.231 ( 0.000 6.731 0.000) 6.731 6.630 ( 0.000 3.473 0.000) 3.473 6.686 ( 0.000 2.068 0.000) 2.068 6.840 ( 0.000 3.903 0.000) 3.903 7.034 ( 0.000 14.780 0.000) 14.780 7.171 ( 0.000 11.679 0.000) 11.679 7.181 ( 0.000 26.606 0.000) 26.606 7.308 ( 0.000 8.986 0.000) 8.986 7.438 ( 0.000 19.185 0.000) 19.185 7.569 ( 0.000 19.004 0.000) 19.004 7.793 ( 0.000 21.179 0.000) 21.179 7.856 ( 0.000 12.436 0.000) 12.436 8.021 ( 0.000 13.000 0.000) 13.000 8.408 ( 0.000 -3.701 0.000) 3.701 8.579 ( 0.000 7.889 0.000) 7.889 8.591 ( 0.000 16.331 0.000) 16.331 8.791 ( 0.000 1.115 0.000) 1.115 8.794 ( 0.000 4.899 0.000) 4.899 8.798 ( 0.000 -25.911 0.000) 25.911 8.977 ( 0.000 -10.185 0.000) 10.185 9.011 ( 0.000 7.359 0.000) 7.359 9.366 ( 0.000 -16.521 0.000) 16.521 9.367 ( 0.000 -5.598 0.000) 5.598 9.528 ( 0.000 -3.339 0.000) 3.339 9.813 ( 0.000 5.982 0.000) 5.982 9.845 ( 0.000 -1.722 0.000) 1.722 10.135 ( 0.000 5.811 0.000) 5.811 10.172 ( 0.000 -12.009 0.000) 12.009 10.359 ( 0.000 3.380 0.000) 3.380 10.510 ( 0.000 1.511 0.000) 1.511 10.598 ( 0.000 -8.212 0.000) 8.212 10.736 ( 0.000 7.240 0.000) 7.240 10.815 ( 0.000 5.029 0.000) 5.029 11.162 ( 0.000 11.150 0.000) 11.150 11.211 ( 0.000 17.020 0.000) 17.020 11.518 ( 0.000 -22.224 0.000) 22.224 11.538 ( 0.000 -2.562 0.000) 2.562 11.615 ( 0.000 14.660 0.000) 14.660 12.266 ( 0.000 0.445 0.000) 0.445 12.295 ( 0.000 3.768 0.000) 3.768 12.702 ( 0.000 -8.190 0.000) 8.190 13.485 ( 0.000 3.308 0.000) 3.308 14.038 ( 0.000 -11.444 0.000) 11.444 14.069 ( 0.000 -10.038 0.000) 10.038 14.110 ( 0.000 -11.105 0.000) 11.105 14.307 ( 0.000 21.851 0.000) 21.851 14.390 ( 0.000 9.695 0.000) 9.695 14.477 ( 0.000 10.655 0.000) 10.655 15.122 ( 0.000 8.096 0.000) 8.096 15.155 ( 0.000 0.509 0.000) 0.509 15.282 ( 0.000 6.216 0.000) 6.216 15.427 ( 0.000 10.307 0.000) 10.307 16.387 ( 0.000 -9.313 0.000) 9.313 16.803 ( 0.000 13.893 0.000) 13.893 17.028 ( 0.000 7.684 0.000) 7.684 18.510 ( 0.000 -5.181 0.000) 5.181 18.814 ( 0.000 -18.852 0.000) 18.852 19.934 ( 0.000 7.094 0.000) 7.094 20.307 ( 0.000 2.158 0.000) 2.158 20.312 ( 0.000 -2.927 0.000) 2.927 20.476 ( 0.000 4.927 0.000) 4.927 22.752 ( 0.000 -2.908 0.000) 2.908 22.864 ( 0.000 -6.997 0.000) 6.997 23.023 ( 0.000 -14.774 0.000) 14.774 23.191 ( 0.000 -19.925 0.000) 19.925 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -0.076 9.426 0.000) 9.426 2.156 ( 0.748 15.019 0.000) 15.038 2.357 ( 1.579 14.127 0.000) 14.215 2.526 ( -5.993 14.127 0.000) 15.345 2.578 ( -2.010 14.476 0.000) 14.615 2.599 ( -9.026 3.121 0.000) 9.550 2.803 ( -5.645 4.382 0.000) 7.146 2.957 ( -6.783 9.824 0.000) 11.938 3.157 ( 2.268 6.098 0.000) 6.506 3.252 ( 6.761 3.925 0.000) 7.818 3.288 ( 5.666 5.789 0.000) 8.100 3.336 ( 3.447 2.777 0.000) 4.427 3.557 ( 0.933 1.911 0.000) 2.126 3.612 ( -1.273 -6.773 0.000) 6.891 3.892 ( 7.115 0.397 0.000) 7.126 3.924 ( 2.947 6.280 0.000) 6.937 4.061 ( -3.107 4.344 0.000) 5.341 4.062 ( -6.311 16.551 0.000) 17.713 4.118 ( 1.330 3.127 0.000) 3.398 4.657 ( 1.504 19.074 0.000) 19.133 4.681 ( 7.407 9.027 0.000) 11.677 4.769 ( 1.752 14.141 0.000) 14.249 4.910 ( -0.308 10.218 0.000) 10.223 5.137 ( 1.004 1.746 0.000) 2.014 5.155 ( 3.201 3.098 0.000) 4.454 5.346 ( -5.346 7.904 0.000) 9.542 5.587 ( -5.938 9.735 0.000) 11.403 5.589 ( -6.119 0.808 0.000) 6.172 5.836 ( 5.055 2.868 0.000) 5.811 6.089 ( -2.633 10.132 0.000) 10.469 6.152 ( 4.260 9.326 0.000) 10.253 6.262 ( 2.889 8.564 0.000) 9.039 6.675 ( 4.455 3.318 0.000) 5.554 6.724 ( 4.161 2.608 0.000) 4.911 6.854 ( 1.052 2.594 0.000) 2.799 7.051 ( 1.311 13.695 0.000) 13.758 7.122 ( -2.570 14.476 0.000) 14.702 7.244 ( -6.677 8.426 0.000) 10.751 7.251 ( 5.083 23.195 0.000) 23.746 7.432 ( -0.523 18.993 0.000) 19.001 7.547 ( -1.805 20.442 0.000) 20.521 7.730 ( -6.159 22.393 0.000) 23.225 7.890 ( 3.121 12.644 0.000) 13.024 8.013 ( -1.029 14.693 0.000) 14.729 8.399 ( -0.086 -2.541 0.000) 2.542 8.496 ( -3.782 7.380 0.000) 8.293 8.634 ( -0.191 8.803 0.000) 8.805 8.819 ( 5.388 -10.215 0.000) 11.549 8.835 ( -1.821 0.782 0.000) 1.982 8.882 ( 6.421 -8.586 0.000) 10.722 8.938 ( 2.433 -1.181 0.000) 2.705 9.077 ( 5.010 -1.432 0.000) 5.211 9.282 ( -4.998 -13.136 0.000) 14.055 9.440 ( 4.089 -5.169 0.000) 6.591 9.475 ( -4.859 -2.272 0.000) 5.364 9.821 ( -2.652 -3.605 0.000) 4.476 9.879 ( 5.270 7.710 0.000) 9.339 10.099 ( -3.620 3.800 0.000) 5.248 10.142 ( -2.331 -11.778 0.000) 12.006 10.325 ( -2.992 1.967 0.000) 3.580 10.505 ( -5.990 1.178 0.000) 6.105 10.545 ( 2.099 5.218 0.000) 5.624 10.667 ( -4.982 6.960 0.000) 8.559 10.899 ( 3.827 -2.792 0.000) 4.737 11.154 ( -3.281 11.454 0.000) 11.914 11.219 ( 5.025 11.460 0.000) 12.513 11.476 ( -6.014 -5.016 0.000) 7.831 11.480 ( -3.095 -2.346 0.000) 3.883 11.695 ( 6.659 1.058 0.000) 6.743 12.114 ( -8.898 1.626 0.000) 9.045 12.446 ( 8.580 0.705 0.000) 8.609 12.693 ( -1.008 -7.622 0.000) 7.689 13.557 ( 7.136 1.479 0.000) 7.288 14.039 ( -5.380 -8.371 0.000) 9.951 14.065 ( 1.918 -14.035 0.000) 14.165 14.082 ( -0.630 -11.966 0.000) 11.982 14.389 ( 8.182 21.526 0.000) 23.028 14.405 ( 1.499 9.752 0.000) 9.867 14.501 ( 4.267 11.712 0.000) 12.465 15.140 ( 2.158 8.861 0.000) 9.120 15.161 ( 0.172 -0.490 0.000) 0.520 15.305 ( 2.244 6.669 0.000) 7.036 15.406 ( -2.230 10.147 0.000) 10.389 16.146 ( -25.931 -3.779 0.000) 26.205 16.808 ( 0.474 14.047 0.000) 14.055 16.928 ( -6.601 14.326 0.000) 15.774 18.613 ( 8.494 -10.405 0.000) 13.432 18.813 ( -0.173 -18.863 0.000) 18.864 19.978 ( 4.317 6.062 0.000) 7.442 20.265 ( -4.297 3.107 0.000) 5.303 20.305 ( -0.263 -1.026 0.000) 1.060 20.451 ( -2.612 4.573 0.000) 5.267 22.748 ( 1.274 -3.234 0.000) 3.476 22.966 ( 8.571 -10.958 0.000) 13.912 22.982 ( -3.851 -13.540 0.000) 14.077 23.208 ( 1.051 -20.093 0.000) 20.121 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 1.274 10.724 0.000) 10.799 2.158 ( -0.877 12.714 0.000) 12.744 2.365 ( -0.781 10.295 0.000) 10.324 2.402 ( -5.362 16.558 0.000) 17.404 2.496 ( 0.200 13.136 0.000) 13.137 2.540 ( -2.825 10.623 0.000) 10.992 2.775 ( 1.646 6.986 0.000) 7.178 2.843 ( -5.328 9.517 0.000) 10.907 3.213 ( 3.833 5.505 0.000) 6.708 3.287 ( -3.457 5.581 0.000) 6.565 3.370 ( 5.834 1.803 0.000) 6.106 3.422 ( 2.580 2.392 0.000) 3.518 3.555 ( -1.951 -1.114 0.000) 2.247 3.570 ( -0.502 1.828 0.000) 1.896 3.933 ( -2.476 1.336 0.000) 2.813 3.936 ( -3.515 6.592 0.000) 7.470 3.999 ( 2.812 6.860 0.000) 7.414 4.047 ( -1.366 4.673 0.000) 4.868 4.272 ( 16.267 4.229 0.000) 16.808 4.568 ( -13.871 9.628 0.000) 16.884 4.765 ( 3.309 15.089 0.000) 15.448 4.789 ( 2.504 11.918 0.000) 12.178 5.032 ( 8.712 18.163 0.000) 20.144 5.136 ( -2.400 8.265 0.000) 8.606 5.224 ( 4.260 -5.007 0.000) 6.574 5.278 ( -1.191 3.068 0.000) 3.291 5.451 ( -6.518 7.753 0.000) 10.129 5.465 ( -6.448 4.077 0.000) 7.629 5.930 ( 5.114 5.555 0.000) 7.551 6.020 ( -4.574 8.550 0.000) 9.696 6.246 ( 4.956 8.705 0.000) 10.017 6.298 ( -0.140 9.555 0.000) 9.556 6.770 ( 5.214 2.474 0.000) 5.772 6.825 ( 2.749 2.876 0.000) 3.979 6.872 ( 4.456 2.441 0.000) 5.081 7.033 ( -6.791 5.829 0.000) 8.950 7.091 ( -0.484 13.280 0.000) 13.289 7.110 ( -4.076 13.279 0.000) 13.890 7.357 ( 5.673 21.404 0.000) 22.144 7.419 ( -1.274 18.343 0.000) 18.387 7.528 ( 0.639 24.261 0.000) 24.270 7.602 ( -6.858 25.823 0.000) 26.718 7.946 ( 2.630 14.475 0.000) 14.712 7.985 ( -1.861 15.871 0.000) 15.980 8.419 ( 1.892 -1.513 0.000) 2.423 8.452 ( -1.587 1.567 0.000) 2.231 8.634 ( 1.816 3.683 0.000) 4.107 8.722 ( -7.121 1.457 0.000) 7.268 8.931 ( 5.546 -7.014 0.000) 8.942 8.991 ( -0.298 -6.365 0.000) 6.372 9.020 ( 8.415 -8.304 0.000) 11.822 9.163 ( -5.236 -11.836 0.000) 12.942 9.224 ( 7.225 1.116 0.000) 7.310 9.368 ( -6.868 0.025 0.000) 6.868 9.543 ( 7.870 -1.087 0.000) 7.945 9.713 ( -9.106 -1.990 0.000) 9.321 9.957 ( 3.014 1.404 0.000) 3.325 10.021 ( -4.275 0.267 0.000) 4.283 10.158 ( 4.851 -4.791 0.000) 6.818 10.258 ( -4.667 -0.955 0.000) 4.764 10.443 ( -0.534 9.360 0.000) 9.376 10.490 ( -5.300 14.452 0.000) 15.393 10.697 ( 6.711 0.002 0.000) 6.711 10.842 ( -7.982 -1.401 0.000) 8.104 11.198 ( 6.638 2.548 0.000) 7.110 11.301 ( 0.921 16.065 0.000) 16.092 11.360 ( -3.478 -11.352 0.000) 11.873 11.413 ( -4.157 4.101 0.000) 5.839 11.824 ( 7.212 -1.032 0.000) 7.285 11.960 ( -7.868 0.307 0.000) 7.874 12.581 ( 5.910 -2.738 0.000) 6.514 12.660 ( -2.833 -5.831 0.000) 6.482 13.716 ( 9.678 -2.177 0.000) 9.920 13.895 ( -9.438 -5.865 0.000) 11.112 14.083 ( 0.263 -12.620 0.000) 12.623 14.085 ( 0.290 -13.855 0.000) 13.858 14.436 ( 1.548 10.304 0.000) 10.419 14.453 ( 0.017 11.835 0.000) 11.835 14.784 ( 23.640 11.901 0.000) 26.466 15.117 ( -7.572 -2.326 0.000) 7.921 15.209 ( 5.739 11.285 0.000) 12.661 15.344 ( -5.323 9.603 0.000) 10.979 15.358 ( 3.959 9.163 0.000) 9.982 15.589 ( -27.713 14.119 0.000) 31.102 16.821 ( 1.050 14.547 0.000) 14.585 16.850 ( -2.418 15.366 0.000) 15.555 18.743 ( 5.070 -15.867 0.000) 16.657 18.800 ( -1.550 -18.303 0.000) 18.369 20.070 ( 5.325 4.885 0.000) 7.227 20.169 ( -5.594 4.468 0.000) 7.159 20.323 ( 2.483 2.230 0.000) 3.337 20.388 ( -4.036 3.816 0.000) 5.554 22.806 ( 4.593 -6.368 0.000) 7.851 22.898 ( -5.100 -10.423 0.000) 11.604 23.117 ( 6.973 -16.475 0.000) 17.889 23.202 ( -2.251 -19.481 0.000) 19.611 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 0.000 6.683 0.000) 6.683 2.436 ( 0.000 12.875 0.000) 12.875 2.535 ( 0.000 3.406 0.000) 3.406 2.552 ( 0.000 -2.459 0.000) 2.459 2.709 ( 0.000 2.867 0.000) 2.867 2.819 ( 0.000 -8.986 0.000) 8.986 3.049 ( 0.000 12.620 0.000) 12.620 3.169 ( 0.000 2.506 0.000) 2.506 3.278 ( 0.000 7.050 0.000) 7.050 3.281 ( 0.000 7.514 0.000) 7.514 3.288 ( 0.000 13.030 0.000) 13.030 3.349 ( 0.000 2.977 0.000) 2.977 3.554 ( 0.000 -3.707 0.000) 3.707 3.555 ( 0.000 -1.209 0.000) 1.209 3.758 ( 0.000 -6.216 0.000) 6.216 3.982 ( 0.000 1.554 0.000) 1.554 4.150 ( 0.000 2.093 0.000) 2.093 4.153 ( 0.000 1.653 0.000) 1.653 4.407 ( 0.000 6.170 0.000) 6.170 4.826 ( 0.000 -2.790 0.000) 2.790 4.834 ( 0.000 13.001 0.000) 13.001 4.951 ( 0.000 13.676 0.000) 13.676 5.010 ( 0.000 5.967 0.000) 5.967 5.101 ( 0.000 0.116 0.000) 0.116 5.439 ( 0.000 14.797 0.000) 14.797 5.616 ( 0.000 9.211 0.000) 9.211 5.673 ( 0.000 1.332 0.000) 1.332 5.752 ( 0.000 3.121 0.000) 3.121 5.921 ( 0.000 14.776 0.000) 14.776 6.326 ( 0.000 11.182 0.000) 11.182 6.365 ( 0.000 12.372 0.000) 12.372 6.403 ( 0.000 10.343 0.000) 10.343 6.726 ( 0.000 1.451 0.000) 1.451 6.754 ( 0.000 9.516 0.000) 9.516 6.884 ( 0.000 -0.615 0.000) 0.615 7.196 ( 0.000 4.186 0.000) 4.186 7.334 ( 0.000 5.271 0.000) 5.271 7.345 ( 0.000 -1.306 0.000) 1.306 7.526 ( 0.000 5.872 0.000) 5.872 7.736 ( 0.000 4.415 0.000) 4.415 7.896 ( 0.000 14.260 0.000) 14.260 8.042 ( 0.000 6.946 0.000) 6.946 8.173 ( 0.000 -0.964 0.000) 0.964 8.227 ( 0.000 18.786 0.000) 18.786 8.313 ( 0.000 -16.580 0.000) 16.580 8.379 ( 0.000 5.511 0.000) 5.511 8.562 ( 0.000 -5.146 0.000) 5.146 8.758 ( 0.000 -5.064 0.000) 5.064 8.785 ( 0.000 -4.239 0.000) 4.239 8.945 ( 0.000 16.376 0.000) 16.376 9.014 ( 0.000 -14.442 0.000) 14.442 9.043 ( 0.000 16.059 0.000) 16.059 9.263 ( 0.000 12.982 0.000) 12.982 9.423 ( 0.000 8.140 0.000) 8.140 9.427 ( 0.000 -2.751 0.000) 2.751 9.860 ( 0.000 -6.715 0.000) 6.715 9.903 ( 0.000 5.192 0.000) 5.192 10.061 ( 0.000 4.651 0.000) 4.651 10.124 ( 0.000 -6.569 0.000) 6.569 10.416 ( 0.000 -9.018 0.000) 9.018 10.424 ( 0.000 5.289 0.000) 5.289 10.479 ( 0.000 -9.850 0.000) 9.850 10.681 ( 0.000 -6.124 0.000) 6.124 10.848 ( 0.000 -13.081 0.000) 13.081 11.159 ( 0.000 -2.648 0.000) 2.648 11.408 ( 0.000 10.851 0.000) 10.851 11.496 ( 0.000 9.727 0.000) 9.727 11.610 ( 0.000 6.148 0.000) 6.148 11.840 ( 0.000 9.450 0.000) 9.450 12.287 ( 0.000 3.300 0.000) 3.300 12.414 ( 0.000 7.100 0.000) 7.100 12.524 ( 0.000 -9.873 0.000) 9.873 13.479 ( 0.000 -2.312 0.000) 2.312 13.770 ( 0.000 -13.076 0.000) 13.076 13.873 ( 0.000 -8.868 0.000) 8.868 13.888 ( 0.000 -9.758 0.000) 9.758 14.603 ( 0.000 11.050 0.000) 11.050 14.682 ( 0.000 9.618 0.000) 9.618 14.714 ( 0.000 15.682 0.000) 15.682 15.113 ( 0.000 -4.484 0.000) 4.484 15.296 ( 0.000 9.623 0.000) 9.623 15.442 ( 0.000 8.342 0.000) 8.342 15.655 ( 0.000 11.895 0.000) 11.895 16.202 ( 0.000 -8.535 0.000) 8.535 17.139 ( 0.000 19.810 0.000) 19.810 17.284 ( 0.000 16.475 0.000) 16.475 18.319 ( 0.000 -13.496 0.000) 13.496 18.424 ( 0.000 -20.519 0.000) 20.519 20.047 ( 0.000 4.535 0.000) 4.535 20.253 ( 0.000 -3.110 0.000) 3.110 20.319 ( 0.000 -0.341 0.000) 0.341 20.495 ( 0.000 -2.676 0.000) 2.676 22.704 ( 0.000 -1.834 0.000) 1.834 22.760 ( 0.000 -3.853 0.000) 3.853 22.785 ( 0.000 -9.073 0.000) 9.073 22.865 ( 0.000 -12.755 0.000) 12.755 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 0.889 7.269 0.000) 7.323 2.419 ( -1.525 10.927 0.000) 11.033 2.525 ( -0.898 4.749 0.000) 4.833 2.562 ( 0.850 -1.529 0.000) 1.750 2.696 ( -0.518 5.373 0.000) 5.397 2.829 ( 1.449 -2.636 0.000) 3.009 2.972 ( -7.733 14.322 0.000) 16.276 3.101 ( -5.617 5.251 0.000) 7.689 3.290 ( 0.719 7.171 0.000) 7.207 3.341 ( 4.214 7.436 0.000) 8.548 3.365 ( 7.403 2.412 0.000) 7.786 3.381 ( 2.486 3.332 0.000) 4.157 3.502 ( -3.933 -3.896 0.000) 5.536 3.560 ( 0.520 -1.266 0.000) 1.368 3.819 ( 5.117 -6.714 0.000) 8.442 3.989 ( 0.380 0.086 0.000) 0.389 4.139 ( -1.159 2.235 0.000) 2.518 4.163 ( 2.431 2.394 0.000) 3.412 4.273 ( -10.547 6.391 0.000) 12.332 4.816 ( -6.876 -8.052 0.000) 10.588 4.896 ( 6.136 11.543 0.000) 13.073 5.002 ( 0.957 11.163 0.000) 11.204 5.061 ( 11.607 11.745 0.000) 16.513 5.134 ( 3.094 0.591 0.000) 3.150 5.377 ( -5.120 13.455 0.000) 14.396 5.533 ( -6.605 9.152 0.000) 11.287 5.631 ( -3.788 3.740 0.000) 5.323 5.741 ( -3.109 5.182 0.000) 6.044 5.995 ( 6.595 13.662 0.000) 15.170 6.322 ( -2.346 12.213 0.000) 12.436 6.361 ( 1.830 10.825 0.000) 10.978 6.454 ( 4.176 10.522 0.000) 11.320 6.761 ( 4.065 0.856 0.000) 4.154 6.787 ( 3.265 8.531 0.000) 9.135 6.890 ( 0.675 0.265 0.000) 0.726 7.187 ( -1.895 2.951 0.000) 3.507 7.265 ( -5.074 3.094 0.000) 5.943 7.293 ( -4.919 -0.471 0.000) 4.941 7.607 ( 6.402 7.599 0.000) 9.936 7.738 ( 0.128 4.992 0.000) 4.994 7.902 ( 0.790 14.764 0.000) 14.785 8.049 ( 0.769 3.470 0.000) 3.554 8.115 ( -5.049 7.302 0.000) 8.878 8.183 ( -3.767 6.049 0.000) 7.126 8.343 ( 3.336 -12.514 0.000) 12.951 8.428 ( 3.660 9.670 0.000) 10.339 8.570 ( 0.726 -2.465 0.000) 2.570 8.721 ( -3.341 -4.903 0.000) 5.933 8.856 ( 5.554 -3.777 0.000) 6.717 8.931 ( -0.843 11.320 0.000) 11.351 9.015 ( 0.119 -13.263 0.000) 13.264 9.053 ( 0.411 14.535 0.000) 14.541 9.237 ( -0.856 12.968 0.000) 12.996 9.419 ( -1.079 -1.182 0.000) 1.601 9.474 ( 4.332 6.445 0.000) 7.765 9.807 ( -5.116 -3.926 0.000) 6.449 9.883 ( -1.408 -0.165 0.000) 1.418 10.066 ( -5.489 -5.803 0.000) 7.988 10.132 ( 6.140 7.048 0.000) 9.347 10.387 ( -2.815 3.683 0.000) 4.635 10.433 ( 2.366 -6.924 0.000) 7.317 10.532 ( 4.215 -8.562 0.000) 9.543 10.680 ( -0.756 -4.315 0.000) 4.381 10.822 ( -3.161 -14.741 0.000) 15.076 11.157 ( 0.570 2.595 0.000) 2.657 11.368 ( -4.138 8.474 0.000) 9.431 11.514 ( 1.429 6.567 0.000) 6.721 11.588 ( -2.031 8.037 0.000) 8.290 11.863 ( 2.582 9.953 0.000) 10.283 12.190 ( -7.825 6.505 0.000) 10.176 12.468 ( 3.584 1.933 0.000) 4.072 12.527 ( 0.257 -9.256 0.000) 9.260 13.523 ( 4.454 -3.388 0.000) 5.596 13.783 ( 1.264 -13.274 0.000) 13.334 13.847 ( -4.291 -9.168 0.000) 10.122 13.863 ( -1.038 -9.618 0.000) 9.674 14.614 ( 1.209 10.795 0.000) 10.862 14.677 ( -0.280 10.033 0.000) 10.037 14.779 ( 6.577 12.140 0.000) 13.807 15.106 ( -1.014 -4.682 0.000) 4.790 15.335 ( 4.258 10.623 0.000) 11.444 15.472 ( 3.169 8.623 0.000) 9.187 15.632 ( -2.406 11.774 0.000) 12.017 16.072 ( -13.262 -3.797 0.000) 13.794 17.146 ( 0.751 19.872 0.000) 19.886 17.253 ( -2.812 18.197 0.000) 18.413 18.353 ( 2.936 -15.686 0.000) 15.958 18.424 ( -0.005 -20.435 0.000) 20.435 20.074 ( 2.806 3.907 0.000) 4.811 20.270 ( 1.962 -2.579 0.000) 3.240 20.290 ( -2.937 0.231 0.000) 2.946 20.469 ( -2.709 -2.510 0.000) 3.693 22.698 ( -0.004 -1.820 0.000) 1.820 22.767 ( -1.577 -8.067 0.000) 8.220 22.800 ( 3.438 -6.174 0.000) 7.067 22.881 ( 1.137 -12.841 0.000) 12.891 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 2.704 8.386 0.000) 8.811 2.380 ( -2.992 9.559 0.000) 10.016 2.529 ( 1.874 6.131 0.000) 6.411 2.565 ( -1.013 2.159 0.000) 2.385 2.712 ( 2.707 8.360 0.000) 8.787 2.812 ( -8.220 13.411 0.000) 15.730 2.886 ( 4.766 3.325 0.000) 5.811 2.990 ( -6.224 5.293 0.000) 8.170 3.313 ( 2.198 5.076 0.000) 5.532 3.371 ( -3.551 3.267 0.000) 4.826 3.412 ( 3.065 3.779 0.000) 4.866 3.439 ( 0.284 1.172 0.000) 1.206 3.518 ( 4.805 -2.058 0.000) 5.227 3.566 ( -0.439 -1.652 0.000) 1.709 3.896 ( 3.304 -5.671 0.000) 6.564 3.966 ( -3.651 -3.357 0.000) 4.960 4.117 ( -0.926 3.101 0.000) 3.236 4.128 ( -3.567 6.260 0.000) 7.205 4.304 ( 13.296 -0.342 0.000) 13.301 4.589 ( -15.920 -5.499 0.000) 16.843 5.019 ( 5.831 10.353 0.000) 11.882 5.046 ( 2.565 11.763 0.000) 12.039 5.178 ( 0.846 1.227 0.000) 1.490 5.201 ( -0.901 2.245 0.000) 2.419 5.371 ( 7.658 15.179 0.000) 17.001 5.446 ( -1.789 10.300 0.000) 10.455 5.557 ( -3.085 5.689 0.000) 6.471 5.625 ( -8.506 7.896 0.000) 11.606 6.124 ( 7.059 13.245 0.000) 15.009 6.243 ( -5.691 12.908 0.000) 14.107 6.429 ( 4.518 9.055 0.000) 10.120 6.490 ( -1.125 9.339 0.000) 9.406 6.855 ( 3.672 6.509 0.000) 7.473 6.887 ( 9.099 -0.210 0.000) 9.102 6.899 ( -0.026 4.421 0.000) 4.421 7.077 ( -9.749 0.719 0.000) 9.775 7.201 ( -1.160 0.960 0.000) 1.506 7.221 ( -2.563 0.922 0.000) 2.724 7.704 ( 3.509 7.826 0.000) 8.577 7.737 ( -0.516 6.534 0.000) 6.554 7.937 ( 3.389 15.008 0.000) 15.385 8.019 ( -5.165 12.775 0.000) 13.779 8.071 ( 1.764 -1.631 0.000) 2.402 8.116 ( -3.211 -1.303 0.000) 3.465 8.426 ( 5.002 -3.301 0.000) 5.993 8.474 ( 0.568 8.393 0.000) 8.412 8.583 ( 0.946 1.874 0.000) 2.099 8.638 ( -5.059 -2.629 0.000) 5.701 8.930 ( 1.637 -4.218 0.000) 4.524 8.930 ( 0.618 0.656 0.000) 0.901 9.023 ( 1.017 -1.731 0.000) 2.008 9.046 ( -1.100 9.621 0.000) 9.684 9.279 ( 5.226 6.332 0.000) 8.210 9.375 ( -4.049 1.277 0.000) 4.246 9.564 ( 5.669 2.703 0.000) 6.281 9.686 ( -7.422 -2.193 0.000) 7.739 9.886 ( 2.167 -1.009 0.000) 2.390 9.959 ( -5.463 -3.532 0.000) 6.505 10.241 ( 5.369 6.255 0.000) 8.243 10.326 ( -3.958 4.955 0.000) 6.342 10.514 ( 6.115 -3.733 0.000) 7.164 10.604 ( 0.434 -11.681 0.000) 11.689 10.648 ( 0.299 -0.472 0.000) 0.558 10.735 ( -5.752 -12.143 0.000) 13.436 11.195 ( 3.495 5.809 0.000) 6.780 11.277 ( -5.196 6.155 0.000) 8.055 11.535 ( 0.895 5.147 0.000) 5.224 11.554 ( -1.421 7.717 0.000) 7.847 11.934 ( 5.096 9.739 0.000) 10.992 12.047 ( -7.252 8.387 0.000) 11.088 12.516 ( 1.591 -3.476 0.000) 3.823 12.530 ( -0.086 -7.229 0.000) 7.230 13.625 ( 6.341 -5.525 0.000) 8.410 13.744 ( -6.476 -7.630 0.000) 10.008 13.811 ( 1.598 -12.877 0.000) 12.976 13.839 ( -1.493 -11.324 0.000) 11.422 14.642 ( 1.593 10.254 0.000) 10.377 14.666 ( -0.983 9.925 0.000) 9.973 14.930 ( 8.820 3.485 0.000) 9.484 15.059 ( -4.680 -3.491 0.000) 5.839 15.450 ( 7.715 12.025 0.000) 14.287 15.562 ( 7.436 9.466 0.000) 12.038 15.567 ( -4.784 11.537 0.000) 12.490 15.783 ( -16.097 6.060 0.000) 17.200 17.167 ( 1.527 19.981 0.000) 20.039 17.203 ( -2.422 19.743 0.000) 19.891 18.400 ( 1.907 -18.623 0.000) 18.720 18.421 ( -0.483 -20.002 0.000) 20.008 20.140 ( 4.241 2.684 0.000) 5.019 20.221 ( -4.375 1.455 0.000) 4.610 20.325 ( 3.905 -1.957 0.000) 4.367 20.403 ( -4.299 -2.113 0.000) 4.790 22.710 ( 1.202 -3.369 0.000) 3.577 22.736 ( -1.645 -5.827 0.000) 6.055 22.860 ( 2.708 -9.758 0.000) 10.127 22.890 ( -0.436 -12.145 0.000) 12.152 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 0.000 4.756 0.000) 4.756 2.482 ( 0.000 -4.213 0.000) 4.213 2.564 ( 0.000 1.881 0.000) 1.881 2.643 ( 0.000 7.308 0.000) 7.308 2.651 ( 0.000 -6.360 0.000) 6.360 2.739 ( 0.000 -1.410 0.000) 1.410 3.157 ( 0.000 2.143 0.000) 2.143 3.183 ( 0.000 -0.563 0.000) 0.563 3.408 ( 0.000 2.925 0.000) 2.925 3.416 ( 0.000 5.800 0.000) 5.800 3.425 ( 0.000 6.516 0.000) 6.516 3.485 ( 0.000 -1.640 0.000) 1.640 3.505 ( 0.000 -3.032 0.000) 3.032 3.610 ( 0.000 -8.422 0.000) 8.422 3.632 ( 0.000 17.149 0.000) 17.149 3.910 ( 0.000 -9.566 0.000) 9.566 4.176 ( 0.000 0.677 0.000) 0.677 4.177 ( 0.000 0.620 0.000) 0.620 4.508 ( 0.000 6.529 0.000) 6.529 4.674 ( 0.000 -9.489 0.000) 9.489 5.051 ( 0.000 7.701 0.000) 7.701 5.119 ( 0.000 0.151 0.000) 0.151 5.137 ( 0.000 4.351 0.000) 4.351 5.140 ( 0.000 4.635 0.000) 4.635 5.643 ( 0.000 6.117 0.000) 6.117 5.696 ( 0.000 0.098 0.000) 0.098 5.743 ( 0.000 3.724 0.000) 3.724 5.778 ( 0.000 -0.198 0.000) 0.198 6.318 ( 0.000 23.202 0.000) 23.202 6.510 ( 0.000 6.533 0.000) 6.533 6.542 ( 0.000 4.046 0.000) 4.046 6.602 ( 0.000 8.240 0.000) 8.240 6.721 ( 0.000 -2.567 0.000) 2.567 6.741 ( 0.000 -15.277 0.000) 15.277 7.019 ( 0.000 17.262 0.000) 17.262 7.242 ( 0.000 0.209 0.000) 0.209 7.310 ( 0.000 -1.340 0.000) 1.340 7.389 ( 0.000 1.070 0.000) 1.070 7.444 ( 0.000 -6.421 0.000) 6.421 7.471 ( 0.000 -21.276 0.000) 21.276 8.122 ( 0.000 5.984 0.000) 5.984 8.139 ( 0.000 2.693 0.000) 2.693 8.249 ( 0.000 7.430 0.000) 7.430 8.338 ( 0.000 13.465 0.000) 13.465 8.433 ( 0.000 -8.375 0.000) 8.375 8.477 ( 0.000 4.364 0.000) 4.364 8.504 ( 0.000 6.512 0.000) 6.512 8.662 ( 0.000 -8.397 0.000) 8.397 8.736 ( 0.000 -0.642 0.000) 0.642 8.757 ( 0.000 -7.888 0.000) 7.888 9.187 ( 0.000 7.516 0.000) 7.516 9.235 ( 0.000 2.787 0.000) 2.787 9.505 ( 0.000 9.382 0.000) 9.382 9.560 ( 0.000 14.230 0.000) 14.230 9.603 ( 0.000 8.143 0.000) 8.143 9.691 ( 0.000 -8.847 0.000) 8.847 9.967 ( 0.000 -5.855 0.000) 5.855 10.042 ( 0.000 10.238 0.000) 10.238 10.126 ( 0.000 -19.698 0.000) 19.698 10.169 ( 0.000 3.732 0.000) 3.732 10.275 ( 0.000 -4.733 0.000) 4.733 10.404 ( 0.000 -22.456 0.000) 22.456 10.544 ( 0.000 5.797 0.000) 5.797 10.627 ( 0.000 -2.406 0.000) 2.406 11.335 ( 0.000 12.337 0.000) 12.337 11.531 ( 0.000 -5.736 0.000) 5.736 11.566 ( 0.000 5.734 0.000) 5.734 11.648 ( 0.000 -2.201 0.000) 2.201 12.057 ( 0.000 12.664 0.000) 12.664 12.307 ( 0.000 -12.106 0.000) 12.106 12.413 ( 0.000 7.672 0.000) 7.672 12.501 ( 0.000 0.133 0.000) 0.133 13.459 ( 0.000 1.555 0.000) 1.555 13.557 ( 0.000 -8.177 0.000) 8.177 13.749 ( 0.000 -3.244 0.000) 3.244 13.753 ( 0.000 -3.648 0.000) 3.648 14.814 ( 0.000 10.030 0.000) 10.030 14.838 ( 0.000 5.723 0.000) 5.723 14.882 ( 0.000 2.062 0.000) 2.062 14.990 ( 0.000 -7.730 0.000) 7.730 15.482 ( 0.000 7.706 0.000) 7.706 15.549 ( 0.000 1.398 0.000) 1.398 15.873 ( 0.000 9.911 0.000) 9.911 16.045 ( 0.000 -7.866 0.000) 7.866 17.563 ( 0.000 22.484 0.000) 22.484 17.638 ( 0.000 18.752 0.000) 18.752 18.004 ( 0.000 -17.827 0.000) 17.827 18.005 ( 0.000 -21.952 0.000) 21.952 20.123 ( 0.000 3.473 0.000) 3.473 20.189 ( 0.000 -3.279 0.000) 3.279 20.328 ( 0.000 2.028 0.000) 2.028 20.405 ( 0.000 -5.254 0.000) 5.254 22.670 ( 0.000 -2.445 0.000) 2.445 22.685 ( 0.000 -0.019 0.000) 0.019 22.692 ( 0.000 -4.816 0.000) 4.816 22.704 ( 0.000 -1.898 0.000) 1.898 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 1.920 5.206 0.000) 5.549 2.503 ( 2.158 -4.082 0.000) 4.617 2.565 ( 0.364 5.127 0.000) 5.140 2.624 ( -2.105 3.092 0.000) 3.741 2.734 ( 7.409 -3.828 0.000) 8.339 2.746 ( 1.830 -0.653 0.000) 1.943 3.113 ( -4.741 3.097 0.000) 5.663 3.148 ( -4.082 -0.391 0.000) 4.101 3.414 ( 1.803 1.891 0.000) 2.613 3.417 ( 0.099 5.565 0.000) 5.566 3.448 ( -1.254 -1.801 0.000) 2.195 3.484 ( 2.933 7.507 0.000) 8.060 3.503 ( -0.133 -2.597 0.000) 2.600 3.614 ( -1.730 15.267 0.000) 15.365 3.656 ( 3.927 -9.122 0.000) 9.931 3.887 ( -2.601 -10.486 0.000) 10.804 4.171 ( -0.130 1.429 0.000) 1.434 4.189 ( 1.684 -0.029 0.000) 1.684 4.407 ( -8.500 8.498 0.000) 12.019 4.607 ( -7.403 -11.204 0.000) 13.429 5.087 ( 3.683 6.869 0.000) 7.794 5.153 ( 3.240 -0.114 0.000) 3.242 5.170 ( 2.735 5.477 0.000) 6.122 5.205 ( 5.213 2.342 0.000) 5.715 5.598 ( -2.955 8.257 0.000) 8.770 5.681 ( -1.811 -0.182 0.000) 1.820 5.690 ( -3.981 6.604 0.000) 7.711 5.777 ( -1.617 -1.598 0.000) 2.274 6.354 ( 3.362 20.954 0.000) 21.222 6.516 ( 0.069 6.111 0.000) 6.111 6.530 ( -0.591 4.856 0.000) 4.892 6.645 ( 0.900 6.085 0.000) 6.152 6.715 ( 4.130 -6.711 0.000) 7.880 6.810 ( 6.025 -7.809 0.000) 9.864 7.030 ( 0.929 16.102 0.000) 16.129 7.214 ( -3.879 -0.082 0.000) 3.880 7.269 ( -3.663 -0.789 0.000) 3.747 7.318 ( -4.891 4.823 0.000) 6.870 7.472 ( 0.306 -21.636 0.000) 21.638 7.489 ( 2.170 -11.666 0.000) 11.866 8.131 ( 1.144 6.312 0.000) 6.415 8.138 ( 0.482 5.210 0.000) 5.233 8.286 ( -4.460 11.118 0.000) 11.979 8.315 ( 6.318 5.375 0.000) 8.295 8.359 ( -6.657 4.579 0.000) 8.079 8.467 ( 3.591 -7.478 0.000) 8.296 8.595 ( 2.601 4.981 0.000) 5.619 8.701 ( -2.915 -1.703 0.000) 3.376 8.729 ( 6.206 -4.656 0.000) 7.758 8.818 ( 6.384 -6.117 0.000) 8.841 9.127 ( -5.507 7.813 0.000) 9.558 9.213 ( -3.009 0.531 0.000) 3.055 9.507 ( -0.000 8.963 0.000) 8.963 9.522 ( -2.551 13.635 0.000) 13.872 9.619 ( 0.449 5.562 0.000) 5.581 9.668 ( -2.302 -7.208 0.000) 7.567 9.949 ( -1.326 -2.499 0.000) 2.829 9.998 ( -2.911 9.833 0.000) 10.255 10.151 ( 2.231 -19.421 0.000) 19.549 10.221 ( 2.142 -3.373 0.000) 3.996 10.302 ( 4.174 -2.721 0.000) 4.982 10.431 ( 3.101 -16.108 0.000) 16.403 10.534 ( -1.233 5.689 0.000) 5.821 10.624 ( -0.526 -3.086 0.000) 3.130 11.352 ( 1.801 11.997 0.000) 12.131 11.533 ( -3.260 7.056 0.000) 7.773 11.535 ( 0.508 -5.048 0.000) 5.074 11.634 ( -1.647 -2.599 0.000) 3.077 12.082 ( 2.697 12.263 0.000) 12.556 12.322 ( 1.649 -11.515 0.000) 11.632 12.360 ( -5.136 9.161 0.000) 10.503 12.482 ( -2.134 -2.228 0.000) 3.086 13.485 ( 2.710 0.726 0.000) 2.806 13.570 ( 1.489 -7.835 0.000) 7.975 13.720 ( -3.430 -3.283 0.000) 4.748 13.725 ( -2.449 -3.848 0.000) 4.561 14.819 ( 0.515 9.624 0.000) 9.638 14.839 ( 0.076 6.128 0.000) 6.128 14.899 ( 1.707 0.675 0.000) 1.835 14.987 ( -0.443 -7.334 0.000) 7.347 15.527 ( 4.729 7.385 0.000) 8.769 15.585 ( 3.802 1.800 0.000) 4.207 15.842 ( -3.271 9.053 0.000) 9.626 15.984 ( -6.324 -5.496 0.000) 8.379 17.569 ( 0.637 22.341 0.000) 22.350 17.629 ( -0.941 19.518 0.000) 19.541 18.007 ( 0.268 -21.795 0.000) 21.796 18.009 ( 0.463 -18.712 0.000) 18.718 20.143 ( 2.052 3.330 0.000) 3.912 20.209 ( 2.123 -3.375 0.000) 3.987 20.308 ( -2.130 2.223 0.000) 3.079 20.384 ( -2.215 -5.036 0.000) 5.502 22.669 ( 0.032 -1.704 0.000) 1.704 22.681 ( -0.251 0.285 0.000) 0.380 22.703 ( 0.930 -5.232 0.000) 5.314 22.712 ( 0.698 -2.921 0.000) 3.003 ======================= Grid point 32 (21/63) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 3.559 5.795 0.000) 6.800 2.532 ( -3.698 5.805 0.000) 6.883 2.551 ( 2.815 -3.002 0.000) 4.115 2.594 ( -1.666 0.054 0.000) 1.667 2.827 ( 7.654 4.026 0.000) 8.648 2.892 ( 8.774 -2.263 0.000) 9.061 2.987 ( -8.677 4.980 0.000) 10.004 3.041 ( -7.275 -0.398 0.000) 7.286 3.417 ( -0.080 5.055 0.000) 5.055 3.421 ( -0.811 2.336 0.000) 2.473 3.467 ( 2.974 -1.909 0.000) 3.534 3.499 ( -0.572 -2.353 0.000) 2.422 3.542 ( 2.639 7.778 0.000) 8.213 3.580 ( -1.838 10.318 0.000) 10.481 3.730 ( 4.212 -10.032 0.000) 10.881 3.816 ( -4.882 -11.071 0.000) 12.100 4.188 ( 2.335 4.038 0.000) 4.664 4.265 ( 7.037 -3.344 0.000) 7.791 4.265 ( -6.231 7.811 0.000) 9.992 4.434 ( -10.476 -8.911 0.000) 13.753 5.170 ( 4.849 4.857 0.000) 6.863 5.210 ( 2.238 0.644 0.000) 2.329 5.210 ( 1.156 4.964 0.000) 5.097 5.247 ( -1.496 0.978 0.000) 1.788 5.599 ( 3.135 7.260 0.000) 7.908 5.632 ( -1.866 7.622 0.000) 7.847 5.648 ( -0.740 2.013 0.000) 2.145 5.711 ( -5.155 0.165 0.000) 5.157 6.420 ( 3.591 15.296 0.000) 15.712 6.480 ( -2.919 9.544 0.000) 9.980 6.556 ( 2.478 2.304 0.000) 3.383 6.608 ( -2.996 -0.434 0.000) 3.028 6.871 ( 10.206 0.793 0.000) 10.237 6.946 ( 8.230 -3.102 0.000) 8.796 7.020 ( -3.895 8.151 0.000) 9.034 7.093 ( -8.150 0.661 0.000) 8.177 7.213 ( -1.412 2.537 0.000) 2.904 7.239 ( -3.482 7.420 0.000) 8.197 7.487 ( 1.231 -20.440 0.000) 20.477 7.505 ( -0.331 -17.349 0.000) 17.352 8.158 ( 1.930 7.875 0.000) 8.108 8.174 ( 3.272 5.484 0.000) 6.386 8.209 ( -3.643 9.124 0.000) 9.825 8.251 ( -5.111 4.856 0.000) 7.050 8.450 ( 7.717 3.478 0.000) 8.465 8.550 ( 4.948 -5.121 0.000) 7.121 8.570 ( -4.707 2.220 0.000) 5.204 8.635 ( -4.216 -2.609 0.000) 4.958 8.864 ( 7.995 2.519 0.000) 8.382 8.969 ( 9.096 -5.167 0.000) 10.462 9.007 ( -7.407 6.425 0.000) 9.805 9.121 ( -6.952 -3.001 0.000) 7.572 9.492 ( -0.444 11.855 0.000) 11.864 9.499 ( -0.756 9.440 0.000) 9.470 9.614 ( -0.452 0.349 0.000) 0.571 9.624 ( -1.805 -3.580 0.000) 4.010 9.939 ( 0.317 4.007 0.000) 4.019 9.957 ( -1.615 8.089 0.000) 8.248 10.193 ( 2.101 -18.638 0.000) 18.756 10.223 ( -1.074 -15.064 0.000) 15.103 10.406 ( 5.733 2.579 0.000) 6.286 10.492 ( -3.546 4.978 0.000) 6.112 10.513 ( 5.283 -7.430 0.000) 9.117 10.594 ( -3.082 -4.463 0.000) 5.424 11.397 ( 3.101 10.984 0.000) 11.413 11.463 ( -3.976 9.319 0.000) 10.132 11.553 ( 1.580 -3.827 0.000) 4.140 11.592 ( -2.552 -3.112 0.000) 4.024 12.151 ( 4.784 11.638 0.000) 12.583 12.252 ( -6.091 10.895 0.000) 12.482 12.366 ( 3.075 -9.645 0.000) 10.124 12.428 ( -3.448 -6.353 0.000) 7.228 13.552 ( 4.424 -0.856 0.000) 4.506 13.610 ( 2.818 -6.823 0.000) 7.382 13.640 ( -4.936 -2.281 0.000) 5.437 13.669 ( -3.400 -5.303 0.000) 6.299 14.830 ( 0.603 8.520 0.000) 8.542 14.838 ( -0.254 7.167 0.000) 7.171 14.937 ( 2.156 -2.584 0.000) 3.365 14.970 ( -1.398 -5.702 0.000) 5.871 15.641 ( 7.070 6.455 0.000) 9.574 15.684 ( 7.021 2.262 0.000) 7.377 15.759 ( -5.652 7.205 0.000) 9.158 15.837 ( -9.061 -0.592 0.000) 9.080 17.585 ( 1.116 21.856 0.000) 21.885 17.608 ( -1.276 20.885 0.000) 20.924 18.013 ( 0.291 -21.281 0.000) 21.283 18.015 ( 0.107 -20.245 0.000) 20.245 20.193 ( 3.291 3.022 0.000) 4.468 20.256 ( -3.346 2.636 0.000) 4.260 20.263 ( 3.518 -3.782 0.000) 5.165 20.329 ( -3.564 -4.456 0.000) 5.706 22.672 ( 0.253 -0.560 0.000) 0.614 22.677 ( -0.229 0.196 0.000) 0.302 22.719 ( 0.603 -5.357 0.000) 5.391 22.722 ( 0.241 -4.484 0.000) 4.491 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.000 0.000 28.365) 28.365 0.762 ( 0.000 0.000 33.229) 33.229 1.019 ( 0.000 0.000 37.948) 37.948 1.550 ( 0.000 0.000 5.934) 5.934 1.829 ( 0.000 0.000 -14.545) 14.545 1.973 ( 0.000 0.000 -20.518) 20.518 2.257 ( 0.000 0.000 -1.830) 1.830 2.335 ( 0.000 0.000 -2.832) 2.832 2.433 ( 0.000 0.000 3.386) 3.386 2.557 ( 0.000 0.000 -0.322) 0.322 2.674 ( 0.000 0.000 2.001) 2.001 2.674 ( 0.000 0.000 7.307) 7.307 2.865 ( 0.000 0.000 -1.190) 1.190 3.036 ( 0.000 0.000 2.741) 2.741 3.086 ( 0.000 0.000 4.331) 4.331 3.127 ( 0.000 0.000 1.752) 1.752 3.224 ( 0.000 0.000 -0.369) 0.369 3.457 ( 0.000 0.000 -1.945) 1.945 3.481 ( 0.000 0.000 -19.490) 19.490 3.490 ( 0.000 0.000 9.610) 9.610 3.536 ( 0.000 0.000 -4.159) 4.159 3.754 ( 0.000 0.000 2.623) 2.623 3.807 ( 0.000 0.000 0.232) 0.232 4.007 ( 0.000 0.000 -2.146) 2.146 4.266 ( 0.000 0.000 9.497) 9.497 4.409 ( 0.000 0.000 3.295) 3.295 4.556 ( 0.000 0.000 0.861) 0.861 4.671 ( 0.000 0.000 -0.637) 0.637 5.283 ( 0.000 0.000 -7.571) 7.571 5.333 ( 0.000 0.000 -10.648) 10.648 5.654 ( 0.000 0.000 4.555) 4.555 5.847 ( 0.000 0.000 -4.188) 4.188 6.021 ( 0.000 0.000 0.241) 0.241 6.262 ( 0.000 0.000 4.713) 4.713 6.265 ( 0.000 0.000 -7.897) 7.897 6.313 ( 0.000 0.000 -0.036) 0.036 6.577 ( 0.000 0.000 2.640) 2.640 6.626 ( 0.000 0.000 -5.663) 5.663 7.169 ( 0.000 0.000 -1.540) 1.540 7.272 ( 0.000 0.000 1.350) 1.350 7.297 ( 0.000 0.000 2.796) 2.796 7.474 ( 0.000 0.000 4.585) 4.585 7.582 ( 0.000 0.000 -8.058) 8.058 7.629 ( 0.000 0.000 5.354) 5.354 7.748 ( 0.000 0.000 -5.150) 5.150 7.814 ( 0.000 0.000 -0.544) 0.544 7.838 ( 0.000 0.000 0.374) 0.374 7.949 ( 0.000 0.000 9.941) 9.941 8.033 ( 0.000 0.000 -7.681) 7.681 8.212 ( 0.000 0.000 -1.898) 1.898 9.034 ( 0.000 0.000 1.456) 1.456 9.085 ( 0.000 0.000 -0.731) 0.731 9.508 ( 0.000 0.000 0.990) 0.990 9.569 ( 0.000 0.000 1.148) 1.148 9.573 ( 0.000 0.000 -1.070) 1.070 9.601 ( 0.000 0.000 -3.174) 3.174 9.664 ( 0.000 0.000 2.453) 2.453 9.821 ( 0.000 0.000 -3.214) 3.214 9.892 ( 0.000 0.000 3.400) 3.400 10.155 ( 0.000 0.000 -1.201) 1.201 10.177 ( 0.000 0.000 -0.724) 0.724 10.215 ( 0.000 0.000 1.020) 1.020 10.471 ( 0.000 0.000 15.709) 15.709 10.875 ( 0.000 0.000 22.640) 22.640 11.463 ( 0.000 0.000 -20.824) 20.824 11.799 ( 0.000 0.000 8.756) 8.756 11.816 ( 0.000 0.000 9.252) 9.252 11.986 ( 0.000 0.000 -20.465) 20.465 12.273 ( 0.000 0.000 -8.290) 8.290 12.290 ( 0.000 0.000 -7.888) 7.888 12.301 ( 0.000 0.000 0.097) 0.097 12.367 ( 0.000 0.000 -1.426) 1.426 12.674 ( 0.000 0.000 0.471) 0.471 12.720 ( 0.000 0.000 -3.904) 3.904 13.197 ( 0.000 0.000 2.497) 2.497 13.368 ( 0.000 0.000 -4.367) 4.367 13.802 ( 0.000 0.000 3.484) 3.484 14.062 ( 0.000 0.000 -7.106) 7.106 14.332 ( 0.000 0.000 9.880) 9.880 14.688 ( 0.000 0.000 -3.777) 3.777 15.265 ( 0.000 0.000 2.931) 2.931 15.299 ( 0.000 0.000 2.916) 2.916 15.415 ( 0.000 0.000 -2.452) 2.452 15.448 ( 0.000 0.000 -2.429) 2.429 16.820 ( 0.000 0.000 31.286) 31.286 17.952 ( 0.000 0.000 -11.954) 11.954 19.004 ( 0.000 0.000 2.147) 2.147 19.244 ( 0.000 0.000 -6.579) 6.579 19.832 ( 0.000 0.000 2.904) 2.904 20.110 ( 0.000 0.000 -9.614) 9.614 20.661 ( 0.000 0.000 8.433) 8.433 20.903 ( 0.000 0.000 -2.419) 2.419 22.987 ( 0.000 0.000 5.589) 5.589 23.413 ( 0.000 0.000 -11.536) 11.536 24.236 ( 0.000 0.000 11.716) 11.716 24.708 ( 0.000 0.000 -6.958) 6.958 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 13.613 0.000 14.468) 19.866 0.948 ( 18.160 0.000 25.349) 31.183 1.407 ( 2.128 0.000 -6.087) 6.448 1.557 ( 31.430 0.000 27.664) 41.870 1.831 ( -5.439 0.000 1.855) 5.747 1.981 ( -0.992 0.000 -17.133) 17.162 2.075 ( -17.810 0.000 -0.728) 17.825 2.294 ( -12.789 0.000 4.036) 13.411 2.316 ( 3.074 0.000 -4.820) 5.717 2.472 ( -7.795 0.000 -1.309) 7.905 2.634 ( 2.339 0.000 6.500) 6.908 2.650 ( -1.566 0.000 2.728) 3.146 2.907 ( -4.532 0.000 -4.933) 6.699 3.107 ( 1.089 0.000 3.205) 3.385 3.187 ( 11.536 0.000 4.765) 12.481 3.268 ( 17.926 0.000 3.161) 18.202 3.341 ( 8.182 0.000 -0.502) 8.198 3.361 ( -7.093 0.000 8.986) 11.448 3.463 ( 0.555 0.000 -2.162) 2.232 3.532 ( -0.346 0.000 -3.942) 3.957 3.658 ( 14.593 0.000 -14.821) 20.799 3.731 ( -2.493 0.000 2.366) 3.436 3.770 ( -3.990 0.000 0.574) 4.031 3.899 ( -18.359 0.000 -6.992) 19.646 4.159 ( -6.825 0.000 3.992) 7.907 4.344 ( -1.378 0.000 11.007) 11.093 4.507 ( -0.565 0.000 -3.350) 3.397 4.715 ( -2.358 0.000 0.621) 2.438 5.093 ( -8.329 0.000 -1.306) 8.431 5.384 ( -14.616 0.000 1.175) 14.663 5.593 ( 8.230 0.000 -7.921) 11.422 5.790 ( -3.537 0.000 -6.366) 7.283 6.041 ( 4.937 0.000 4.488) 6.672 6.298 ( 2.200 0.000 5.974) 6.366 6.342 ( 3.100 0.000 -1.178) 3.316 6.522 ( 11.917 0.000 -12.426) 17.217 6.615 ( 5.098 0.000 -1.147) 5.226 6.676 ( 1.491 0.000 -4.365) 4.613 7.042 ( -2.800 0.000 5.476) 6.150 7.248 ( -4.551 0.000 2.375) 5.134 7.381 ( 6.797 0.000 2.036) 7.095 7.484 ( 1.112 0.000 4.537) 4.671 7.602 ( -2.407 0.000 4.554) 5.151 7.687 ( 1.192 0.000 -5.095) 5.233 7.770 ( 1.632 0.000 -3.762) 4.101 7.811 ( -0.255 0.000 -0.630) 0.680 7.854 ( 1.866 0.000 -0.551) 1.945 8.015 ( -1.872 0.000 -7.036) 7.281 8.081 ( 17.840 0.000 -10.305) 20.602 8.232 ( 1.150 0.000 -3.408) 3.597 9.036 ( 0.155 0.000 1.101) 1.112 9.076 ( -0.879 0.000 -0.641) 1.087 9.226 ( -24.323 0.000 4.250) 24.691 9.515 ( 0.744 0.000 1.212) 1.422 9.517 ( -11.163 0.000 -5.384) 12.393 9.574 ( -0.141 0.000 -0.301) 0.332 9.676 ( 1.515 0.000 1.313) 2.005 9.807 ( -1.448 0.000 -2.969) 3.304 9.905 ( -2.477 0.000 4.282) 4.947 10.039 ( -2.687 0.000 2.835) 3.906 10.122 ( -3.224 0.000 0.010) 3.224 10.183 ( -4.523 0.000 -0.116) 4.524 10.717 ( 18.642 0.000 15.150) 24.022 11.086 ( 12.787 0.000 6.714) 14.443 11.637 ( 14.908 0.000 -17.404) 22.916 11.801 ( 0.139 0.000 8.795) 8.796 11.814 ( -0.199 0.000 9.195) 9.197 12.011 ( 2.284 0.000 -17.461) 17.610 12.249 ( -5.412 0.000 -2.237) 5.856 12.265 ( -7.953 0.000 -3.399) 8.649 12.275 ( 0.196 0.000 -8.243) 8.245 12.289 ( -0.162 0.000 -7.919) 7.920 12.748 ( 3.546 0.000 -1.118) 3.718 12.815 ( 11.402 0.000 -1.101) 11.455 13.150 ( -5.862 0.000 5.918) 8.330 13.294 ( -5.636 0.000 -0.886) 5.705 13.824 ( 0.984 0.000 0.986) 1.394 14.022 ( -3.936 0.000 -7.320) 8.311 14.288 ( -0.514 0.000 10.334) 10.347 14.654 ( -3.972 0.000 -3.522) 5.309 15.268 ( 0.347 0.000 2.927) 2.948 15.296 ( -0.352 0.000 2.914) 2.935 15.418 ( 0.349 0.000 -2.445) 2.470 15.445 ( -0.327 0.000 -2.429) 2.451 16.865 ( 4.837 0.000 33.686) 34.031 17.621 ( -27.349 0.000 29.001) 39.862 19.060 ( 5.127 0.000 1.206) 5.267 19.234 ( -0.311 0.000 -7.306) 7.313 19.702 ( -13.446 0.000 7.324) 15.312 20.018 ( -28.933 0.000 20.187) 35.280 20.086 ( -2.915 0.000 -9.422) 9.862 20.555 ( -21.177 0.000 -2.763) 21.357 23.159 ( 15.826 0.000 6.534) 17.122 23.763 ( 5.378 0.000 -18.151) 18.931 24.479 ( 20.167 0.000 -3.300) 20.435 24.796 ( 7.079 0.000 -11.538) 13.536 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 23.647 0.000 -3.493) 23.903 1.338 ( -5.959 0.000 -13.325) 14.597 1.345 ( 23.752 0.000 14.597) 27.879 1.668 ( -8.105 0.000 3.648) 8.888 1.719 ( -16.221 0.000 2.730) 16.449 1.769 ( -21.148 0.000 4.003) 21.523 2.215 ( 4.354 0.000 -7.520) 8.690 2.299 ( 35.871 0.000 17.291) 39.821 2.335 ( -7.481 0.000 -5.315) 9.177 2.465 ( 12.105 0.000 2.184) 12.300 2.611 ( -0.015 0.000 11.559) 11.559 2.699 ( 4.434 0.000 3.231) 5.486 2.795 ( -6.059 0.000 -0.706) 6.100 3.096 ( -17.671 0.000 10.771) 20.695 3.139 ( -2.640 0.000 1.862) 3.231 3.318 ( -24.588 0.000 -5.480) 25.191 3.408 ( 10.027 0.000 0.702) 10.052 3.467 ( 4.787 0.000 0.159) 4.790 3.473 ( 0.213 0.000 -2.452) 2.462 3.527 ( -0.300 0.000 -2.618) 2.635 3.670 ( -3.821 0.000 1.745) 4.201 3.675 ( -4.927 0.000 1.624) 5.188 3.722 ( 19.675 0.000 5.745) 20.497 3.907 ( 6.377 0.000 -8.331) 10.491 4.248 ( -2.497 0.000 -0.409) 2.530 4.287 ( 11.041 0.000 -4.438) 11.899 4.441 ( -8.183 0.000 -10.293) 13.149 4.579 ( -11.083 0.000 1.620) 11.201 5.017 ( 1.464 0.000 5.447) 5.641 5.136 ( -10.530 0.000 6.427) 12.337 5.718 ( 4.326 0.000 -10.336) 11.205 5.760 ( -0.681 0.000 -8.629) 8.655 6.145 ( 5.995 0.000 4.170) 7.303 6.253 ( -5.528 0.000 4.849) 7.354 6.419 ( 4.974 0.000 1.132) 5.101 6.541 ( -8.275 0.000 -0.667) 8.301 6.722 ( 10.992 0.000 -4.816) 12.001 6.798 ( 6.200 0.000 -8.027) 10.143 7.051 ( -0.391 0.000 -0.714) 0.814 7.130 ( -7.602 0.000 -1.138) 7.687 7.513 ( 2.004 0.000 4.410) 4.844 7.531 ( 10.538 0.000 8.695) 13.662 7.555 ( -2.537 0.000 4.296) 4.989 7.670 ( -2.968 0.000 11.375) 11.756 7.793 ( 0.869 0.000 -1.914) 2.102 7.805 ( -0.492 0.000 -0.997) 1.112 7.905 ( 3.411 0.000 -3.049) 4.576 7.967 ( -3.210 0.000 -5.350) 6.240 8.262 ( 3.503 0.000 -5.862) 6.829 8.337 ( 1.912 0.000 -14.940) 15.061 8.957 ( 2.269 0.000 -7.567) 7.900 9.042 ( 0.603 0.000 0.342) 0.693 9.057 ( -1.032 0.000 -0.306) 1.076 9.223 ( -19.178 0.000 -14.873) 24.269 9.535 ( 1.400 0.000 1.419) 1.993 9.561 ( -1.248 0.000 1.012) 1.607 9.718 ( 2.824 0.000 -0.817) 2.940 9.770 ( -2.580 0.000 -2.212) 3.398 9.892 ( 2.692 0.000 7.110) 7.602 9.989 ( -6.433 0.000 3.073) 7.129 10.083 ( 2.098 0.000 1.277) 2.456 10.132 ( -2.230 0.000 -0.897) 2.404 11.031 ( 14.278 0.000 15.612) 21.156 11.190 ( -1.979 0.000 9.017) 9.232 11.804 ( 0.253 0.000 8.903) 8.907 11.809 ( -0.291 0.000 9.055) 9.060 11.884 ( 11.705 0.000 -9.531) 15.095 12.048 ( -0.743 0.000 -10.572) 10.598 12.110 ( -6.362 0.000 -6.114) 8.824 12.147 ( -4.897 0.000 -8.854) 10.118 12.279 ( 0.298 0.000 -8.129) 8.134 12.285 ( -0.277 0.000 -8.006) 8.011 12.842 ( 6.367 0.000 2.195) 6.735 12.958 ( -3.377 0.000 3.475) 4.846 13.070 ( 5.430 0.000 1.366) 5.599 13.199 ( -5.771 0.000 -1.303) 5.916 13.847 ( 2.771 0.000 -3.524) 4.483 13.931 ( -5.654 0.000 -6.947) 8.957 14.374 ( 8.478 0.000 3.739) 9.266 14.539 ( -8.405 0.000 -1.313) 8.507 15.277 ( 0.563 0.000 2.919) 2.973 15.288 ( -0.565 0.000 2.912) 2.967 15.427 ( 0.552 0.000 -2.435) 2.497 15.437 ( -0.539 0.000 -2.430) 2.489 16.993 ( 9.176 0.000 39.650) 40.698 17.215 ( -16.168 0.000 45.105) 47.915 19.171 ( 6.926 0.000 -1.869) 7.173 19.250 ( 0.087 0.000 -9.676) 9.676 19.550 ( -1.106 0.000 1.925) 2.220 19.677 ( -13.704 0.000 3.994) 14.274 20.081 ( 2.598 0.000 -7.092) 7.553 20.217 ( -13.270 0.000 -7.537) 15.261 23.459 ( 15.329 0.000 3.757) 15.783 23.690 ( -9.544 0.000 -3.545) 10.181 24.750 ( 9.995 0.000 -6.175) 11.749 24.857 ( -1.443 0.000 -9.926) 10.030 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 0.000 17.425 13.408) 21.987 0.925 ( 0.000 24.776 17.184) 30.152 1.498 ( 0.000 -2.046 -0.864) 2.221 1.740 ( 0.000 46.214 24.922) 52.506 1.915 ( 0.000 -2.470 -6.815) 7.249 1.954 ( 0.000 12.088 -11.934) 16.987 2.228 ( 0.000 1.856 -5.244) 5.563 2.507 ( 0.000 13.156 -4.496) 13.903 2.662 ( 0.000 4.117 1.614) 4.422 2.764 ( 0.000 19.035 6.911) 20.250 2.801 ( 0.000 11.530 -0.381) 11.536 2.891 ( 0.000 14.845 3.029) 15.151 2.917 ( 0.000 1.971 0.529) 2.040 3.031 ( 0.000 2.684 5.663) 6.266 3.147 ( 0.000 14.668 5.476) 15.657 3.313 ( 0.000 9.284 -3.367) 9.876 3.477 ( 0.000 11.651 -1.305) 11.724 3.553 ( 0.000 12.272 -13.144) 17.982 3.640 ( 0.000 12.801 2.485) 13.040 3.686 ( 0.000 12.792 -3.487) 13.258 3.988 ( 0.000 37.710 0.850) 37.719 4.103 ( 0.000 20.131 4.342) 20.594 4.189 ( 0.000 16.298 0.041) 16.298 4.287 ( 0.000 32.509 -1.024) 32.525 4.395 ( 0.000 31.025 -1.649) 31.069 4.500 ( 0.000 8.651 -1.123) 8.723 4.629 ( 0.000 14.440 -1.497) 14.518 4.695 ( 0.000 4.136 -0.860) 4.225 5.247 ( 0.000 -1.518 -1.634) 2.230 5.265 ( 0.000 -1.224 -6.332) 6.449 5.603 ( 0.000 -0.001 4.230) 4.230 5.822 ( 0.000 -1.623 -4.990) 5.248 5.987 ( 0.000 0.135 2.727) 2.730 6.236 ( 0.000 -4.057 -6.538) 7.694 6.253 ( 0.000 0.679 4.124) 4.179 6.279 ( 0.000 -1.607 -0.319) 1.639 6.544 ( 0.000 -1.170 -2.179) 2.474 6.574 ( 0.000 -3.717 -6.741) 7.697 6.856 ( 0.000 -2.392 4.853) 5.410 7.144 ( 0.000 -8.614 -2.179) 8.885 7.218 ( 0.000 -3.395 5.421) 6.396 7.553 ( 0.000 -1.602 -5.298) 5.535 7.777 ( 0.000 -0.812 10.428) 10.460 7.801 ( 0.000 24.358 6.049) 25.097 7.935 ( 0.000 8.783 0.214) 8.785 7.958 ( 0.000 10.416 -2.487) 10.709 8.181 ( 0.000 0.995 -0.294) 1.037 8.217 ( 0.000 25.220 -2.592) 25.353 8.238 ( 0.000 18.902 -2.811) 19.110 8.539 ( 0.000 19.530 -16.648) 25.663 8.912 ( 0.000 -8.823 3.729) 9.578 9.045 ( 0.000 -1.458 -2.942) 3.284 9.475 ( 0.000 -4.768 3.187) 5.736 9.476 ( 0.000 -3.491 3.206) 4.739 9.591 ( 0.000 0.915 10.219) 10.260 9.706 ( 0.000 6.848 -2.583) 7.319 9.812 ( 0.000 4.377 -8.221) 9.313 10.041 ( 0.000 9.351 2.903) 9.791 10.148 ( 0.000 4.003 -4.688) 6.164 10.151 ( 0.000 -2.874 -0.637) 2.944 10.192 ( 0.000 2.178 -1.282) 2.527 10.600 ( 0.000 11.595 14.271) 18.388 10.694 ( 0.000 42.464 -42.310) 59.945 10.837 ( 0.000 -3.125 22.237) 22.455 11.596 ( 0.000 -16.646 6.557) 17.891 11.620 ( 0.000 -16.283 6.961) 17.709 11.682 ( 0.000 8.924 -22.784) 24.469 11.790 ( 0.000 -18.872 -14.932) 24.065 11.914 ( 0.000 -23.683 -7.902) 24.966 12.240 ( 0.000 5.213 -25.954) 26.472 12.303 ( 0.000 0.048 0.213) 0.219 12.390 ( 0.000 4.767 -9.264) 10.418 12.795 ( 0.000 9.948 0.877) 9.986 12.913 ( 0.000 12.703 -6.281) 14.171 13.427 ( 0.000 19.686 5.214) 20.365 13.882 ( 0.000 7.479 3.092) 8.093 13.895 ( 0.000 37.688 -22.519) 43.903 14.112 ( 0.000 4.471 -7.668) 8.876 14.403 ( 0.000 9.031 2.080) 9.268 14.661 ( 0.000 -2.613 -3.110) 4.062 15.222 ( 0.000 -4.567 1.819) 4.916 15.275 ( 0.000 -1.034 0.200) 1.053 15.367 ( 0.000 -4.419 -2.551) 5.103 15.406 ( 0.000 -4.105 -2.393) 4.751 16.838 ( 0.000 1.645 31.742) 31.785 18.023 ( 0.000 6.601 -13.100) 14.670 19.071 ( 0.000 3.218 4.098) 5.210 19.281 ( 0.000 2.927 -5.831) 6.524 19.839 ( 0.000 -4.779 10.948) 11.945 20.111 ( 0.000 0.335 -7.428) 7.436 20.221 ( 0.000 -38.819 33.616) 51.351 20.574 ( 0.000 -8.012 4.215) 9.053 22.948 ( 0.000 -2.761 4.375) 5.173 23.338 ( 0.000 -7.159 -10.800) 12.957 24.118 ( 0.000 -11.432 10.589) 15.583 24.466 ( 0.000 -18.185 -0.432) 18.190 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 15.753 20.044 5.435) 26.066 1.082 ( 15.659 15.978 16.926) 28.053 1.444 ( -3.266 2.963 -6.563) 7.907 1.828 ( -4.371 3.136 0.379) 5.393 2.007 ( 20.604 33.261 19.390) 43.667 2.059 ( 2.471 6.455 -11.980) 13.831 2.102 ( -6.554 7.261 -3.456) 10.374 2.399 ( -15.424 8.937 2.458) 17.995 2.546 ( -6.827 15.625 -1.442) 17.113 2.634 ( -1.906 3.815 4.526) 6.218 2.719 ( -5.114 15.077 1.594) 16.001 2.819 ( -2.960 8.196 5.394) 10.249 2.993 ( -0.378 10.100 -2.562) 10.427 3.211 ( 7.596 7.907 2.944) 11.353 3.306 ( 12.519 10.544 2.375) 16.539 3.375 ( 11.203 6.913 3.632) 13.656 3.486 ( -5.114 13.590 -3.171) 14.862 3.522 ( 3.188 9.347 -0.783) 9.906 3.677 ( 0.739 11.588 -1.101) 11.664 3.743 ( 5.267 9.316 -6.973) 12.773 3.919 ( -4.157 31.182 -0.018) 31.458 4.134 ( -7.702 20.053 -5.780) 22.245 4.172 ( 0.227 34.074 1.212) 34.097 4.236 ( -1.146 27.455 -2.584) 27.600 4.254 ( -14.681 29.276 0.676) 32.758 4.419 ( -2.672 13.449 6.108) 15.010 4.566 ( 4.406 9.479 -0.183) 10.454 4.796 ( -0.114 11.295 -0.576) 11.310 5.119 ( -5.963 4.374 -2.832) 7.919 5.326 ( -5.681 -2.157 -1.414) 6.240 5.579 ( 3.034 -0.435 -3.096) 4.357 5.770 ( -3.908 -1.473 -6.088) 7.382 6.039 ( 4.885 0.260 3.558) 6.049 6.269 ( 1.182 -3.093 1.257) 3.542 6.307 ( 4.270 -2.467 1.511) 5.158 6.410 ( 9.823 -6.962 -4.798) 12.960 6.567 ( 3.408 -1.105 -3.389) 4.932 6.624 ( 5.601 -1.705 -5.413) 7.973 6.923 ( 5.937 -4.092 2.679) 7.692 7.122 ( -0.230 -7.846 -0.670) 7.878 7.194 ( -3.258 -5.316 5.341) 8.210 7.469 ( -9.213 -2.706 -5.463) 11.048 7.787 ( 3.241 7.444 8.097) 11.467 7.845 ( 2.821 12.159 7.070) 14.345 7.931 ( -0.524 9.675 1.317) 9.778 7.969 ( 2.409 14.419 -0.492) 14.627 8.148 ( -2.777 7.666 -0.469) 8.167 8.207 ( -2.718 22.711 -3.871) 23.199 8.290 ( 5.784 16.008 -3.474) 17.372 8.637 ( 11.004 19.868 -17.395) 28.608 8.903 ( -1.333 -8.181 3.738) 9.093 9.035 ( -0.899 -1.907 -2.721) 3.442 9.409 ( -10.238 -3.927 3.539) 11.522 9.471 ( -5.638 2.763 2.990) 6.954 9.513 ( -4.306 4.582 -1.722) 6.520 9.689 ( -1.394 -2.477 1.039) 3.026 9.776 ( -3.750 11.800 -3.858) 12.968 9.945 ( -12.395 15.954 -4.154) 20.626 10.042 ( -2.604 1.963 0.910) 3.386 10.059 ( -9.384 -0.115 0.918) 9.430 10.180 ( 0.528 7.648 -1.941) 7.908 10.326 ( -10.973 19.982 -4.970) 23.332 10.888 ( 14.032 12.747 12.613) 22.770 11.069 ( 12.325 0.501 -3.733) 12.888 11.564 ( -2.181 -17.607 4.181) 18.228 11.593 ( -0.464 -16.796 6.076) 17.867 11.801 ( 6.520 2.003 -20.693) 21.788 11.832 ( 5.450 -21.475 -4.708) 22.650 11.928 ( 1.534 -20.782 -9.535) 22.916 12.203 ( -3.468 1.346 -14.538) 15.007 12.269 ( -4.566 1.148 -2.318) 5.248 12.300 ( -6.865 8.115 -14.428) 17.921 12.925 ( 8.741 10.483 -1.727) 13.758 12.975 ( 9.207 13.606 -4.596) 17.059 13.398 ( -3.649 19.721 5.899) 20.905 13.760 ( -12.584 36.698 -12.836) 40.864 13.895 ( -2.429 8.038 -1.701) 8.568 14.069 ( -3.488 4.349 -6.594) 8.635 14.330 ( -1.597 4.426 8.967) 10.127 14.636 ( -3.239 -1.707 -2.962) 4.710 15.224 ( 0.220 -4.441 2.236) 4.977 15.261 ( -1.176 -2.656 1.867) 3.453 15.373 ( 0.651 -4.020 -2.610) 4.837 15.405 ( -0.152 -3.845 -2.432) 4.552 16.881 ( 4.709 1.485 34.032) 34.388 17.679 ( -28.936 5.021 28.675) 41.046 19.094 ( 2.150 -0.524 4.634) 5.135 19.254 ( -0.466 1.966 -7.048) 7.332 19.676 ( -10.333 -3.201 11.254) 15.610 19.946 ( -14.117 -2.209 10.458) 17.707 20.087 ( -1.700 0.733 -6.016) 6.294 20.451 ( -15.174 -8.256 -3.347) 17.596 23.092 ( 14.567 -5.841 6.238) 16.889 23.633 ( 9.333 -11.894 -16.743) 22.558 24.273 ( 17.338 -19.099 3.382) 26.016 24.531 ( 5.791 -19.675 -2.245) 20.632 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 18.251 15.565 -3.009) 24.175 1.404 ( -2.570 7.387 -9.505) 12.309 1.435 ( 20.067 8.368 11.584) 24.635 1.721 ( -6.962 5.303 0.112) 8.753 1.779 ( -12.061 7.591 2.328) 14.440 1.970 ( -21.410 12.000 7.124) 25.557 2.270 ( 8.286 3.650 -10.108) 13.570 2.367 ( 3.356 11.336 -0.534) 11.835 2.572 ( 1.693 10.423 4.590) 11.514 2.646 ( -4.352 9.863 5.903) 12.291 2.698 ( 17.080 17.473 13.418) 27.876 2.822 ( 2.912 8.350 2.146) 9.100 2.954 ( 3.176 14.920 -4.350) 15.862 3.272 ( 0.083 9.861 6.434) 11.775 3.347 ( -10.638 16.873 5.238) 20.623 3.404 ( -15.014 10.583 -2.790) 18.579 3.550 ( 6.781 9.253 -0.797) 11.499 3.582 ( 4.387 5.838 -0.772) 7.343 3.714 ( 5.750 5.987 4.126) 9.270 3.767 ( -2.001 9.712 -2.798) 10.303 3.851 ( -2.028 31.491 0.126) 31.557 3.880 ( -3.543 24.671 -2.156) 25.017 4.121 ( -0.715 29.903 -0.348) 29.914 4.205 ( -4.406 23.746 1.907) 24.226 4.358 ( 8.478 19.510 -6.399) 22.214 4.437 ( 9.130 23.962 -3.510) 25.882 4.599 ( -4.226 19.852 -4.986) 20.901 4.694 ( -8.718 14.622 2.091) 17.152 5.053 ( 0.661 4.921 1.063) 5.077 5.155 ( -9.161 3.080 2.898) 10.090 5.669 ( 4.313 -4.160 -7.712) 9.766 5.720 ( -1.813 -3.371 -7.081) 8.050 6.137 ( 5.556 -0.565 2.921) 6.302 6.234 ( -4.560 -1.541 2.211) 5.297 6.384 ( 4.044 -3.185 0.933) 5.232 6.455 ( -3.042 -6.300 -0.116) 6.996 6.721 ( 10.300 -0.625 -6.030) 11.952 6.769 ( 7.218 -0.232 -4.461) 8.488 6.994 ( 0.875 -4.459 -1.480) 4.779 7.068 ( -6.451 -4.417 -1.319) 7.929 7.199 ( 3.985 -12.920 4.509) 14.252 7.291 ( -7.717 -9.138 0.165) 11.962 7.841 ( 2.278 12.980 1.641) 13.281 7.876 ( -1.056 9.222 1.660) 9.430 7.949 ( 4.192 7.362 7.663) 11.423 8.030 ( -1.365 11.170 7.252) 13.388 8.105 ( 2.126 13.458 -5.110) 14.552 8.163 ( -2.277 22.304 -5.547) 23.096 8.443 ( 13.195 18.810 -0.536) 22.983 8.759 ( -14.277 14.014 2.259) 20.132 8.943 ( 15.901 8.405 -14.073) 22.837 9.026 ( 0.924 -0.309 -3.602) 3.731 9.089 ( -11.400 4.617 -0.576) 12.314 9.278 ( -14.921 5.981 -9.850) 18.853 9.545 ( 3.781 1.246 0.807) 4.062 9.639 ( -5.664 6.656 -2.063) 8.979 9.733 ( -0.926 2.522 1.350) 3.007 9.754 ( -3.996 3.430 2.129) 5.681 9.972 ( -0.633 3.398 1.642) 3.826 10.005 ( -3.153 0.878 0.032) 3.273 10.182 ( 1.829 10.210 1.210) 10.443 10.232 ( -2.826 12.282 -2.774) 12.904 11.114 ( 9.369 3.524 11.983) 15.613 11.195 ( 1.103 -0.637 2.902) 3.169 11.552 ( 0.819 -19.571 5.806) 20.430 11.578 ( -1.370 -17.979 6.889) 19.302 11.891 ( 4.508 -18.002 -10.703) 21.423 11.936 ( 1.303 -21.822 -4.826) 22.387 11.984 ( 6.609 -2.771 -12.117) 14.078 12.126 ( -6.823 -1.736 -7.510) 10.294 12.159 ( -2.979 6.998 -9.515) 12.181 12.191 ( -4.947 6.253 -8.199) 11.437 13.063 ( 8.278 14.394 -1.163) 16.645 13.183 ( 3.885 15.915 -2.329) 16.547 13.307 ( 0.350 19.021 4.133) 19.468 13.494 ( -13.149 25.128 -3.006) 28.519 13.895 ( 2.740 5.522 -3.242) 6.964 13.981 ( -5.783 5.119 -6.243) 9.932 14.402 ( 7.355 2.758 3.649) 8.661 14.541 ( -6.954 0.236 -0.640) 6.987 15.230 ( 0.438 -4.437 2.625) 5.174 15.242 ( -0.846 -4.113 2.672) 4.977 15.387 ( 0.776 -3.515 -2.516) 4.392 15.399 ( -0.484 -3.491 -2.451) 4.293 17.009 ( 9.391 1.415 39.890) 41.005 17.243 ( -17.388 2.436 45.446) 48.719 19.178 ( 7.237 -1.453 -2.755) 7.878 19.272 ( -0.537 1.427 -9.340) 9.463 19.587 ( -0.380 4.517 0.287) 4.542 19.694 ( -12.210 2.452 1.365) 12.528 20.082 ( 1.934 0.651 -5.043) 5.441 20.189 ( -10.539 -1.977 -6.274) 12.424 23.378 ( 14.851 -7.660 3.637) 17.101 23.599 ( -8.704 -8.738 -3.631) 12.857 24.543 ( 9.261 -20.400 -4.890) 22.931 24.611 ( 1.297 -21.078 -4.798) 21.656 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 29.555 -5.160) 30.002 1.420 ( 0.000 19.506 -2.735) 19.697 1.614 ( 0.000 18.592 6.987) 19.861 1.927 ( 0.000 4.074 3.308) 5.248 2.230 ( 0.000 13.037 -9.880) 16.358 2.323 ( 0.000 11.013 -11.697) 16.065 2.657 ( 0.000 38.851 14.829) 41.585 2.759 ( 0.000 11.579 -0.332) 11.584 2.809 ( 0.000 11.154 5.559) 12.463 2.934 ( 0.000 4.463 -1.782) 4.805 2.961 ( 0.000 4.598 1.303) 4.779 2.971 ( 0.000 5.172 12.415) 13.449 3.129 ( 0.000 10.170 1.253) 10.247 3.234 ( 0.000 15.157 1.564) 15.237 3.370 ( 0.000 7.399 5.220) 9.055 3.611 ( 0.000 13.252 -10.693) 17.028 3.674 ( 0.000 10.038 -2.504) 10.346 3.843 ( 0.000 14.039 -8.528) 16.426 3.906 ( 0.000 12.226 7.305) 14.242 3.978 ( 0.000 20.463 -0.758) 20.477 4.250 ( 0.000 3.339 1.533) 3.674 4.347 ( 0.000 9.331 10.202) 13.825 4.581 ( 0.000 7.156 6.124) 9.418 4.630 ( 0.000 7.699 -4.921) 9.137 4.942 ( 0.000 23.455 -4.893) 23.960 4.992 ( 0.000 17.803 -6.210) 18.855 5.250 ( 0.000 32.470 0.148) 32.471 5.283 ( 0.000 41.985 -2.175) 42.041 5.353 ( 0.000 16.666 0.966) 16.694 5.465 ( 0.000 25.116 -3.338) 25.337 5.663 ( 0.000 7.668 1.308) 7.778 5.887 ( 0.000 13.678 -8.973) 16.358 6.059 ( 0.000 9.763 0.885) 9.803 6.144 ( 0.000 -0.235 -0.160) 0.285 6.287 ( 0.000 3.186 0.919) 3.316 6.300 ( 0.000 5.128 -4.224) 6.643 6.524 ( 0.000 -0.618 -5.885) 5.918 6.553 ( 0.000 2.385 -6.711) 7.122 6.928 ( 0.000 8.585 1.304) 8.684 7.021 ( 0.000 -3.101 0.598) 3.158 7.182 ( 0.000 0.491 8.300) 8.315 7.529 ( 0.000 -0.770 -3.608) 3.690 7.742 ( 0.000 -1.728 11.101) 11.235 7.944 ( 0.000 -4.399 0.658) 4.448 8.122 ( 0.000 10.043 -0.221) 10.045 8.187 ( 0.000 11.913 -5.678) 13.198 8.399 ( 0.000 7.781 1.417) 7.909 8.456 ( 0.000 3.121 -4.714) 5.654 8.745 ( 0.000 11.077 4.360) 11.904 8.913 ( 0.000 24.163 -1.150) 24.190 8.925 ( 0.000 20.358 6.445) 21.354 9.044 ( 0.000 2.574 -6.148) 6.665 9.388 ( 0.000 -2.426 4.849) 5.421 9.406 ( 0.000 -1.446 8.008) 8.138 9.637 ( 0.000 2.389 6.069) 6.522 9.858 ( 0.000 4.039 -7.868) 8.844 9.893 ( 0.000 0.466 -1.518) 1.588 10.085 ( 0.000 -0.397 -0.836) 0.925 10.116 ( 0.000 1.251 2.373) 2.682 10.263 ( 0.000 13.780 4.239) 14.418 10.313 ( 0.000 5.758 -3.481) 6.728 10.623 ( 0.000 -9.224 17.515) 19.795 10.994 ( 0.000 17.021 13.347) 21.630 11.003 ( 0.000 -9.136 -19.252) 21.310 11.230 ( 0.000 -26.651 -3.491) 26.879 11.284 ( 0.000 -12.437 4.984) 13.399 11.303 ( 0.000 -13.129 6.474) 14.639 11.455 ( 0.000 -8.155 -7.951) 11.389 11.833 ( 0.000 -3.369 -22.102) 22.357 12.285 ( 0.000 0.504 -1.659) 1.734 12.299 ( 0.000 -0.441 0.860) 0.967 12.615 ( 0.000 9.678 -33.058) 34.446 13.016 ( 0.000 12.158 -1.333) 12.230 13.149 ( 0.000 11.497 -13.874) 18.018 13.843 ( 0.000 20.131 8.087) 21.694 14.058 ( 0.000 9.350 1.158) 9.422 14.190 ( 0.000 4.571 -5.077) 6.831 14.324 ( 0.000 5.844 -1.693) 6.084 14.582 ( 0.000 -5.747 -1.111) 5.854 14.720 ( 0.000 12.177 -27.564) 30.134 15.142 ( 0.000 0.074 4.595) 4.596 15.280 ( 0.000 -2.870 -1.849) 3.414 15.307 ( 0.000 -5.005 -1.692) 5.283 15.332 ( 0.000 9.434 -16.776) 19.247 16.877 ( 0.000 2.257 31.721) 31.801 18.173 ( 0.000 7.349 -16.598) 18.152 18.799 ( 0.000 -31.242 43.642) 53.672 19.303 ( 0.000 -2.359 -3.388) 4.128 19.628 ( 0.000 3.066 14.285) 14.610 20.118 ( 0.000 8.984 2.954) 9.457 20.131 ( 0.000 1.467 -3.772) 4.047 20.404 ( 0.000 -7.075 -3.783) 8.023 22.890 ( 0.000 -3.183 2.325) 3.942 23.160 ( 0.000 -9.974 -8.279) 12.963 23.814 ( 0.000 -18.451 8.138) 20.166 24.066 ( 0.000 -22.155 -1.200) 22.187 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 11.927 25.847 -3.609) 28.694 1.476 ( 5.651 18.207 -0.962) 19.088 1.616 ( 0.818 17.880 5.528) 18.733 1.900 ( -2.580 5.671 2.960) 6.898 2.189 ( -7.941 7.761 -8.640) 14.069 2.309 ( 1.575 14.591 -10.411) 17.994 2.566 ( -18.775 7.857 5.332) 21.040 2.694 ( -3.879 16.147 4.490) 17.203 2.815 ( -4.183 13.228 1.531) 13.958 2.818 ( 4.103 17.765 5.619) 19.079 2.938 ( 4.071 14.096 6.006) 15.854 2.988 ( -2.733 10.188 2.518) 10.844 3.175 ( 10.496 7.638 3.053) 13.335 3.400 ( 2.398 11.297 -1.250) 11.616 3.487 ( 6.108 8.446 1.541) 10.537 3.582 ( 10.161 10.446 -1.653) 14.666 3.740 ( 1.258 12.672 -2.980) 13.078 3.778 ( -5.171 13.007 1.183) 14.047 3.908 ( -0.879 10.923 2.676) 11.280 3.998 ( 1.567 18.402 -0.886) 18.490 4.258 ( -0.287 5.140 1.772) 5.445 4.338 ( 0.965 12.177 3.812) 12.796 4.526 ( -5.703 8.369 1.107) 10.188 4.636 ( -5.006 10.763 -3.664) 12.423 4.853 ( -1.688 22.123 1.584) 22.244 5.019 ( 2.358 19.124 -2.688) 19.456 5.235 ( 0.561 39.206 -0.399) 39.212 5.318 ( 1.042 33.250 0.609) 33.272 5.387 ( 4.299 21.896 -4.599) 22.783 5.467 ( -2.325 22.347 -4.953) 23.007 5.633 ( -2.512 11.234 0.402) 11.518 5.834 ( -5.642 15.424 -7.263) 17.958 6.087 ( 2.711 7.216 0.415) 7.719 6.171 ( 2.652 -3.014 -1.120) 4.168 6.310 ( 1.735 2.241 1.272) 3.106 6.339 ( 3.079 2.138 -2.766) 4.658 6.561 ( 5.003 0.773 -5.144) 7.217 6.638 ( 8.605 2.959 -5.651) 10.711 6.937 ( 1.003 5.456 0.475) 5.568 7.026 ( 0.511 -1.420 -0.609) 1.627 7.130 ( -5.148 -0.207 7.973) 9.493 7.434 ( -11.046 -0.769 -4.935) 12.122 7.748 ( 2.811 -2.957 10.860) 11.601 7.942 ( -1.028 -4.032 1.885) 4.568 8.140 ( 2.097 10.874 0.866) 11.108 8.237 ( 5.614 10.535 -4.599) 12.793 8.401 ( -1.470 10.954 1.137) 11.110 8.481 ( 2.207 4.866 -4.376) 6.906 8.770 ( 2.646 12.555 4.176) 13.494 8.891 ( -0.246 14.777 3.317) 15.147 8.966 ( 1.543 15.655 0.359) 15.735 9.038 ( 0.390 7.265 -6.674) 9.873 9.353 ( -3.497 0.762 4.203) 5.520 9.449 ( 5.022 -0.039 6.775) 8.434 9.632 ( -5.430 -4.659 -3.528) 7.977 9.687 ( -6.185 11.062 4.354) 13.400 9.937 ( -3.022 -8.132 -3.474) 9.345 10.048 ( -6.090 6.608 0.467) 8.998 10.069 ( -2.539 8.454 -0.798) 8.863 10.183 ( -5.268 8.658 -0.245) 10.138 10.353 ( 2.477 9.330 4.518) 10.658 10.589 ( -1.979 1.026 9.247) 9.512 10.967 ( -0.356 2.611 1.644) 3.106 11.054 ( 0.617 -12.946 -2.932) 13.289 11.157 ( -2.845 -21.069 3.838) 21.604 11.266 ( -2.275 -17.798 1.324) 17.992 11.403 ( 8.645 -10.788 -1.622) 13.920 11.556 ( 7.695 -3.895 -3.056) 9.150 11.863 ( 3.382 -3.176 -19.889) 20.423 12.183 ( -7.069 -2.034 -1.201) 7.453 12.315 ( -0.376 3.888 -1.583) 4.214 12.569 ( -4.628 11.125 -30.976) 33.237 13.129 ( 9.342 10.298 -4.492) 14.611 13.243 ( 11.292 13.407 -11.051) 20.722 13.803 ( -5.064 19.019 6.881) 20.850 14.045 ( -1.454 9.109 -0.514) 9.238 14.160 ( -3.364 5.591 -7.104) 9.646 14.347 ( 0.873 8.016 -6.421) 10.307 14.486 ( -12.678 7.751 -6.441) 16.195 14.618 ( -6.369 3.878 -12.259) 14.349 15.151 ( 0.518 0.453 4.072) 4.130 15.242 ( -4.500 1.778 -3.475) 5.957 15.307 ( 0.328 -0.494 -3.498) 3.548 15.315 ( 0.238 -3.712 -2.599) 4.537 16.916 ( 4.250 1.911 33.760) 34.080 17.761 ( -31.988 1.585 31.950) 45.239 18.894 ( 7.542 -16.531 6.169) 19.189 19.287 ( -0.945 -1.928 -5.228) 5.652 19.689 ( 4.034 5.958 5.319) 8.948 19.997 ( -10.670 4.798 -0.395) 11.706 20.141 ( -0.617 5.538 -1.526) 5.777 20.318 ( -7.850 -3.440 -4.570) 9.713 22.967 ( 9.798 -6.256 4.678) 12.531 23.360 ( 10.794 -14.487 -12.151) 21.772 23.851 ( 6.606 -22.034 8.610) 24.561 24.106 ( 3.247 -23.382 -2.081) 23.698 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 7.897 18.982 -1.242) 20.597 1.631 ( 5.232 16.223 -5.086) 17.788 1.664 ( 12.126 14.207 6.594) 19.808 1.867 ( -0.289 9.434 1.381) 9.539 1.983 ( -10.636 12.267 -2.615) 16.445 2.140 ( -21.091 6.964 7.897) 23.572 2.422 ( 6.864 11.512 -7.441) 15.330 2.572 ( -8.392 8.360 -2.859) 12.186 2.809 ( 2.544 12.493 2.784) 13.050 2.863 ( -1.190 11.571 1.279) 11.703 2.953 ( 2.661 9.112 -1.640) 9.633 3.036 ( -2.038 12.168 -1.412) 12.418 3.375 ( 13.561 23.131 5.048) 27.284 3.441 ( 5.878 7.885 8.334) 12.891 3.628 ( 1.990 6.609 0.463) 6.917 3.641 ( -5.487 12.112 1.445) 13.375 3.723 ( -1.416 12.035 1.728) 12.241 3.770 ( 2.759 12.540 0.077) 12.840 3.892 ( 1.874 10.277 3.686) 11.078 3.980 ( -4.211 15.367 4.759) 16.629 4.261 ( 2.057 14.085 -0.712) 14.252 4.357 ( -7.315 16.445 -0.275) 18.001 4.399 ( 2.105 11.682 -2.188) 12.070 4.491 ( -6.688 13.167 -4.271) 15.374 4.951 ( 8.487 13.747 3.671) 16.567 5.057 ( -0.718 13.269 3.525) 13.748 5.263 ( 2.905 40.194 -3.024) 40.412 5.336 ( -1.409 44.953 -1.631) 45.005 5.398 ( -2.295 21.498 -6.706) 22.636 5.412 ( -1.486 28.625 -4.766) 29.057 5.627 ( 2.745 8.950 -2.223) 9.622 5.714 ( -6.327 12.776 -4.207) 14.865 6.142 ( 3.182 2.835 -0.448) 4.285 6.191 ( -1.398 -1.733 -1.877) 2.912 6.341 ( 2.032 1.152 1.512) 2.783 6.368 ( -0.272 0.427 -0.377) 0.631 6.714 ( 10.643 0.963 -2.165) 10.903 6.826 ( 7.603 5.277 -3.438) 9.873 6.930 ( -1.450 -1.578 -0.515) 2.204 7.014 ( -3.241 0.478 -0.721) 3.354 7.064 ( 1.181 -0.946 1.950) 2.469 7.193 ( -13.027 -1.643 -2.538) 13.373 7.821 ( 4.304 -4.417 5.826) 8.484 7.895 ( -3.711 -4.857 3.028) 6.822 8.208 ( 5.513 13.484 2.574) 14.793 8.323 ( -5.817 15.239 1.463) 16.377 8.386 ( 8.383 7.758 -2.416) 11.675 8.491 ( -2.127 6.191 -3.839) 7.589 8.837 ( 4.527 16.364 4.774) 17.637 8.893 ( -0.678 12.850 3.524) 13.342 8.978 ( 1.390 2.393 -0.683) 2.850 9.040 ( -2.856 1.151 -0.275) 3.092 9.302 ( 0.697 9.134 -5.376) 10.622 9.418 ( -10.833 3.688 -9.346) 14.775 9.601 ( 10.839 2.529 1.939) 11.298 9.727 ( 5.179 7.284 7.799) 11.862 9.798 ( -8.708 -3.381 2.340) 9.630 9.908 ( -10.357 10.353 3.076) 14.964 10.042 ( -0.624 4.958 -3.170) 5.918 10.066 ( -4.260 7.026 -2.176) 8.500 10.443 ( 6.273 13.382 5.284) 15.695 10.543 ( -3.984 12.938 4.246) 14.187 10.975 ( 1.244 -11.499 0.947) 11.605 11.014 ( -2.951 -18.277 -0.832) 18.532 11.167 ( 2.372 -19.816 3.970) 20.349 11.218 ( -2.893 -19.975 1.654) 20.251 11.560 ( 7.455 -7.146 -2.006) 10.520 11.638 ( -0.118 -4.384 -1.239) 4.557 11.956 ( 6.142 -3.610 -12.992) 14.817 12.063 ( -5.865 -4.010 -5.429) 8.942 12.335 ( 3.942 11.053 -9.204) 14.914 12.454 ( -7.585 13.374 -21.941) 26.792 13.324 ( 12.774 12.453 -5.199) 18.582 13.499 ( 7.845 15.830 -7.572) 19.222 13.663 ( -3.038 14.948 -1.527) 15.330 13.921 ( -16.467 13.746 -14.055) 25.645 14.104 ( -0.381 12.402 -2.731) 12.705 14.161 ( -8.065 15.385 -1.447) 17.431 14.456 ( 4.468 1.157 3.283) 5.664 14.536 ( -4.021 -1.695 -0.072) 4.364 15.155 ( 0.263 -0.581 2.945) 3.013 15.176 ( -2.273 -0.499 1.503) 2.770 15.320 ( 0.706 -2.026 -1.577) 2.663 15.324 ( 0.332 -3.114 -1.380) 3.422 17.037 ( 9.393 1.279 39.313) 40.440 17.285 ( -18.921 1.157 45.231) 49.042 19.060 ( 10.568 -9.950 -9.506) 17.351 19.234 ( -6.482 -6.946 -9.605) 13.510 19.738 ( 1.635 9.896 -0.770) 10.059 19.804 ( -7.562 8.601 -1.972) 11.621 20.133 ( 0.665 4.862 -1.556) 5.148 20.187 ( -5.377 2.571 -2.476) 6.454 23.189 ( 12.510 -10.601 3.179) 16.703 23.375 ( -6.742 -13.069 -3.285) 15.068 24.040 ( 9.837 -27.335 0.136) 29.051 24.137 ( -0.997 -26.010 -2.589) 26.158 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.000 16.246 -5.626) 17.192 1.778 ( 0.000 25.435 -8.727) 26.891 2.034 ( 0.000 11.165 6.175) 12.759 2.159 ( 0.000 25.947 8.414) 27.277 2.386 ( 0.000 5.369 -7.389) 9.134 2.642 ( 0.000 17.760 -6.836) 19.031 2.918 ( 0.000 0.621 3.014) 3.078 2.940 ( 0.000 6.026 2.404) 6.488 2.993 ( 0.000 8.578 8.284) 11.925 3.041 ( 0.000 6.944 -2.283) 7.310 3.066 ( 0.000 6.368 -1.229) 6.485 3.262 ( 0.000 3.106 1.539) 3.467 3.450 ( 0.000 7.205 -1.787) 7.423 3.490 ( 0.000 4.372 2.464) 5.018 3.540 ( 0.000 34.011 11.351) 35.855 3.768 ( 0.000 5.367 -7.915) 9.563 3.907 ( 0.000 12.783 -0.926) 12.816 4.037 ( 0.000 5.711 -2.723) 6.327 4.075 ( 0.000 5.253 12.987) 14.009 4.362 ( 0.000 8.571 -1.746) 8.747 4.464 ( 0.000 24.252 4.614) 24.687 4.553 ( 0.000 12.401 0.497) 12.411 4.648 ( 0.000 3.444 7.458) 8.215 4.821 ( 0.000 9.865 -10.120) 14.133 5.084 ( 0.000 2.723 -2.303) 3.566 5.294 ( 0.000 14.763 -8.562) 17.066 5.425 ( 0.000 -2.149 4.388) 4.886 5.619 ( 0.000 1.965 -2.162) 2.922 5.696 ( 0.000 6.045 -1.391) 6.203 5.833 ( 0.000 9.452 -5.369) 10.871 6.045 ( 0.000 3.949 1.739) 4.315 6.068 ( 0.000 14.314 -0.816) 14.338 6.483 ( 0.000 6.831 -4.645) 8.261 6.532 ( 0.000 29.389 -0.256) 29.390 6.557 ( 0.000 32.222 0.444) 32.225 6.615 ( 0.000 23.444 -0.391) 23.447 6.650 ( 0.000 8.622 -6.163) 10.598 6.672 ( 0.000 26.703 -5.078) 27.181 7.070 ( 0.000 10.991 6.705) 12.875 7.176 ( 0.000 15.141 1.971) 15.269 7.261 ( 0.000 8.690 5.527) 10.298 7.541 ( 0.000 2.938 -4.296) 5.204 7.751 ( 0.000 4.413 8.263) 9.368 7.881 ( 0.000 0.408 0.135) 0.429 8.321 ( 0.000 10.568 -0.239) 10.570 8.379 ( 0.000 6.369 -6.608) 9.177 8.442 ( 0.000 -0.013 -0.596) 0.596 8.473 ( 0.000 3.302 -2.520) 4.154 8.862 ( 0.000 2.974 -0.674) 3.049 9.020 ( 0.000 -1.584 -2.696) 3.127 9.146 ( 0.000 -8.326 -0.309) 8.332 9.205 ( 0.000 4.032 18.329) 18.767 9.499 ( 0.000 -13.801 -4.195) 14.425 9.509 ( 0.000 8.251 3.266) 8.874 9.513 ( 0.000 8.421 -1.320) 8.524 9.777 ( 0.000 -6.553 -3.786) 7.568 9.953 ( 0.000 6.282 5.827) 8.568 10.115 ( 0.000 -1.423 1.523) 2.084 10.244 ( 0.000 2.297 -6.577) 6.967 10.342 ( 0.000 -4.959 9.156) 10.413 10.415 ( 0.000 8.262 -2.985) 8.785 10.620 ( 0.000 -17.371 -4.779) 18.016 10.735 ( 0.000 20.711 10.995) 23.448 10.875 ( 0.000 -7.872 2.635) 8.301 11.012 ( 0.000 -7.372 2.449) 7.768 11.133 ( 0.000 -1.224 3.349) 3.565 11.431 ( 0.000 17.522 16.286) 23.922 11.448 ( 0.000 -0.777 -12.252) 12.277 11.698 ( 0.000 -8.767 -16.994) 19.122 12.293 ( 0.000 0.158 2.187) 2.193 12.320 ( 0.000 2.462 3.772) 4.504 12.699 ( 0.000 -0.060 -18.492) 18.492 13.263 ( 0.000 12.108 -4.158) 12.802 13.401 ( 0.000 15.459 -21.180) 26.222 14.151 ( 0.000 9.620 5.027) 10.854 14.228 ( 0.000 7.778 -1.852) 7.995 14.249 ( 0.000 -0.501 -1.161) 1.265 14.297 ( 0.000 -6.881 1.566) 7.057 14.425 ( 0.000 -9.461 0.075) 9.461 14.727 ( 0.000 -3.932 -22.543) 22.884 15.258 ( 0.000 1.520 1.937) 2.462 15.277 ( 0.000 10.927 7.763) 13.403 15.310 ( 0.000 6.419 1.986) 6.719 15.637 ( 0.000 18.006 -25.756) 31.425 16.932 ( 0.000 3.663 28.497) 28.731 18.186 ( 0.000 -27.694 50.043) 57.195 18.267 ( 0.000 1.471 -20.913) 20.965 19.145 ( 0.000 -13.595 -2.178) 13.768 19.787 ( 0.000 9.269 3.104) 9.775 20.142 ( 0.000 -0.205 -7.975) 7.977 20.321 ( 0.000 10.138 0.723) 10.163 20.364 ( 0.000 2.383 -0.749) 2.498 22.824 ( 0.000 -3.385 1.225) 3.600 22.972 ( 0.000 -8.583 -4.815) 9.841 23.428 ( 0.000 -19.803 5.479) 20.547 23.610 ( 0.000 -23.337 -1.632) 23.394 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 4.706 15.452 -3.928) 16.624 1.833 ( 5.898 22.932 -7.219) 24.754 2.009 ( -2.174 13.458 5.632) 14.750 2.135 ( -1.806 22.135 6.839) 23.237 2.340 ( -5.062 7.147 -6.643) 10.993 2.602 ( -8.468 12.778 -6.669) 16.717 2.708 ( -10.749 8.104 8.487) 15.914 2.871 ( -7.961 6.665 7.686) 12.918 2.978 ( -0.458 5.243 -1.549) 5.486 3.055 ( 2.540 11.230 -2.963) 11.888 3.133 ( -1.890 6.681 -5.206) 8.678 3.230 ( 6.287 4.984 0.646) 8.048 3.448 ( 0.095 9.605 1.456) 9.715 3.596 ( 3.419 6.601 -2.113) 7.729 3.713 ( 7.101 15.847 5.660) 18.264 3.784 ( 12.683 13.582 3.298) 18.873 3.959 ( -6.332 5.487 1.974) 8.607 3.973 ( 4.405 10.526 -2.060) 11.595 4.076 ( -1.519 6.096 9.938) 11.757 4.357 ( 0.666 12.639 4.074) 13.296 4.467 ( -0.549 20.682 -1.643) 20.754 4.580 ( 2.930 11.264 2.664) 11.940 4.671 ( 0.965 7.035 5.409) 8.926 4.834 ( 1.552 10.858 -9.142) 14.279 5.099 ( -0.194 3.880 -3.863) 5.479 5.221 ( -4.080 12.624 -3.952) 13.843 5.414 ( -1.096 -3.235 -0.499) 3.452 5.537 ( -6.429 1.612 -2.494) 7.081 5.775 ( 5.784 4.667 -0.916) 7.488 5.891 ( 4.828 10.690 -4.180) 12.452 6.029 ( -1.910 5.158 0.669) 5.540 6.074 ( 0.492 12.048 -0.858) 12.088 6.504 ( 0.346 23.402 -1.366) 23.444 6.541 ( 1.285 28.469 -0.459) 28.502 6.563 ( 1.670 22.438 -1.681) 22.562 6.612 ( 2.315 21.088 -1.973) 21.306 6.678 ( 1.116 23.767 -2.949) 23.976 6.752 ( 8.216 9.823 -4.816) 13.682 7.054 ( -2.145 9.346 6.318) 11.483 7.168 ( -0.930 14.449 0.618) 14.492 7.218 ( -3.705 10.110 4.562) 11.694 7.449 ( -10.288 3.248 -3.618) 11.379 7.745 ( 0.887 4.747 6.402) 8.020 7.873 ( -1.682 -0.502 0.996) 2.019 8.348 ( 3.143 10.408 0.376) 10.879 8.380 ( 2.147 3.717 -1.615) 4.586 8.462 ( 0.785 1.189 -0.652) 1.567 8.556 ( 6.900 3.735 -6.480) 10.176 8.857 ( -1.471 0.386 1.198) 1.936 9.016 ( 0.113 -0.205 -3.329) 3.338 9.123 ( -0.378 -1.882 2.464) 3.123 9.251 ( 2.236 4.424 12.029) 13.010 9.425 ( -5.610 -12.272 -6.391) 14.930 9.505 ( -0.478 6.357 1.475) 6.544 9.534 ( 1.239 4.823 1.124) 5.105 9.753 ( -2.332 -4.701 -3.079) 6.084 9.933 ( -1.649 10.033 5.582) 11.599 10.090 ( -1.755 -1.503 1.284) 2.644 10.251 ( -2.861 -3.731 -1.717) 5.005 10.268 ( -4.719 6.274 1.761) 8.046 10.426 ( 0.976 3.227 1.501) 3.690 10.618 ( -5.626 -7.939 5.807) 11.332 10.650 ( -0.066 -12.599 -0.854) 12.628 10.874 ( -0.203 9.331 -0.544) 9.349 11.021 ( -2.611 -4.897 2.143) 5.949 11.145 ( 2.293 1.814 6.924) 7.516 11.412 ( 1.372 11.214 6.717) 13.144 11.532 ( 5.039 -4.238 -5.005) 8.271 11.756 ( 5.393 -6.046 -11.139) 13.774 12.159 ( -8.950 -0.193 3.790) 9.722 12.410 ( 5.269 4.489 -1.613) 7.107 12.677 ( -2.403 0.755 -17.948) 18.124 13.343 ( 8.312 11.150 -7.007) 15.573 13.528 ( 13.292 16.203 -18.877) 28.206 14.068 ( -8.877 6.455 0.905) 11.013 14.219 ( -0.673 8.102 -1.125) 8.207 14.262 ( 0.536 3.380 -1.629) 3.790 14.312 ( 1.376 -8.107 1.463) 8.353 14.418 ( -0.427 -7.954 1.579) 8.120 14.657 ( -7.876 -1.604 -24.506) 25.790 15.254 ( -0.538 4.306 2.478) 4.997 15.297 ( -0.365 6.435 3.332) 7.256 15.313 ( 2.253 8.329 5.121) 10.034 15.537 ( -9.340 18.628 -16.595) 26.639 16.962 ( 3.383 3.177 30.222) 30.576 17.702 ( -28.227 -7.104 39.463) 49.036 18.589 ( 14.653 -13.241 -9.604) 21.960 19.118 ( -3.457 -14.387 -5.289) 15.713 19.847 ( 5.234 8.364 1.866) 10.041 20.080 ( -5.555 3.664 -6.576) 9.356 20.295 ( -2.530 8.189 0.415) 8.581 20.337 ( -2.558 4.554 -0.068) 5.224 22.854 ( 4.893 -5.129 2.861) 7.644 23.092 ( 7.565 -12.183 -7.345) 16.112 23.427 ( 1.690 -20.476 6.706) 21.612 23.630 ( 1.373 -23.991 -2.084) 24.120 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 5.218 14.066 0.017) 15.002 1.942 ( 0.222 13.097 2.697) 13.374 2.015 ( 8.037 18.877 -3.037) 20.740 2.118 ( -0.044 16.169 2.760) 16.403 2.228 ( -5.499 12.317 -2.709) 13.758 2.313 ( -15.730 10.582 4.543) 19.495 2.665 ( 1.579 12.184 -1.198) 12.344 2.738 ( -6.158 8.748 1.985) 10.881 2.997 ( 2.870 6.961 -2.747) 8.015 3.065 ( -3.613 8.183 -3.191) 9.497 3.143 ( 5.051 10.054 -4.375) 12.072 3.243 ( -4.701 8.117 -6.466) 11.393 3.536 ( 8.735 3.703 5.410) 10.921 3.646 ( 0.496 1.506 2.764) 3.186 3.780 ( 0.035 9.406 2.507) 9.734 3.836 ( -4.520 5.984 -0.042) 7.500 3.965 ( 4.061 14.286 5.990) 16.015 4.026 ( -1.974 11.623 7.324) 13.880 4.145 ( 12.427 12.580 4.466) 18.238 4.330 ( -6.284 18.538 6.159) 20.520 4.494 ( 5.397 11.868 -1.011) 13.076 4.606 ( -4.276 11.312 2.876) 12.430 4.681 ( 4.706 15.968 -0.730) 16.663 4.807 ( -6.730 17.222 -4.287) 18.980 5.112 ( 6.321 5.388 -3.800) 9.134 5.222 ( -1.125 6.275 -5.631) 8.506 5.379 ( -1.514 -6.960 -1.856) 7.361 5.422 ( -5.028 -2.348 -2.645) 6.147 5.875 ( 4.906 4.515 0.157) 6.669 5.946 ( -1.726 9.917 1.873) 10.238 6.009 ( 2.680 8.356 -4.953) 10.076 6.067 ( -1.924 11.280 -3.170) 11.874 6.513 ( 1.024 32.469 -0.218) 32.486 6.532 ( -0.943 35.403 -0.738) 35.423 6.622 ( 2.306 23.207 -1.382) 23.362 6.646 ( -0.046 27.461 -1.851) 27.523 6.766 ( 9.288 5.973 1.836) 11.195 6.917 ( 2.870 1.877 0.598) 3.481 6.980 ( 0.375 11.037 0.671) 11.064 7.136 ( -4.001 11.059 -1.602) 11.869 7.171 ( -0.835 12.269 1.250) 12.361 7.228 ( -10.614 7.633 -1.623) 13.173 7.776 ( 2.179 2.154 3.611) 4.736 7.824 ( -3.049 0.015 2.065) 3.683 8.417 ( 3.673 4.762 0.138) 6.015 8.460 ( 0.561 3.550 0.537) 3.634 8.476 ( 5.779 2.671 0.820) 6.418 8.602 ( -4.349 6.917 -2.876) 8.662 8.867 ( 5.574 -3.495 -1.944) 6.860 8.989 ( -4.698 -1.152 -3.650) 6.060 9.162 ( 3.617 4.711 1.491) 6.124 9.233 ( -3.727 8.045 7.103) 11.361 9.358 ( 1.037 -8.360 -6.848) 10.856 9.446 ( -5.843 1.373 -1.562) 6.202 9.615 ( 6.421 1.848 0.335) 6.690 9.704 ( -3.162 1.050 -2.532) 4.185 9.928 ( 2.274 8.802 8.320) 12.323 10.026 ( -6.564 -0.667 8.863) 11.049 10.167 ( -0.838 6.496 -1.319) 6.682 10.205 ( -3.689 6.718 -2.496) 8.060 10.461 ( 2.670 -7.933 2.881) 8.852 10.518 ( -3.854 -14.171 5.231) 15.589 10.705 ( 4.452 -12.034 -4.428) 13.573 10.805 ( -6.013 -4.914 -4.234) 8.844 11.039 ( 4.070 10.695 5.567) 12.726 11.121 ( -4.044 11.188 7.735) 14.190 11.496 ( 5.918 -1.399 3.192) 6.869 11.571 ( -1.339 -5.695 -0.904) 5.920 11.868 ( 6.568 -3.950 -4.185) 8.732 12.000 ( -8.048 -1.616 1.107) 8.283 12.514 ( 5.956 5.356 -9.378) 12.333 12.613 ( -4.559 2.909 -15.311) 16.238 13.557 ( 14.688 10.235 -6.843) 19.166 13.819 ( 1.365 15.534 -10.687) 18.904 13.868 ( 3.308 7.140 -13.662) 15.766 14.150 ( -9.726 11.202 -14.091) 20.460 14.280 ( 1.710 3.434 0.139) 3.838 14.320 ( -1.527 -5.066 -0.832) 5.356 14.416 ( 0.348 -5.348 2.312) 5.837 14.472 ( -8.392 0.378 -11.602) 14.324 15.240 ( -0.326 6.974 2.710) 7.490 15.264 ( -2.725 7.447 2.094) 8.202 15.359 ( 2.147 8.865 4.552) 10.195 15.402 ( -3.755 13.015 0.296) 13.549 17.064 ( 8.132 1.801 35.216) 36.188 17.284 ( -16.936 -0.814 41.532) 44.860 18.817 ( 11.272 -14.047 -15.475) 23.746 19.005 ( -8.765 -15.212 -12.352) 21.466 19.932 ( 3.606 8.936 -0.218) 9.639 19.991 ( -3.604 9.035 -2.732) 10.103 20.258 ( -0.578 6.712 0.628) 6.766 20.284 ( -2.835 6.340 0.283) 6.950 22.986 ( 8.256 -9.555 2.323) 12.839 23.114 ( -4.579 -12.796 -2.190) 13.766 23.530 ( 7.524 -23.570 1.508) 24.788 23.627 ( -2.497 -24.771 -1.807) 24.962 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 0.000 14.622 -2.325) 14.806 2.204 ( 0.000 17.221 -8.437) 19.176 2.235 ( 0.000 10.379 4.613) 11.358 2.471 ( 0.000 3.400 -5.360) 6.347 2.680 ( 0.000 24.762 4.679) 25.200 2.878 ( 0.000 -1.676 11.269) 11.393 2.985 ( 0.000 14.122 -6.513) 15.552 2.992 ( 0.000 -1.214 3.562) 3.763 3.144 ( 0.000 6.146 3.303) 6.977 3.175 ( 0.000 5.670 0.710) 5.714 3.187 ( 0.000 5.470 -0.300) 5.478 3.283 ( 0.000 0.962 -0.690) 1.184 3.505 ( 0.000 0.053 -4.660) 4.660 3.526 ( 0.000 -0.626 -2.252) 2.338 3.860 ( 0.000 3.458 2.140) 4.067 4.030 ( 0.000 11.921 5.475) 13.118 4.101 ( 0.000 6.142 -0.679) 6.179 4.109 ( 0.000 2.604 0.005) 2.604 4.174 ( 0.000 7.093 6.745) 9.788 4.628 ( 0.000 17.994 5.557) 18.833 4.695 ( 0.000 4.483 -2.764) 5.267 4.759 ( 0.000 8.165 5.129) 9.643 4.878 ( 0.000 7.859 -4.082) 8.856 5.038 ( 0.000 18.601 -5.835) 19.495 5.170 ( 0.000 3.475 3.731) 5.099 5.433 ( 0.000 5.481 1.838) 5.780 5.542 ( 0.000 9.955 -7.749) 12.615 5.617 ( 0.000 -0.904 -4.417) 4.508 5.771 ( 0.000 5.964 1.310) 6.107 6.012 ( 0.000 10.704 -6.892) 12.731 6.161 ( 0.000 8.261 2.781) 8.717 6.236 ( 0.000 7.699 0.112) 7.700 6.617 ( 0.000 7.775 0.668) 7.804 6.775 ( 0.000 6.409 -4.972) 8.111 6.803 ( 0.000 3.410 7.784) 8.498 7.016 ( 0.000 14.770 -1.937) 14.896 7.086 ( 0.000 9.880 -3.335) 10.428 7.172 ( 0.000 21.961 -1.660) 22.023 7.386 ( 0.000 9.617 3.673) 10.295 7.432 ( 0.000 13.465 0.426) 13.472 7.583 ( 0.000 19.216 0.531) 19.223 7.717 ( 0.000 17.211 -4.984) 17.918 7.971 ( 0.000 16.171 6.769) 17.530 8.031 ( 0.000 14.373 0.942) 14.404 8.423 ( 0.000 -1.437 1.303) 1.940 8.479 ( 0.000 3.020 -4.908) 5.763 8.587 ( 0.000 15.551 -0.262) 15.554 8.612 ( 0.000 11.010 -3.589) 11.580 8.787 ( 0.000 -21.803 0.130) 21.803 8.890 ( 0.000 1.315 -4.416) 4.607 8.926 ( 0.000 -11.601 -3.776) 12.200 9.124 ( 0.000 -15.801 -9.489) 18.431 9.282 ( 0.000 1.210 18.526) 18.565 9.446 ( 0.000 -6.080 5.879) 8.458 9.667 ( 0.000 4.897 -0.014) 4.897 9.802 ( 0.000 6.982 -1.428) 7.127 9.897 ( 0.000 -9.914 8.220) 12.879 10.103 ( 0.000 1.781 -1.278) 2.192 10.128 ( 0.000 -9.429 -3.419) 10.030 10.367 ( 0.000 3.890 2.349) 4.544 10.454 ( 0.000 -2.562 -7.824) 8.233 10.603 ( 0.000 5.763 -7.928) 9.801 10.733 ( 0.000 -11.037 9.141) 14.330 10.870 ( 0.000 3.280 3.680) 4.930 11.148 ( 0.000 10.946 -2.200) 11.165 11.309 ( 0.000 -11.735 -10.951) 16.051 11.354 ( 0.000 19.828 10.392) 22.386 11.588 ( 0.000 -0.752 -1.198) 1.414 11.730 ( 0.000 12.171 12.925) 17.753 12.324 ( 0.000 3.530 2.614) 4.393 12.345 ( 0.000 -0.014 4.715) 4.715 12.643 ( 0.000 -5.065 -8.406) 9.814 13.450 ( 0.000 5.772 -2.675) 6.361 13.741 ( 0.000 14.111 -24.435) 28.217 14.105 ( 0.000 -9.808 3.032) 10.266 14.123 ( 0.000 -11.269 1.380) 11.353 14.166 ( 0.000 -4.691 0.697) 4.743 14.327 ( 0.000 3.923 -4.801) 6.200 14.406 ( 0.000 7.787 -5.388) 9.469 14.721 ( 0.000 2.793 -24.829) 24.985 15.385 ( 0.000 10.472 8.329) 13.381 15.506 ( 0.000 11.305 12.819) 17.092 15.512 ( 0.000 12.862 6.589) 14.451 15.961 ( 0.000 13.809 -17.548) 22.330 17.042 ( 0.000 7.939 20.654) 22.127 17.748 ( 0.000 -16.058 40.624) 43.683 18.223 ( 0.000 -5.681 -22.088) 22.807 18.805 ( 0.000 -19.763 -5.121) 20.416 19.948 ( 0.000 6.763 1.360) 6.899 20.149 ( 0.000 0.891 -7.665) 7.717 20.413 ( 0.000 1.162 3.221) 3.424 20.473 ( 0.000 4.485 -0.281) 4.494 22.760 ( 0.000 -3.004 0.758) 3.098 22.832 ( 0.000 -5.640 -2.203) 6.055 23.066 ( 0.000 -16.230 3.115) 16.526 23.178 ( 0.000 -19.653 -1.262) 19.694 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 2.292 13.233 -1.432) 13.506 2.190 ( -0.529 12.929 -2.601) 13.198 2.276 ( 3.348 14.588 -0.664) 14.982 2.451 ( -1.770 5.759 -4.480) 7.508 2.601 ( -7.109 20.090 4.569) 21.795 2.749 ( -13.597 4.633 4.710) 15.118 2.892 ( -1.583 5.781 7.888) 9.907 2.992 ( -3.615 7.873 -0.656) 8.688 3.094 ( -1.441 6.819 -0.123) 6.971 3.231 ( 3.170 5.126 -2.899) 6.687 3.247 ( 0.694 6.018 -5.252) 8.018 3.311 ( 4.871 3.818 -0.265) 6.195 3.513 ( -0.270 -1.226 -2.148) 2.488 3.581 ( 4.271 -2.884 -2.454) 5.708 3.939 ( 7.080 3.423 4.213) 8.921 4.013 ( -1.997 7.281 2.544) 7.967 4.076 ( -1.883 4.734 1.187) 5.231 4.132 ( 2.869 5.381 5.973) 8.536 4.174 ( 1.187 5.787 6.318) 8.650 4.679 ( 4.810 17.888 4.061) 18.964 4.750 ( 5.097 8.719 -1.273) 10.180 4.820 ( 1.898 12.040 3.664) 12.728 4.830 ( -1.529 4.770 -2.435) 5.570 5.052 ( 1.715 14.421 -5.741) 15.616 5.171 ( 0.520 3.134 1.702) 3.604 5.374 ( -5.273 3.820 1.387) 6.657 5.476 ( -6.949 9.773 -7.720) 14.262 5.552 ( -5.596 1.482 -4.375) 7.256 5.841 ( 5.829 6.072 1.326) 8.521 6.062 ( 5.004 9.665 -6.261) 12.556 6.139 ( -2.644 8.151 3.015) 9.084 6.254 ( 1.260 8.827 -1.055) 8.978 6.670 ( 5.409 6.661 1.082) 8.649 6.780 ( 2.692 5.018 0.569) 5.723 6.864 ( 3.910 4.157 3.567) 6.730 7.030 ( 1.233 12.696 -2.048) 12.919 7.069 ( -1.446 10.346 -3.863) 11.138 7.168 ( -0.616 20.896 -1.917) 20.993 7.335 ( -4.460 9.627 2.516) 10.904 7.437 ( -0.692 13.492 0.305) 13.513 7.562 ( -1.497 20.979 1.000) 21.056 7.692 ( -2.764 22.247 -2.947) 22.611 7.969 ( -0.121 13.742 4.842) 14.570 8.019 ( -1.226 16.668 0.696) 16.727 8.416 ( 0.146 -0.265 1.526) 1.556 8.484 ( -0.170 3.747 -0.133) 3.753 8.599 ( -1.343 5.397 -4.107) 6.914 8.626 ( 4.751 7.027 -5.076) 9.885 8.812 ( -1.208 -10.251 -0.532) 10.336 8.867 ( 1.372 -6.696 -1.648) 7.031 8.958 ( 2.538 -8.017 -4.666) 9.617 9.090 ( -3.629 -16.852 -10.220) 20.040 9.334 ( 5.028 3.509 17.411) 18.459 9.480 ( 4.027 -4.339 5.648) 8.182 9.617 ( -4.475 5.124 2.510) 7.251 9.817 ( -0.262 2.977 -1.910) 3.547 9.922 ( 3.124 -4.704 6.496) 8.607 10.074 ( -2.775 -0.066 -0.379) 2.802 10.116 ( -0.934 -8.142 -2.368) 8.530 10.359 ( -0.380 3.280 2.539) 4.165 10.490 ( 2.139 -2.615 -11.106) 11.608 10.535 ( -8.155 4.830 0.472) 9.490 10.582 ( -7.394 1.429 1.552) 7.689 10.893 ( -5.216 -4.286 -2.997) 7.386 11.145 ( 4.837 6.982 1.994) 8.725 11.371 ( 1.757 16.847 9.445) 19.393 11.385 ( 4.323 -6.036 -5.017) 8.960 11.538 ( -4.541 -0.135 0.803) 4.613 11.770 ( 4.118 8.735 10.823) 14.505 12.181 ( -8.979 2.602 5.870) 11.039 12.457 ( 5.752 0.636 -0.616) 5.820 12.633 ( -1.137 -4.561 -8.363) 9.593 13.514 ( 6.716 4.754 -3.147) 8.810 13.835 ( 8.794 8.308 -22.462) 25.513 14.061 ( -5.095 -6.568 0.765) 8.348 14.120 ( 0.816 -10.192 2.522) 10.531 14.170 ( 0.608 -3.523 -0.215) 3.581 14.343 ( 1.578 3.932 -5.175) 6.689 14.404 ( -0.194 7.342 -5.862) 9.397 14.679 ( -4.803 3.753 -26.236) 26.935 15.397 ( 1.173 10.707 8.136) 13.498 15.498 ( -1.392 12.740 6.909) 14.559 15.533 ( 2.753 11.598 12.050) 16.949 15.884 ( -7.847 14.899 -12.038) 20.700 17.062 ( 2.314 7.475 21.958) 23.310 17.547 ( -16.094 -6.564 36.059) 40.030 18.352 ( 9.844 -11.587 -18.240) 23.746 18.772 ( -3.726 -19.561 -7.821) 21.393 19.989 ( 4.094 5.920 1.135) 7.287 20.144 ( -0.370 2.668 -6.123) 6.689 20.387 ( -2.405 1.696 3.215) 4.358 20.450 ( -2.486 4.143 -0.236) 4.837 22.766 ( 1.723 -3.784 1.577) 4.447 22.888 ( 3.282 -8.510 -3.656) 9.826 23.064 ( 1.068 -15.757 3.933) 16.276 23.192 ( 0.921 -19.695 -1.481) 19.772 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 3.565 11.144 0.560) 11.713 2.180 ( -1.255 11.213 0.466) 11.293 2.341 ( 3.490 13.471 -1.371) 13.983 2.414 ( -3.466 11.279 -1.801) 11.937 2.487 ( -2.227 13.901 4.057) 14.651 2.548 ( -7.345 13.452 1.923) 15.447 2.867 ( -0.296 7.201 3.746) 8.123 2.906 ( -4.372 7.943 0.975) 9.119 3.117 ( 3.249 5.975 -3.387) 7.598 3.191 ( -4.246 5.070 -5.581) 8.653 3.306 ( 3.611 6.015 -3.342) 7.771 3.354 ( -1.032 3.635 -4.706) 6.036 3.575 ( 6.075 0.126 2.560) 6.593 3.634 ( 0.926 -1.927 1.318) 2.512 3.907 ( -3.454 3.133 0.096) 4.665 3.928 ( -5.444 4.641 -0.596) 7.179 4.172 ( 1.500 4.722 10.734) 11.822 4.181 ( 1.139 5.028 9.207) 10.552 4.309 ( 17.142 4.158 3.394) 17.963 4.612 ( -14.518 6.661 1.742) 16.068 4.782 ( 4.975 16.501 2.357) 17.395 4.832 ( 0.574 11.645 3.378) 12.138 4.990 ( 10.545 13.228 -4.162) 17.421 5.093 ( 1.408 8.846 -4.178) 9.884 5.179 ( 0.077 4.572 0.109) 4.574 5.267 ( -7.709 0.782 -3.496) 8.501 5.362 ( -1.054 7.228 -4.595) 8.629 5.435 ( -6.544 4.173 -3.983) 8.724 5.954 ( 6.298 7.051 2.354) 9.743 6.063 ( -5.316 7.867 3.321) 10.059 6.169 ( 5.839 9.048 -5.850) 12.255 6.249 ( -2.395 9.350 -4.011) 10.452 6.789 ( 6.764 4.467 2.244) 8.411 6.878 ( 2.730 2.916 0.512) 4.027 6.892 ( 2.927 5.387 4.933) 7.869 7.019 ( -4.022 6.676 -0.784) 7.833 7.064 ( 1.726 11.218 -2.170) 11.555 7.128 ( -4.265 15.384 0.126) 15.964 7.295 ( 2.378 16.040 -3.036) 16.497 7.381 ( -5.051 14.516 -3.361) 15.733 7.566 ( 2.116 25.387 2.672) 25.615 7.625 ( -3.994 26.687 1.085) 27.006 7.972 ( 0.664 14.506 1.619) 14.611 7.993 ( -1.439 17.313 0.609) 17.384 8.437 ( 1.996 -0.471 1.708) 2.668 8.474 ( -1.411 0.560 2.354) 2.801 8.595 ( 2.318 1.994 -2.707) 4.083 8.675 ( -4.027 -0.686 -3.907) 5.653 8.793 ( 5.666 -2.851 -6.869) 9.350 8.910 ( -3.178 -5.643 -6.658) 9.288 8.982 ( 2.401 -12.312 -3.077) 12.916 9.032 ( -1.947 -15.725 -3.553) 16.239 9.427 ( 4.892 6.925 9.675) 12.865 9.520 ( -5.076 6.221 5.607) 9.793 9.611 ( 8.820 -1.794 6.811) 11.287 9.761 ( -6.087 -1.670 2.732) 6.877 9.977 ( 1.951 -1.679 3.469) 4.319 10.018 ( -2.947 -1.432 1.085) 3.452 10.145 ( 5.583 -3.848 -1.291) 6.902 10.298 ( -9.668 -1.607 1.336) 9.891 10.395 ( 1.278 8.425 -1.696) 8.689 10.466 ( -5.424 5.932 -1.833) 8.244 10.599 ( 6.680 -1.263 -7.233) 9.927 10.744 ( -8.836 -2.299 -7.927) 12.091 11.268 ( 6.853 3.971 5.063) 9.401 11.371 ( -3.401 10.747 4.249) 12.046 11.435 ( 1.855 -2.699 4.562) 5.615 11.468 ( -2.148 0.056 2.519) 3.311 11.873 ( 7.008 5.308 8.093) 11.949 12.017 ( -8.610 3.605 6.862) 11.585 12.545 ( 3.905 -1.255 -5.226) 6.644 12.601 ( -2.334 -3.206 -7.704) 8.665 13.675 ( 10.290 1.026 -2.641) 10.673 13.860 ( -8.493 -4.589 -3.464) 10.256 14.062 ( 5.233 -7.207 -7.321) 11.529 14.119 ( -1.460 -13.393 1.297) 13.534 14.243 ( 8.725 12.059 -12.377) 19.358 14.362 ( -1.534 8.137 -7.916) 11.456 14.410 ( 2.474 4.405 -8.458) 9.852 14.539 ( -10.001 6.017 -24.429) 27.074 15.425 ( 1.918 11.737 7.903) 14.279 15.464 ( -2.205 12.452 7.628) 14.768 15.601 ( 4.792 13.194 9.059) 16.707 15.721 ( -8.478 15.614 0.769) 17.784 17.133 ( 5.724 5.859 25.904) 27.168 17.286 ( -11.422 1.964 31.715) 33.766 18.523 ( 8.738 -15.515 -17.080) 24.673 18.670 ( -7.158 -18.114 -13.322) 23.597 20.072 ( 4.353 5.164 0.300) 6.760 20.130 ( -1.697 4.931 -2.450) 5.762 20.356 ( -0.051 2.630 2.023) 3.319 20.392 ( -3.312 3.525 0.242) 4.843 22.822 ( 3.919 -6.885 1.359) 8.038 22.888 ( -2.693 -9.740 -0.922) 10.147 23.128 ( 4.624 -16.936 0.980) 17.583 23.189 ( -1.679 -19.067 -1.119) 19.174 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.000 8.032 0.190) 8.034 2.435 ( 0.000 5.866 -6.048) 8.425 2.447 ( 0.000 10.638 0.905) 10.677 2.528 ( 0.000 2.687 -2.186) 3.464 2.821 ( 0.000 -3.075 7.273) 7.896 2.881 ( 0.000 -8.747 4.604) 9.885 3.071 ( 0.000 11.723 1.817) 11.863 3.178 ( 0.000 3.138 -0.197) 3.144 3.261 ( 0.000 4.269 -1.026) 4.391 3.298 ( 0.000 7.714 -1.139) 7.797 3.312 ( 0.000 10.710 2.301) 10.954 3.353 ( 0.000 7.947 1.597) 8.106 3.484 ( 0.000 -2.961 -4.424) 5.324 3.484 ( 0.000 -1.360 -4.432) 4.637 3.874 ( 0.000 -2.495 8.858) 9.203 4.109 ( 0.000 -1.498 10.107) 10.217 4.157 ( 0.000 1.368 0.419) 1.431 4.158 ( 0.000 2.142 0.497) 2.198 4.322 ( 0.000 5.679 -7.194) 9.166 4.687 ( 0.000 -4.134 -11.109) 11.853 4.887 ( 0.000 9.551 3.444) 10.153 4.982 ( 0.000 4.662 -1.509) 4.900 5.035 ( 0.000 15.457 7.607) 17.228 5.220 ( 0.000 3.667 8.567) 9.319 5.422 ( 0.000 16.361 -3.405) 16.711 5.568 ( 0.000 6.087 -1.883) 6.372 5.614 ( 0.000 1.173 -5.670) 5.790 5.690 ( 0.000 4.981 -4.523) 6.728 5.997 ( 0.000 16.453 5.533) 17.358 6.251 ( 0.000 12.380 -5.736) 13.645 6.358 ( 0.000 10.512 0.049) 10.512 6.414 ( 0.000 10.221 0.311) 10.226 6.753 ( 0.000 3.870 2.755) 4.750 6.850 ( 0.000 0.341 -2.287) 2.313 6.873 ( 0.000 6.533 9.598) 11.610 7.176 ( 0.000 3.954 -2.033) 4.446 7.204 ( 0.000 3.760 -5.155) 6.381 7.427 ( 0.000 4.726 -8.997) 10.163 7.441 ( 0.000 -0.780 3.128) 3.223 7.643 ( 0.000 2.831 -6.590) 7.172 7.911 ( 0.000 13.179 1.415) 13.255 8.016 ( 0.000 10.408 -2.117) 10.621 8.257 ( 0.000 3.304 5.870) 6.736 8.299 ( 0.000 15.004 5.658) 16.035 8.346 ( 0.000 -10.824 4.234) 11.623 8.445 ( 0.000 1.671 4.578) 4.874 8.469 ( 0.000 -3.168 -4.387) 5.411 8.694 ( 0.000 -6.441 -4.626) 7.930 8.740 ( 0.000 -1.609 -4.972) 5.226 8.817 ( 0.000 -11.644 -13.246) 17.636 8.943 ( 0.000 15.867 -0.213) 15.869 9.064 ( 0.000 13.250 -2.283) 13.445 9.358 ( 0.000 5.994 14.496) 15.687 9.455 ( 0.000 5.442 2.987) 6.208 9.708 ( 0.000 -0.446 9.847) 9.857 9.769 ( 0.000 -1.428 -3.684) 3.951 9.868 ( 0.000 -5.274 0.168) 5.277 10.025 ( 0.000 2.188 -4.371) 4.888 10.088 ( 0.000 -2.752 -1.813) 3.296 10.364 ( 0.000 -8.165 -9.287) 12.366 10.446 ( 0.000 3.027 2.454) 3.897 10.529 ( 0.000 -7.355 7.089) 10.215 10.632 ( 0.000 -0.312 -3.640) 3.654 10.780 ( 0.000 -15.299 -5.049) 16.110 11.192 ( 0.000 3.427 2.878) 4.475 11.367 ( 0.000 9.702 -3.306) 10.250 11.631 ( 0.000 6.753 6.888) 9.646 11.649 ( 0.000 4.638 2.481) 5.260 11.933 ( 0.000 9.557 11.180) 14.708 12.356 ( 0.000 2.410 4.914) 5.473 12.432 ( 0.000 6.469 1.437) 6.627 12.517 ( 0.000 -7.488 -2.482) 7.889 13.488 ( 0.000 -0.796 1.062) 1.327 13.729 ( 0.000 -9.192 -5.274) 10.598 13.898 ( 0.000 -9.974 1.010) 10.025 13.900 ( 0.000 -9.948 2.009) 10.149 14.341 ( 0.000 15.764 -17.181) 23.317 14.443 ( 0.000 7.507 -11.229) 13.507 14.572 ( 0.000 8.232 -7.479) 11.122 14.778 ( 0.000 1.922 -19.521) 19.616 15.615 ( 0.000 11.397 12.640) 17.019 15.698 ( 0.000 7.823 17.502) 19.171 15.772 ( 0.000 12.686 8.520) 15.282 16.149 ( 0.000 4.580 -5.880) 7.453 17.253 ( 0.000 13.232 10.355) 16.802 17.577 ( 0.000 -0.861 22.944) 22.961 18.062 ( 0.000 -10.179 -18.196) 20.850 18.398 ( 0.000 -20.783 -6.932) 21.909 20.056 ( 0.000 4.421 0.902) 4.512 20.168 ( 0.000 0.857 -4.433) 4.515 20.393 ( 0.000 -2.778 3.655) 4.591 20.486 ( 0.000 -2.831 -0.830) 2.950 22.710 ( 0.000 -1.954 0.535) 2.026 22.744 ( 0.000 -3.498 -0.899) 3.612 22.807 ( 0.000 -9.670 1.425) 9.775 22.858 ( 0.000 -12.400 -0.622) 12.415 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 1.110 8.149 0.223) 8.227 2.402 ( -1.331 8.353 -2.637) 8.860 2.495 ( 2.712 6.922 -1.020) 7.504 2.549 ( 1.768 4.529 -0.945) 4.953 2.759 ( -5.200 0.827 4.730) 7.078 2.849 ( -2.071 -2.141 1.687) 3.423 3.022 ( -4.839 9.896 4.089) 11.750 3.129 ( -4.919 3.914 0.890) 6.349 3.255 ( -1.654 8.476 -1.751) 8.812 3.312 ( 1.340 4.055 -4.889) 6.492 3.364 ( 3.158 7.811 1.147) 8.503 3.392 ( 2.944 5.176 -0.208) 5.958 3.448 ( 1.796 -2.493 -0.615) 3.133 3.541 ( 3.058 -2.198 -2.249) 4.386 3.913 ( 2.360 -4.684 7.018) 8.761 4.079 ( -3.512 -3.178 4.617) 6.614 4.136 ( -0.057 4.230 1.605) 4.525 4.195 ( 3.478 1.345 3.874) 5.378 4.276 ( -2.753 4.263 -0.614) 5.111 4.713 ( -0.689 -7.654 -10.234) 12.798 4.935 ( 4.637 9.040 2.839) 10.549 4.999 ( 2.708 7.243 -0.312) 7.739 5.070 ( 3.617 14.136 5.051) 15.440 5.230 ( 0.568 4.070 5.792) 7.102 5.375 ( -3.440 15.168 -0.967) 15.584 5.497 ( -4.910 6.419 -2.754) 8.537 5.601 ( -4.629 5.074 -2.574) 7.335 5.644 ( -3.069 5.180 -7.484) 9.605 6.054 ( 5.191 14.889 4.464) 16.388 6.279 ( 2.879 11.399 -4.894) 12.735 6.340 ( -1.847 11.137 0.632) 11.306 6.450 ( 2.513 10.845 -1.011) 11.178 6.785 ( 3.429 2.913 2.586) 5.189 6.845 ( 1.562 2.278 1.036) 2.950 6.927 ( 3.597 4.176 7.148) 9.026 7.155 ( -2.196 2.635 -2.442) 4.211 7.175 ( -2.599 2.251 -4.087) 5.341 7.363 ( -4.444 1.515 1.046) 4.810 7.494 ( 3.275 5.854 -7.623) 10.154 7.646 ( -0.176 3.281 -6.856) 7.603 7.928 ( 2.049 14.350 2.191) 14.660 8.040 ( 2.176 9.629 -1.203) 9.945 8.205 ( -4.564 6.184 5.860) 9.665 8.254 ( -3.883 4.397 5.656) 8.149 8.357 ( 1.394 -8.294 2.754) 8.850 8.474 ( 1.957 3.552 2.640) 4.839 8.484 ( 1.029 -1.407 -4.743) 5.053 8.654 ( -2.778 -4.714 -4.673) 7.196 8.773 ( 1.221 -2.111 -5.369) 5.897 8.818 ( 1.114 -5.943 -11.742) 13.207 8.937 ( -0.621 10.859 -0.588) 10.892 9.044 ( -2.213 11.818 -2.960) 12.383 9.403 ( 4.843 4.127 15.373) 16.638 9.491 ( 3.671 4.712 3.256) 6.803 9.690 ( -1.967 1.292 10.858) 11.110 9.761 ( -0.976 -0.859 -2.634) 2.938 9.864 ( -0.674 -7.200 1.231) 7.335 10.021 ( -2.210 -0.986 -1.647) 2.927 10.087 ( 2.332 0.664 -5.811) 6.297 10.393 ( 1.008 -7.915 -10.206) 12.955 10.427 ( -0.759 1.855 3.609) 4.128 10.504 ( -1.453 -2.328 4.258) 5.066 10.629 ( -0.586 0.713 -3.707) 3.821 10.740 ( -4.049 -13.200 -5.742) 14.953 11.220 ( 3.028 4.244 4.538) 6.912 11.395 ( 1.934 6.423 -1.151) 6.806 11.562 ( -4.426 4.950 5.040) 8.336 11.654 ( -1.408 6.442 3.269) 7.359 11.960 ( 2.850 9.733 10.851) 14.852 12.265 ( -7.084 5.860 6.018) 10.988 12.475 ( 2.306 1.776 -0.126) 2.913 12.516 ( -0.062 -6.970 -2.609) 7.442 13.529 ( 4.145 -1.984 0.802) 4.665 13.744 ( 1.150 -9.815 -4.675) 10.932 13.863 ( -3.351 -10.038 1.465) 10.684 13.887 ( -1.331 -10.837 1.738) 11.056 14.396 ( 5.673 15.063 -17.807) 24.003 14.462 ( 1.964 7.727 -10.886) 13.493 14.566 ( -0.710 8.196 -7.851) 11.372 14.754 ( -2.690 2.806 -20.137) 20.509 15.628 ( 1.438 11.383 12.342) 16.851 15.730 ( 3.328 8.013 16.054) 18.249 15.757 ( -1.541 12.476 9.092) 15.514 16.089 ( -6.107 5.457 -2.275) 8.500 17.266 ( 1.482 13.003 11.042) 17.123 17.507 ( -6.324 3.368 20.412) 21.633 18.115 ( 4.875 -12.567 -16.563) 21.355 18.375 ( -2.598 -20.199 -8.402) 22.030 20.083 ( 2.782 3.817 0.881) 4.804 20.182 ( 1.336 1.253 -3.885) 4.295 20.374 ( -1.758 -2.571 3.544) 4.718 20.462 ( -2.551 -2.665 -0.728) 3.760 22.706 ( 0.085 -2.210 0.745) 2.334 22.751 ( -0.192 -5.564 -1.039) 5.664 22.820 ( 1.937 -8.728 1.387) 9.048 22.873 ( 1.141 -12.390 -0.672) 12.460 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 3.069 8.346 0.378) 8.900 2.378 ( -2.093 8.688 -0.631) 8.959 2.525 ( 1.445 5.065 0.100) 5.268 2.565 ( -1.404 4.529 -0.419) 4.760 2.717 ( 2.537 8.960 1.999) 9.524 2.807 ( -4.344 10.193 0.031) 11.080 2.950 ( -0.008 2.308 3.359) 4.075 3.023 ( -6.043 3.338 0.680) 6.937 3.249 ( 0.879 7.049 -2.840) 7.651 3.283 ( -2.555 4.599 -4.775) 7.105 3.411 ( 1.807 6.088 -0.599) 6.379 3.423 ( 0.555 4.726 -1.581) 5.014 3.546 ( 5.459 -2.665 1.830) 6.344 3.586 ( 1.052 -2.877 0.528) 3.109 3.916 ( -0.298 -2.915 1.470) 3.279 3.968 ( -6.055 -1.895 -0.526) 6.367 4.197 ( 3.209 0.407 8.978) 9.543 4.239 ( -1.770 1.486 6.503) 6.901 4.335 ( 12.760 -1.004 2.186) 12.984 4.585 ( -12.340 -6.921 -1.870) 14.272 5.041 ( 5.839 9.545 1.647) 11.310 5.070 ( 3.532 10.657 1.526) 11.330 5.140 ( 2.601 5.559 -1.260) 6.265 5.194 ( -4.012 4.772 -0.783) 6.283 5.367 ( 2.126 12.205 0.539) 12.401 5.436 ( -2.643 10.678 -1.740) 11.137 5.501 ( -2.042 6.778 -4.232) 8.247 5.568 ( -5.331 7.160 -5.015) 10.239 6.161 ( 6.125 13.013 3.236) 14.742 6.264 ( -4.763 11.565 2.128) 12.687 6.371 ( 5.025 10.520 -4.391) 12.458 6.451 ( -2.805 10.407 -3.416) 11.307 6.871 ( 5.048 3.656 2.043) 6.559 6.910 ( 3.629 0.745 1.419) 3.967 6.968 ( 1.628 3.838 5.575) 6.962 7.073 ( -6.627 0.922 -0.521) 6.711 7.172 ( 3.272 1.592 -0.844) 3.735 7.267 ( -5.912 2.195 2.447) 6.765 7.560 ( 3.841 7.636 -9.749) 12.965 7.622 ( -2.539 5.669 -8.359) 10.414 7.987 ( 4.228 15.519 3.059) 16.373 8.058 ( -1.993 15.016 1.400) 15.212 8.143 ( -0.262 -0.995 5.474) 5.570 8.183 ( -3.499 -1.808 5.112) 6.453 8.402 ( 3.388 -2.440 -0.689) 4.232 8.464 ( -2.673 3.830 -2.036) 5.095 8.525 ( 3.201 -4.105 -3.552) 6.302 8.593 ( -3.936 -4.466 -4.062) 7.207 8.799 ( 2.268 1.579 -6.296) 6.876 8.835 ( -0.679 3.691 -8.196) 9.015 8.937 ( 1.502 3.719 -2.032) 4.496 8.989 ( -3.446 7.278 -3.396) 8.739 9.514 ( 6.207 1.943 14.686) 16.062 9.569 ( 3.057 1.502 6.815) 7.619 9.646 ( -1.241 2.643 9.197) 9.650 9.713 ( -4.754 -0.626 2.789) 5.547 9.871 ( 2.414 -5.089 0.161) 5.635 9.944 ( -4.950 -3.610 -0.536) 6.150 10.183 ( 6.941 1.444 -6.596) 9.683 10.313 ( -6.689 -0.760 -4.184) 7.926 10.484 ( 3.181 -2.187 -3.808) 5.422 10.499 ( 0.555 -0.396 -0.867) 1.103 10.612 ( -0.304 1.265 -3.447) 3.684 10.656 ( -4.416 -6.764 -5.757) 9.919 11.293 ( 4.646 3.715 6.514) 8.821 11.378 ( -4.021 3.848 5.856) 8.079 11.539 ( 2.309 4.521 0.921) 5.159 11.602 ( -3.784 5.948 2.014) 7.331 12.032 ( 4.907 9.350 9.705) 14.341 12.137 ( -6.539 7.944 7.998) 13.032 12.503 ( 0.920 -2.507 -2.218) 3.472 12.513 ( -0.308 -5.272 -2.831) 5.992 13.624 ( 5.881 -4.580 0.199) 7.457 13.726 ( -4.348 -7.377 -1.824) 8.755 13.825 ( 0.621 -12.319 0.902) 12.368 13.855 ( -1.987 -12.200 0.958) 12.398 14.500 ( 2.974 8.998 -10.571) 14.197 14.532 ( 5.422 10.759 -15.952) 19.991 14.547 ( 0.617 7.951 -11.708) 14.166 14.673 ( -6.274 5.920 -20.812) 22.529 15.666 ( 2.608 11.656 11.283) 16.431 15.716 ( -2.655 12.154 9.901) 15.900 15.819 ( 6.172 8.062 12.617) 16.195 15.952 ( -8.075 7.280 5.768) 12.308 17.309 ( 3.349 11.974 13.137) 18.088 17.391 ( -5.646 9.057 16.521) 19.668 18.213 ( 5.460 -15.792 -14.439) 22.083 18.307 ( -4.641 -18.399 -11.577) 22.228 20.146 ( 3.647 2.742 0.499) 4.590 20.194 ( -0.914 2.063 -1.689) 2.818 20.356 ( 0.729 -2.373 1.961) 3.163 20.402 ( -3.576 -2.340 -0.159) 4.277 22.717 ( 0.969 -3.728 0.598) 3.898 22.737 ( -1.087 -5.507 -0.051) 5.613 22.863 ( 2.102 -10.046 0.276) 10.267 22.885 ( -0.170 -11.779 -0.432) 11.788 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 0.000 4.444 0.346) 4.458 2.460 ( 0.000 -1.985 -1.850) 2.713 2.590 ( 0.000 4.043 1.845) 4.444 2.632 ( 0.000 7.626 -0.659) 7.654 2.708 ( 0.000 -7.554 4.117) 8.603 2.754 ( 0.000 -4.319 1.457) 4.559 3.171 ( 0.000 1.833 0.904) 2.044 3.193 ( 0.000 -0.537 0.313) 0.622 3.323 ( 0.000 2.720 -2.878) 3.960 3.361 ( 0.000 -0.086 -3.621) 3.622 3.437 ( 0.000 -0.901 -2.860) 2.999 3.443 ( 0.000 -0.395 -2.836) 2.863 3.562 ( 0.000 10.850 6.191) 12.492 3.654 ( 0.000 16.279 1.270) 16.329 3.767 ( 0.000 -7.128 10.725) 12.878 3.965 ( 0.000 -12.262 4.467) 13.050 4.181 ( 0.000 0.799 0.383) 0.886 4.184 ( 0.000 0.544 0.495) 0.735 4.436 ( 0.000 6.507 -5.728) 8.669 4.572 ( 0.000 -6.876 -8.494) 10.929 5.045 ( 0.000 5.159 0.412) 5.175 5.063 ( 0.000 2.767 -0.913) 2.914 5.241 ( 0.000 5.446 7.259) 9.075 5.277 ( 0.000 1.154 7.567) 7.654 5.645 ( 0.000 3.184 -0.001) 3.184 5.649 ( 0.000 1.599 -4.102) 4.402 5.667 ( 0.000 6.686 -5.701) 8.786 5.739 ( 0.000 -0.279 -3.035) 3.048 6.354 ( 0.000 16.558 1.992) 16.677 6.442 ( 0.000 5.468 -4.203) 6.897 6.529 ( 0.000 6.948 0.413) 6.960 6.621 ( 0.000 9.466 0.792) 9.499 6.750 ( 0.000 -10.813 0.351) 10.819 6.755 ( 0.000 -3.053 2.041) 3.673 7.089 ( 0.000 14.207 6.064) 15.447 7.221 ( 0.000 0.930 -1.856) 2.076 7.248 ( 0.000 1.116 -4.007) 4.160 7.399 ( 0.000 -4.885 -3.952) 6.283 7.402 ( 0.000 -2.105 0.615) 2.193 7.456 ( 0.000 -15.851 -1.523) 15.924 8.109 ( 0.000 7.070 -0.362) 7.080 8.148 ( 0.000 3.061 0.410) 3.088 8.256 ( 0.000 2.986 1.307) 3.259 8.363 ( 0.000 -6.189 -2.926) 6.846 8.398 ( 0.000 9.932 3.471) 10.522 8.530 ( 0.000 7.006 0.084) 7.007 8.541 ( 0.000 5.219 2.993) 6.016 8.599 ( 0.000 -8.307 -7.633) 11.281 8.640 ( 0.000 -2.452 -6.067) 6.544 8.663 ( 0.000 -6.731 -1.447) 6.885 9.181 ( 0.000 7.944 -0.477) 7.958 9.242 ( 0.000 2.655 -0.905) 2.805 9.516 ( 0.000 8.821 4.504) 9.904 9.580 ( 0.000 4.822 -0.410) 4.839 9.722 ( 0.000 -0.322 2.333) 2.355 9.736 ( 0.000 -5.462 2.110) 5.855 9.794 ( 0.000 5.084 -1.340) 5.258 9.964 ( 0.000 -9.935 -7.498) 12.447 10.078 ( 0.000 4.863 -1.947) 5.238 10.242 ( 0.000 -4.323 -3.829) 5.775 10.378 ( 0.000 -3.776 8.448) 9.253 10.428 ( 0.000 -14.332 5.935) 15.513 10.564 ( 0.000 4.337 0.947) 4.439 10.622 ( 0.000 -1.355 -1.074) 1.729 11.341 ( 0.000 9.060 0.898) 9.104 11.465 ( 0.000 -1.198 -3.531) 3.729 11.674 ( 0.000 0.427 4.845) 4.864 11.692 ( 0.000 -0.374 2.498) 2.526 12.134 ( 0.000 10.777 7.659) 13.221 12.340 ( 0.000 -9.521 3.089) 10.009 12.456 ( 0.000 5.435 2.298) 5.901 12.516 ( 0.000 0.702 0.786) 1.054 13.479 ( 0.000 1.255 1.797) 2.192 13.560 ( 0.000 -6.811 -0.117) 6.812 13.757 ( 0.000 -3.816 0.702) 3.880 13.758 ( 0.000 -3.805 0.487) 3.836 14.574 ( 0.000 6.371 -17.260) 18.398 14.581 ( 0.000 4.898 -14.278) 15.095 14.706 ( 0.000 5.099 -9.221) 10.537 14.777 ( 0.000 -2.020 -13.241) 13.394 15.786 ( 0.000 5.025 15.731) 16.514 15.805 ( 0.000 2.680 17.943) 18.142 15.995 ( 0.000 9.678 7.802) 12.431 16.142 ( 0.000 -4.661 4.181) 6.262 17.541 ( 0.000 15.320 -0.097) 15.320 17.699 ( 0.000 11.999 4.982) 12.992 17.830 ( 0.000 -13.357 -10.351) 16.898 18.006 ( 0.000 -18.401 -4.174) 18.869 20.130 ( 0.000 3.185 0.580) 3.237 20.173 ( 0.000 -0.779 -1.175) 1.409 20.347 ( 0.000 -0.430 1.406) 1.471 20.398 ( 0.000 -4.807 -0.621) 4.847 22.674 ( 0.000 -2.580 0.285) 2.596 22.684 ( 0.000 -1.643 -0.077) 1.645 22.696 ( 0.000 -3.124 0.251) 3.134 22.704 ( 0.000 -1.832 -0.029) 1.833 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.20 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 1.790 4.830 0.168) 5.154 2.475 ( 1.685 -1.097 -2.037) 2.862 2.596 ( -0.364 5.110 2.099) 5.536 2.642 ( -0.853 3.686 0.765) 3.860 2.745 ( 4.517 -3.287 0.933) 5.664 2.753 ( 2.186 -3.962 1.195) 4.680 3.127 ( -4.747 2.288 1.016) 5.367 3.154 ( -4.306 -0.554 0.086) 4.343 3.354 ( 1.445 2.599 -2.682) 4.004 3.369 ( 2.168 1.207 -3.247) 4.086 3.425 ( 0.100 0.919 -1.089) 1.429 3.472 ( 1.941 -2.728 -2.446) 4.147 3.570 ( 0.755 9.929 4.879) 11.089 3.634 ( -1.960 15.424 1.357) 15.608 3.775 ( 0.540 -8.522 8.477) 12.033 3.928 ( -4.019 -11.919 2.928) 12.915 4.185 ( 0.984 1.488 1.515) 2.341 4.204 ( 2.463 -0.300 1.353) 2.826 4.384 ( -4.451 6.971 -2.034) 8.517 4.542 ( -3.896 -8.763 -6.037) 11.332 5.085 ( 4.019 4.917 0.351) 6.360 5.105 ( 4.261 2.947 -1.046) 5.285 5.255 ( 0.800 5.126 5.756) 7.749 5.294 ( 1.301 1.067 5.559) 5.808 5.591 ( -3.527 6.307 -0.655) 7.256 5.624 ( -2.583 5.471 -3.747) 7.117 5.667 ( -1.262 1.151 -3.363) 3.772 5.701 ( -3.219 0.278 -5.326) 6.230 6.374 ( 2.095 14.771 1.138) 14.962 6.459 ( 1.805 5.041 -3.768) 6.547 6.529 ( -0.555 8.013 1.224) 8.125 6.650 ( -0.450 6.652 -0.568) 6.691 6.749 ( 4.789 -5.182 2.734) 7.567 6.818 ( 5.063 -5.011 0.319) 7.131 7.093 ( -0.238 11.002 4.469) 11.877 7.181 ( -4.725 -0.454 -2.813) 5.518 7.203 ( -2.139 3.328 -1.953) 4.412 7.371 ( -1.891 1.676 1.457) 2.917 7.436 ( 1.877 -12.697 -1.612) 12.936 7.491 ( 2.374 -10.843 -1.402) 11.188 8.121 ( 1.052 6.036 -0.254) 6.132 8.147 ( 0.513 3.731 0.721) 3.835 8.280 ( 1.285 3.871 0.134) 4.081 8.321 ( -4.193 3.711 0.525) 5.624 8.396 ( 1.266 -2.429 -2.190) 3.507 8.409 ( -5.206 2.866 0.837) 6.001 8.555 ( -2.322 -0.009 -7.474) 7.826 8.594 ( -2.804 -2.744 -6.312) 7.432 8.709 ( 8.601 1.581 0.894) 8.791 8.775 ( 8.381 -3.299 -1.363) 9.110 9.133 ( -4.877 7.464 -0.202) 8.918 9.198 ( -4.677 1.928 -1.929) 5.414 9.531 ( 1.888 7.838 5.808) 9.936 9.599 ( 1.606 3.980 1.538) 4.559 9.704 ( -1.608 -1.008 5.198) 5.534 9.745 ( -0.543 -2.441 5.146) 5.722 9.801 ( 1.537 4.265 -5.144) 6.857 9.981 ( 2.262 -11.219 -8.293) 14.133 10.030 ( -4.247 5.308 -0.968) 6.867 10.230 ( -2.482 -10.089 -6.074) 12.035 10.401 ( 3.188 -0.631 8.055) 8.685 10.465 ( 3.527 -8.895 4.462) 10.558 10.559 ( -0.630 3.947 1.199) 4.173 10.620 ( -0.414 -1.717 -1.007) 2.033 11.366 ( 2.680 8.744 1.470) 9.262 11.479 ( 1.576 -0.503 -2.580) 3.065 11.631 ( -3.759 2.508 4.705) 6.524 11.684 ( -1.662 -1.931 2.660) 3.684 12.156 ( 2.408 10.239 7.108) 12.695 12.348 ( 0.723 -7.691 2.976) 8.279 12.410 ( -4.194 5.532 2.503) 7.379 12.495 ( -2.275 -1.233 0.596) 2.656 13.501 ( 2.267 0.485 1.418) 2.717 13.572 ( 1.326 -6.643 -0.223) 6.777 13.723 ( -3.541 -3.587 0.344) 5.052 13.731 ( -2.702 -4.423 0.433) 5.201 14.602 ( 2.145 5.162 -13.479) 14.592 14.607 ( 3.249 5.342 -16.490) 17.636 14.701 ( -0.579 5.127 -9.475) 10.789 14.768 ( -1.054 -1.528 -13.513) 13.640 15.802 ( 1.833 5.478 15.040) 16.112 15.833 ( 2.928 2.128 16.627) 17.016 15.973 ( -2.284 9.085 8.461) 12.623 16.103 ( -4.042 -3.568 5.739) 7.874 17.554 ( 1.295 15.448 0.248) 15.504 17.677 ( -2.093 12.987 3.962) 13.738 17.852 ( 2.181 -14.186 -9.460) 17.190 17.992 ( -1.552 -18.155 -4.866) 18.860 20.150 ( 2.058 3.053 0.589) 3.728 20.193 ( 1.991 -0.661 -1.181) 2.407 20.328 ( -1.943 -0.526 1.454) 2.483 20.378 ( -2.132 -4.646 -0.565) 5.143 22.673 ( 0.023 -1.708 0.283) 1.731 22.682 ( -0.178 -0.427 0.000) 0.462 22.705 ( 0.862 -4.462 0.180) 4.547 22.712 ( 0.700 -2.973 -0.034) 3.054 ======================= Grid point 97 (42/63) ======================= q-point: ( 0.40 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 3.517 5.414 -0.005) 6.456 2.513 ( 0.531 3.309 -1.791) 3.800 2.555 ( -1.242 0.308 1.049) 1.654 2.602 ( -3.403 -0.972 0.011) 3.539 2.838 ( 7.894 3.778 1.048) 8.814 2.886 ( 8.075 -0.822 -0.500) 8.132 3.004 ( -7.998 2.907 1.252) 8.602 3.043 ( -7.422 -0.830 -0.117) 7.469 3.371 ( 1.061 5.362 -2.146) 5.872 3.389 ( -0.627 6.068 -2.159) 6.471 3.470 ( 3.648 -4.196 -0.019) 5.560 3.500 ( 0.537 -4.133 -0.955) 4.276 3.582 ( 0.573 9.074 2.801) 9.514 3.599 ( -1.493 11.833 1.636) 12.038 3.783 ( 0.957 -9.549 3.652) 10.268 3.837 ( -4.903 -10.581 1.381) 11.743 4.227 ( 3.442 2.633 3.648) 5.665 4.289 ( 6.795 -3.170 1.740) 7.697 4.301 ( -4.431 5.130 2.633) 7.272 4.430 ( -7.780 -7.647 -1.018) 10.956 5.178 ( 5.694 4.106 0.826) 7.068 5.195 ( 4.759 2.562 -0.288) 5.412 5.252 ( -1.496 4.295 3.007) 5.453 5.276 ( -3.921 2.005 2.089) 4.874 5.563 ( 0.833 6.994 -2.295) 7.408 5.602 ( -0.201 4.898 -2.919) 5.706 5.608 ( -2.478 3.179 -3.271) 5.191 5.651 ( -2.976 0.614 -4.876) 5.745 6.424 ( 3.238 11.842 0.537) 12.289 6.480 ( -1.871 8.942 -0.141) 9.137 6.524 ( 2.478 3.490 -1.434) 4.514 6.594 ( -4.199 1.360 -1.353) 4.617 6.896 ( 8.889 0.606 1.775) 9.085 6.929 ( 6.063 -0.454 -0.502) 6.100 7.049 ( -4.219 2.142 -0.246) 4.738 7.067 ( -6.996 -1.344 -1.315) 7.245 7.225 ( 3.859 7.674 3.582) 9.306 7.310 ( -4.639 5.269 4.210) 8.186 7.475 ( 2.266 -13.931 -1.120) 14.159 7.507 ( -0.752 -12.155 -0.916) 12.213 8.147 ( 2.252 5.329 -0.116) 5.787 8.181 ( 2.136 4.800 0.681) 5.297 8.222 ( -3.573 4.807 0.722) 6.033 8.262 ( -4.178 3.208 0.804) 5.329 8.410 ( 4.215 0.766 -4.619) 6.299 8.445 ( 3.636 -2.660 -5.693) 7.260 8.494 ( -3.931 -0.424 -6.997) 8.037 8.527 ( -4.385 -2.334 -5.463) 7.384 8.867 ( 8.493 4.763 0.496) 9.751 8.932 ( 7.986 0.068 -2.254) 8.299 9.021 ( -6.720 5.327 0.521) 8.591 9.085 ( -7.269 0.561 -2.313) 7.649 9.584 ( 3.527 5.262 8.031) 10.229 9.623 ( 0.398 3.386 5.738) 6.675 9.672 ( -1.059 -0.723 5.603) 5.747 9.702 ( -3.357 -1.050 5.584) 6.599 9.857 ( 4.232 4.483 -4.282) 7.506 9.943 ( -4.991 5.347 -1.882) 7.553 10.053 ( 5.250 -12.521 -8.249) 15.886 10.154 ( -5.325 -13.116 -6.964) 15.776 10.475 ( 4.083 2.314 4.540) 6.529 10.534 ( -1.846 3.341 2.328) 4.471 10.540 ( 3.663 -4.066 1.820) 5.767 10.598 ( -2.149 -2.414 -0.254) 3.242 11.433 ( 4.404 8.345 2.861) 9.860 11.503 ( -1.215 5.718 1.693) 6.086 11.572 ( -0.143 -1.055 2.356) 2.585 11.628 ( -4.035 -2.721 1.875) 5.215 12.218 ( 4.267 9.375 5.850) 11.846 12.306 ( -5.077 8.349 4.467) 10.744 12.390 ( 2.173 -7.255 1.288) 7.682 12.442 ( -3.226 -4.585 0.604) 5.639 13.558 ( 3.852 -0.906 0.593) 4.001 13.605 ( 1.764 -5.008 -0.639) 5.348 13.647 ( -3.783 -3.950 0.700) 5.514 13.671 ( -3.422 -5.762 0.119) 6.702 14.647 ( 2.393 5.356 -11.715) 13.102 14.676 ( 3.420 3.084 -15.030) 15.719 14.683 ( -1.079 5.042 -10.536) 11.729 14.736 ( -2.542 0.152 -14.225) 14.451 15.851 ( 3.393 6.451 12.827) 14.754 15.907 ( 5.010 0.852 13.563) 14.484 15.917 ( -3.582 7.738 10.314) 13.382 16.009 ( -5.764 -1.218 9.488) 11.169 17.587 ( 2.251 15.487 1.210) 15.697 17.632 ( -2.615 14.721 2.542) 15.166 17.900 ( 2.899 -15.932 -8.141) 18.125 17.952 ( -2.651 -17.341 -6.479) 18.701 20.199 ( 3.035 2.925 0.463) 4.241 20.232 ( 1.049 1.561 -1.046) 2.152 20.291 ( -0.901 -2.811 1.336) 3.240 20.327 ( -3.198 -4.375 -0.286) 5.426 22.675 ( 0.203 -0.576 0.228) 0.652 22.679 ( -0.157 -0.034 0.120) 0.201 22.720 ( 0.548 -5.097 0.077) 5.127 22.722 ( 0.271 -4.486 -0.000) 4.494 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.000 0.000 -21.121) 21.121 1.211 ( 0.000 0.000 21.121) 21.121 1.439 ( 0.000 0.000 -27.771) 27.771 1.439 ( 0.000 0.000 27.771) 27.771 1.658 ( 0.000 0.000 -0.817) 0.817 1.658 ( 0.000 0.000 0.817) 0.817 2.248 ( 0.000 0.000 -3.746) 3.746 2.248 ( 0.000 0.000 3.746) 3.746 2.511 ( 0.000 0.000 -3.220) 3.220 2.511 ( 0.000 0.000 3.220) 3.220 2.808 ( 0.000 0.000 -4.261) 4.261 2.808 ( 0.000 0.000 4.261) 4.261 2.950 ( 0.000 0.000 -18.923) 18.923 2.950 ( 0.000 0.000 18.923) 18.923 3.129 ( 0.000 0.000 -1.773) 1.773 3.129 ( 0.000 0.000 1.773) 1.773 3.185 ( 0.000 0.000 -2.973) 2.973 3.185 ( 0.000 0.000 2.973) 2.973 3.457 ( 0.000 0.000 -2.284) 2.284 3.457 ( 0.000 0.000 2.284) 2.284 3.771 ( 0.000 0.000 -14.456) 14.456 3.771 ( 0.000 0.000 14.456) 14.456 3.798 ( 0.000 0.000 -1.187) 1.187 3.798 ( 0.000 0.000 1.187) 1.187 4.473 ( 0.000 0.000 -6.063) 6.063 4.473 ( 0.000 0.000 6.063) 6.063 4.604 ( 0.000 0.000 -6.033) 6.033 4.604 ( 0.000 0.000 6.033) 6.033 5.171 ( 0.000 0.000 -0.954) 0.954 5.171 ( 0.000 0.000 0.954) 0.954 5.750 ( 0.000 0.000 -4.317) 4.317 5.750 ( 0.000 0.000 4.317) 4.317 6.083 ( 0.000 0.000 -5.862) 5.862 6.083 ( 0.000 0.000 5.862) 5.862 6.317 ( 0.000 0.000 -0.389) 0.389 6.317 ( 0.000 0.000 0.389) 0.389 6.603 ( 0.000 0.000 -0.387) 0.387 6.603 ( 0.000 0.000 0.387) 0.387 7.207 ( 0.000 0.000 -4.339) 4.339 7.207 ( 0.000 0.000 4.339) 4.339 7.401 ( 0.000 0.000 -7.133) 7.133 7.401 ( 0.000 0.000 7.133) 7.133 7.607 ( 0.000 0.000 -6.927) 6.927 7.607 ( 0.000 0.000 6.927) 6.927 7.769 ( 0.000 0.000 -5.214) 5.214 7.769 ( 0.000 0.000 5.214) 5.214 7.871 ( 0.000 0.000 -4.214) 4.214 7.871 ( 0.000 0.000 4.214) 4.214 8.137 ( 0.000 0.000 -5.678) 5.678 8.137 ( 0.000 0.000 5.678) 5.678 9.064 ( 0.000 0.000 -1.143) 1.143 9.064 ( 0.000 0.000 1.143) 1.143 9.540 ( 0.000 0.000 -1.692) 1.692 9.540 ( 0.000 0.000 1.692) 1.692 9.557 ( 0.000 0.000 -0.166) 0.166 9.557 ( 0.000 0.000 0.166) 0.166 9.738 ( 0.000 0.000 -3.914) 3.914 9.738 ( 0.000 0.000 3.914) 3.914 10.070 ( 0.000 0.000 -7.390) 7.390 10.070 ( 0.000 0.000 7.390) 7.390 10.203 ( 0.000 0.000 -1.966) 1.966 10.203 ( 0.000 0.000 1.966) 1.966 10.907 ( 0.000 0.000 -24.877) 24.877 10.907 ( 0.000 0.000 24.877) 24.877 11.448 ( 0.000 0.000 -27.061) 27.061 11.448 ( 0.000 0.000 27.061) 27.061 12.040 ( 0.000 0.000 -11.886) 11.886 12.040 ( 0.000 0.000 11.886) 11.886 12.062 ( 0.000 0.000 -11.892) 11.892 12.062 ( 0.000 0.000 11.892) 11.892 12.319 ( 0.000 0.000 -1.792) 1.792 12.319 ( 0.000 0.000 1.792) 1.792 12.682 ( 0.000 0.000 -0.343) 0.343 12.682 ( 0.000 0.000 0.343) 0.343 13.272 ( 0.000 0.000 -4.095) 4.095 13.272 ( 0.000 0.000 4.095) 4.095 13.910 ( 0.000 0.000 -6.120) 6.120 13.910 ( 0.000 0.000 6.120) 6.120 14.552 ( 0.000 0.000 -8.576) 8.576 14.552 ( 0.000 0.000 8.576) 8.576 15.343 ( 0.000 0.000 -3.769) 3.769 15.343 ( 0.000 0.000 3.769) 3.769 15.377 ( 0.000 0.000 -3.740) 3.740 15.377 ( 0.000 0.000 3.740) 3.740 17.515 ( 0.000 0.000 -27.679) 27.679 17.515 ( 0.000 0.000 27.679) 27.679 19.091 ( 0.000 0.000 -5.972) 5.972 19.091 ( 0.000 0.000 5.972) 5.972 19.932 ( 0.000 0.000 -6.256) 6.256 19.932 ( 0.000 0.000 6.256) 6.256 20.817 ( 0.000 0.000 -5.507) 5.507 20.817 ( 0.000 0.000 5.507) 5.507 23.164 ( 0.000 0.000 -10.195) 10.195 23.164 ( 0.000 0.000 10.195) 10.195 24.499 ( 0.000 0.000 -11.374) 11.374 24.499 ( 0.000 0.000 11.374) 11.374 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -6.093 0.000 -19.662) 20.584 1.066 ( -6.093 0.000 19.662) 20.584 1.515 ( 7.889 0.000 -24.428) 25.670 1.515 ( 7.889 0.000 24.428) 25.670 1.906 ( 7.715 0.000 -6.009) 9.779 1.906 ( 7.715 0.000 6.009) 9.779 2.167 ( 2.819 0.000 -10.493) 10.865 2.167 ( 2.819 0.000 10.493) 10.865 2.402 ( -10.857 0.000 -4.642) 11.808 2.402 ( -10.857 0.000 4.642) 11.808 2.780 ( -1.627 0.000 -6.370) 6.574 2.780 ( -1.627 0.000 6.370) 6.574 2.909 ( 1.904 0.000 -19.031) 19.126 2.909 ( 1.904 0.000 19.031) 19.126 3.291 ( 9.109 0.000 -4.097) 9.988 3.291 ( 9.109 0.000 4.097) 9.988 3.365 ( 12.660 0.000 -6.565) 14.261 3.365 ( 12.660 0.000 6.565) 14.261 3.458 ( 0.191 0.000 -2.101) 2.109 3.458 ( 0.191 0.000 2.101) 2.109 3.669 ( -5.271 0.000 -12.623) 13.679 3.669 ( -5.271 0.000 12.623) 13.679 3.768 ( -3.175 0.000 -0.867) 3.291 3.768 ( -3.175 0.000 0.867) 3.291 4.321 ( -13.588 0.000 -10.191) 16.985 4.321 ( -13.588 0.000 10.191) 16.985 4.612 ( -2.094 0.000 -10.673) 10.877 4.612 ( -2.094 0.000 10.673) 10.877 5.197 ( 1.793 0.000 -10.959) 11.104 5.197 ( 1.793 0.000 10.959) 11.104 5.637 ( -6.967 0.000 -6.621) 9.611 5.637 ( -6.967 0.000 6.621) 9.611 6.192 ( 6.413 0.000 -9.302) 11.298 6.192 ( 6.413 0.000 9.302) 11.298 6.375 ( 7.027 0.000 -1.260) 7.139 6.375 ( 7.027 0.000 1.260) 7.139 6.635 ( 1.124 0.000 -1.364) 1.768 6.635 ( 1.124 0.000 1.364) 1.768 7.187 ( -3.671 0.000 -6.680) 7.622 7.187 ( -3.671 0.000 6.680) 7.622 7.474 ( 11.043 0.000 -8.096) 13.693 7.474 ( 11.043 0.000 8.096) 13.693 7.611 ( 0.371 0.000 -5.894) 5.906 7.611 ( 0.371 0.000 5.894) 5.906 7.763 ( -0.566 0.000 -4.567) 4.602 7.763 ( -0.566 0.000 4.567) 4.602 7.874 ( 0.336 0.000 -3.363) 3.380 7.874 ( 0.336 0.000 3.363) 3.380 8.139 ( 0.245 0.000 -5.515) 5.520 8.139 ( 0.245 0.000 5.515) 5.520 9.059 ( -0.522 0.000 -0.926) 1.063 9.059 ( -0.522 0.000 0.926) 1.063 9.339 ( -20.918 0.000 -7.381) 22.182 9.339 ( -20.918 0.000 7.381) 22.182 9.549 ( 0.939 0.000 -1.688) 1.931 9.549 ( 0.939 0.000 1.688) 1.931 9.732 ( -0.545 0.000 -3.405) 3.448 9.732 ( -0.545 0.000 3.405) 3.448 10.077 ( -1.379 0.000 -5.815) 5.976 10.077 ( -1.379 0.000 5.815) 5.976 10.124 ( -3.524 0.000 -4.029) 5.353 10.124 ( -3.524 0.000 4.029) 5.353 11.068 ( 12.676 0.000 -17.597) 21.687 11.068 ( 12.676 0.000 17.597) 21.687 11.575 ( 12.333 0.000 -19.374) 22.966 11.575 ( 12.333 0.000 19.374) 22.966 12.037 ( -0.246 0.000 -7.707) 7.711 12.037 ( -0.246 0.000 7.707) 7.711 12.065 ( 0.232 0.000 -7.712) 7.716 12.065 ( 0.232 0.000 7.712) 7.716 12.219 ( -8.921 0.000 -0.492) 8.935 12.219 ( -8.921 0.000 0.492) 8.935 12.773 ( 8.096 0.000 -2.379) 8.438 12.773 ( 8.096 0.000 2.379) 8.438 13.243 ( -3.346 0.000 -3.262) 4.672 13.243 ( -3.346 0.000 3.262) 4.672 13.887 ( -2.495 0.000 -4.605) 5.238 13.887 ( -2.495 0.000 4.605) 5.238 14.514 ( -3.345 0.000 -8.978) 9.581 14.514 ( -3.345 0.000 8.978) 9.581 15.346 ( 0.300 0.000 -3.658) 3.671 15.346 ( 0.300 0.000 3.658) 3.671 15.375 ( -0.291 0.000 -3.635) 3.647 15.375 ( -0.291 0.000 3.635) 3.647 17.568 ( 5.210 0.000 -23.917) 24.478 17.568 ( 5.210 0.000 23.917) 24.478 19.101 ( 0.752 0.000 -3.871) 3.943 19.101 ( 0.752 0.000 3.871) 3.943 19.877 ( -6.851 0.000 -8.900) 11.231 19.877 ( -6.851 0.000 8.900) 11.231 20.396 ( -32.297 0.000 -12.126) 34.499 20.396 ( -32.297 0.000 12.126) 34.499 23.383 ( 15.654 0.000 -13.963) 20.976 23.383 ( 15.654 0.000 13.963) 20.976 24.579 ( 7.451 0.000 -8.686) 11.444 24.579 ( 7.451 0.000 8.686) 11.444 ======================= Grid point 134 (45/63) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 5.220 0.000 -7.774) 9.364 1.084 ( 5.220 0.000 7.774) 9.364 1.683 ( 8.167 0.000 -13.039) 15.386 1.683 ( 8.167 0.000 13.039) 15.386 1.728 ( -11.956 0.000 -1.574) 12.059 1.728 ( -11.956 0.000 1.574) 12.059 2.189 ( -9.557 0.000 -5.921) 11.243 2.189 ( -9.557 0.000 5.921) 11.243 2.486 ( 16.368 0.000 -1.712) 16.457 2.486 ( 16.368 0.000 1.712) 16.457 2.763 ( -0.361 0.000 -2.269) 2.298 2.763 ( -0.361 0.000 2.269) 2.298 3.012 ( 7.871 0.000 -16.171) 17.985 3.012 ( 7.871 0.000 16.171) 17.985 3.281 ( -12.755 0.000 -7.064) 14.580 3.281 ( -12.755 0.000 7.064) 14.580 3.430 ( 3.056 0.000 -1.346) 3.339 3.430 ( 3.056 0.000 1.346) 3.339 3.482 ( 3.823 0.000 -1.379) 4.064 3.482 ( 3.823 0.000 1.379) 4.064 3.693 ( -4.225 0.000 -0.147) 4.227 3.693 ( -4.225 0.000 0.147) 4.227 3.759 ( 2.913 0.000 -6.405) 7.037 3.759 ( 2.913 0.000 6.405) 7.037 4.184 ( 5.564 0.000 -1.695) 5.817 4.184 ( 5.564 0.000 1.695) 5.817 4.464 ( -13.265 0.000 -8.863) 15.953 4.464 ( -13.265 0.000 8.863) 15.953 5.207 ( -0.326 0.000 -5.849) 5.858 5.207 ( -0.326 0.000 5.849) 5.858 5.580 ( -0.226 0.000 -3.336) 3.344 5.580 ( -0.226 0.000 3.336) 3.344 6.253 ( 1.216 0.000 -4.539) 4.699 6.253 ( 1.216 0.000 4.539) 4.699 6.471 ( 0.455 0.000 -3.528) 3.558 6.471 ( 0.455 0.000 3.528) 3.558 6.699 ( 7.301 0.000 -2.338) 7.666 6.699 ( 7.301 0.000 2.338) 7.666 7.067 ( -7.419 0.000 -2.941) 7.981 7.067 ( -7.419 0.000 2.941) 7.981 7.617 ( 0.253 0.000 -2.476) 2.489 7.617 ( 0.253 0.000 2.476) 2.489 7.754 ( -0.352 0.000 -1.997) 2.028 7.754 ( -0.352 0.000 1.997) 2.028 7.766 ( 14.921 0.000 -8.128) 16.991 7.766 ( 14.921 0.000 8.128) 16.991 7.880 ( 0.187 0.000 -1.264) 1.277 7.880 ( 0.187 0.000 1.264) 1.277 8.141 ( -0.281 0.000 -3.166) 3.179 8.141 ( -0.281 0.000 3.166) 3.179 8.948 ( -16.453 0.000 -7.162) 17.944 8.948 ( -16.453 0.000 7.162) 17.944 9.050 ( -0.312 0.000 -0.355) 0.473 9.050 ( -0.312 0.000 0.355) 0.473 9.566 ( 0.634 0.000 -0.886) 1.089 9.566 ( 0.634 0.000 0.886) 1.089 9.722 ( -0.402 0.000 -1.503) 1.556 9.722 ( -0.402 0.000 1.503) 1.556 10.010 ( -2.600 0.000 -1.968) 3.260 10.010 ( -2.600 0.000 1.968) 3.260 10.129 ( 0.889 0.000 -1.152) 1.455 10.129 ( 0.889 0.000 1.152) 1.455 11.249 ( 5.647 0.000 -5.546) 7.915 11.249 ( 5.647 0.000 5.546) 7.915 11.823 ( 13.153 0.000 -8.095) 15.445 11.823 ( 13.153 0.000 8.095) 15.445 12.033 ( -0.122 0.000 -2.343) 2.346 12.033 ( -0.122 0.000 2.343) 2.346 12.038 ( -10.614 0.000 -2.154) 10.830 12.038 ( -10.614 0.000 2.154) 10.830 12.068 ( 0.113 0.000 -2.345) 2.348 12.068 ( 0.113 0.000 2.345) 2.348 12.935 ( 8.642 0.000 -4.471) 9.730 12.935 ( 8.642 0.000 4.471) 9.730 13.146 ( -6.747 0.000 -3.720) 7.705 13.146 ( -6.747 0.000 3.720) 7.705 13.836 ( -2.129 0.000 -2.000) 2.921 13.836 ( -2.129 0.000 2.000) 2.921 14.464 ( -1.546 0.000 -4.436) 4.697 14.464 ( -1.546 0.000 4.436) 4.697 15.353 ( 0.343 0.000 -2.603) 2.625 15.353 ( 0.343 0.000 2.603) 2.625 15.368 ( -0.338 0.000 -2.594) 2.616 15.368 ( -0.338 0.000 2.594) 2.616 17.664 ( 3.777 0.000 -10.544) 11.200 17.664 ( 3.777 0.000 10.544) 11.200 19.101 ( -0.789 0.000 -0.499) 0.933 19.101 ( -0.789 0.000 0.499) 0.933 19.672 ( -10.427 0.000 -6.194) 12.128 19.672 ( -10.427 0.000 6.194) 12.128 20.037 ( -6.701 0.000 -5.812) 8.870 20.037 ( -6.701 0.000 5.812) 8.870 23.574 ( 4.935 0.000 -6.155) 7.889 23.574 ( 4.935 0.000 6.155) 7.889 24.701 ( 4.145 0.000 -2.983) 5.106 24.701 ( 4.145 0.000 2.983) 5.106 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.000 -2.313 -13.229) 13.430 1.101 ( 0.000 -2.313 13.229) 13.430 1.529 ( 0.000 14.163 -15.417) 20.935 1.529 ( 0.000 14.163 15.417) 20.935 1.925 ( 0.000 10.400 -6.113) 12.064 1.925 ( 0.000 10.400 6.113) 12.064 2.369 ( 0.000 17.680 -9.770) 20.200 2.369 ( 0.000 17.680 9.770) 20.200 2.759 ( 0.000 14.101 -4.476) 14.795 2.759 ( 0.000 14.101 4.476) 14.795 2.925 ( 0.000 3.816 -0.135) 3.818 2.925 ( 0.000 3.816 0.135) 3.818 3.057 ( 0.000 12.965 -19.313) 23.261 3.057 ( 0.000 12.965 19.313) 23.261 3.155 ( 0.000 10.642 -4.969) 11.745 3.155 ( 0.000 10.642 4.969) 11.745 3.406 ( 0.000 10.500 -3.984) 11.230 3.406 ( 0.000 10.500 3.984) 11.230 3.665 ( 0.000 13.087 -0.286) 13.090 3.665 ( 0.000 13.087 0.286) 13.090 4.075 ( 0.000 32.931 -6.036) 33.480 4.075 ( 0.000 32.931 6.036) 33.480 4.195 ( 0.000 35.537 -2.328) 35.614 4.195 ( 0.000 35.537 2.328) 35.614 4.525 ( 0.000 7.676 -7.870) 10.993 4.525 ( 0.000 7.676 7.870) 10.993 4.618 ( 0.000 5.139 -6.681) 8.429 4.618 ( 0.000 5.139 6.681) 8.429 5.176 ( 0.000 1.698 -0.484) 1.765 5.176 ( 0.000 1.698 0.484) 1.765 5.708 ( 0.000 -2.572 -4.921) 5.553 5.708 ( 0.000 -2.572 4.921) 5.553 6.070 ( 0.000 -0.926 -5.558) 5.635 6.070 ( 0.000 -0.926 5.558) 5.635 6.301 ( 0.000 -1.517 -0.380) 1.564 6.301 ( 0.000 -1.517 0.380) 1.564 6.520 ( 0.000 -4.829 -0.296) 4.838 6.520 ( 0.000 -4.829 0.296) 4.838 7.011 ( 0.000 -8.287 -8.130) 11.609 7.011 ( 0.000 -8.287 8.130) 11.609 7.373 ( 0.000 -0.881 -8.500) 8.546 7.373 ( 0.000 -0.881 8.500) 8.546 7.923 ( 0.000 13.490 -2.790) 13.775 7.923 ( 0.000 13.490 2.790) 13.775 7.930 ( 0.000 9.839 -1.614) 9.971 7.930 ( 0.000 9.839 1.614) 9.971 8.174 ( 0.000 12.976 -0.726) 12.997 8.174 ( 0.000 12.976 0.726) 12.997 8.242 ( 0.000 25.310 -6.859) 26.223 8.242 ( 0.000 25.310 6.859) 26.223 8.986 ( 0.000 -4.603 -2.780) 5.377 8.986 ( 0.000 -4.603 2.780) 5.377 9.524 ( 0.000 -0.621 -0.087) 0.627 9.524 ( 0.000 -0.621 0.087) 0.627 9.680 ( 0.000 -0.021 -2.015) 2.015 9.680 ( 0.000 -0.021 2.015) 2.015 9.876 ( 0.000 19.970 -14.478) 24.666 9.876 ( 0.000 19.970 14.478) 24.666 10.163 ( 0.000 5.030 -4.719) 6.897 10.163 ( 0.000 5.030 4.719) 6.897 10.196 ( 0.000 3.375 -7.277) 8.022 10.196 ( 0.000 3.375 7.277) 8.022 11.041 ( 0.000 12.744 -26.342) 29.262 11.041 ( 0.000 12.744 26.342) 29.262 11.383 ( 0.000 -7.727 -24.973) 26.141 11.383 ( 0.000 -7.727 24.973) 26.141 11.759 ( 0.000 -21.992 -7.436) 23.216 11.759 ( 0.000 -21.992 7.436) 23.216 11.823 ( 0.000 -16.390 -11.544) 20.047 11.823 ( 0.000 -16.390 11.544) 20.047 12.325 ( 0.000 0.129 -1.867) 1.872 12.325 ( 0.000 0.129 1.867) 1.872 12.825 ( 0.000 10.020 -2.149) 10.248 12.825 ( 0.000 10.020 2.149) 10.248 13.587 ( 0.000 25.469 -9.250) 27.097 13.587 ( 0.000 25.469 9.250) 27.097 13.977 ( 0.000 5.970 -5.291) 7.977 13.977 ( 0.000 5.970 5.291) 7.977 14.551 ( 0.000 0.067 -6.848) 6.848 14.551 ( 0.000 0.067 6.848) 6.848 15.293 ( 0.000 -4.444 -3.799) 5.846 15.293 ( 0.000 -4.444 3.799) 5.846 15.337 ( 0.000 -3.765 -3.560) 5.181 15.337 ( 0.000 -3.765 3.560) 5.181 17.554 ( 0.000 3.509 -29.094) 29.304 17.554 ( 0.000 3.509 29.094) 29.304 19.153 ( 0.000 5.209 -4.766) 7.060 19.153 ( 0.000 5.209 4.766) 7.060 19.967 ( 0.000 3.290 -5.477) 6.389 19.967 ( 0.000 3.290 5.477) 6.389 20.589 ( 0.000 -20.230 -4.575) 20.741 20.589 ( 0.000 -20.230 4.575) 20.741 23.105 ( 0.000 -5.236 -9.432) 10.788 23.105 ( 0.000 -5.236 9.432) 10.788 24.347 ( 0.000 -14.386 -9.039) 16.990 24.347 ( 0.000 -14.386 9.039) 16.990 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 3.070 6.839 -13.793) 15.698 1.117 ( 3.070 6.839 13.793) 15.698 1.607 ( 7.663 9.979 -21.796) 25.167 1.607 ( 7.663 9.979 21.796) 25.167 1.932 ( -3.099 3.215 -6.966) 8.274 1.932 ( -3.099 3.215 6.966) 8.274 2.363 ( 0.896 16.795 -5.700) 17.759 2.363 ( 0.896 16.795 5.700) 17.759 2.631 ( -9.464 13.801 -5.841) 17.724 2.631 ( -9.464 13.801 5.841) 17.724 2.916 ( -1.483 7.705 -1.773) 8.044 2.916 ( -1.483 7.705 1.773) 8.044 3.034 ( 3.979 15.316 -20.055) 25.546 3.034 ( 3.979 15.316 20.055) 25.546 3.329 ( 10.855 6.331 -0.799) 12.592 3.329 ( 10.855 6.331 0.799) 12.592 3.499 ( 5.139 7.686 -1.889) 9.437 3.499 ( 5.139 7.686 1.889) 9.437 3.682 ( 3.363 12.616 -1.657) 13.161 3.682 ( 3.363 12.616 1.657) 13.161 3.976 ( -7.949 30.568 -5.867) 32.125 3.976 ( -7.949 30.568 5.867) 32.125 4.183 ( -0.384 40.162 -0.897) 40.174 4.183 ( -0.384 40.162 0.897) 40.174 4.388 ( -11.091 7.816 -7.916) 15.709 4.388 ( -11.091 7.816 7.916) 15.709 4.678 ( 1.580 11.166 -9.533) 14.767 4.678 ( 1.580 11.166 9.533) 14.767 5.186 ( 0.668 -0.079 -8.330) 8.357 5.186 ( 0.668 -0.079 8.330) 8.357 5.625 ( -5.790 -0.509 -5.858) 8.252 5.625 ( -5.790 -0.509 5.858) 8.252 6.156 ( 5.786 -3.102 -6.995) 9.593 6.156 ( 5.786 -3.102 6.995) 9.593 6.353 ( 5.467 -2.300 -0.849) 5.991 6.353 ( 5.467 -2.300 0.849) 5.991 6.562 ( 3.691 -3.779 -1.587) 5.515 6.562 ( 3.691 -3.779 1.587) 5.515 7.030 ( 1.969 -8.271 -6.171) 10.505 7.030 ( 1.969 -8.271 6.171) 10.505 7.327 ( -4.457 -3.953 -6.629) 8.913 7.327 ( -4.457 -3.953 6.629) 8.913 7.911 ( -1.107 14.739 -3.608) 15.215 7.911 ( -1.107 14.739 3.608) 15.215 7.966 ( 2.854 9.867 -1.583) 10.393 7.966 ( 2.854 9.867 1.583) 10.393 8.164 ( -0.749 10.164 -2.472) 10.487 8.164 ( -0.749 10.164 2.472) 10.487 8.300 ( 7.347 28.830 -9.552) 31.247 8.300 ( 7.347 28.830 9.552) 31.247 8.977 ( -0.877 -4.503 -2.832) 5.392 8.977 ( -0.877 -4.503 2.832) 5.392 9.444 ( -12.070 2.773 -1.721) 12.503 9.444 ( -12.070 2.773 1.721) 12.503 9.628 ( -4.959 5.665 -7.383) 10.545 9.628 ( -4.959 5.665 7.383) 10.545 9.798 ( -4.418 13.453 -5.953) 15.361 9.798 ( -4.418 13.453 5.953) 15.361 10.082 ( -6.038 -2.618 -1.226) 6.694 10.082 ( -6.038 -2.618 1.226) 6.694 10.206 ( 1.310 11.324 -5.783) 12.783 10.206 ( 1.310 11.324 5.783) 12.783 11.130 ( 7.132 4.185 -13.976) 16.239 11.130 ( 7.132 4.185 13.976) 16.239 11.498 ( 10.364 -9.767 -11.935) 18.581 11.498 ( 10.364 -9.767 11.935) 18.581 11.760 ( 0.007 -22.610 -7.035) 23.679 11.760 ( 0.007 -22.610 7.035) 23.679 11.854 ( 3.395 -11.055 -9.153) 14.749 11.854 ( 3.395 -11.055 9.153) 14.749 12.238 ( -8.030 0.899 -0.440) 8.093 12.238 ( -8.030 0.899 0.440) 8.093 12.917 ( 8.918 10.434 -1.275) 13.785 12.917 ( 8.918 10.434 1.275) 13.785 13.550 ( -4.437 24.557 -7.674) 26.108 13.550 ( -4.437 24.557 7.674) 26.108 13.945 ( -3.194 5.504 -4.419) 7.747 13.945 ( -3.194 5.504 4.419) 7.747 14.520 ( -2.610 0.726 -7.480) 7.956 14.520 ( -2.610 0.726 7.480) 7.956 15.293 ( -0.038 -4.810 -2.964) 5.650 15.293 ( -0.038 -4.810 2.964) 5.650 15.338 ( 0.145 -3.300 -2.877) 4.381 15.338 ( 0.145 -3.300 2.877) 4.381 17.603 ( 4.779 3.084 -25.237) 25.870 17.603 ( 4.779 3.084 25.237) 25.870 19.152 ( -0.591 3.775 -2.332) 4.476 19.152 ( -0.591 3.775 2.332) 4.476 19.890 ( -9.801 0.778 -8.441) 12.958 19.890 ( -9.801 0.778 8.441) 12.958 20.280 ( -22.469 -9.373 -12.389) 27.317 20.280 ( -22.469 -9.373 12.389) 27.317 23.298 ( 14.678 -7.719 -12.496) 20.765 23.298 ( 14.678 -7.719 12.496) 20.765 24.410 ( 6.084 -15.884 -7.279) 18.501 24.410 ( 6.084 -15.884 7.279) 18.501 ======================= Grid point 144 (48/63) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 6.639 13.451 -5.391) 15.939 1.223 ( 6.639 13.451 5.391) 15.939 1.673 ( -4.881 3.574 -5.997) 8.518 1.673 ( -4.881 3.574 5.997) 8.518 1.915 ( 8.520 10.844 -11.630) 18.040 1.915 ( 8.520 10.844 11.630) 18.040 2.229 ( -13.707 4.732 -8.784) 16.954 2.229 ( -13.707 4.732 8.784) 16.954 2.652 ( 7.898 11.695 -3.560) 14.555 2.652 ( 7.898 11.695 3.560) 14.555 2.861 ( -4.141 6.171 -2.827) 7.951 2.861 ( -4.141 6.171 2.827) 7.951 3.204 ( 12.381 18.128 -17.774) 28.246 3.204 ( 12.381 18.128 17.774) 28.246 3.400 ( -4.334 11.640 -3.302) 12.852 3.400 ( -4.334 11.640 3.302) 12.852 3.564 ( 3.790 7.215 -0.798) 8.189 3.564 ( 3.790 7.215 0.798) 8.189 3.718 ( -2.163 8.105 -3.322) 9.023 3.718 ( -2.163 8.105 3.322) 9.023 3.860 ( -3.830 30.644 -0.273) 30.884 3.860 ( -3.830 30.644 0.273) 30.884 4.164 ( -3.661 21.100 -4.959) 21.982 4.164 ( -3.661 21.100 4.959) 21.982 4.320 ( 8.301 27.591 -4.226) 29.121 4.320 ( 8.301 27.591 4.226) 29.121 4.600 ( -9.172 19.038 -6.378) 22.073 4.600 ( -9.172 19.038 6.378) 22.073 5.185 ( -0.470 -1.652 -4.975) 5.263 5.185 ( -0.470 -1.652 4.975) 5.263 5.571 ( -0.502 -0.753 -2.875) 3.014 5.571 ( -0.502 -0.753 2.875) 3.014 6.216 ( 1.232 -3.379 -3.555) 5.057 6.216 ( 1.232 -3.379 3.555) 5.057 6.419 ( 0.565 -4.399 -2.202) 4.952 6.419 ( 0.565 -4.399 2.202) 4.952 6.688 ( 9.212 0.607 -2.448) 9.551 6.688 ( 9.212 0.607 2.448) 9.551 7.009 ( -5.387 -4.247 -2.821) 7.417 7.009 ( -5.387 -4.247 2.821) 7.417 7.277 ( 0.054 -14.573 -2.027) 14.713 7.277 ( 0.054 -14.573 2.027) 14.713 7.890 ( -0.843 16.243 -1.677) 16.351 7.890 ( -0.843 16.243 1.677) 16.351 8.010 ( 1.714 12.028 -2.301) 12.365 8.010 ( 1.714 12.028 2.301) 12.365 8.144 ( -1.172 5.939 -0.479) 6.072 8.144 ( -1.172 5.939 0.479) 6.072 8.543 ( 18.085 33.735 -12.213) 40.178 8.543 ( 18.085 33.735 12.213) 40.178 8.928 ( -8.404 1.069 -6.898) 10.925 8.928 ( -8.404 1.069 6.898) 10.925 9.107 ( -15.468 6.314 -3.323) 17.034 9.107 ( -15.468 6.314 3.323) 17.034 9.579 ( -0.881 3.352 -2.267) 4.141 9.579 ( -0.881 3.352 2.267) 4.141 9.763 ( -0.511 5.142 -0.857) 5.238 9.763 ( -0.511 5.142 0.857) 5.238 10.002 ( -2.392 -2.378 -0.434) 3.401 10.002 ( -2.392 -2.378 0.434) 3.401 10.228 ( 0.782 11.882 -1.291) 11.978 10.228 ( 0.782 11.882 1.291) 11.978 11.232 ( 3.122 -4.273 -2.864) 6.018 11.232 ( 3.122 -4.273 2.864) 6.018 11.675 ( 7.418 -17.585 -4.441) 19.595 11.675 ( 7.418 -17.585 4.441) 19.595 11.752 ( -1.396 -21.859 -8.334) 23.435 11.752 ( -1.396 -21.859 8.334) 23.435 11.940 ( 5.687 -1.958 -5.155) 7.921 11.940 ( 5.687 -1.958 5.155) 7.921 12.080 ( -8.266 2.000 -2.733) 8.933 12.080 ( -8.266 2.000 2.733) 8.933 13.112 ( 10.940 13.256 -3.905) 17.626 13.112 ( 10.940 13.256 3.905) 17.626 13.414 ( -9.440 20.058 -4.561) 22.633 13.414 ( -9.440 20.058 4.561) 22.633 13.889 ( -1.934 6.362 -2.173) 6.996 13.889 ( -1.934 6.362 2.173) 6.996 14.484 ( -1.050 1.919 -3.728) 4.323 14.484 ( -1.050 1.919 3.728) 4.323 15.291 ( -0.098 -5.615 -1.007) 5.705 15.291 ( -0.098 -5.615 1.007) 5.705 15.341 ( 0.133 -2.423 -1.016) 2.631 15.341 ( 0.133 -2.423 1.016) 2.631 17.692 ( 3.540 2.436 -11.226) 12.020 17.692 ( 3.540 2.436 11.226) 12.020 19.113 ( -2.972 -0.953 -2.803) 4.195 19.113 ( -2.972 -0.953 2.803) 4.195 19.659 ( -8.879 0.364 -4.660) 10.034 19.659 ( -8.879 0.364 4.660) 10.034 20.053 ( -4.305 2.037 -3.911) 6.163 20.053 ( -4.305 2.037 3.911) 6.163 23.487 ( 5.115 -8.262 -5.786) 11.310 23.487 ( 5.115 -8.262 5.786) 11.310 24.514 ( 3.711 -17.713 -2.499) 18.270 24.514 ( 3.711 -17.713 2.499) 18.270 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.000 17.005 -7.343) 18.523 1.262 ( 0.000 17.005 7.343) 18.523 1.908 ( 0.000 21.888 -16.597) 27.469 1.908 ( 0.000 21.888 16.597) 27.469 2.075 ( 0.000 8.029 -9.547) 12.474 2.075 ( 0.000 8.029 9.547) 12.474 2.734 ( 0.000 14.938 -0.974) 14.969 2.734 ( 0.000 14.938 0.974) 14.969 2.937 ( 0.000 3.367 -1.394) 3.644 2.937 ( 0.000 3.367 1.394) 3.644 3.089 ( 0.000 12.908 -7.143) 14.753 3.089 ( 0.000 12.908 7.143) 14.753 3.345 ( 0.000 10.583 -9.519) 14.234 3.345 ( 0.000 10.583 9.519) 14.234 3.367 ( 0.000 14.785 -15.765) 21.613 3.367 ( 0.000 14.785 15.765) 21.613 3.623 ( 0.000 13.685 -1.357) 13.752 3.623 ( 0.000 13.685 1.357) 13.752 3.985 ( 0.000 18.011 -0.100) 18.011 3.985 ( 0.000 18.011 0.100) 18.011 4.387 ( 0.000 3.997 -8.460) 9.357 4.387 ( 0.000 3.997 8.460) 9.357 4.638 ( 0.000 5.660 -4.614) 7.303 4.638 ( 0.000 5.660 4.614) 7.303 4.861 ( 0.000 19.230 -2.254) 19.362 4.861 ( 0.000 19.230 2.254) 19.362 5.253 ( 0.000 40.909 -0.525) 40.912 5.253 ( 0.000 40.909 0.525) 40.912 5.397 ( 0.000 23.929 -2.474) 24.056 5.397 ( 0.000 23.929 2.474) 24.056 5.714 ( 0.000 7.127 -4.606) 8.486 5.714 ( 0.000 7.127 4.606) 8.486 6.097 ( 0.000 7.535 -2.642) 7.984 6.097 ( 0.000 7.535 2.642) 7.984 6.282 ( 0.000 1.400 -1.073) 1.764 6.282 ( 0.000 1.400 1.073) 1.764 6.475 ( 0.000 0.603 -0.473) 0.766 6.475 ( 0.000 0.603 0.473) 0.766 6.976 ( 0.000 4.386 -3.117) 5.381 6.976 ( 0.000 4.386 3.117) 5.381 7.374 ( 0.000 0.870 -8.686) 8.730 7.374 ( 0.000 0.870 8.686) 8.730 7.921 ( 0.000 -4.753 -3.768) 6.065 7.921 ( 0.000 -4.753 3.768) 6.065 8.125 ( 0.000 10.398 -0.705) 10.422 8.125 ( 0.000 10.398 0.705) 10.422 8.414 ( 0.000 2.927 -0.070) 2.928 8.414 ( 0.000 2.927 0.070) 2.928 8.838 ( 0.000 23.654 -4.656) 24.108 8.838 ( 0.000 23.654 4.656) 24.108 8.986 ( 0.000 11.546 -0.174) 11.547 8.986 ( 0.000 11.546 0.174) 11.547 9.487 ( 0.000 -2.453 -2.888) 3.789 9.487 ( 0.000 -2.453 2.888) 3.789 9.690 ( 0.000 0.036 -5.903) 5.903 9.690 ( 0.000 0.036 5.903) 5.903 10.111 ( 0.000 0.394 -2.582) 2.612 10.111 ( 0.000 0.394 2.582) 2.612 10.171 ( 0.000 4.094 -12.355) 13.016 10.171 ( 0.000 4.094 12.355) 13.016 10.466 ( 0.000 15.185 -20.181) 25.255 10.466 ( 0.000 15.185 20.181) 25.255 11.024 ( 0.000 -18.523 -16.162) 24.583 11.024 ( 0.000 -18.523 16.162) 24.583 11.337 ( 0.000 -0.370 -14.863) 14.868 11.337 ( 0.000 -0.370 14.863) 14.868 11.357 ( 0.000 -13.021 -6.418) 14.517 11.357 ( 0.000 -13.021 6.418) 14.517 11.707 ( 0.000 9.355 -30.515) 31.917 11.707 ( 0.000 9.355 30.515) 31.917 12.331 ( 0.000 0.699 -1.983) 2.103 12.331 ( 0.000 0.699 1.983) 2.103 13.010 ( 0.000 8.932 -1.672) 9.087 13.010 ( 0.000 8.932 1.672) 9.087 14.053 ( 0.000 14.461 -8.980) 17.022 14.053 ( 0.000 14.461 8.980) 17.022 14.119 ( 0.000 11.397 -6.542) 13.141 14.119 ( 0.000 11.397 6.542) 13.141 14.545 ( 0.000 -1.896 -1.679) 2.533 14.545 ( 0.000 -1.896 1.679) 2.533 15.226 ( 0.000 -0.090 -3.041) 3.043 15.226 ( 0.000 -0.090 3.041) 3.043 15.265 ( 0.000 -1.877 -1.555) 2.437 15.265 ( 0.000 -1.877 1.555) 2.437 17.625 ( 0.000 2.989 -31.968) 32.108 17.625 ( 0.000 2.989 31.968) 32.108 19.211 ( 0.000 -2.862 -6.016) 6.662 19.211 ( 0.000 -2.862 6.016) 6.662 19.993 ( 0.000 -5.131 -10.878) 12.027 19.993 ( 0.000 -5.131 10.878) 12.027 20.249 ( 0.000 -4.771 -8.983) 10.171 20.249 ( 0.000 -4.771 8.983) 10.171 22.988 ( 0.000 -6.094 -6.557) 8.952 22.988 ( 0.000 -6.094 6.557) 8.952 23.983 ( 0.000 -21.319 -6.281) 22.225 23.983 ( 0.000 -21.319 6.281) 22.225 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.20 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 9.823 17.117 -5.080) 20.378 1.361 ( 9.823 17.117 5.080) 20.378 1.890 ( -1.740 16.439 -13.480) 21.330 1.890 ( -1.740 16.439 13.480) 21.330 2.061 ( -1.459 10.526 -6.779) 12.604 2.061 ( -1.459 10.526 6.779) 12.604 2.665 ( -8.226 12.653 -3.655) 15.528 2.665 ( -8.226 12.653 3.655) 15.528 2.858 ( -7.208 9.405 -3.005) 12.225 2.858 ( -7.208 9.405 3.005) 12.225 3.040 ( -0.934 6.127 -3.615) 7.175 3.040 ( -0.934 6.127 3.615) 7.175 3.415 ( 6.104 11.012 -9.364) 15.691 3.415 ( 6.104 11.012 9.364) 15.691 3.480 ( 9.973 17.605 -10.852) 22.960 3.480 ( 9.973 17.605 10.852) 22.960 3.690 ( 5.220 12.005 -1.896) 13.227 3.690 ( 5.220 12.005 1.896) 13.227 3.980 ( -0.572 16.377 -1.407) 16.447 3.980 ( -0.572 16.377 1.407) 16.447 4.349 ( -2.871 8.866 -5.838) 10.997 4.349 ( -2.871 8.866 5.838) 10.997 4.557 ( -8.489 10.114 -4.324) 13.894 4.557 ( -8.489 10.114 4.324) 13.894 4.921 ( 6.021 16.393 -4.727) 18.092 4.921 ( 6.021 16.393 4.727) 18.092 5.281 ( 2.708 36.526 -3.803) 36.823 5.281 ( 2.708 36.526 3.803) 36.823 5.361 ( -3.353 25.673 -3.498) 26.126 5.361 ( -3.353 25.673 3.498) 26.126 5.682 ( -3.670 12.002 -4.812) 13.441 5.682 ( -3.670 12.002 4.812) 13.441 6.121 ( 2.320 2.977 -2.538) 4.548 6.121 ( 2.320 2.977 2.538) 4.548 6.315 ( 2.968 0.760 -0.349) 3.084 6.315 ( 2.968 0.760 0.349) 3.084 6.545 ( 7.459 1.865 -2.391) 8.052 6.545 ( 7.459 1.865 2.391) 8.052 6.978 ( 0.339 3.096 -2.861) 4.229 6.978 ( 0.339 3.096 2.861) 4.229 7.295 ( -8.164 0.322 -7.112) 10.832 7.295 ( -8.164 0.322 7.112) 10.832 7.921 ( -0.194 -4.973 -4.430) 6.663 7.921 ( -0.194 -4.973 4.430) 6.663 8.171 ( 4.724 10.750 -1.945) 11.902 8.171 ( 4.724 10.750 1.945) 11.902 8.430 ( 1.131 5.260 -1.381) 5.555 8.430 ( 1.131 5.260 1.381) 5.555 8.867 ( 3.464 22.259 -4.964) 23.067 8.867 ( 3.464 22.259 4.964) 23.067 8.962 ( -2.026 9.016 -0.933) 9.288 8.962 ( -2.026 9.016 0.933) 9.288 9.439 ( -5.765 -1.148 -4.888) 7.645 9.439 ( -5.765 -1.148 4.888) 7.645 9.684 ( -0.194 0.373 -7.762) 7.773 9.684 ( -0.194 0.373 7.762) 7.773 10.014 ( -6.847 -0.678 -5.042) 8.530 10.014 ( -6.847 -0.678 5.042) 8.530 10.125 ( -5.916 10.656 -4.237) 12.903 10.125 ( -5.916 10.656 4.237) 12.903 10.535 ( 5.637 17.244 -14.881) 23.465 10.535 ( 5.637 17.244 14.881) 23.465 11.000 ( -2.294 -17.692 -10.974) 20.945 11.000 ( -2.294 -17.692 10.974) 20.945 11.277 ( -4.306 -14.752 -1.966) 15.493 11.277 ( -4.306 -14.752 1.966) 15.493 11.401 ( 4.874 -4.175 -11.889) 13.511 11.401 ( 4.874 -4.175 11.889) 13.511 11.821 ( 9.108 6.599 -22.125) 24.820 11.821 ( 9.108 6.599 22.125) 24.820 12.262 ( -6.473 1.710 -2.582) 7.176 12.262 ( -6.473 1.710 2.582) 7.176 13.110 ( 10.297 9.206 -2.821) 14.097 13.110 ( 10.297 9.206 2.821) 14.097 13.964 ( -9.921 11.659 -6.804) 16.753 13.964 ( -9.921 11.659 6.804) 16.753 14.120 ( 0.152 13.905 -5.377) 14.909 14.120 ( 0.152 13.905 5.377) 14.909 14.529 ( -1.105 -1.075 -3.422) 3.753 14.529 ( -1.105 -1.075 3.422) 3.753 15.213 ( -1.342 -1.047 -1.556) 2.306 15.213 ( -1.342 -1.047 1.556) 2.306 15.278 ( 1.353 -1.159 -0.737) 1.927 15.278 ( 1.353 -1.159 0.737) 1.927 17.664 ( 3.840 2.447 -28.017) 28.384 17.664 ( 3.840 2.447 28.017) 28.384 19.144 ( -7.708 -7.809 -9.519) 14.526 19.144 ( -7.708 -7.809 9.519) 14.526 19.874 ( -9.982 -1.013 -9.771) 14.004 19.874 ( -9.982 -1.013 9.771) 14.004 20.193 ( -4.126 2.862 -5.500) 7.447 20.193 ( -4.126 2.862 5.500) 7.447 23.121 ( 11.159 -9.423 -9.146) 17.232 23.121 ( 11.159 -9.423 9.146) 17.232 24.015 ( 3.133 -22.774 -6.087) 23.780 24.015 ( 3.133 -22.774 6.087) 23.780 ======================= Grid point 154 (51/63) ======================= q-point: ( 0.40 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 9.759 19.037 -0.839) 21.409 1.560 ( 9.759 19.037 0.839) 21.409 1.814 ( -6.355 10.207 -5.349) 13.160 1.814 ( -6.355 10.207 5.349) 13.160 2.105 ( 7.840 9.740 -12.194) 17.465 2.105 ( 7.840 9.740 12.194) 17.465 2.403 ( -15.959 11.601 -9.842) 22.048 2.403 ( -15.959 11.601 9.842) 22.048 2.865 ( 4.991 10.125 -1.896) 11.446 2.865 ( 4.991 10.125 1.896) 11.446 2.983 ( -5.076 6.506 -2.896) 8.745 2.983 ( -5.076 6.506 2.896) 8.745 3.557 ( 7.341 9.695 -4.865) 13.098 3.557 ( 7.341 9.695 4.865) 13.098 3.629 ( 3.470 13.020 -6.325) 14.885 3.629 ( 3.470 13.020 6.325) 14.885 3.766 ( 3.794 15.184 -1.816) 15.756 3.766 ( 3.794 15.184 1.816) 15.756 3.958 ( -1.872 15.395 -4.271) 16.086 3.958 ( -1.872 15.395 4.271) 16.086 4.317 ( -0.578 15.278 -4.171) 15.848 4.317 ( -0.578 15.278 4.171) 15.848 4.386 ( -7.425 13.254 -2.978) 15.482 4.386 ( -7.425 13.254 2.978) 15.482 5.058 ( 7.930 11.155 -4.575) 14.430 5.058 ( 7.930 11.155 4.575) 14.430 5.263 ( -6.130 24.632 -4.127) 25.716 5.263 ( -6.130 24.632 4.127) 25.716 5.334 ( 1.217 41.674 -1.853) 41.733 5.334 ( 1.217 41.674 1.853) 41.733 5.618 ( -2.043 14.235 -2.742) 14.640 5.618 ( -2.043 14.235 2.742) 14.640 6.155 ( 0.935 -0.402 -1.366) 1.704 6.155 ( 0.935 -0.402 1.366) 1.704 6.355 ( 0.999 0.172 -0.431) 1.102 6.355 ( 0.999 0.172 0.431) 1.102 6.736 ( 12.174 3.965 -3.506) 13.274 6.736 ( 12.174 3.965 3.506) 13.274 6.964 ( -4.301 0.991 -2.790) 5.222 6.964 ( -4.301 0.991 2.790) 5.222 7.127 ( -6.916 -1.981 -3.121) 7.842 7.127 ( -6.916 -1.981 3.121) 7.842 7.915 ( -0.298 -5.106 -1.988) 5.488 7.915 ( -0.298 -5.106 1.988) 5.488 8.269 ( 4.729 12.492 -3.326) 13.765 8.269 ( 4.729 12.492 3.326) 13.765 8.424 ( -1.851 9.196 -2.729) 9.770 8.424 ( -1.851 9.196 2.729) 9.770 8.933 ( -0.564 8.257 -0.859) 8.321 8.933 ( -0.564 8.257 0.859) 8.321 8.981 ( 8.000 10.247 -3.867) 13.563 8.981 ( 8.000 10.247 3.867) 13.563 9.279 ( -10.010 6.147 -3.205) 12.176 9.279 ( -10.010 6.147 3.205) 12.176 9.690 ( 0.577 0.614 -5.526) 5.590 9.690 ( 0.577 0.614 5.526) 5.590 9.920 ( -2.832 6.969 -3.840) 8.446 9.920 ( -2.832 6.969 3.840) 8.446 10.015 ( -4.166 9.575 -1.771) 10.592 10.015 ( -4.166 9.575 1.771) 10.592 10.615 ( 2.402 23.455 -5.568) 24.226 10.615 ( 2.402 23.455 5.568) 24.226 10.962 ( -1.352 -20.484 -3.327) 20.797 10.962 ( -1.352 -20.484 3.327) 20.797 11.228 ( -1.147 -21.860 -1.053) 21.916 11.228 ( -1.147 -21.860 1.053) 21.916 11.491 ( 3.558 -4.860 -4.892) 7.759 11.491 ( 3.558 -4.860 4.892) 7.759 11.961 ( 5.199 3.082 -10.871) 12.438 11.961 ( 5.199 3.082 10.871) 12.438 12.142 ( -5.159 4.098 -4.058) 7.738 12.142 ( -5.159 4.098 4.058) 7.738 13.355 ( 15.111 10.909 -5.673) 19.482 13.355 ( 15.111 10.909 5.673) 19.482 13.713 ( -15.709 9.303 -6.026) 19.226 13.713 ( -15.709 9.303 6.026) 19.226 14.123 ( 0.121 14.955 -2.021) 15.092 14.123 ( 0.121 14.955 2.021) 15.092 14.519 ( -0.119 0.351 -1.962) 1.997 14.519 ( -0.119 0.351 1.962) 1.997 15.189 ( -0.913 -2.472 -0.430) 2.670 15.189 ( -0.913 -2.472 0.430) 2.670 15.301 ( 0.778 -0.284 -0.179) 0.847 15.301 ( 0.778 -0.284 0.179) 0.847 17.737 ( 2.969 1.532 -12.727) 13.158 17.737 ( 2.969 1.532 12.727) 13.158 18.975 ( -7.346 -13.087 -8.713) 17.353 18.975 ( -7.346 -13.087 8.713) 17.353 19.752 ( -2.738 8.740 -1.996) 9.374 19.752 ( -2.738 8.740 1.996) 9.374 20.133 ( -1.953 6.147 -1.713) 6.673 20.133 ( -1.953 6.147 1.713) 6.673 23.281 ( 4.852 -11.772 -4.749) 13.590 23.281 ( 4.852 -11.772 4.749) 13.590 24.072 ( 2.209 -25.229 -2.715) 25.470 24.072 ( 2.209 -25.229 2.715) 25.470 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.000 21.813 -0.532) 21.820 1.667 ( 0.000 21.813 0.532) 21.820 2.203 ( 0.000 8.322 -8.560) 11.938 2.203 ( 0.000 8.322 8.560) 11.938 2.393 ( 0.000 22.552 -12.428) 25.750 2.393 ( 0.000 22.552 12.428) 25.750 2.972 ( 0.000 9.906 -2.098) 10.125 2.972 ( 0.000 9.906 2.098) 10.125 3.013 ( 0.000 4.500 -2.649) 5.221 3.013 ( 0.000 4.500 2.649) 5.221 3.220 ( 0.000 1.910 -7.262) 7.509 3.220 ( 0.000 1.910 7.262) 7.509 3.467 ( 0.000 2.645 -3.867) 4.685 3.467 ( 0.000 2.645 3.867) 4.685 3.698 ( 0.000 15.980 -0.485) 15.987 3.698 ( 0.000 15.980 0.485) 15.987 3.944 ( 0.000 14.147 -5.847) 15.307 3.944 ( 0.000 14.147 5.847) 15.307 4.340 ( 0.000 17.478 -8.564) 19.464 4.340 ( 0.000 17.478 8.564) 19.464 4.469 ( 0.000 6.623 -12.111) 13.804 4.469 ( 0.000 6.623 12.111) 13.804 4.751 ( 0.000 5.033 -0.185) 5.037 4.751 ( 0.000 5.033 0.185) 5.037 5.095 ( 0.000 11.517 -6.260) 13.109 5.095 ( 0.000 11.517 6.260) 13.109 5.535 ( 0.000 -1.480 -4.982) 5.197 5.535 ( 0.000 -1.480 4.982) 5.197 5.718 ( 0.000 6.995 -3.833) 7.976 5.718 ( 0.000 6.995 3.833) 7.976 6.059 ( 0.000 11.822 -0.072) 11.822 6.059 ( 0.000 11.822 0.072) 11.822 6.467 ( 0.000 12.311 -3.151) 12.708 6.467 ( 0.000 12.311 3.151) 12.708 6.586 ( 0.000 35.611 -2.006) 35.668 6.586 ( 0.000 35.611 2.006) 35.668 6.610 ( 0.000 18.823 -1.024) 18.851 6.610 ( 0.000 18.823 1.024) 18.851 7.168 ( 0.000 14.726 -2.288) 14.903 7.168 ( 0.000 14.726 2.288) 14.903 7.411 ( 0.000 3.413 -7.008) 7.795 7.411 ( 0.000 3.413 7.008) 7.795 7.865 ( 0.000 1.074 -2.131) 2.387 7.865 ( 0.000 1.074 2.131) 2.387 8.319 ( 0.000 9.341 -0.212) 9.344 8.319 ( 0.000 9.341 0.212) 9.344 8.438 ( 0.000 1.952 -0.571) 2.034 8.438 ( 0.000 1.952 0.571) 2.034 8.910 ( 0.000 -2.791 -5.000) 5.726 8.910 ( 0.000 -2.791 5.000) 5.726 9.247 ( 0.000 -7.185 -8.357) 11.020 9.247 ( 0.000 -7.185 8.357) 11.020 9.522 ( 0.000 9.089 -4.630) 10.201 9.522 ( 0.000 9.089 4.630) 10.201 9.647 ( 0.000 -2.639 -7.317) 7.778 9.647 ( 0.000 -2.639 7.317) 7.778 10.109 ( 0.000 -0.608 -6.079) 6.110 10.109 ( 0.000 -0.608 6.079) 6.110 10.228 ( 0.000 1.418 -10.669) 10.763 10.228 ( 0.000 1.418 10.669) 10.763 10.510 ( 0.000 -9.616 -5.438) 11.047 10.510 ( 0.000 -9.616 5.438) 11.047 10.901 ( 0.000 6.304 -1.587) 6.500 10.901 ( 0.000 6.304 1.587) 6.500 11.226 ( 0.000 -5.572 -10.115) 11.548 11.226 ( 0.000 -5.572 10.115) 11.548 11.257 ( 0.000 3.831 -16.392) 16.834 11.257 ( 0.000 3.831 16.392) 16.834 12.001 ( 0.000 14.272 -33.288) 36.219 12.001 ( 0.000 14.272 33.288) 36.219 12.354 ( 0.000 1.613 -2.928) 3.343 12.354 ( 0.000 1.613 2.928) 3.343 13.200 ( 0.000 10.805 -0.326) 10.810 13.200 ( 0.000 10.805 0.326) 10.810 14.190 ( 0.000 5.773 -1.879) 6.071 14.190 ( 0.000 5.773 1.879) 6.071 14.298 ( 0.000 0.752 -4.194) 4.261 14.298 ( 0.000 0.752 4.194) 4.261 14.424 ( 0.000 -10.266 -2.215) 10.502 14.424 ( 0.000 -10.266 2.215) 10.502 15.326 ( 0.000 9.170 -2.972) 9.640 15.326 ( 0.000 9.170 2.972) 9.640 15.364 ( 0.000 13.186 -4.004) 13.780 15.364 ( 0.000 13.186 4.004) 13.780 17.655 ( 0.000 -0.049 -33.006) 33.006 17.655 ( 0.000 -0.049 33.006) 33.006 18.947 ( 0.000 -21.693 -19.145) 28.933 18.947 ( 0.000 -21.693 19.145) 28.933 19.926 ( 0.000 2.033 -9.607) 9.820 19.926 ( 0.000 2.033 9.607) 9.820 20.342 ( 0.000 7.735 -1.085) 7.810 20.342 ( 0.000 7.735 1.085) 7.810 22.875 ( 0.000 -5.160 -3.513) 6.243 22.875 ( 0.000 -5.160 3.513) 6.243 23.543 ( 0.000 -22.365 -4.424) 22.798 23.543 ( 0.000 -22.365 4.424) 22.798 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.20 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 7.455 19.714 -0.817) 21.092 1.739 ( 7.455 19.714 0.817) 21.092 2.157 ( -4.299 10.752 -6.890) 13.475 2.157 ( -4.299 10.752 6.890) 13.475 2.371 ( -2.388 19.061 -11.241) 22.257 2.371 ( -2.388 19.061 11.241) 22.257 2.874 ( -11.500 8.567 -6.054) 15.566 2.874 ( -11.500 8.567 6.054) 15.566 3.013 ( -0.633 7.075 -3.364) 7.860 3.013 ( -0.633 7.075 3.364) 7.860 3.152 ( -1.635 4.752 -7.021) 8.634 3.152 ( -1.635 4.752 7.021) 8.634 3.506 ( 4.738 2.631 -4.180) 6.844 3.506 ( 4.738 2.631 4.180) 6.844 3.850 ( 9.156 13.611 -2.787) 16.639 3.850 ( 9.156 13.611 2.787) 16.639 3.945 ( 1.805 11.431 -3.164) 11.998 3.945 ( 1.805 11.431 3.164) 11.998 4.314 ( -1.623 17.166 -9.432) 19.653 4.314 ( -1.623 17.166 9.432) 19.653 4.511 ( 3.648 9.671 -11.030) 15.116 4.511 ( 3.648 9.671 11.030) 15.116 4.756 ( -0.416 9.007 -2.492) 9.354 4.756 ( -0.416 9.007 2.492) 9.354 5.080 ( -0.678 7.946 -4.526) 9.170 5.080 ( -0.678 7.946 4.526) 9.170 5.463 ( -5.780 -1.235 -3.643) 6.943 5.463 ( -5.780 -1.235 3.643) 6.943 5.795 ( 6.163 6.310 -3.118) 9.355 5.795 ( 6.163 6.310 3.118) 9.355 6.049 ( -1.419 11.451 -1.124) 11.593 6.049 ( -1.419 11.451 1.124) 11.593 6.513 ( 2.077 21.315 -2.613) 21.575 6.513 ( 2.077 21.315 2.613) 21.575 6.555 ( 1.470 26.761 -1.701) 26.855 6.555 ( 1.470 26.761 1.701) 26.855 6.681 ( 5.662 18.876 -1.872) 19.795 6.681 ( 5.662 18.876 1.872) 19.795 7.147 ( -2.132 13.936 -2.350) 14.293 7.147 ( -2.132 13.936 2.350) 14.293 7.340 ( -7.446 4.981 -5.767) 10.654 7.340 ( -7.446 4.981 5.767) 10.654 7.854 ( -0.948 0.281 -3.095) 3.249 7.854 ( -0.948 0.281 3.095) 3.249 8.361 ( 4.373 8.595 -0.892) 9.685 8.361 ( 4.373 8.595 0.892) 9.685 8.470 ( 2.762 1.390 -1.842) 3.599 8.470 ( 2.762 1.390 1.842) 3.599 8.921 ( 0.678 -2.235 -4.504) 5.074 8.921 ( 0.678 -2.235 4.504) 5.074 9.207 ( -2.953 -6.236 -7.065) 9.875 9.207 ( -2.953 -6.236 7.065) 9.875 9.502 ( -3.284 8.892 -5.719) 11.071 9.502 ( -3.284 8.892 5.719) 11.071 9.637 ( -0.585 -1.511 -7.193) 7.373 9.637 ( -0.585 -1.511 7.193) 7.373 10.069 ( -2.136 3.940 -4.091) 6.068 10.069 ( -2.136 3.940 4.091) 6.068 10.232 ( -0.794 0.564 -4.127) 4.240 10.232 ( -0.794 0.564 4.127) 4.240 10.525 ( 1.573 -11.651 -5.615) 13.029 10.525 ( 1.573 -11.651 5.615) 13.029 10.811 ( -8.046 -3.823 -5.791) 10.625 10.811 ( -8.046 -3.823 5.791) 10.625 11.226 ( 1.318 10.608 -15.312) 18.674 11.226 ( 1.318 10.608 15.312) 18.674 11.340 ( 5.914 -3.112 -10.914) 12.798 11.340 ( 5.914 -3.112 10.914) 12.798 12.028 ( 2.558 11.620 -28.673) 31.044 12.028 ( 2.558 11.620 28.673) 31.044 12.306 ( -4.491 2.719 -6.001) 7.973 12.306 ( -4.491 2.719 6.001) 7.973 13.301 ( 10.499 10.544 -4.421) 15.523 13.301 ( 10.499 10.544 4.421) 15.523 14.105 ( -9.440 5.724 -4.812) 12.043 14.105 ( -9.440 5.724 4.812) 12.043 14.298 ( 0.105 1.153 -3.021) 3.235 14.298 ( 0.105 1.153 3.021) 3.235 14.427 ( 0.659 -9.137 -0.333) 9.167 14.427 ( 0.659 -9.137 0.333) 9.167 15.321 ( -1.410 11.334 -3.125) 11.841 15.321 ( -1.410 11.334 3.125) 11.841 15.364 ( 0.788 10.828 -1.593) 10.973 15.364 ( 0.788 10.828 1.593) 10.973 17.683 ( 2.832 -0.529 -29.212) 29.354 17.683 ( 2.832 -0.529 29.212) 29.354 18.836 ( -10.606 -20.720 -20.802) 31.218 18.836 ( -10.606 -20.720 20.802) 31.218 19.927 ( 0.423 5.442 -5.798) 7.963 19.927 ( 0.423 5.442 5.798) 7.963 20.319 ( -2.279 7.660 -1.302) 8.097 20.319 ( -2.279 7.660 1.302) 8.097 22.948 ( 6.514 -7.841 -5.551) 11.607 22.948 ( 6.514 -7.841 5.551) 11.607 23.555 ( 1.148 -22.901 -4.746) 23.416 23.555 ( 1.148 -22.901 4.746) 23.416 ======================= Grid point 164 (54/63) ======================= q-point: ( 0.40 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 9.698 15.040 -2.615) 18.086 1.909 ( 9.698 15.040 2.615) 18.086 2.066 ( -5.733 14.977 -5.051) 16.814 2.066 ( -5.733 14.977 5.051) 16.814 2.331 ( -1.179 13.044 -7.311) 15.000 2.331 ( -1.179 13.044 7.311) 15.000 2.638 ( -9.827 11.485 -5.814) 16.195 2.638 ( -9.827 11.485 5.814) 16.195 3.049 ( 3.400 8.129 -4.398) 9.848 3.049 ( 3.400 8.129 4.398) 9.848 3.118 ( -2.821 7.047 -5.303) 9.260 3.118 ( -2.821 7.047 5.303) 9.260 3.632 ( 7.653 1.072 -3.114) 8.332 3.632 ( 7.653 1.072 3.114) 8.332 3.825 ( -5.949 6.391 -1.272) 8.823 3.825 ( -5.949 6.391 1.272) 8.823 4.093 ( 7.346 14.287 -2.535) 16.264 4.093 ( 7.346 14.287 2.535) 16.264 4.295 ( -0.821 16.946 -7.339) 18.486 4.295 ( -0.821 16.946 7.339) 18.486 4.581 ( 3.563 13.631 -7.087) 15.771 4.581 ( 3.563 13.631 7.087) 15.771 4.707 ( -4.146 16.653 -4.315) 17.696 4.707 ( -4.146 16.653 4.315) 17.696 5.103 ( 2.466 1.577 -3.385) 4.475 5.103 ( 2.466 1.577 3.385) 4.475 5.364 ( -4.076 -3.003 -1.258) 5.217 5.364 ( -4.076 -3.003 1.258) 5.217 5.906 ( 5.752 7.605 -2.911) 9.969 5.906 ( 5.752 7.605 2.911) 9.969 5.999 ( -4.074 10.334 -2.437) 11.373 5.999 ( -4.074 10.334 2.437) 11.373 6.518 ( 0.229 32.627 -0.587) 32.633 6.518 ( 0.229 32.627 0.587) 32.633 6.610 ( 1.636 26.055 -0.739) 26.117 6.610 ( 1.636 26.055 0.739) 26.117 6.844 ( 11.950 7.974 -4.345) 15.009 6.844 ( 11.950 7.974 4.345) 15.009 7.068 ( -8.817 9.133 -4.337) 13.415 7.068 ( -8.817 9.133 4.337) 13.415 7.195 ( -4.828 11.073 -1.174) 12.137 7.195 ( -4.828 11.073 1.174) 12.137 7.839 ( -0.512 -0.449 -1.331) 1.495 7.839 ( -0.512 -0.449 1.331) 1.495 8.455 ( 4.782 5.401 -2.532) 7.645 8.455 ( 4.782 5.401 2.532) 7.645 8.505 ( 0.287 2.964 -3.885) 4.895 8.505 ( 0.287 2.964 3.885) 4.895 8.903 ( -2.162 -4.455 -3.432) 6.025 8.903 ( -2.162 -4.455 3.432) 6.025 9.221 ( 5.279 -3.352 -4.402) 7.647 9.221 ( 5.279 -3.352 4.402) 7.647 9.383 ( -8.562 8.492 -5.327) 13.183 9.383 ( -8.562 8.492 5.327) 13.183 9.638 ( 0.316 1.955 -2.757) 3.395 9.638 ( 0.316 1.955 2.757) 3.395 10.072 ( 1.913 5.661 -2.760) 6.582 10.072 ( 1.913 5.661 2.760) 6.582 10.189 ( -3.122 4.869 -0.731) 5.829 10.189 ( -3.122 4.869 0.731) 5.829 10.568 ( 3.098 -13.523 -5.949) 15.095 10.568 ( 3.098 -13.523 5.949) 15.095 10.670 ( -6.319 -13.647 -6.978) 16.579 10.670 ( -6.319 -13.647 6.978) 16.579 11.251 ( 0.866 15.523 -7.570) 17.292 11.251 ( 0.866 15.523 7.570) 17.292 11.429 ( 3.027 -2.371 -5.576) 6.774 11.429 ( 3.027 -2.371 5.576) 6.774 12.072 ( 1.597 7.960 -14.255) 16.405 12.072 ( 1.597 7.960 14.255) 16.405 12.229 ( -2.894 4.541 -6.258) 8.256 12.229 ( -2.894 4.541 6.258) 8.256 13.555 ( 16.398 9.532 -7.016) 20.223 13.555 ( 16.398 9.532 7.016) 20.223 13.862 ( -16.159 7.340 -7.023) 19.087 13.862 ( -16.159 7.340 7.023) 19.087 14.301 ( 0.089 1.618 -0.942) 1.874 14.301 ( 0.089 1.618 0.942) 1.874 14.444 ( 0.756 -8.170 -0.386) 8.214 14.444 ( 0.756 -8.170 0.386) 8.214 15.288 ( -1.346 12.982 -1.031) 13.092 15.288 ( -1.346 12.982 1.031) 13.092 15.383 ( 0.784 8.986 -0.083) 9.021 15.383 ( 0.784 8.986 0.083) 9.021 17.738 ( 2.270 -1.406 -13.538) 13.799 17.738 ( 2.270 -1.406 13.538) 13.799 18.652 ( -6.810 -18.284 -11.652) 22.725 18.652 ( -6.810 -18.284 11.652) 22.725 19.943 ( 0.855 9.212 -1.319) 9.345 19.943 ( 0.855 9.212 1.319) 9.345 20.276 ( -1.707 7.445 -0.806) 7.681 20.276 ( -1.707 7.445 0.806) 7.681 23.051 ( 3.434 -11.056 -3.244) 12.023 23.051 ( 3.434 -11.056 3.244) 12.023 23.576 ( 0.834 -23.939 -2.489) 24.083 23.576 ( 0.834 -23.939 2.489) 24.083 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 0.000 17.259 -3.590) 17.629 2.063 ( 0.000 17.259 3.590) 17.629 2.348 ( 0.000 6.631 -5.542) 8.642 2.348 ( 0.000 6.631 5.542) 8.642 2.817 ( 0.000 19.454 -7.357) 20.798 2.817 ( 0.000 19.454 7.357) 20.798 3.055 ( 0.000 -1.129 -1.054) 1.544 3.055 ( 0.000 -1.129 1.054) 1.544 3.154 ( 0.000 7.524 -0.320) 7.530 3.154 ( 0.000 7.524 0.320) 7.530 3.240 ( 0.000 2.123 -4.010) 4.537 3.240 ( 0.000 2.123 4.010) 4.537 3.469 ( 0.000 -1.881 -1.470) 2.388 3.469 ( 0.000 -1.881 1.470) 2.388 3.968 ( 0.000 11.098 -6.637) 12.931 3.968 ( 0.000 11.098 6.637) 12.931 4.106 ( 0.000 4.127 -0.399) 4.146 4.106 ( 0.000 4.127 0.399) 4.146 4.456 ( 0.000 -1.063 -15.023) 15.061 4.456 ( 0.000 -1.063 15.023) 15.061 4.816 ( 0.000 13.941 -6.874) 15.543 4.816 ( 0.000 13.941 6.874) 15.543 4.867 ( 0.000 14.489 -6.539) 15.897 4.867 ( 0.000 14.489 6.539) 15.897 5.330 ( 0.000 9.785 -10.102) 14.064 5.330 ( 0.000 9.785 10.102) 14.064 5.504 ( 0.000 0.703 -4.779) 4.830 5.504 ( 0.000 0.703 4.779) 4.830 5.857 ( 0.000 9.888 -6.124) 11.631 5.857 ( 0.000 9.888 6.124) 11.631 6.219 ( 0.000 7.606 -1.927) 7.846 6.219 ( 0.000 7.606 1.927) 7.846 6.668 ( 0.000 9.938 -3.912) 10.681 6.668 ( 0.000 9.938 3.912) 10.681 6.949 ( 0.000 11.162 -4.401) 11.999 6.949 ( 0.000 11.162 4.401) 11.999 7.096 ( 0.000 11.524 -3.952) 12.183 7.096 ( 0.000 11.524 3.952) 12.183 7.443 ( 0.000 7.352 -1.064) 7.428 7.443 ( 0.000 7.352 1.064) 7.428 7.609 ( 0.000 19.587 -3.438) 19.887 7.609 ( 0.000 19.587 3.438) 19.887 8.050 ( 0.000 17.099 -0.214) 17.100 8.050 ( 0.000 17.099 0.214) 17.100 8.451 ( 0.000 2.383 -0.419) 2.419 8.451 ( 0.000 2.383 0.419) 2.419 8.574 ( 0.000 11.659 -0.598) 11.674 8.574 ( 0.000 11.659 0.598) 11.674 8.803 ( 0.000 -5.479 -1.641) 5.720 8.803 ( 0.000 -5.479 1.641) 5.720 8.927 ( 0.000 -19.333 -5.956) 20.230 8.927 ( 0.000 -19.333 5.956) 20.230 9.579 ( 0.000 -2.600 -5.598) 6.172 9.579 ( 0.000 -2.600 5.598) 6.172 9.678 ( 0.000 4.729 -12.395) 13.267 9.678 ( 0.000 4.729 12.395) 13.267 10.047 ( 0.000 -5.616 -3.699) 6.724 10.047 ( 0.000 -5.616 3.699) 6.724 10.189 ( 0.000 -2.835 -10.717) 11.086 10.189 ( 0.000 -2.835 10.717) 11.086 10.470 ( 0.000 3.176 -5.797) 6.610 10.470 ( 0.000 3.176 5.797) 6.610 10.909 ( 0.000 -9.755 -3.681) 10.427 10.909 ( 0.000 -9.755 3.681) 10.427 11.117 ( 0.000 4.323 -2.969) 5.245 11.117 ( 0.000 4.323 2.969) 5.245 11.520 ( 0.000 13.078 -4.787) 13.926 11.520 ( 0.000 13.078 4.787) 13.926 12.212 ( 0.000 7.160 -26.115) 27.079 12.212 ( 0.000 7.160 26.115) 27.079 12.390 ( 0.000 2.136 -2.382) 3.200 12.390 ( 0.000 2.136 2.382) 3.200 13.428 ( 0.000 11.110 -3.361) 11.607 13.428 ( 0.000 11.110 3.361) 11.607 14.170 ( 0.000 -12.761 -0.143) 12.762 14.170 ( 0.000 -12.761 0.143) 12.762 14.226 ( 0.000 -4.871 -3.461) 5.976 14.226 ( 0.000 -4.871 3.461) 5.976 14.335 ( 0.000 7.797 -4.669) 9.088 14.335 ( 0.000 7.797 4.669) 9.088 15.574 ( 0.000 14.487 -5.676) 15.560 15.574 ( 0.000 14.487 5.676) 15.560 15.677 ( 0.000 16.434 -9.110) 18.790 15.677 ( 0.000 16.434 9.110) 18.790 17.634 ( 0.000 -1.601 -29.573) 29.617 17.634 ( 0.000 -1.601 29.573) 29.617 18.487 ( 0.000 -22.845 -24.492) 33.493 18.487 ( 0.000 -22.845 24.492) 33.493 20.008 ( 0.000 4.767 -4.529) 6.575 20.008 ( 0.000 4.767 4.529) 6.575 20.459 ( 0.000 3.164 -1.162) 3.370 20.459 ( 0.000 3.164 1.162) 3.370 22.787 ( 0.000 -3.793 -1.688) 4.151 22.787 ( 0.000 -3.793 1.688) 4.151 23.134 ( 0.000 -18.430 -2.732) 18.631 23.134 ( 0.000 -18.430 2.732) 18.631 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.20 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 3.061 15.203 -3.175) 15.829 2.092 ( 3.061 15.203 3.175) 15.829 2.349 ( 0.289 9.037 -4.616) 10.152 2.349 ( 0.289 9.037 4.616) 10.152 2.727 ( -8.038 15.142 -5.799) 18.097 2.727 ( -8.038 15.142 5.799) 18.097 2.993 ( -8.297 4.081 -3.364) 9.840 2.993 ( -8.297 4.081 3.364) 9.840 3.145 ( 0.988 5.633 -3.523) 6.717 3.145 ( 0.988 5.633 3.523) 6.717 3.239 ( 0.880 4.954 -4.236) 6.578 3.239 ( 0.880 4.954 4.236) 6.578 3.521 ( 4.950 -1.027 -2.440) 5.613 3.521 ( 4.950 -1.027 2.440) 5.613 4.022 ( -3.059 4.313 -1.638) 5.536 4.022 ( -3.059 4.313 1.638) 5.536 4.118 ( 8.566 7.339 -3.214) 11.729 4.118 ( 8.566 7.339 3.214) 11.729 4.478 ( 1.805 0.173 -15.909) 16.012 4.478 ( 1.805 0.173 15.909) 16.012 4.824 ( 1.235 15.469 -5.326) 16.406 4.824 ( 1.235 15.469 5.326) 16.406 4.923 ( 4.857 11.696 -4.394) 13.405 4.923 ( 4.857 11.696 4.394) 13.405 5.272 ( -5.566 9.369 -8.093) 13.574 5.272 ( -5.566 9.369 8.093) 13.574 5.443 ( -5.594 1.501 -4.379) 7.261 5.443 ( -5.594 1.501 4.379) 7.261 5.918 ( 5.765 9.195 -5.591) 12.208 5.918 ( 5.765 9.195 5.591) 12.208 6.210 ( -1.506 8.010 -2.899) 8.650 6.210 ( -1.506 8.010 2.899) 8.650 6.729 ( 6.193 8.388 -3.637) 11.042 6.729 ( 6.193 8.388 3.637) 11.042 6.956 ( 1.320 12.361 -3.296) 12.861 6.956 ( 1.320 12.361 3.296) 12.861 7.090 ( -1.001 9.831 -4.547) 10.878 7.090 ( -1.001 9.831 4.547) 10.878 7.401 ( -4.387 8.013 -3.254) 9.698 7.401 ( -4.387 8.013 3.254) 9.698 7.613 ( 0.322 22.456 -3.695) 22.760 7.613 ( 0.322 22.456 3.695) 22.760 8.028 ( -1.960 16.902 -0.813) 17.034 8.028 ( -1.960 16.902 0.813) 17.034 8.467 ( 1.618 1.115 -2.749) 3.379 8.467 ( 1.618 1.115 2.749) 3.379 8.567 ( -0.406 7.901 -2.784) 8.387 8.567 ( -0.406 7.901 2.784) 8.387 8.831 ( 0.283 -5.396 -1.708) 5.667 8.831 ( 0.283 -5.396 1.708) 5.667 8.910 ( 0.371 -17.074 -4.175) 17.581 8.910 ( 0.371 -17.074 4.175) 17.581 9.568 ( -1.133 0.009 -4.971) 5.098 9.568 ( -1.133 0.009 4.971) 5.098 9.712 ( 3.174 5.503 -9.827) 11.702 9.712 ( 3.174 5.503 9.827) 11.702 10.044 ( 0.085 -5.835 -3.594) 6.853 10.044 ( 0.085 -5.835 3.594) 6.853 10.189 ( -0.151 -3.146 -11.391) 11.819 10.189 ( -0.151 -3.146 11.391) 11.819 10.457 ( -1.228 3.079 -5.268) 6.225 10.457 ( -1.228 3.079 5.268) 6.225 10.743 ( -12.242 -4.395 -8.984) 15.808 10.743 ( -12.242 -4.395 8.984) 15.808 11.250 ( 8.974 -0.150 -6.457) 11.056 11.250 ( 8.974 -0.150 6.457) 11.056 11.510 ( -1.179 10.923 -3.166) 11.433 11.510 ( -1.179 10.923 3.166) 11.433 12.214 ( 0.308 6.677 -23.443) 24.378 12.214 ( 0.308 6.677 23.443) 24.378 12.363 ( -2.557 2.969 -6.223) 7.354 12.363 ( -2.557 2.969 6.223) 7.354 13.511 ( 8.425 9.248 -5.569) 13.694 13.511 ( 8.425 9.248 5.569) 13.694 14.133 ( -5.224 -8.565 -5.313) 11.352 14.133 ( -5.224 -8.565 5.313) 11.352 14.225 ( 0.944 -4.394 -4.293) 6.215 14.225 ( 0.944 -4.394 4.293) 6.215 14.325 ( -0.963 5.079 -3.793) 6.411 14.325 ( -0.963 5.079 3.793) 6.411 15.584 ( 0.958 14.449 -6.008) 15.678 15.584 ( 0.958 14.449 6.008) 15.678 15.662 ( -1.491 16.590 -8.068) 18.508 15.662 ( -1.491 16.590 8.068) 18.508 17.654 ( 2.034 -1.932 -26.382) 26.531 17.654 ( 2.034 -1.932 26.382) 26.531 18.414 ( -6.958 -20.684 -23.148) 31.814 18.414 ( -6.958 -20.684 23.148) 31.814 20.037 ( 2.768 4.948 -3.401) 6.612 20.037 ( 2.768 4.948 3.401) 6.612 20.435 ( -2.424 3.182 -1.259) 4.194 20.435 ( -2.424 3.182 1.259) 4.194 22.815 ( 2.625 -5.556 -2.839) 6.769 22.815 ( 2.625 -5.556 2.839) 6.769 23.142 ( 0.845 -18.277 -3.009) 18.542 23.142 ( 0.845 -18.277 3.009) 18.542 ======================= Grid point 174 (57/63) ======================= q-point: ( 0.40 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 3.243 10.929 -1.712) 11.528 2.159 ( 3.243 10.929 1.712) 11.528 2.355 ( 0.021 12.990 -2.387) 13.208 2.355 ( 0.021 12.990 2.387) 13.208 2.595 ( -4.571 12.677 -2.011) 13.625 2.595 ( -4.571 12.677 2.011) 13.625 2.841 ( -5.797 9.036 -1.745) 10.876 2.841 ( -5.797 9.036 1.745) 10.876 3.170 ( 0.987 4.144 -2.372) 4.876 3.170 ( 0.987 4.144 2.372) 4.876 3.253 ( 0.405 6.641 -2.122) 6.983 3.253 ( 0.405 6.641 2.122) 6.983 3.625 ( 5.082 -1.567 -1.707) 5.586 3.625 ( 5.082 -1.567 1.707) 5.586 3.918 ( -5.349 3.371 -0.562) 6.347 3.918 ( -5.349 3.371 0.562) 6.347 4.294 ( 6.675 6.087 -1.458) 9.151 4.294 ( 6.675 6.087 1.458) 9.151 4.505 ( 0.920 2.618 -11.257) 11.594 4.505 ( 0.920 2.618 11.257) 11.594 4.861 ( 2.331 13.935 -3.507) 14.557 4.861 ( 2.331 13.935 3.507) 14.557 4.984 ( 0.181 10.112 -6.158) 11.841 4.984 ( 0.181 10.112 6.158) 11.841 5.191 ( -1.119 8.646 -1.308) 8.816 5.191 ( -1.119 8.646 1.308) 8.816 5.337 ( -4.820 2.402 -3.105) 6.216 5.337 ( -4.820 2.402 3.105) 6.216 6.036 ( 6.534 9.088 -5.055) 12.281 6.036 ( 6.534 9.088 5.055) 12.281 6.152 ( -4.726 8.242 -4.312) 10.433 6.152 ( -4.726 8.242 4.312) 10.433 6.858 ( 6.460 5.707 -2.826) 9.071 6.858 ( 6.460 5.707 2.826) 9.071 6.988 ( -0.144 10.582 -2.778) 10.941 6.988 ( -0.144 10.582 2.778) 10.941 7.067 ( 0.213 9.242 -4.329) 10.208 7.067 ( 0.213 9.242 4.329) 10.208 7.302 ( -5.061 11.543 -3.009) 12.958 7.302 ( -5.061 11.543 3.009) 12.958 7.618 ( 0.213 26.659 -1.708) 26.715 7.618 ( 0.213 26.659 1.708) 26.715 7.997 ( -1.078 16.197 -0.557) 16.242 7.997 ( -1.078 16.197 0.557) 16.242 8.495 ( 0.892 0.469 -3.307) 3.457 8.495 ( 0.892 0.469 3.307) 3.457 8.576 ( 1.336 1.395 -3.950) 4.397 8.576 ( 1.336 1.395 3.950) 4.397 8.773 ( -3.730 -8.022 -3.123) 9.382 8.773 ( -3.730 -8.022 3.123) 9.382 8.966 ( 2.934 -13.159 -1.469) 13.561 8.966 ( 2.934 -13.159 1.469) 13.561 9.545 ( -0.972 6.394 -2.263) 6.852 9.545 ( -0.972 6.394 2.263) 6.852 9.763 ( 1.715 6.406 -3.592) 7.542 9.763 ( 1.715 6.406 3.592) 7.542 10.069 ( 2.504 -4.318 -2.941) 5.793 10.069 ( 2.504 -4.318 2.941) 5.793 10.171 ( -1.885 -5.713 -8.767) 10.633 10.171 ( -1.885 -5.713 8.767) 10.633 10.445 ( 0.671 1.635 -4.820) 5.134 10.445 ( 0.671 1.635 4.820) 5.134 10.549 ( -7.599 -0.931 -7.870) 10.979 10.549 ( -7.599 -0.931 7.870) 10.979 11.383 ( 5.132 -0.553 -4.343) 6.746 11.383 ( 5.132 -0.553 4.343) 6.746 11.478 ( -2.206 7.017 -1.400) 7.488 11.478 ( -2.206 7.017 1.400) 7.488 12.223 ( 0.490 5.971 -12.149) 13.546 12.223 ( 0.490 5.971 12.149) 13.546 12.318 ( -1.737 4.304 -6.116) 7.677 12.318 ( -1.737 4.304 6.116) 7.677 13.694 ( 9.674 2.876 -6.312) 11.904 13.694 ( 9.674 2.876 6.312) 11.904 13.993 ( -8.340 2.295 -6.746) 10.969 13.993 ( -8.340 2.295 6.746) 10.969 14.257 ( 1.920 -4.965 -4.112) 6.726 14.257 ( 1.920 -4.965 4.112) 6.726 14.303 ( -1.386 1.247 -3.549) 4.009 14.303 ( -1.386 1.247 3.549) 4.009 15.604 ( 1.227 15.370 -6.499) 16.733 15.604 ( 1.227 15.370 6.499) 16.733 15.631 ( -1.627 15.964 -6.714) 17.395 15.631 ( -1.627 15.964 6.714) 17.395 17.694 ( 1.676 -2.557 -12.453) 12.823 17.694 ( 1.676 -2.557 12.453) 12.823 18.293 ( -4.544 -17.373 -11.677) 21.420 18.293 ( -4.544 -17.373 11.677) 21.420 20.088 ( 2.093 5.371 -1.261) 5.901 20.088 ( 2.093 5.371 1.261) 5.901 20.388 ( -1.949 3.131 -0.779) 3.770 20.388 ( -1.949 3.131 0.779) 3.770 22.858 ( 1.480 -8.227 -1.693) 8.529 22.858 ( 1.480 -8.227 1.693) 8.529 23.158 ( 0.584 -18.027 -1.581) 18.106 23.158 ( 0.584 -18.027 1.581) 18.106 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.000 8.476 -3.853) 9.310 2.320 ( 0.000 8.476 3.853) 9.310 2.479 ( 0.000 7.012 -2.015) 7.296 2.479 ( 0.000 7.012 2.015) 7.296 2.938 ( 0.000 -7.713 -1.531) 7.864 2.938 ( 0.000 -7.713 1.531) 7.864 3.130 ( 0.000 8.207 -3.536) 8.937 3.130 ( 0.000 8.207 3.536) 8.937 3.257 ( 0.000 3.824 -1.293) 4.037 3.257 ( 0.000 3.824 1.293) 4.037 3.366 ( 0.000 9.904 -1.757) 10.058 3.366 ( 0.000 9.904 1.757) 10.058 3.425 ( 0.000 -0.518 -0.311) 0.604 3.425 ( 0.000 -0.518 0.311) 0.604 4.102 ( 0.000 0.955 -10.376) 10.419 4.102 ( 0.000 0.955 10.376) 10.419 4.167 ( 0.000 2.467 -0.712) 2.568 4.167 ( 0.000 2.467 0.712) 2.568 4.394 ( 0.000 -3.335 -14.213) 14.599 4.394 ( 0.000 -3.335 14.213) 14.599 4.948 ( 0.000 6.252 -1.924) 6.541 4.948 ( 0.000 6.252 1.924) 6.541 5.249 ( 0.000 15.397 -10.438) 18.601 5.249 ( 0.000 15.397 10.438) 18.601 5.432 ( 0.000 3.453 -9.879) 10.465 5.432 ( 0.000 3.453 9.879) 10.465 5.597 ( 0.000 6.077 -3.502) 7.013 5.597 ( 0.000 6.077 3.502) 7.013 6.121 ( 0.000 15.540 -5.621) 16.525 6.121 ( 0.000 15.540 5.621) 16.525 6.390 ( 0.000 9.451 -2.284) 9.723 6.390 ( 0.000 9.451 2.284) 9.723 6.810 ( 0.000 2.749 -1.755) 3.261 6.810 ( 0.000 2.749 1.755) 3.261 7.106 ( 0.000 6.712 -6.368) 9.252 7.106 ( 0.000 6.712 6.368) 9.252 7.187 ( 0.000 1.493 -7.969) 8.107 7.187 ( 0.000 1.493 7.969) 8.107 7.513 ( 0.000 -0.101 -4.416) 4.417 7.513 ( 0.000 -0.101 4.416) 4.417 7.960 ( 0.000 13.513 -2.724) 13.785 7.960 ( 0.000 13.513 2.724) 13.785 8.352 ( 0.000 5.624 -2.294) 6.074 8.352 ( 0.000 5.624 2.294) 6.074 8.471 ( 0.000 3.462 -1.197) 3.663 8.471 ( 0.000 3.462 1.197) 3.663 8.542 ( 0.000 -8.388 -8.998) 12.301 8.542 ( 0.000 -8.388 8.998) 12.301 8.637 ( 0.000 -7.250 -2.592) 7.700 8.637 ( 0.000 -7.250 2.592) 7.700 8.978 ( 0.000 15.469 -3.863) 15.944 8.978 ( 0.000 15.469 3.863) 15.944 9.557 ( 0.000 0.946 -6.059) 6.132 9.557 ( 0.000 0.946 6.059) 6.132 9.732 ( 0.000 0.102 -14.630) 14.630 9.732 ( 0.000 0.102 14.630) 14.630 9.928 ( 0.000 -5.121 -2.279) 5.605 9.928 ( 0.000 -5.121 2.279) 5.605 10.159 ( 0.000 -1.232 -8.582) 8.670 10.159 ( 0.000 -1.232 8.582) 8.670 10.526 ( 0.000 2.213 -4.954) 5.426 10.526 ( 0.000 2.213 4.954) 5.426 10.669 ( 0.000 -11.065 -5.273) 12.257 10.669 ( 0.000 -11.065 5.273) 12.257 11.277 ( 0.000 8.232 -4.446) 9.356 11.277 ( 0.000 8.232 4.446) 9.356 11.686 ( 0.000 4.166 -0.454) 4.190 11.686 ( 0.000 4.166 0.455) 4.190 12.295 ( 0.000 2.219 -16.023) 16.176 12.295 ( 0.000 2.219 16.023) 16.176 12.449 ( 0.000 3.491 -0.633) 3.548 12.449 ( 0.000 3.491 0.633) 3.548 13.558 ( 0.000 1.032 -6.453) 6.535 13.558 ( 0.000 1.032 6.453) 6.535 13.924 ( 0.000 -10.964 -0.532) 10.977 13.924 ( 0.000 -10.964 0.532) 10.977 14.235 ( 0.000 6.220 -5.275) 8.156 14.235 ( 0.000 6.220 5.275) 8.156 14.492 ( 0.000 7.139 -3.545) 7.971 14.492 ( 0.000 7.139 3.545) 7.971 15.853 ( 0.000 12.904 -4.161) 13.558 15.853 ( 0.000 12.904 4.161) 13.558 15.959 ( 0.000 11.299 -9.378) 14.683 15.959 ( 0.000 11.299 9.378) 14.683 17.611 ( 0.000 -0.393 -20.701) 20.705 17.611 ( 0.000 -0.393 20.701) 20.705 18.089 ( 0.000 -16.756 -20.413) 26.409 18.089 ( 0.000 -16.756 20.413) 26.409 20.091 ( 0.000 3.545 -2.435) 4.301 20.091 ( 0.000 3.545 2.435) 4.301 20.456 ( 0.000 -3.103 -2.047) 3.717 20.456 ( 0.000 -3.103 2.047) 3.717 22.725 ( 0.000 -2.478 -0.803) 2.605 22.725 ( 0.000 -2.478 0.803) 2.605 22.838 ( 0.000 -11.287 -1.251) 11.356 22.838 ( 0.000 -11.287 1.251) 11.356 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.677 8.292 -3.213) 8.919 2.322 ( 0.677 8.292 3.213) 8.919 2.513 ( 2.973 7.382 -1.829) 8.165 2.513 ( 2.973 7.382 1.829) 8.165 2.856 ( -6.365 -1.872 -2.395) 7.054 2.856 ( -6.365 -1.872 2.395) 7.054 3.105 ( -4.844 5.535 -2.557) 7.787 3.105 ( -4.844 5.535 2.557) 7.787 3.236 ( -0.353 4.837 -0.939) 4.940 3.236 ( -0.353 4.837 0.939) 4.940 3.377 ( 1.052 9.215 -0.282) 9.279 3.377 ( 1.052 9.215 0.282) 9.279 3.485 ( 5.295 -1.620 -2.591) 6.113 3.485 ( 5.295 -1.620 2.591) 6.113 4.051 ( -5.613 -1.523 -4.356) 7.266 4.051 ( -5.613 -1.523 4.356) 7.266 4.220 ( 6.220 2.457 -3.597) 7.594 4.220 ( 6.220 2.457 3.597) 7.594 4.423 ( 2.179 -3.847 -14.186) 14.859 4.423 ( 2.179 -3.847 14.186) 14.859 4.987 ( 3.877 6.424 -1.396) 7.633 4.987 ( 3.877 6.425 1.396) 7.633 5.237 ( -1.692 13.312 -7.931) 15.588 5.237 ( -1.692 13.312 7.931) 15.588 5.409 ( -1.972 6.247 -6.948) 9.549 5.409 ( -1.972 6.247 6.948) 9.549 5.543 ( -4.973 6.345 -1.332) 8.171 5.543 ( -4.973 6.345 1.332) 8.171 6.161 ( 4.076 14.110 -5.142) 15.561 6.161 ( 4.076 14.110 5.142) 15.561 6.394 ( -0.332 10.377 -3.533) 10.966 6.394 ( -0.332 10.377 3.533) 10.966 6.840 ( 3.378 1.898 -1.383) 4.114 6.840 ( 3.378 1.898 1.383) 4.114 7.115 ( -0.642 3.121 -0.879) 3.305 7.115 ( -0.642 3.121 0.879) 3.305 7.176 ( 0.674 4.524 -12.252) 13.078 7.176 ( 0.674 4.524 12.252) 13.078 7.502 ( -1.432 1.771 -5.126) 5.609 7.502 ( -1.432 1.771 5.126) 5.609 7.988 ( 2.890 13.624 -3.000) 14.246 7.988 ( 2.890 13.624 3.000) 14.246 8.310 ( -3.735 5.568 -2.649) 7.209 8.310 ( -3.735 5.568 2.649) 7.209 8.450 ( -1.816 -3.456 -1.714) 4.264 8.450 ( -1.816 -3.456 1.714) 4.264 8.523 ( -1.966 -6.390 -6.721) 9.480 8.523 ( -1.966 -6.390 6.721) 9.480 8.678 ( 3.616 -1.002 -2.520) 4.520 8.678 ( 3.616 -1.002 2.520) 4.520 8.961 ( -1.746 12.252 -3.291) 12.806 8.961 ( -1.746 12.252 3.291) 12.806 9.585 ( 2.853 2.091 -5.039) 6.156 9.585 ( 2.853 2.091 5.039) 6.156 9.770 ( 3.493 -0.283 -12.295) 12.785 9.770 ( 3.493 -0.283 12.295) 12.785 9.923 ( -0.170 -5.217 -2.572) 5.819 9.923 ( -0.170 -5.217 2.572) 5.819 10.141 ( -2.111 -2.325 -11.042) 11.480 10.141 ( -2.111 -2.325 11.042) 11.480 10.522 ( -0.459 2.724 -4.903) 5.627 10.522 ( -0.459 2.724 4.903) 5.627 10.619 ( -4.450 -6.498 -5.328) 9.509 10.619 ( -4.450 -6.498 5.328) 9.509 11.323 ( 4.438 5.844 -4.443) 8.578 11.323 ( 4.438 5.844 4.443) 8.578 11.657 ( -3.062 4.343 -2.638) 5.932 11.657 ( -3.062 4.343 2.638) 5.932 12.295 ( 0.124 2.404 -13.882) 14.089 12.295 ( 0.124 2.404 13.882) 14.089 12.426 ( -2.084 3.208 -3.625) 5.271 12.426 ( -2.084 3.208 3.625) 5.271 13.593 ( 3.410 -1.070 -5.966) 6.954 13.593 ( 3.410 -1.070 5.966) 6.954 13.901 ( -2.448 -11.443 -1.170) 11.761 13.901 ( -2.448 -11.443 1.170) 11.761 14.266 ( 3.204 7.409 -4.424) 9.205 14.266 ( 3.204 7.409 4.424) 9.205 14.474 ( -1.951 7.583 -2.830) 8.326 14.474 ( -1.951 7.583 2.830) 8.326 15.859 ( 0.580 12.585 -4.431) 13.355 15.859 ( 0.580 12.585 4.431) 13.355 15.949 ( -0.978 11.578 -8.288) 14.272 15.949 ( -0.978 11.578 8.288) 14.272 17.626 ( 1.538 -0.538 -18.707) 18.778 17.626 ( 1.538 -0.538 18.707) 18.778 18.053 ( -3.569 -15.338 -18.704) 24.450 18.053 ( -3.569 -15.338 18.704) 24.450 20.115 ( 2.436 3.179 -2.151) 4.546 20.115 ( 2.436 3.179 2.151) 4.546 20.434 ( -2.200 -2.903 -1.921) 4.118 20.434 ( -2.200 -2.903 1.921) 4.118 22.727 ( 0.189 -3.423 -1.078) 3.594 22.727 ( 0.189 -3.423 1.078) 3.594 22.851 ( 1.284 -11.018 -1.283) 11.166 22.851 ( 1.284 -11.018 1.283) 11.166 ======================= Grid point 184 (60/63) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 1.562 8.154 -1.663) 8.467 2.348 ( 1.562 8.154 1.663) 8.467 2.543 ( -0.279 5.643 -1.273) 5.791 2.543 ( -0.279 5.643 1.273) 5.791 2.790 ( 0.135 6.616 -2.863) 7.210 2.790 ( 0.135 6.616 2.863) 7.210 2.986 ( -5.838 5.008 -1.828) 7.906 2.986 ( -5.838 5.008 1.828) 7.906 3.240 ( 0.237 4.214 -0.828) 4.301 3.240 ( 0.237 4.214 0.828) 4.301 3.394 ( 0.608 8.184 -0.112) 8.208 3.394 ( 0.608 8.184 0.112) 8.208 3.579 ( 3.874 -2.814 -1.036) 4.899 3.579 ( 3.874 -2.814 1.036) 4.899 3.948 ( -4.245 -1.145 -1.238) 4.568 3.948 ( -4.245 -1.145 1.238) 4.568 4.339 ( 4.963 -0.764 -1.664) 5.289 4.339 ( 4.963 -0.764 1.664) 5.289 4.447 ( 0.253 -5.744 -10.033) 11.564 4.447 ( 0.253 -5.744 10.033) 11.564 5.073 ( 5.171 7.902 -0.997) 9.496 5.073 ( 5.171 7.902 0.997) 9.496 5.171 ( -5.242 9.686 -1.643) 11.135 5.171 ( -5.242 9.686 1.643) 11.135 5.396 ( 1.297 9.740 -1.962) 10.020 5.396 ( 1.297 9.740 1.962) 10.020 5.453 ( -4.320 7.412 -3.358) 9.213 5.453 ( -4.320 7.412 3.358) 9.213 6.252 ( 5.153 11.415 -4.506) 13.310 6.252 ( 5.153 11.415 4.506) 13.310 6.357 ( -3.537 11.987 -4.384) 13.244 6.357 ( -3.537 11.987 4.384) 13.244 6.923 ( 4.771 1.354 -1.297) 5.126 6.923 ( 4.771 1.354 1.297) 5.126 7.056 ( -4.245 -0.584 -1.172) 4.442 7.056 ( -4.245 -0.584 1.172) 4.442 7.232 ( 3.366 6.949 -6.525) 10.109 7.232 ( 3.366 6.949 6.525) 10.109 7.461 ( -2.386 4.736 -3.993) 6.638 7.461 ( -2.386 4.736 3.993) 6.638 8.048 ( 2.831 15.236 -2.129) 15.642 8.048 ( 2.831 15.236 2.129) 15.642 8.243 ( -2.874 3.691 -1.896) 5.047 8.243 ( -2.874 3.691 1.896) 5.047 8.424 ( -0.649 -10.258 -0.861) 10.315 8.424 ( -0.649 -10.258 0.861) 10.315 8.484 ( -1.658 -3.213 -3.024) 4.713 8.484 ( -1.658 -3.213 3.024) 4.713 8.738 ( 2.260 6.715 -1.285) 7.200 8.738 ( 2.260 6.715 1.285) 7.200 8.925 ( -1.590 6.011 -1.540) 6.405 8.925 ( -1.590 6.011 1.540) 6.405 9.642 ( 2.502 3.724 -2.360) 5.070 9.642 ( 2.502 3.724 2.360) 5.070 9.807 ( -0.048 -1.751 -2.487) 3.042 9.807 ( -0.048 -1.751 2.487) 3.042 9.965 ( 5.385 -5.097 -9.863) 12.339 9.965 ( 5.385 -5.097 9.863) 12.339 10.075 ( -5.247 -4.453 -13.107) 14.803 10.075 ( -5.247 -4.453 13.107) 14.803 10.513 ( -0.175 3.399 -2.966) 4.515 10.513 ( -0.175 3.399 2.966) 4.515 10.548 ( -2.607 0.576 -2.930) 3.964 10.548 ( -2.607 0.576 2.930) 3.964 11.407 ( 3.701 3.279 -3.005) 5.787 11.407 ( 3.701 3.279 3.005) 5.787 11.591 ( -3.206 4.445 -2.720) 6.119 11.591 ( -3.206 4.445 2.720) 6.119 12.300 ( 0.304 2.640 -6.496) 7.018 12.300 ( 0.304 2.640 6.496) 7.018 12.391 ( -1.348 2.790 -2.995) 4.309 12.391 ( -1.348 2.790 2.995) 4.309 13.658 ( 2.863 -4.726 -3.290) 6.430 13.658 ( 2.863 -4.726 3.290) 6.430 13.849 ( -2.395 -11.451 -1.424) 11.785 13.849 ( -2.395 -11.451 1.424) 11.785 14.341 ( 4.570 8.873 -2.221) 10.225 14.341 ( 4.570 8.873 2.221) 10.225 14.421 ( -3.769 8.325 -0.910) 9.184 14.421 ( -3.769 8.325 0.910) 9.184 15.872 ( 0.667 11.887 -3.112) 12.306 15.872 ( 0.667 11.887 3.112) 12.306 15.929 ( -0.922 12.248 -4.388) 13.043 15.929 ( -0.922 12.248 4.388) 13.043 17.657 ( 1.297 -0.803 -9.153) 9.279 17.657 ( 1.297 -0.803 9.153) 9.279 17.988 ( -2.521 -13.095 -9.283) 16.248 17.988 ( -2.521 -13.095 9.283) 16.248 20.163 ( 2.014 2.663 -1.080) 3.509 20.163 ( 2.014 2.663 1.080) 3.509 20.390 ( -1.884 -2.611 -1.045) 3.385 20.390 ( -1.884 -2.611 1.045) 3.385 22.731 ( 0.134 -4.625 -0.521) 4.656 22.731 ( 0.134 -4.625 0.521) 4.656 22.873 ( 0.765 -10.886 -0.566) 10.927 22.873 ( 0.765 -10.886 0.566) 10.927 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.000 2.145 -1.711) 2.743 2.417 ( 0.000 2.145 1.711) 2.743 2.619 ( 0.000 7.009 -0.719) 7.045 2.619 ( 0.000 7.009 0.719) 7.045 2.773 ( 0.000 -8.029 -0.843) 8.073 2.773 ( 0.000 -8.029 0.843) 8.073 3.188 ( 0.000 0.285 -0.589) 0.654 3.188 ( 0.000 0.285 0.589) 0.654 3.300 ( 0.000 0.542 -0.983) 1.122 3.300 ( 0.000 0.542 0.983) 1.122 3.405 ( 0.000 0.485 -0.090) 0.493 3.405 ( 0.000 0.485 0.090) 0.493 3.654 ( 0.000 13.946 -1.852) 14.069 3.654 ( 0.000 13.946 1.852) 14.069 3.990 ( 0.000 -10.244 -6.205) 11.976 3.990 ( 0.000 -10.244 6.205) 11.976 4.192 ( 0.000 0.550 -0.109) 0.561 4.192 ( 0.000 0.550 0.109) 0.561 4.382 ( 0.000 0.861 -5.072) 5.145 4.382 ( 0.000 0.861 5.072) 5.145 5.058 ( 0.000 3.733 -0.269) 3.742 5.058 ( 0.000 3.733 0.269) 3.742 5.384 ( 0.000 1.071 -2.070) 2.331 5.384 ( 0.000 1.071 2.070) 2.331 5.557 ( 0.000 6.051 -0.769) 6.100 5.557 ( 0.000 6.051 0.769) 6.100 5.675 ( 0.000 1.539 -2.209) 2.692 5.675 ( 0.000 1.539 2.209) 2.692 6.379 ( 0.000 7.791 -1.288) 7.896 6.379 ( 0.000 7.791 1.288) 7.896 6.587 ( 0.000 10.697 -3.563) 11.274 6.587 ( 0.000 10.697 3.563) 11.274 6.770 ( 0.000 -6.188 -0.910) 6.254 6.770 ( 0.000 -6.188 0.910) 6.254 7.190 ( 0.000 1.115 -0.089) 1.119 7.190 ( 0.000 1.115 0.089) 1.119 7.259 ( 0.000 6.703 -8.017) 10.450 7.259 ( 0.000 6.703 8.017) 10.450 7.423 ( 0.000 -7.936 -1.370) 8.053 7.423 ( 0.000 -7.936 1.370) 8.053 8.131 ( 0.000 3.755 -1.881) 4.200 8.131 ( 0.000 3.755 1.881) 4.200 8.301 ( 0.000 -1.883 -2.622) 3.228 8.301 ( 0.000 -1.883 2.622) 3.228 8.463 ( 0.000 -1.239 -2.856) 3.114 8.463 ( 0.000 -1.239 2.856) 3.114 8.537 ( 0.000 -0.798 -0.837) 1.156 8.537 ( 0.000 -0.798 0.837) 1.156 8.631 ( 0.000 3.612 -2.614) 4.459 8.631 ( 0.000 3.612 2.614) 4.459 9.193 ( 0.000 5.409 -2.117) 5.808 9.193 ( 0.000 5.409 2.117) 5.808 9.598 ( 0.000 1.963 -0.907) 2.162 9.598 ( 0.000 1.963 0.907) 2.162 9.708 ( 0.000 -0.953 -4.917) 5.008 9.708 ( 0.000 -0.953 4.917) 5.008 9.856 ( 0.000 -2.396 -1.137) 2.653 9.856 ( 0.000 -2.396 1.137) 2.653 10.116 ( 0.000 -2.390 -5.569) 6.060 10.116 ( 0.000 -2.390 5.569) 6.060 10.536 ( 0.000 -2.492 -1.206) 2.769 10.536 ( 0.000 -2.492 1.206) 2.769 10.559 ( 0.000 0.968 -1.573) 1.847 10.559 ( 0.000 0.968 1.573) 1.847 11.386 ( 0.000 2.682 -3.161) 4.145 11.386 ( 0.000 2.682 3.161) 4.145 11.721 ( 0.000 0.289 -0.011) 0.290 11.721 ( 0.000 0.289 0.011) 0.290 12.331 ( 0.000 1.330 -6.660) 6.792 12.331 ( 0.000 1.330 6.660) 6.792 12.502 ( 0.000 1.488 -2.251) 2.698 12.502 ( 0.000 1.488 2.251) 2.698 13.531 ( 0.000 -1.657 -2.427) 2.939 13.531 ( 0.000 -1.657 2.427) 2.939 13.768 ( 0.000 -4.302 -0.070) 4.303 13.768 ( 0.000 -4.302 0.070) 4.303 14.377 ( 0.000 5.174 -1.261) 5.326 14.377 ( 0.000 5.174 1.261) 5.326 14.591 ( 0.000 2.562 -1.324) 2.884 14.591 ( 0.000 2.562 1.324) 2.884 16.049 ( 0.000 6.012 -0.182) 6.015 16.049 ( 0.000 6.012 0.182) 6.015 16.102 ( 0.000 3.117 -5.785) 6.571 16.102 ( 0.000 3.117 5.785) 6.571 17.616 ( 0.000 0.493 -7.352) 7.368 17.616 ( 0.000 0.493 7.352) 7.368 17.854 ( 0.000 -6.448 -8.351) 10.551 17.854 ( 0.000 -6.448 8.351) 10.551 20.148 ( 0.000 1.985 -1.024) 2.234 20.148 ( 0.000 1.985 1.024) 2.234 20.378 ( 0.000 -3.307 -1.231) 3.529 20.378 ( 0.000 -3.307 1.231) 3.529 22.680 ( 0.000 -2.651 -0.264) 2.664 22.680 ( 0.000 -2.651 0.264) 2.664 22.701 ( 0.000 -1.939 -0.202) 1.950 22.701 ( 0.000 -1.939 0.202) 1.950 ======================= Grid point 192 (62/63) ======================= q-point: ( 0.20 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 1.558 2.720 -1.679) 3.556 2.430 ( 1.558 2.720 1.679) 3.556 2.636 ( -0.114 5.101 -1.212) 5.244 2.636 ( -0.114 5.101 1.212) 5.244 2.769 ( 1.608 -5.105 -0.509) 5.376 2.769 ( 1.608 -5.105 0.509) 5.376 3.146 ( -4.615 0.201 -0.647) 4.665 3.146 ( -4.615 0.201 0.647) 4.665 3.323 ( 2.104 2.976 -0.448) 3.672 3.323 ( 2.104 2.976 0.448) 3.672 3.427 ( 2.330 -1.559 -1.272) 3.078 3.427 ( 2.330 -1.559 1.272) 3.078 3.641 ( -1.234 13.116 -1.243) 13.232 3.641 ( -1.234 13.116 1.243) 13.232 3.935 ( -5.123 -9.700 -4.018) 11.682 3.935 ( -5.123 -9.700 4.018) 11.682 4.230 ( 3.701 -0.245 -0.841) 3.803 4.230 ( 3.701 -0.245 0.841) 3.803 4.385 ( -0.034 -0.268 -5.251) 5.258 4.385 ( -0.034 -0.268 5.251) 5.258 5.098 ( 4.092 3.678 -0.328) 5.512 5.098 ( 4.092 3.678 0.328) 5.512 5.372 ( -1.606 2.082 -1.695) 3.129 5.372 ( -1.606 2.082 1.695) 3.129 5.551 ( -0.646 5.938 -1.203) 6.093 5.551 ( -0.646 5.938 1.203) 6.093 5.625 ( -4.401 1.399 -1.833) 4.968 5.625 ( -4.401 1.399 1.833) 4.968 6.397 ( 2.002 7.510 -1.600) 7.935 6.397 ( 2.002 7.510 1.600) 7.935 6.596 ( -0.632 8.925 -3.830) 9.732 6.596 ( -0.632 8.925 3.830) 9.732 6.807 ( 4.759 -4.245 -1.769) 6.618 6.807 ( 4.759 -4.245 1.769) 6.618 7.129 ( -4.780 0.091 -0.968) 4.878 7.129 ( -4.780 0.091 0.968) 4.878 7.291 ( 2.449 5.718 -7.051) 9.403 7.291 ( 2.449 5.718 7.051) 9.403 7.450 ( 1.877 -5.948 -1.922) 6.526 7.450 ( 1.877 -5.948 1.922) 6.526 8.141 ( 1.067 2.311 -1.467) 2.938 8.141 ( 1.067 2.311 1.467) 2.938 8.302 ( 0.514 0.265 -2.121) 2.199 8.302 ( 0.514 0.265 2.121) 2.199 8.386 ( -7.125 -1.403 -3.230) 7.948 8.386 ( -7.125 -1.403 3.230) 7.948 8.486 ( -2.260 -1.105 -2.589) 3.610 8.486 ( -2.260 -1.105 2.589) 3.610 8.747 ( 8.188 3.716 -1.718) 9.154 8.747 ( 8.188 3.716 1.718) 9.154 9.145 ( -4.776 4.965 -1.885) 7.142 9.145 ( -4.776 4.965 1.886) 7.142 9.633 ( 3.297 1.785 -0.908) 3.858 9.633 ( 3.297 1.785 0.908) 3.858 9.742 ( 3.460 -0.574 -3.613) 5.036 9.742 ( 3.460 -0.574 3.613) 5.036 9.840 ( -1.373 -3.210 -1.956) 4.002 9.840 ( -1.373 -3.210 1.956) 4.002 10.081 ( -3.786 -2.879 -6.156) 7.779 10.081 ( -3.786 -2.879 6.156) 7.779 10.542 ( 0.651 -0.876 -1.607) 1.943 10.542 ( 0.651 -0.876 1.607) 1.943 10.564 ( 0.415 0.807 -1.756) 1.977 10.564 ( 0.415 0.807 1.756) 1.977 11.417 ( 3.239 2.795 -2.865) 5.149 11.417 ( 3.239 2.795 2.865) 5.149 11.698 ( -2.523 0.480 -1.310) 2.883 11.698 ( -2.523 0.480 1.310) 2.883 12.337 ( 0.642 1.598 -6.288) 6.519 12.337 ( 0.642 1.598 6.288) 6.519 12.472 ( -2.920 1.133 -3.056) 4.376 12.472 ( -2.920 1.133 3.056) 4.376 13.544 ( 1.404 -2.037 -2.157) 3.282 13.544 ( 1.404 -2.037 2.157) 3.283 13.734 ( -3.361 -4.698 -0.369) 5.788 13.734 ( -3.361 -4.698 0.369) 5.788 14.414 ( 3.638 5.098 -0.857) 6.322 14.414 ( 3.638 5.098 0.857) 6.322 14.582 ( -1.076 2.833 -1.166) 3.247 14.582 ( -1.076 2.833 1.166) 3.247 16.049 ( 0.037 5.857 -1.800) 6.128 16.049 ( 0.037 5.857 1.800) 6.128 16.096 ( -0.621 3.165 -5.145) 6.072 16.096 ( -0.621 3.165 5.145) 6.072 17.633 ( 1.724 0.783 -7.176) 7.422 17.633 ( 1.724 0.783 7.176) 7.422 17.833 ( -2.126 -6.276 -8.004) 10.391 17.833 ( -2.126 -6.276 8.004) 10.391 20.168 ( 2.031 1.939 -1.007) 2.983 20.168 ( 2.031 1.939 1.007) 2.983 20.359 ( -1.974 -3.296 -1.185) 4.020 20.359 ( -1.974 -3.296 1.185) 4.020 22.679 ( -0.039 -1.442 -0.230) 1.460 22.679 ( -0.039 -1.442 0.230) 1.460 22.710 ( 0.741 -3.341 -0.182) 3.427 22.710 ( 0.741 -3.341 0.182) 3.427 ======================= Grid point 194 (63/63) ======================= q-point: ( 0.40 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 2.824 4.214 -1.373) 5.255 2.474 ( 2.824 4.214 1.373) 5.255 2.586 ( -3.681 -0.379 -1.331) 3.933 2.586 ( -3.681 -0.379 1.331) 3.933 2.867 ( 7.561 1.654 -1.285) 7.846 2.867 ( 7.561 1.655 1.285) 7.846 3.030 ( -7.509 0.337 -0.973) 7.579 3.030 ( -7.509 0.337 0.973) 7.579 3.354 ( 0.962 6.622 -0.690) 6.727 3.354 ( 0.962 6.622 0.690) 6.727 3.476 ( 2.159 -4.210 -0.785) 4.796 3.476 ( 2.159 -4.210 0.785) 4.796 3.621 ( -0.587 10.665 -0.250) 10.684 3.621 ( -0.587 10.665 0.250) 10.684 3.844 ( -3.598 -9.171 -1.273) 9.933 3.844 ( -3.598 -9.171 1.273) 9.933 4.307 ( 4.143 -1.382 -1.294) 4.555 4.307 ( 4.143 -1.382 1.294) 4.555 4.367 ( -2.089 -1.718 -3.948) 4.786 4.367 ( -2.089 -1.718 3.948) 4.786 5.195 ( 6.190 3.746 -0.274) 7.240 5.195 ( 6.190 3.746 0.274) 7.240 5.308 ( -5.381 3.551 -0.584) 6.473 5.308 ( -5.381 3.551 0.584) 6.473 5.540 ( -0.157 4.541 -1.151) 4.688 5.540 ( -0.157 4.541 1.151) 4.688 5.562 ( -1.975 2.559 -1.332) 3.496 5.562 ( -1.975 2.559 1.332) 3.496 6.449 ( 3.213 7.341 -1.707) 8.193 6.449 ( 3.213 7.341 1.707) 8.193 6.549 ( -3.459 5.078 -2.471) 6.623 6.549 ( -3.459 5.078 2.471) 6.623 6.924 ( 6.717 -0.480 -0.631) 6.764 6.924 ( 6.717 -0.480 0.631) 6.764 7.039 ( -5.091 -0.563 -0.915) 5.203 7.039 ( -5.091 -0.563 0.915) 5.203 7.338 ( 2.188 4.836 -4.056) 6.680 7.338 ( 2.188 4.836 4.056) 6.680 7.463 ( -0.432 -4.339 -1.976) 4.787 7.463 ( -0.432 -4.339 1.976) 4.787 8.174 ( 2.850 -0.391 -1.880) 3.436 8.174 ( 2.850 -0.391 1.880) 3.436 8.259 ( -5.915 -1.280 -2.506) 6.551 8.259 ( -5.915 -1.280 2.506) 6.551 8.327 ( 1.487 3.902 -1.207) 4.347 8.327 ( 1.487 3.902 1.207) 4.347 8.446 ( -1.852 -2.688 -1.471) 3.580 8.446 ( -1.852 -2.688 1.471) 3.580 8.891 ( 7.134 5.528 -1.503) 9.149 8.891 ( 7.134 5.528 1.503) 9.149 9.040 ( -6.144 3.566 -1.519) 7.265 9.040 ( -6.144 3.566 1.519) 7.265 9.697 ( 3.129 1.674 -0.506) 3.584 9.697 ( 3.129 1.674 0.506) 3.584 9.771 ( -1.702 -0.585 -2.407) 3.006 9.771 ( -1.702 -0.585 2.407) 3.006 9.867 ( 5.580 -4.169 -7.560) 10.279 9.867 ( 5.580 -4.169 7.560) 10.279 9.985 ( -6.309 -3.544 -6.834) 9.954 9.985 ( -6.309 -3.544 6.834) 9.954 10.557 ( 0.812 1.033 -1.512) 2.003 10.557 ( 0.812 1.033 1.512) 2.003 10.568 ( -0.069 0.947 -1.575) 1.839 10.568 ( -0.069 0.947 1.575) 1.839 11.494 ( 4.498 4.255 -2.048) 6.522 11.494 ( 4.498 4.255 2.048) 6.522 11.632 ( -4.158 -0.338 -1.768) 4.531 11.632 ( -4.158 -0.338 1.768) 4.531 12.353 ( 1.036 2.588 -4.169) 5.015 12.353 ( 1.036 2.588 4.169) 5.015 12.417 ( -2.335 -0.098 -3.060) 3.850 12.417 ( -2.335 -0.098 3.060) 3.850 13.580 ( 2.276 -2.084 -1.368) 3.376 13.580 ( 2.276 -2.084 1.368) 3.376 13.666 ( -3.367 -5.789 -0.734) 6.737 13.666 ( -3.367 -5.789 0.734) 6.737 14.488 ( 3.945 4.591 -0.071) 6.054 14.488 ( 3.945 4.591 0.071) 6.054 14.549 ( -2.519 3.586 -0.686) 4.436 14.549 ( -2.519 3.586 0.686) 4.436 16.051 ( 0.202 5.673 -1.677) 5.919 16.051 ( 0.202 5.673 1.677) 5.919 16.084 ( -0.553 3.183 -2.706) 4.215 16.084 ( -0.553 3.183 2.706) 4.215 17.670 ( 1.856 2.054 -4.796) 5.537 17.670 ( 1.856 2.054 4.796) 5.537 17.788 ( -2.106 -6.811 -5.124) 8.780 17.788 ( -2.106 -6.811 5.124) 8.780 20.212 ( 2.294 2.509 -0.742) 3.480 20.212 ( 2.294 2.509 0.742) 3.480 20.315 ( -2.261 -3.917 -0.818) 4.596 20.315 ( -2.261 -3.917 0.818) 4.596 22.680 ( 0.039 -0.440 -0.092) 0.451 22.680 ( 0.039 -0.440 0.092) 0.451 22.721 ( 0.393 -4.651 -0.072) 4.668 22.721 ( 0.393 -4.651 0.072) 4.668 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/24960 10.0 1065.934 1324.773 736.889 0.000 0.000 -0.000 3/24960 20.0 185.819 325.643 150.849 0.000 0.000 -0.000 3/24960 30.0 71.758 137.135 55.932 0.000 0.000 -0.000 3/24960 40.0 38.729 77.259 29.441 0.000 0.000 -0.000 3/24960 50.0 24.784 50.967 18.585 0.000 0.000 -0.000 3/24960 60.0 17.560 36.996 13.054 0.000 0.000 -0.000 3/24960 70.0 13.314 28.607 9.834 0.000 0.000 -0.000 3/24960 80.0 10.593 23.129 7.786 0.000 0.000 -0.000 3/24960 90.0 8.736 19.325 6.397 0.000 0.000 -0.000 3/24960 100.0 7.406 16.558 5.409 0.000 0.000 -0.000 3/24960 110.0 6.416 14.469 4.679 0.000 0.000 -0.000 3/24960 120.0 5.655 12.843 4.123 0.000 0.000 -0.000 3/24960 130.0 5.054 11.547 3.687 0.000 0.000 -0.000 3/24960 140.0 4.570 10.492 3.338 0.000 0.000 -0.000 3/24960 150.0 4.172 9.618 3.053 0.000 0.000 -0.000 3/24960 160.0 3.840 8.882 2.816 0.000 0.000 -0.000 3/24960 170.0 3.559 8.256 2.617 0.000 0.000 -0.000 3/24960 180.0 3.318 7.715 2.447 0.000 0.000 -0.000 3/24960 190.0 3.109 7.245 2.300 0.000 0.000 -0.000 3/24960 200.0 2.926 6.832 2.171 0.000 0.000 -0.000 3/24960 210.0 2.765 6.466 2.058 0.000 0.000 -0.000 3/24960 220.0 2.621 6.139 1.957 0.000 0.000 -0.000 3/24960 230.0 2.493 5.846 1.867 0.000 0.000 -0.000 3/24960 240.0 2.377 5.581 1.785 0.000 0.000 -0.000 3/24960 250.0 2.272 5.341 1.711 0.000 0.000 -0.000 3/24960 260.0 2.177 5.121 1.644 0.000 0.000 -0.000 3/24960 270.0 2.089 4.921 1.582 0.000 0.000 -0.000 3/24960 280.0 2.009 4.736 1.525 0.000 0.000 -0.000 3/24960 290.0 1.935 4.565 1.472 0.000 0.000 -0.000 3/24960 300.0 1.867 4.407 1.423 0.000 0.000 -0.000 3/24960 310.0 1.804 4.260 1.377 0.000 0.000 -0.000 3/24960 320.0 1.744 4.123 1.335 0.000 0.000 -0.000 3/24960 330.0 1.689 3.995 1.295 0.000 0.000 -0.000 3/24960 340.0 1.638 3.875 1.257 0.000 0.000 -0.000 3/24960 350.0 1.589 3.762 1.222 0.000 0.000 -0.000 3/24960 360.0 1.544 3.656 1.189 0.000 0.000 -0.000 3/24960 370.0 1.501 3.556 1.157 0.000 0.000 -0.000 3/24960 380.0 1.460 3.462 1.128 0.000 0.000 -0.000 3/24960 390.0 1.422 3.372 1.099 0.000 0.000 -0.000 3/24960 400.0 1.385 3.288 1.073 0.000 0.000 -0.000 3/24960 410.0 1.351 3.207 1.047 0.000 0.000 -0.000 3/24960 420.0 1.318 3.130 1.023 0.000 0.000 -0.000 3/24960 430.0 1.287 3.058 1.000 0.000 0.000 -0.000 3/24960 440.0 1.257 2.988 0.977 0.000 0.000 -0.000 3/24960 450.0 1.229 2.922 0.956 0.000 0.000 -0.000 3/24960 460.0 1.202 2.858 0.936 0.000 0.000 -0.000 3/24960 470.0 1.176 2.798 0.917 0.000 0.000 -0.000 3/24960 480.0 1.152 2.740 0.898 0.000 0.000 -0.000 3/24960 490.0 1.128 2.684 0.880 0.000 0.000 -0.000 3/24960 500.0 1.105 2.631 0.863 0.000 0.000 -0.000 3/24960 510.0 1.083 2.579 0.847 0.000 0.000 -0.000 3/24960 520.0 1.062 2.530 0.831 0.000 0.000 -0.000 3/24960 530.0 1.042 2.482 0.815 0.000 0.000 -0.000 3/24960 540.0 1.023 2.437 0.801 0.000 0.000 -0.000 3/24960 550.0 1.004 2.393 0.786 0.000 0.000 -0.000 3/24960 560.0 0.986 2.350 0.773 0.000 0.000 -0.000 3/24960 570.0 0.969 2.309 0.759 0.000 0.000 -0.000 3/24960 580.0 0.952 2.270 0.747 0.000 0.000 -0.000 3/24960 590.0 0.936 2.232 0.734 0.000 0.000 -0.000 3/24960 600.0 0.920 2.195 0.722 0.000 0.000 -0.000 3/24960 610.0 0.905 2.159 0.711 0.000 0.000 -0.000 3/24960 620.0 0.890 2.124 0.700 0.000 0.000 -0.000 3/24960 630.0 0.876 2.091 0.689 0.000 0.000 -0.000 3/24960 640.0 0.863 2.059 0.678 0.000 0.000 -0.000 3/24960 650.0 0.849 2.027 0.668 0.000 0.000 -0.000 3/24960 660.0 0.836 1.997 0.658 0.000 0.000 -0.000 3/24960 670.0 0.824 1.967 0.648 0.000 0.000 -0.000 3/24960 680.0 0.812 1.938 0.639 0.000 0.000 -0.000 3/24960 690.0 0.800 1.911 0.630 0.000 0.000 -0.000 3/24960 700.0 0.789 1.883 0.621 0.000 0.000 -0.000 3/24960 710.0 0.777 1.857 0.612 0.000 0.000 -0.000 3/24960 720.0 0.767 1.832 0.604 0.000 0.000 -0.000 3/24960 730.0 0.756 1.807 0.596 0.000 0.000 -0.000 3/24960 740.0 0.746 1.782 0.588 0.000 0.000 -0.000 3/24960 750.0 0.736 1.759 0.580 0.000 0.000 -0.000 3/24960 760.0 0.726 1.736 0.573 0.000 0.000 -0.000 3/24960 770.0 0.717 1.713 0.566 0.000 0.000 -0.000 3/24960 780.0 0.708 1.692 0.558 0.000 0.000 -0.000 3/24960 790.0 0.699 1.670 0.551 0.000 0.000 -0.000 3/24960 800.0 0.690 1.650 0.545 0.000 0.000 -0.000 3/24960 810.0 0.682 1.629 0.538 0.000 0.000 -0.000 3/24960 820.0 0.673 1.610 0.532 0.000 0.000 -0.000 3/24960 830.0 0.665 1.590 0.525 0.000 0.000 -0.000 3/24960 840.0 0.657 1.572 0.519 0.000 0.000 -0.000 3/24960 850.0 0.650 1.553 0.513 0.000 0.000 -0.000 3/24960 860.0 0.642 1.535 0.507 0.000 0.000 -0.000 3/24960 870.0 0.635 1.518 0.501 0.000 0.000 -0.000 3/24960 880.0 0.627 1.501 0.496 0.000 0.000 -0.000 3/24960 890.0 0.620 1.484 0.490 0.000 0.000 -0.000 3/24960 900.0 0.613 1.468 0.485 0.000 0.000 -0.000 3/24960 910.0 0.607 1.452 0.480 0.000 0.000 -0.000 3/24960 920.0 0.600 1.436 0.475 0.000 0.000 -0.000 3/24960 930.0 0.594 1.421 0.469 0.000 0.000 -0.000 3/24960 940.0 0.587 1.406 0.465 0.000 0.000 -0.000 3/24960 950.0 0.581 1.391 0.460 0.000 0.000 -0.000 3/24960 960.0 0.575 1.376 0.455 0.000 0.000 -0.000 3/24960 970.0 0.569 1.362 0.450 0.000 0.000 -0.000 3/24960 980.0 0.563 1.348 0.446 0.000 0.000 -0.000 3/24960 990.0 0.558 1.335 0.441 0.000 0.000 -0.000 3/24960 1000.0 0.552 1.322 0.437 0.000 0.000 -0.000 3/24960 Thermal conductivity related properties were written into "kappa-m5134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:13:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|