----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:58:49]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.481032591419662 -3.006605724999999 0.000000000000000 b 12.481032591419662 3.006605724999999 0.000000000000000 c -7.317472596359935 0.000000000000000 12.439646239674882 Atomic positions (fractional): *1 K 0.62547499420915 0.76455650979991 0.60490017597109 39.098 2 K 0.37452500579085 0.23544349020009 0.39509982402891 39.098 3 K 0.76455650979991 0.62547499420915 0.10490017597109 39.098 *4 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 5 K 0.23544349020009 0.37452500579085 0.89509982402891 39.098 6 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 *7 Ta 0.42733861075287 0.82911234978643 0.27982974427757 180.948 8 Ta 0.82911234978643 0.42733861075287 0.77982974427757 180.948 9 Ta 0.17088765021357 0.57266138924713 0.22017025572243 180.948 10 Ta 0.57266138924713 0.17088765021357 0.72017025572243 180.948 *11 Ag 0.29416660852412 0.70583339147588 0.25000000000000 107.868 *12 Ag 0.33002976409720 0.92769254422385 0.78560600152386 107.868 13 Ag 0.70583339147588 0.29416660852412 0.75000000000000 107.868 14 Ag 0.92769254422385 0.33002976409721 0.28560600152386 107.868 15 Ag 0.07230745577615 0.66997023590280 0.71439399847614 107.868 16 Ag 0.66997023590280 0.07230745577615 0.21439399847614 107.868 *17 Se 0.30010249551430 0.26495912547055 0.10123260244718 78.960 *18 Se 0.48262590128276 0.43249107140870 0.35278186848798 78.960 *19 Se 0.98013464008621 0.82057600462702 0.10913686585507 78.960 20 Se 0.51737409871724 0.56750892859130 0.64721813151202 78.960 21 Se 0.82057600462702 0.98013464008621 0.60913686585507 78.960 *22 Se 0.77088935322903 0.91127054864557 0.82299113368376 78.960 23 Se 0.26495912547055 0.30010249551430 0.60123260244718 78.960 24 Se 0.56750892859130 0.51737409871724 0.14721813151202 78.960 25 Se 0.43249107140870 0.48262590128276 0.85278186848798 78.960 26 Se 0.73504087452945 0.69989750448570 0.39876739755282 78.960 27 Se 0.08872945135443 0.22911064677097 0.67700886631624 78.960 28 Se 0.01986535991379 0.17942399537298 0.89086313414493 78.960 29 Se 0.69989750448570 0.73504087452945 0.89876739755282 78.960 30 Se 0.17942399537298 0.01986535991379 0.39086313414493 78.960 31 Se 0.22911064677097 0.08872945135443 0.17700886631624 78.960 32 Se 0.91127054864557 0.77088935322903 0.32299113368376 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 24.962065182839325 0.000000000000000 0.000000000000000 b 0.000000000000000 6.013211449999998 0.000000000000000 c -7.317472596359935 0.000000000000000 12.439646239674882 Atomic positions (fractional): *1 K 0.19501575200453 0.56954075779538 0.60490017597109 39.098 > 1 2 K 0.80498424799547 0.43045924220462 0.39509982402891 39.098 > 2 3 K 0.69501575200453 0.93045924220462 0.10490017597109 39.098 > 3 *4 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 4 5 K 0.30498424799547 0.06954075779538 0.89509982402891 39.098 > 5 6 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 6 7 K 0.69501575200453 0.06954075779538 0.60490017597109 39.098 > 1 8 K 0.30498424799547 0.93045924220462 0.39509982402891 39.098 > 2 9 K 0.19501575200453 0.43045924220462 0.10490017597109 39.098 > 3 10 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 4 11 K 0.80498424799547 0.56954075779538 0.89509982402891 39.098 > 5 12 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 6 *13 Ta 0.12822548026965 0.70088686951678 0.27982974427757 180.948 > 7 14 Ta 0.12822548026965 0.29911313048322 0.77982974427757 180.948 > 8 15 Ta 0.87177451973035 0.70088686951678 0.22017025572243 180.948 > 9 16 Ta 0.87177451973035 0.29911313048322 0.72017025572243 180.948 > 10 17 Ta 0.62822548026965 0.20088686951678 0.27982974427757 180.948 > 7 18 Ta 0.62822548026965 0.79911313048322 0.77982974427757 180.948 > 8 19 Ta 0.37177451973035 0.20088686951678 0.22017025572243 180.948 > 9 20 Ta 0.37177451973035 0.79911313048322 0.72017025572243 180.948 > 10 *21 Ag 0.00000000000000 0.70583339147588 0.25000000000000 107.868 > 11 *22 Ag 0.12886115416053 0.79883139006332 0.78560600152386 107.868 > 12 23 Ag 0.00000000000000 0.29416660852412 0.75000000000000 107.868 > 13 24 Ag 0.12886115416053 0.20116860993668 0.28560600152386 107.868 > 14 25 Ag 0.87113884583947 0.79883139006332 0.71439399847614 107.868 > 15 26 Ag 0.87113884583947 0.20116860993668 0.21439399847614 107.868 > 16 27 Ag 0.50000000000000 0.20583339147588 0.25000000000000 107.868 > 11 28 Ag 0.62886115416053 0.29883139006332 0.78560600152386 107.868 > 12 29 Ag 0.50000000000000 0.79416660852412 0.75000000000000 107.868 > 13 30 Ag 0.62886115416053 0.70116860993668 0.28560600152386 107.868 > 14 31 Ag 0.37113884583947 0.29883139006332 0.71439399847614 107.868 > 15 32 Ag 0.37113884583947 0.70116860993668 0.21439399847614 107.868 > 16 *33 Se 0.78253081049242 0.48242831497812 0.10123260244718 78.960 > 17 *34 Se 0.95755848634573 0.47493258506297 0.35278186848798 78.960 > 18 *35 Se 0.90035532235661 0.92022068227040 0.10913686585507 78.960 > 19 36 Se 0.04244151365427 0.52506741493703 0.64721813151202 78.960 > 20 37 Se 0.90035532235661 0.07977931772959 0.60913686585507 78.960 > 21 *38 Se 0.34107995093730 0.57019059770827 0.82299113368376 78.960 > 22 39 Se 0.28253081049242 0.01757168502188 0.60123260244718 78.960 > 23 40 Se 0.04244151365427 0.47493258506297 0.14721813151202 78.960 > 24 41 Se 0.95755848634573 0.52506741493703 0.85278186848798 78.960 > 25 42 Se 0.71746918950758 0.98242831497812 0.39876739755282 78.960 > 26 43 Se 0.15892004906270 0.07019059770827 0.67700886631624 78.960 > 27 44 Se 0.09964467764339 0.07977931772959 0.89086313414493 78.960 > 28 45 Se 0.21746918950758 0.51757168502188 0.89876739755282 78.960 > 29 46 Se 0.09964467764339 0.92022068227040 0.39086313414493 78.960 > 30 47 Se 0.65892004906270 0.42980940229173 0.17700886631624 78.960 > 31 48 Se 0.84107995093730 0.92980940229173 0.32299113368376 78.960 > 32 49 Se 0.28253081049242 0.98242831497812 0.10123260244718 78.960 > 17 50 Se 0.45755848634573 0.97493258506297 0.35278186848798 78.960 > 18 51 Se 0.40035532235661 0.42022068227040 0.10913686585507 78.960 > 19 52 Se 0.54244151365427 0.02506741493703 0.64721813151202 78.960 > 20 53 Se 0.40035532235661 0.57977931772960 0.60913686585507 78.960 > 21 54 Se 0.84107995093730 0.07019059770827 0.82299113368376 78.960 > 22 55 Se 0.78253081049242 0.51757168502188 0.60123260244718 78.960 > 23 56 Se 0.54244151365427 0.97493258506297 0.14721813151202 78.960 > 24 57 Se 0.45755848634573 0.02506741493703 0.85278186848798 78.960 > 25 58 Se 0.21746918950758 0.48242831497812 0.39876739755282 78.960 > 26 59 Se 0.65892004906270 0.57019059770827 0.67700886631624 78.960 > 27 60 Se 0.59964467764339 0.57977931772960 0.89086313414493 78.960 > 28 61 Se 0.71746918950758 0.01757168502188 0.89876739755282 78.960 > 29 62 Se 0.59964467764339 0.42022068227040 0.39086313414493 78.960 > 30 63 Se 0.15892004906270 0.92980940229173 0.17700886631624 78.960 > 31 64 Se 0.34107995093730 0.42980940229173 0.32299113368376 78.960 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 24.962065182839325 0.000000000000000 0.000000000000000 b 0.000000000000000 12.026422899999996 0.000000000000000 c -7.317472596359935 0.000000000000000 12.439646239674882 Atomic positions (fractional): *1 K 0.19501575200453 0.28477037889769 0.60490017597109 39.098 > 1 2 K 0.19501575200453 0.78477037889769 0.60490017597109 39.098 > 1 3 K 0.80498424799547 0.21522962110231 0.39509982402891 39.098 > 2 4 K 0.80498424799547 0.71522962110231 0.39509982402891 39.098 > 2 5 K 0.69501575200453 0.46522962110231 0.10490017597109 39.098 > 3 6 K 0.69501575200453 0.96522962110231 0.10490017597109 39.098 > 3 *7 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 4 8 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 4 9 K 0.30498424799547 0.03477037889769 0.89509982402891 39.098 > 5 10 K 0.30498424799547 0.53477037889769 0.89509982402891 39.098 > 5 11 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 6 12 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 6 13 K 0.69501575200453 0.03477037889769 0.60490017597109 39.098 > 1 14 K 0.69501575200453 0.53477037889769 0.60490017597109 39.098 > 1 15 K 0.30498424799547 0.46522962110231 0.39509982402891 39.098 > 2 16 K 0.30498424799547 0.96522962110231 0.39509982402891 39.098 > 2 17 K 0.19501575200453 0.21522962110231 0.10490017597109 39.098 > 3 18 K 0.19501575200453 0.71522962110231 0.10490017597109 39.098 > 3 19 K 0.50000000000000 0.25000000000000 0.50000000000000 39.098 > 4 20 K 0.50000000000000 0.75000000000000 0.50000000000000 39.098 > 4 21 K 0.80498424799547 0.28477037889769 0.89509982402891 39.098 > 5 22 K 0.80498424799547 0.78477037889769 0.89509982402891 39.098 > 5 23 K 0.50000000000000 0.25000000000000 0.00000000000000 39.098 > 6 24 K 0.50000000000000 0.75000000000000 0.00000000000000 39.098 > 6 *25 Ta 0.12822548026965 0.35044343475839 0.27982974427757 180.948 > 7 26 Ta 0.12822548026965 0.85044343475839 0.27982974427757 180.948 > 7 27 Ta 0.12822548026965 0.14955656524161 0.77982974427757 180.948 > 8 28 Ta 0.12822548026965 0.64955656524161 0.77982974427757 180.948 > 8 29 Ta 0.87177451973035 0.35044343475839 0.22017025572243 180.948 > 9 30 Ta 0.87177451973035 0.85044343475839 0.22017025572243 180.948 > 9 31 Ta 0.87177451973035 0.14955656524161 0.72017025572243 180.948 > 10 32 Ta 0.87177451973035 0.64955656524161 0.72017025572243 180.948 > 10 33 Ta 0.62822548026965 0.10044343475839 0.27982974427757 180.948 > 7 34 Ta 0.62822548026965 0.60044343475839 0.27982974427757 180.948 > 7 35 Ta 0.62822548026965 0.39955656524161 0.77982974427757 180.948 > 8 36 Ta 0.62822548026965 0.89955656524161 0.77982974427757 180.948 > 8 37 Ta 0.37177451973035 0.10044343475839 0.22017025572243 180.948 > 9 38 Ta 0.37177451973035 0.60044343475839 0.22017025572243 180.948 > 9 39 Ta 0.37177451973035 0.39955656524161 0.72017025572243 180.948 > 10 40 Ta 0.37177451973035 0.89955656524161 0.72017025572243 180.948 > 10 *41 Ag 0.00000000000000 0.35291669573794 0.25000000000000 107.868 > 11 42 Ag 0.00000000000000 0.85291669573794 0.25000000000000 107.868 > 11 *43 Ag 0.12886115416053 0.39941569503166 0.78560600152386 107.868 > 12 44 Ag 0.12886115416053 0.89941569503166 0.78560600152386 107.868 > 12 45 Ag 0.00000000000000 0.14708330426206 0.75000000000000 107.868 > 13 46 Ag 0.00000000000000 0.64708330426206 0.75000000000000 107.868 > 13 47 Ag 0.12886115416053 0.10058430496834 0.28560600152386 107.868 > 14 48 Ag 0.12886115416053 0.60058430496834 0.28560600152386 107.868 > 14 49 Ag 0.87113884583947 0.39941569503166 0.71439399847614 107.868 > 15 50 Ag 0.87113884583947 0.89941569503166 0.71439399847614 107.868 > 15 51 Ag 0.87113884583947 0.10058430496834 0.21439399847614 107.868 > 16 52 Ag 0.87113884583947 0.60058430496834 0.21439399847614 107.868 > 16 53 Ag 0.50000000000000 0.10291669573794 0.25000000000000 107.868 > 11 54 Ag 0.50000000000000 0.60291669573794 0.25000000000000 107.868 > 11 55 Ag 0.62886115416053 0.14941569503166 0.78560600152386 107.868 > 12 56 Ag 0.62886115416053 0.64941569503166 0.78560600152386 107.868 > 12 57 Ag 0.50000000000000 0.39708330426206 0.75000000000000 107.868 > 13 58 Ag 0.50000000000000 0.89708330426206 0.75000000000000 107.868 > 13 59 Ag 0.62886115416053 0.35058430496834 0.28560600152386 107.868 > 14 60 Ag 0.62886115416053 0.85058430496834 0.28560600152386 107.868 > 14 61 Ag 0.37113884583947 0.14941569503166 0.71439399847614 107.868 > 15 62 Ag 0.37113884583947 0.64941569503166 0.71439399847614 107.868 > 15 63 Ag 0.37113884583947 0.35058430496834 0.21439399847614 107.868 > 16 64 Ag 0.37113884583947 0.85058430496834 0.21439399847614 107.868 > 16 *65 Se 0.78253081049242 0.24121415748906 0.10123260244718 78.960 > 17 66 Se 0.78253081049242 0.74121415748906 0.10123260244718 78.960 > 17 *67 Se 0.95755848634573 0.23746629253148 0.35278186848798 78.960 > 18 68 Se 0.95755848634573 0.73746629253148 0.35278186848798 78.960 > 18 *69 Se 0.90035532235661 0.46011034113520 0.10913686585507 78.960 > 19 70 Se 0.90035532235661 0.96011034113520 0.10913686585507 78.960 > 19 71 Se 0.04244151365427 0.26253370746852 0.64721813151202 78.960 > 20 72 Se 0.04244151365427 0.76253370746852 0.64721813151202 78.960 > 20 73 Se 0.90035532235661 0.03988965886480 0.60913686585507 78.960 > 21 74 Se 0.90035532235661 0.53988965886480 0.60913686585507 78.960 > 21 *75 Se 0.34107995093730 0.28509529885413 0.82299113368376 78.960 > 22 76 Se 0.34107995093730 0.78509529885413 0.82299113368376 78.960 > 22 77 Se 0.28253081049242 0.00878584251094 0.60123260244718 78.960 > 23 78 Se 0.28253081049242 0.50878584251094 0.60123260244718 78.960 > 23 79 Se 0.04244151365427 0.23746629253148 0.14721813151202 78.960 > 24 80 Se 0.04244151365427 0.73746629253148 0.14721813151202 78.960 > 24 81 Se 0.95755848634573 0.26253370746852 0.85278186848798 78.960 > 25 82 Se 0.95755848634573 0.76253370746852 0.85278186848798 78.960 > 25 83 Se 0.71746918950758 0.49121415748906 0.39876739755282 78.960 > 26 84 Se 0.71746918950758 0.99121415748906 0.39876739755282 78.960 > 26 85 Se 0.15892004906270 0.03509529885414 0.67700886631624 78.960 > 27 86 Se 0.15892004906270 0.53509529885413 0.67700886631624 78.960 > 27 87 Se 0.09964467764339 0.03988965886480 0.89086313414493 78.960 > 28 88 Se 0.09964467764339 0.53988965886480 0.89086313414493 78.960 > 28 89 Se 0.21746918950758 0.25878584251094 0.89876739755282 78.960 > 29 90 Se 0.21746918950758 0.75878584251094 0.89876739755282 78.960 > 29 91 Se 0.09964467764339 0.46011034113520 0.39086313414493 78.960 > 30 92 Se 0.09964467764339 0.96011034113520 0.39086313414493 78.960 > 30 93 Se 0.65892004906270 0.21490470114586 0.17700886631624 78.960 > 31 94 Se 0.65892004906270 0.71490470114587 0.17700886631624 78.960 > 31 95 Se 0.84107995093730 0.46490470114587 0.32299113368376 78.960 > 32 96 Se 0.84107995093730 0.96490470114587 0.32299113368376 78.960 > 32 97 Se 0.28253081049242 0.49121415748906 0.10123260244718 78.960 > 17 98 Se 0.28253081049242 0.99121415748906 0.10123260244718 78.960 > 17 99 Se 0.45755848634573 0.48746629253148 0.35278186848798 78.960 > 18 100 Se 0.45755848634573 0.98746629253148 0.35278186848798 78.960 > 18 101 Se 0.40035532235661 0.21011034113520 0.10913686585507 78.960 > 19 102 Se 0.40035532235661 0.71011034113520 0.10913686585507 78.960 > 19 103 Se 0.54244151365427 0.01253370746852 0.64721813151202 78.960 > 20 104 Se 0.54244151365427 0.51253370746852 0.64721813151202 78.960 > 20 105 Se 0.40035532235661 0.28988965886480 0.60913686585507 78.960 > 21 106 Se 0.40035532235661 0.78988965886480 0.60913686585507 78.960 > 21 107 Se 0.84107995093730 0.03509529885414 0.82299113368376 78.960 > 22 108 Se 0.84107995093730 0.53509529885413 0.82299113368376 78.960 > 22 109 Se 0.78253081049242 0.25878584251094 0.60123260244718 78.960 > 23 110 Se 0.78253081049242 0.75878584251094 0.60123260244718 78.960 > 23 111 Se 0.54244151365427 0.48746629253148 0.14721813151202 78.960 > 24 112 Se 0.54244151365427 0.98746629253148 0.14721813151202 78.960 > 24 113 Se 0.45755848634573 0.01253370746852 0.85278186848798 78.960 > 25 114 Se 0.45755848634573 0.51253370746852 0.85278186848798 78.960 > 25 115 Se 0.21746918950758 0.24121415748906 0.39876739755282 78.960 > 26 116 Se 0.21746918950758 0.74121415748906 0.39876739755282 78.960 > 26 117 Se 0.65892004906270 0.28509529885413 0.67700886631624 78.960 > 27 118 Se 0.65892004906270 0.78509529885413 0.67700886631624 78.960 > 27 119 Se 0.59964467764339 0.28988965886480 0.89086313414493 78.960 > 28 120 Se 0.59964467764339 0.78988965886480 0.89086313414493 78.960 > 28 121 Se 0.71746918950758 0.00878584251094 0.89876739755282 78.960 > 29 122 Se 0.71746918950758 0.50878584251094 0.89876739755282 78.960 > 29 123 Se 0.59964467764339 0.21011034113520 0.39086313414493 78.960 > 30 124 Se 0.59964467764339 0.71011034113520 0.39086313414493 78.960 > 30 125 Se 0.15892004906270 0.46490470114587 0.17700886631624 78.960 > 31 126 Se 0.15892004906270 0.96490470114587 0.17700886631624 78.960 > 31 127 Se 0.34107995093730 0.21490470114586 0.32299113368376 78.960 > 32 128 Se 0.34107995093730 0.71490470114587 0.32299113368376 78.960 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3346572 0.0000000 0.1558611 0.0000000 5.7879623 0.0000000 0.1558567 0.0000000 4.7104468 -------------------------- Born effective charges -------------------------- 1 K 1.4236086 0.0736725 -0.0973196 0.0731973 1.2254904 -0.0346818 -0.1250824 -0.0376452 1.3598659 2 K 1.4236086 0.0736725 -0.0973196 0.0731973 1.2254904 -0.0346818 -0.1250824 -0.0376452 1.3598659 3 K 1.4236086 -0.0736725 -0.0973196 -0.0731973 1.2254904 0.0346818 -0.1250824 0.0376452 1.3598659 4 K 1.1619356 -0.0493054 -0.0059424 -0.0477057 1.3547362 0.0570978 -0.0149574 0.0378586 1.7119006 5 K 1.4236086 -0.0736725 -0.0973196 -0.0731973 1.2254904 0.0346818 -0.1250824 0.0376452 1.3598659 6 K 1.1619356 0.0493054 -0.0059424 0.0477057 1.3547362 -0.0570978 -0.0149574 -0.0378586 1.7119006 7 Ta 1.8720670 -0.0451922 0.2423272 0.1052518 2.7429769 -0.5305509 0.1451164 -0.1220005 0.8882314 8 Ta 1.8720670 0.0451922 0.2423272 -0.1052518 2.7429769 0.5305509 0.1451164 0.1220005 0.8882314 9 Ta 1.8720670 0.0451922 0.2423272 -0.1052518 2.7429769 0.5305509 0.1451164 0.1220005 0.8882314 10 Ta 1.8720670 -0.0451922 0.2423272 0.1052518 2.7429769 -0.5305509 0.1451164 -0.1220005 0.8882314 11 Ag 0.3143181 0.0000000 0.0688139 0.0000000 0.4946230 -0.0000000 0.0311094 0.0000000 0.4242592 12 Ag 0.4949748 -0.0274706 -0.0108351 -0.0091745 0.3483043 0.0332714 0.0318095 0.0130100 0.4018260 13 Ag 0.3143181 0.0000000 0.0688139 0.0000000 0.4946230 -0.0000000 0.0311094 0.0000000 0.4242592 14 Ag 0.4949748 0.0274706 -0.0108351 0.0091745 0.3483043 -0.0332714 0.0318095 -0.0130100 0.4018260 15 Ag 0.4949748 0.0274706 -0.0108351 0.0091745 0.3483043 -0.0332714 0.0318095 -0.0130100 0.4018260 16 Ag 0.4949748 -0.0274706 -0.0108351 -0.0091745 0.3483043 0.0332714 0.0318095 0.0130100 0.4018260 17 Se -1.0750033 -0.4116279 -0.8737184 -0.7212906 -1.3466150 -0.9013209 -0.5669846 -0.2906260 -1.0303399 18 Se -0.9005671 0.2756926 -0.8243604 0.2845995 -1.3056198 0.9135366 -0.4241554 0.4895349 -1.0695633 19 Se -1.2862921 -0.3752585 0.7893834 -0.4951266 -0.9921508 0.6846696 0.4098094 0.2927451 -0.7955865 20 Se -0.9005671 0.2756926 -0.8243604 0.2845995 -1.3056198 0.9135366 -0.4241554 0.4895349 -1.0695633 21 Se -1.2862921 0.3752585 0.7893834 0.4951266 -0.9921508 -0.6846696 0.4098094 -0.2927451 -0.7955865 22 Se -1.2669147 -0.4033921 0.7430871 -0.8694531 -1.5970655 0.7826686 0.5214112 0.3181897 -0.8225135 23 Se -1.0750033 0.4116279 -0.8737184 0.7212906 -1.3466150 0.9013209 -0.5669846 0.2906260 -1.0303399 24 Se -0.9005671 -0.2756926 -0.8243604 -0.2845995 -1.3056198 -0.9135366 -0.4241554 -0.4895349 -1.0695633 25 Se -0.9005671 -0.2756926 -0.8243604 -0.2845995 -1.3056198 -0.9135366 -0.4241554 -0.4895349 -1.0695633 26 Se -1.0750033 0.4116279 -0.8737184 0.7212906 -1.3466150 0.9013209 -0.5669846 0.2906260 -1.0303399 27 Se -1.2669147 0.4033921 0.7430871 0.8694531 -1.5970655 -0.7826686 0.5214112 -0.3181897 -0.8225135 28 Se -1.2862921 -0.3752585 0.7893834 -0.4951266 -0.9921508 0.6846696 0.4098094 0.2927451 -0.7955865 29 Se -1.0750033 -0.4116279 -0.8737184 -0.7212906 -1.3466150 -0.9013209 -0.5669846 -0.2906260 -1.0303399 30 Se -1.2862921 0.3752585 0.7893834 0.4951266 -0.9921508 -0.6846696 0.4098094 -0.2927451 -0.7955865 31 Se -1.2669147 -0.4033921 0.7430871 -0.8694531 -1.5970655 0.7826686 0.5214112 0.3181897 -0.8225135 32 Se -1.2669147 0.4033921 0.7430871 0.8694531 -1.5970655 -0.7826686 0.5214112 -0.3181897 -0.8225135 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 21624/21624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4763 Number of blocks in projector: 4763 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: 1030 Use submatrix version of eigh solver. (1) Block: 500 / 1030 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1030 / 1030 (2) Block: 250 / 530 (2) 237 eigenvectors found. (2) Block: 530 / 530 (2) 269 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1022 Use submatrix version of eigh solver. (1) Block: 500 / 1022 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1022 / 1022 (2) Block: 250 / 522 (2) 236 eigenvectors found. (2) Block: 522 / 522 (2) 260 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1022 Use submatrix version of eigh solver. (1) Block: 500 / 1022 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1022 / 1022 (2) Block: 250 / 522 (2) 236 eigenvectors found. (2) Block: 522 / 522 (2) 260 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 563 Use submatrix version of eigh solver. (1) Block: 563 / 563 (2) Block: 250 / 563 (2) 241 eigenvectors found. (2) Block: 500 / 563 (2) 241 eigenvectors found. (2) Block: 563 / 563 (2) 55 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 554 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 563 Use submatrix version of eigh solver. (1) Block: 563 / 563 (2) Block: 250 / 563 (2) 241 eigenvectors found. (2) Block: 500 / 563 (2) 241 eigenvectors found. (2) Block: 563 / 563 (2) 55 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 554 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 563 Use submatrix version of eigh solver. (1) Block: 563 / 563 (2) Block: 250 / 563 (2) 241 eigenvectors found. (2) Block: 500 / 563 (2) 241 eigenvectors found. (2) Block: 563 / 563 (2) 55 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 554 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4763, 4687), data: False |-- (563, 554), data: False |-- (563, 554), data: False |-- (563, 17), data: (563, 26) @ (26, 17) |-- (63, 55), data: True |-- (250, 241), data: True |-- (250, 241), data: True |-- (563, 554), data: False |-- (563, 554), data: False |-- (563, 17), data: (563, 26) @ (26, 17) |-- (63, 55), data: True |-- (250, 241), data: True |-- (250, 241), data: True |-- (563, 554), data: False |-- (563, 554), data: False |-- (563, 17), data: (563, 26) @ (26, 17) |-- (63, 55), data: True |-- (250, 241), data: True |-- (250, 241), data: True |-- (1022, 1006), data: False |-- (1022, 14), data: (1022, 30) @ (30, 14) |-- (522, 508), data: False |-- (522, 12), data: (522, 26) @ (26, 12) |-- (272, 260), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1022, 1006), data: False |-- (1022, 14), data: (1022, 30) @ (30, 14) |-- (522, 508), data: False |-- (522, 12), data: (522, 26) @ (26, 12) |-- (272, 260), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1030, 1013), data: False |-- (1030, 14), data: (1030, 31) @ (31, 14) |-- (530, 516), data: False |-- (530, 10), data: (530, 24) @ (24, 10) |-- (280, 269), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.389 Solver_block: 200 / 960 - Time: 1.226 Solver_block: 300 / 960 - Time: 1.230 Solver_block: 400 / 960 - Time: 1.227 Solver_block: 500 / 960 - Time: 1.225 Solver_block: 600 / 960 - Time: 1.229 Solver_block: 700 / 960 - Time: 1.226 Solver_block: 800 / 960 - Time: 1.230 Solver_block: 900 / 960 - Time: 1.229 Solver_block: 960 / 960 - Time: 0.880 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.411 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 21624/21624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4763 Number of blocks in projector: 4763 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: 1030 Use submatrix version of eigh solver. (1) Block: 500 / 1030 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1030 / 1030 (2) Block: 250 / 530 (2) 237 eigenvectors found. (2) Block: 530 / 530 (2) 269 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1022 Use submatrix version of eigh solver. (1) Block: 500 / 1022 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1022 / 1022 (2) Block: 250 / 522 (2) 236 eigenvectors found. (2) Block: 522 / 522 (2) 260 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1022 Use submatrix version of eigh solver. (1) Block: 500 / 1022 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1022 / 1022 (2) Block: 250 / 522 (2) 236 eigenvectors found. (2) Block: 522 / 522 (2) 260 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 563 Use submatrix version of eigh solver. (1) Block: 563 / 563 (2) Block: 250 / 563 (2) 241 eigenvectors found. (2) Block: 500 / 563 (2) 241 eigenvectors found. (2) Block: 563 / 563 (2) 55 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 554 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 563 Use submatrix version of eigh solver. (1) Block: 563 / 563 (2) Block: 250 / 563 (2) 241 eigenvectors found. (2) Block: 500 / 563 (2) 241 eigenvectors found. (2) Block: 563 / 563 (2) 55 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 554 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 563 Use submatrix version of eigh solver. (1) Block: 563 / 563 (2) Block: 250 / 563 (2) 241 eigenvectors found. (2) Block: 500 / 563 (2) 241 eigenvectors found. (2) Block: 563 / 563 (2) 55 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 554 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4763, 4687), data: False |-- (563, 554), data: False |-- (563, 554), data: False |-- (563, 17), data: (563, 26) @ (26, 17) |-- (63, 55), data: True |-- (250, 241), data: True |-- (250, 241), data: True |-- (563, 554), data: False |-- (563, 554), data: False |-- (563, 17), data: (563, 26) @ (26, 17) |-- (63, 55), data: True |-- (250, 241), data: True |-- (250, 241), data: True |-- (563, 554), data: False |-- (563, 554), data: False |-- (563, 17), data: (563, 26) @ (26, 17) |-- (63, 55), data: True |-- (250, 241), data: True |-- (250, 241), data: True |-- (1022, 1006), data: False |-- (1022, 14), data: (1022, 30) @ (30, 14) |-- (522, 508), data: False |-- (522, 12), data: (522, 26) @ (26, 12) |-- (272, 260), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1022, 1006), data: False |-- (1022, 14), data: (1022, 30) @ (30, 14) |-- (522, 508), data: False |-- (522, 12), data: (522, 26) @ (26, 12) |-- (272, 260), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1030, 1013), data: False |-- (1030, 14), data: (1030, 31) @ (31, 14) |-- (530, 516), data: False |-- (530, 10), data: (530, 24) @ (24, 10) |-- (280, 269), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), 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 19:59:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:59:48]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.481032591419662 -3.006605724999999 0.000000000000000 b 12.481032591419662 3.006605724999999 0.000000000000000 c -7.317472596359935 0.000000000000000 12.439646239674882 Atomic positions (fractional): 1 K 0.62547499420915 0.76455650979991 0.60490017597109 39.098 2 K 0.37452500579085 0.23544349020009 0.39509982402891 39.098 3 K 0.76455650979991 0.62547499420915 0.10490017597109 39.098 4 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 5 K 0.23544349020009 0.37452500579085 0.89509982402891 39.098 6 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 7 Ta 0.42733861075287 0.82911234978643 0.27982974427757 180.948 8 Ta 0.82911234978643 0.42733861075287 0.77982974427757 180.948 9 Ta 0.17088765021357 0.57266138924713 0.22017025572243 180.948 10 Ta 0.57266138924713 0.17088765021357 0.72017025572243 180.948 11 Ag 0.29416660852412 0.70583339147588 0.25000000000000 107.868 12 Ag 0.33002976409720 0.92769254422385 0.78560600152386 107.868 13 Ag 0.70583339147588 0.29416660852412 0.75000000000000 107.868 14 Ag 0.92769254422385 0.33002976409721 0.28560600152386 107.868 15 Ag 0.07230745577615 0.66997023590280 0.71439399847614 107.868 16 Ag 0.66997023590280 0.07230745577615 0.21439399847614 107.868 17 Se 0.30010249551430 0.26495912547055 0.10123260244718 78.960 18 Se 0.48262590128276 0.43249107140870 0.35278186848798 78.960 19 Se 0.98013464008621 0.82057600462702 0.10913686585507 78.960 20 Se 0.51737409871724 0.56750892859130 0.64721813151202 78.960 21 Se 0.82057600462702 0.98013464008621 0.60913686585507 78.960 22 Se 0.77088935322903 0.91127054864557 0.82299113368376 78.960 23 Se 0.26495912547055 0.30010249551430 0.60123260244718 78.960 24 Se 0.56750892859130 0.51737409871724 0.14721813151202 78.960 25 Se 0.43249107140870 0.48262590128276 0.85278186848798 78.960 26 Se 0.73504087452945 0.69989750448570 0.39876739755282 78.960 27 Se 0.08872945135443 0.22911064677097 0.67700886631624 78.960 28 Se 0.01986535991379 0.17942399537298 0.89086313414493 78.960 29 Se 0.69989750448570 0.73504087452945 0.89876739755282 78.960 30 Se 0.17942399537298 0.01986535991379 0.39086313414493 78.960 31 Se 0.22911064677097 0.08872945135443 0.17700886631624 78.960 32 Se 0.91127054864557 0.77088935322903 0.32299113368376 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 24.962065182839325 0.000000000000000 0.000000000000000 b 0.000000000000000 12.026422899999996 0.000000000000000 c -7.317472596359935 0.000000000000000 12.439646239674882 Atomic positions (fractional): 1 K 0.19501575200453 0.28477037889769 0.60490017597109 39.098 > 1 2 K 0.19501575200453 0.78477037889769 0.60490017597109 39.098 > 1 3 K 0.80498424799547 0.21522962110231 0.39509982402891 39.098 > 3 4 K 0.80498424799547 0.71522962110231 0.39509982402891 39.098 > 3 5 K 0.69501575200453 0.46522962110231 0.10490017597109 39.098 > 5 6 K 0.69501575200453 0.96522962110231 0.10490017597109 39.098 > 5 7 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 7 8 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 7 9 K 0.30498424799547 0.03477037889769 0.89509982402891 39.098 > 9 10 K 0.30498424799547 0.53477037889769 0.89509982402891 39.098 > 9 11 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 11 12 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 11 13 K 0.69501575200453 0.03477037889769 0.60490017597109 39.098 > 1 14 K 0.69501575200453 0.53477037889769 0.60490017597109 39.098 > 1 15 K 0.30498424799547 0.46522962110231 0.39509982402891 39.098 > 3 16 K 0.30498424799547 0.96522962110231 0.39509982402891 39.098 > 3 17 K 0.19501575200453 0.21522962110231 0.10490017597109 39.098 > 5 18 K 0.19501575200453 0.71522962110231 0.10490017597109 39.098 > 5 19 K 0.50000000000000 0.25000000000000 0.50000000000000 39.098 > 7 20 K 0.50000000000000 0.75000000000000 0.50000000000000 39.098 > 7 21 K 0.80498424799547 0.28477037889769 0.89509982402891 39.098 > 9 22 K 0.80498424799547 0.78477037889769 0.89509982402891 39.098 > 9 23 K 0.50000000000000 0.25000000000000 0.00000000000000 39.098 > 11 24 K 0.50000000000000 0.75000000000000 0.00000000000000 39.098 > 11 25 Ta 0.12822548026965 0.35044343475839 0.27982974427757 180.948 > 25 26 Ta 0.12822548026965 0.85044343475839 0.27982974427757 180.948 > 25 27 Ta 0.12822548026965 0.14955656524161 0.77982974427757 180.948 > 27 28 Ta 0.12822548026965 0.64955656524161 0.77982974427757 180.948 > 27 29 Ta 0.87177451973035 0.35044343475839 0.22017025572243 180.948 > 29 30 Ta 0.87177451973035 0.85044343475839 0.22017025572243 180.948 > 29 31 Ta 0.87177451973035 0.14955656524161 0.72017025572243 180.948 > 31 32 Ta 0.87177451973035 0.64955656524161 0.72017025572243 180.948 > 31 33 Ta 0.62822548026965 0.10044343475839 0.27982974427757 180.948 > 25 34 Ta 0.62822548026965 0.60044343475839 0.27982974427757 180.948 > 25 35 Ta 0.62822548026965 0.39955656524161 0.77982974427757 180.948 > 27 36 Ta 0.62822548026965 0.89955656524161 0.77982974427757 180.948 > 27 37 Ta 0.37177451973035 0.10044343475839 0.22017025572243 180.948 > 29 38 Ta 0.37177451973035 0.60044343475839 0.22017025572243 180.948 > 29 39 Ta 0.37177451973035 0.39955656524161 0.72017025572243 180.948 > 31 40 Ta 0.37177451973035 0.89955656524161 0.72017025572243 180.948 > 31 41 Ag 0.00000000000000 0.35291669573794 0.25000000000000 107.868 > 41 42 Ag 0.00000000000000 0.85291669573794 0.25000000000000 107.868 > 41 43 Ag 0.12886115416053 0.39941569503166 0.78560600152386 107.868 > 43 44 Ag 0.12886115416053 0.89941569503166 0.78560600152386 107.868 > 43 45 Ag 0.00000000000000 0.14708330426206 0.75000000000000 107.868 > 45 46 Ag 0.00000000000000 0.64708330426206 0.75000000000000 107.868 > 45 47 Ag 0.12886115416053 0.10058430496834 0.28560600152386 107.868 > 47 48 Ag 0.12886115416053 0.60058430496834 0.28560600152386 107.868 > 47 49 Ag 0.87113884583947 0.39941569503166 0.71439399847614 107.868 > 49 50 Ag 0.87113884583947 0.89941569503166 0.71439399847614 107.868 > 49 51 Ag 0.87113884583947 0.10058430496834 0.21439399847614 107.868 > 51 52 Ag 0.87113884583947 0.60058430496834 0.21439399847614 107.868 > 51 53 Ag 0.50000000000000 0.10291669573794 0.25000000000000 107.868 > 41 54 Ag 0.50000000000000 0.60291669573794 0.25000000000000 107.868 > 41 55 Ag 0.62886115416053 0.14941569503166 0.78560600152386 107.868 > 43 56 Ag 0.62886115416053 0.64941569503166 0.78560600152386 107.868 > 43 57 Ag 0.50000000000000 0.39708330426206 0.75000000000000 107.868 > 45 58 Ag 0.50000000000000 0.89708330426206 0.75000000000000 107.868 > 45 59 Ag 0.62886115416053 0.35058430496834 0.28560600152386 107.868 > 47 60 Ag 0.62886115416053 0.85058430496834 0.28560600152386 107.868 > 47 61 Ag 0.37113884583947 0.14941569503166 0.71439399847614 107.868 > 49 62 Ag 0.37113884583947 0.64941569503166 0.71439399847614 107.868 > 49 63 Ag 0.37113884583947 0.35058430496834 0.21439399847614 107.868 > 51 64 Ag 0.37113884583947 0.85058430496834 0.21439399847614 107.868 > 51 65 Se 0.78253081049242 0.24121415748906 0.10123260244718 78.960 > 65 66 Se 0.78253081049242 0.74121415748906 0.10123260244718 78.960 > 65 67 Se 0.95755848634573 0.23746629253148 0.35278186848798 78.960 > 67 68 Se 0.95755848634573 0.73746629253148 0.35278186848798 78.960 > 67 69 Se 0.90035532235661 0.46011034113520 0.10913686585507 78.960 > 69 70 Se 0.90035532235661 0.96011034113520 0.10913686585507 78.960 > 69 71 Se 0.04244151365427 0.26253370746852 0.64721813151202 78.960 > 71 72 Se 0.04244151365427 0.76253370746852 0.64721813151202 78.960 > 71 73 Se 0.90035532235661 0.03988965886480 0.60913686585507 78.960 > 73 74 Se 0.90035532235661 0.53988965886480 0.60913686585507 78.960 > 73 75 Se 0.34107995093730 0.28509529885413 0.82299113368376 78.960 > 75 76 Se 0.34107995093730 0.78509529885413 0.82299113368376 78.960 > 75 77 Se 0.28253081049242 0.00878584251094 0.60123260244718 78.960 > 77 78 Se 0.28253081049242 0.50878584251094 0.60123260244718 78.960 > 77 79 Se 0.04244151365427 0.23746629253148 0.14721813151202 78.960 > 79 80 Se 0.04244151365427 0.73746629253148 0.14721813151202 78.960 > 79 81 Se 0.95755848634573 0.26253370746852 0.85278186848798 78.960 > 81 82 Se 0.95755848634573 0.76253370746852 0.85278186848798 78.960 > 81 83 Se 0.71746918950758 0.49121415748906 0.39876739755282 78.960 > 83 84 Se 0.71746918950758 0.99121415748906 0.39876739755282 78.960 > 83 85 Se 0.15892004906270 0.03509529885414 0.67700886631624 78.960 > 85 86 Se 0.15892004906270 0.53509529885413 0.67700886631624 78.960 > 85 87 Se 0.09964467764339 0.03988965886480 0.89086313414493 78.960 > 87 88 Se 0.09964467764339 0.53988965886480 0.89086313414493 78.960 > 87 89 Se 0.21746918950758 0.25878584251094 0.89876739755282 78.960 > 89 90 Se 0.21746918950758 0.75878584251094 0.89876739755282 78.960 > 89 91 Se 0.09964467764339 0.46011034113520 0.39086313414493 78.960 > 91 92 Se 0.09964467764339 0.96011034113520 0.39086313414493 78.960 > 91 93 Se 0.65892004906270 0.21490470114586 0.17700886631624 78.960 > 93 94 Se 0.65892004906270 0.71490470114587 0.17700886631624 78.960 > 93 95 Se 0.84107995093730 0.46490470114587 0.32299113368376 78.960 > 95 96 Se 0.84107995093730 0.96490470114587 0.32299113368376 78.960 > 95 97 Se 0.28253081049242 0.49121415748906 0.10123260244718 78.960 > 65 98 Se 0.28253081049242 0.99121415748906 0.10123260244718 78.960 > 65 99 Se 0.45755848634573 0.48746629253148 0.35278186848798 78.960 > 67 100 Se 0.45755848634573 0.98746629253148 0.35278186848798 78.960 > 67 101 Se 0.40035532235661 0.21011034113520 0.10913686585507 78.960 > 69 102 Se 0.40035532235661 0.71011034113520 0.10913686585507 78.960 > 69 103 Se 0.54244151365427 0.01253370746852 0.64721813151202 78.960 > 71 104 Se 0.54244151365427 0.51253370746852 0.64721813151202 78.960 > 71 105 Se 0.40035532235661 0.28988965886480 0.60913686585507 78.960 > 73 106 Se 0.40035532235661 0.78988965886480 0.60913686585507 78.960 > 73 107 Se 0.84107995093730 0.03509529885414 0.82299113368376 78.960 > 75 108 Se 0.84107995093730 0.53509529885413 0.82299113368376 78.960 > 75 109 Se 0.78253081049242 0.25878584251094 0.60123260244718 78.960 > 77 110 Se 0.78253081049242 0.75878584251094 0.60123260244718 78.960 > 77 111 Se 0.54244151365427 0.48746629253148 0.14721813151202 78.960 > 79 112 Se 0.54244151365427 0.98746629253148 0.14721813151202 78.960 > 79 113 Se 0.45755848634573 0.01253370746852 0.85278186848798 78.960 > 81 114 Se 0.45755848634573 0.51253370746852 0.85278186848798 78.960 > 81 115 Se 0.21746918950758 0.24121415748906 0.39876739755282 78.960 > 83 116 Se 0.21746918950758 0.74121415748906 0.39876739755282 78.960 > 83 117 Se 0.65892004906270 0.28509529885413 0.67700886631624 78.960 > 85 118 Se 0.65892004906270 0.78509529885413 0.67700886631624 78.960 > 85 119 Se 0.59964467764339 0.28988965886480 0.89086313414493 78.960 > 87 120 Se 0.59964467764339 0.78988965886480 0.89086313414493 78.960 > 87 121 Se 0.71746918950758 0.00878584251094 0.89876739755282 78.960 > 89 122 Se 0.71746918950758 0.50878584251094 0.89876739755282 78.960 > 89 123 Se 0.59964467764339 0.21011034113520 0.39086313414493 78.960 > 91 124 Se 0.59964467764339 0.71011034113520 0.39086313414493 78.960 > 91 125 Se 0.15892004906270 0.46490470114587 0.17700886631624 78.960 > 93 126 Se 0.15892004906270 0.96490470114587 0.17700886631624 78.960 > 93 127 Se 0.34107995093730 0.21490470114586 0.32299113368376 78.960 > 95 128 Se 0.34107995093730 0.71490470114587 0.32299113368376 78.960 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3346572 0.0000000 0.1558611 0.0000000 5.7879623 0.0000000 0.1558567 0.0000000 4.7104468 -------------------------- Born effective charges -------------------------- 1 K 1.4236086 0.0736725 -0.0973196 0.0731973 1.2254904 -0.0346818 -0.1250824 -0.0376452 1.3598659 2 K 1.4236086 0.0736725 -0.0973196 0.0731973 1.2254904 -0.0346818 -0.1250824 -0.0376452 1.3598659 3 K 1.4236086 -0.0736725 -0.0973196 -0.0731973 1.2254904 0.0346818 -0.1250824 0.0376452 1.3598659 4 K 1.1619356 -0.0493054 -0.0059424 -0.0477057 1.3547362 0.0570978 -0.0149574 0.0378586 1.7119006 5 K 1.4236086 -0.0736725 -0.0973196 -0.0731973 1.2254904 0.0346818 -0.1250824 0.0376452 1.3598659 6 K 1.1619356 0.0493054 -0.0059424 0.0477057 1.3547362 -0.0570978 -0.0149574 -0.0378586 1.7119006 7 Ta 1.8720670 -0.0451922 0.2423272 0.1052518 2.7429769 -0.5305509 0.1451164 -0.1220005 0.8882314 8 Ta 1.8720670 0.0451922 0.2423272 -0.1052518 2.7429769 0.5305509 0.1451164 0.1220005 0.8882314 9 Ta 1.8720670 0.0451922 0.2423272 -0.1052518 2.7429769 0.5305509 0.1451164 0.1220005 0.8882314 10 Ta 1.8720670 -0.0451922 0.2423272 0.1052518 2.7429769 -0.5305509 0.1451164 -0.1220005 0.8882314 11 Ag 0.3143181 0.0000000 0.0688139 0.0000000 0.4946230 -0.0000000 0.0311094 0.0000000 0.4242592 12 Ag 0.4949748 -0.0274706 -0.0108351 -0.0091745 0.3483043 0.0332714 0.0318095 0.0130100 0.4018260 13 Ag 0.3143181 0.0000000 0.0688139 0.0000000 0.4946230 -0.0000000 0.0311094 0.0000000 0.4242592 14 Ag 0.4949748 0.0274706 -0.0108351 0.0091745 0.3483043 -0.0332714 0.0318095 -0.0130100 0.4018260 15 Ag 0.4949748 0.0274706 -0.0108351 0.0091745 0.3483043 -0.0332714 0.0318095 -0.0130100 0.4018260 16 Ag 0.4949748 -0.0274706 -0.0108351 -0.0091745 0.3483043 0.0332714 0.0318095 0.0130100 0.4018260 17 Se -1.0750033 -0.4116279 -0.8737184 -0.7212906 -1.3466150 -0.9013209 -0.5669846 -0.2906260 -1.0303399 18 Se -0.9005671 0.2756926 -0.8243604 0.2845995 -1.3056198 0.9135366 -0.4241554 0.4895349 -1.0695633 19 Se -1.2862921 -0.3752585 0.7893834 -0.4951266 -0.9921508 0.6846696 0.4098094 0.2927451 -0.7955865 20 Se -0.9005671 0.2756926 -0.8243604 0.2845995 -1.3056198 0.9135366 -0.4241554 0.4895349 -1.0695633 21 Se -1.2862921 0.3752585 0.7893834 0.4951266 -0.9921508 -0.6846696 0.4098094 -0.2927451 -0.7955865 22 Se -1.2669147 -0.4033921 0.7430871 -0.8694531 -1.5970655 0.7826686 0.5214112 0.3181897 -0.8225135 23 Se -1.0750033 0.4116279 -0.8737184 0.7212906 -1.3466150 0.9013209 -0.5669846 0.2906260 -1.0303399 24 Se -0.9005671 -0.2756926 -0.8243604 -0.2845995 -1.3056198 -0.9135366 -0.4241554 -0.4895349 -1.0695633 25 Se -0.9005671 -0.2756926 -0.8243604 -0.2845995 -1.3056198 -0.9135366 -0.4241554 -0.4895349 -1.0695633 26 Se -1.0750033 0.4116279 -0.8737184 0.7212906 -1.3466150 0.9013209 -0.5669846 0.2906260 -1.0303399 27 Se -1.2669147 0.4033921 0.7430871 0.8694531 -1.5970655 -0.7826686 0.5214112 -0.3181897 -0.8225135 28 Se -1.2862921 -0.3752585 0.7893834 -0.4951266 -0.9921508 0.6846696 0.4098094 0.2927451 -0.7955865 29 Se -1.0750033 -0.4116279 -0.8737184 -0.7212906 -1.3466150 -0.9013209 -0.5669846 -0.2906260 -1.0303399 30 Se -1.2862921 0.3752585 0.7893834 0.4951266 -0.9921508 -0.6846696 0.4098094 -0.2927451 -0.7955865 31 Se -1.2669147 -0.4033921 0.7430871 -0.8694531 -1.5970655 0.7826686 0.5214112 0.3181897 -0.8225135 32 Se -1.2669147 0.4033921 0.7430871 0.8694531 -1.5970655 -0.7826686 0.5214112 -0.3181897 -0.8225135 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 7, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 41, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 43, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 65, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 67, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 69, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 75, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 20:00:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:00:38]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.481032591419662 -3.006605724999999 0.000000000000000 b 12.481032591419662 3.006605724999999 0.000000000000000 c -7.317472596359935 0.000000000000000 12.439646239674882 Atomic positions (fractional): 1 K 0.62547499420915 0.76455650979991 0.60490017597109 39.098 2 K 0.37452500579085 0.23544349020009 0.39509982402891 39.098 3 K 0.76455650979991 0.62547499420915 0.10490017597109 39.098 4 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 5 K 0.23544349020009 0.37452500579085 0.89509982402891 39.098 6 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 7 Ta 0.42733861075287 0.82911234978643 0.27982974427757 180.948 8 Ta 0.82911234978643 0.42733861075287 0.77982974427757 180.948 9 Ta 0.17088765021357 0.57266138924713 0.22017025572243 180.948 10 Ta 0.57266138924713 0.17088765021357 0.72017025572243 180.948 11 Ag 0.29416660852412 0.70583339147588 0.25000000000000 107.868 12 Ag 0.33002976409720 0.92769254422385 0.78560600152386 107.868 13 Ag 0.70583339147588 0.29416660852412 0.75000000000000 107.868 14 Ag 0.92769254422385 0.33002976409721 0.28560600152386 107.868 15 Ag 0.07230745577615 0.66997023590280 0.71439399847614 107.868 16 Ag 0.66997023590280 0.07230745577615 0.21439399847614 107.868 17 Se 0.30010249551430 0.26495912547055 0.10123260244718 78.960 18 Se 0.48262590128276 0.43249107140870 0.35278186848798 78.960 19 Se 0.98013464008621 0.82057600462702 0.10913686585507 78.960 20 Se 0.51737409871724 0.56750892859130 0.64721813151202 78.960 21 Se 0.82057600462702 0.98013464008621 0.60913686585507 78.960 22 Se 0.77088935322903 0.91127054864557 0.82299113368376 78.960 23 Se 0.26495912547055 0.30010249551430 0.60123260244718 78.960 24 Se 0.56750892859130 0.51737409871724 0.14721813151202 78.960 25 Se 0.43249107140870 0.48262590128276 0.85278186848798 78.960 26 Se 0.73504087452945 0.69989750448570 0.39876739755282 78.960 27 Se 0.08872945135443 0.22911064677097 0.67700886631624 78.960 28 Se 0.01986535991379 0.17942399537298 0.89086313414493 78.960 29 Se 0.69989750448570 0.73504087452945 0.89876739755282 78.960 30 Se 0.17942399537298 0.01986535991379 0.39086313414493 78.960 31 Se 0.22911064677097 0.08872945135443 0.17700886631624 78.960 32 Se 0.91127054864557 0.77088935322903 0.32299113368376 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 24.962065182839325 0.000000000000000 0.000000000000000 b 0.000000000000000 12.026422899999996 0.000000000000000 c -7.317472596359935 0.000000000000000 12.439646239674882 Atomic positions (fractional): 1 K 0.19501575200453 0.28477037889769 0.60490017597109 39.098 > 1 2 K 0.19501575200453 0.78477037889769 0.60490017597109 39.098 > 1 3 K 0.80498424799547 0.21522962110231 0.39509982402891 39.098 > 3 4 K 0.80498424799547 0.71522962110231 0.39509982402891 39.098 > 3 5 K 0.69501575200453 0.46522962110231 0.10490017597109 39.098 > 5 6 K 0.69501575200453 0.96522962110231 0.10490017597109 39.098 > 5 7 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 7 8 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 7 9 K 0.30498424799547 0.03477037889769 0.89509982402891 39.098 > 9 10 K 0.30498424799547 0.53477037889769 0.89509982402891 39.098 > 9 11 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 11 12 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 11 13 K 0.69501575200453 0.03477037889769 0.60490017597109 39.098 > 1 14 K 0.69501575200453 0.53477037889769 0.60490017597109 39.098 > 1 15 K 0.30498424799547 0.46522962110231 0.39509982402891 39.098 > 3 16 K 0.30498424799547 0.96522962110231 0.39509982402891 39.098 > 3 17 K 0.19501575200453 0.21522962110231 0.10490017597109 39.098 > 5 18 K 0.19501575200453 0.71522962110231 0.10490017597109 39.098 > 5 19 K 0.50000000000000 0.25000000000000 0.50000000000000 39.098 > 7 20 K 0.50000000000000 0.75000000000000 0.50000000000000 39.098 > 7 21 K 0.80498424799547 0.28477037889769 0.89509982402891 39.098 > 9 22 K 0.80498424799547 0.78477037889769 0.89509982402891 39.098 > 9 23 K 0.50000000000000 0.25000000000000 0.00000000000000 39.098 > 11 24 K 0.50000000000000 0.75000000000000 0.00000000000000 39.098 > 11 25 Ta 0.12822548026965 0.35044343475839 0.27982974427757 180.948 > 25 26 Ta 0.12822548026965 0.85044343475839 0.27982974427757 180.948 > 25 27 Ta 0.12822548026965 0.14955656524161 0.77982974427757 180.948 > 27 28 Ta 0.12822548026965 0.64955656524161 0.77982974427757 180.948 > 27 29 Ta 0.87177451973035 0.35044343475839 0.22017025572243 180.948 > 29 30 Ta 0.87177451973035 0.85044343475839 0.22017025572243 180.948 > 29 31 Ta 0.87177451973035 0.14955656524161 0.72017025572243 180.948 > 31 32 Ta 0.87177451973035 0.64955656524161 0.72017025572243 180.948 > 31 33 Ta 0.62822548026965 0.10044343475839 0.27982974427757 180.948 > 25 34 Ta 0.62822548026965 0.60044343475839 0.27982974427757 180.948 > 25 35 Ta 0.62822548026965 0.39955656524161 0.77982974427757 180.948 > 27 36 Ta 0.62822548026965 0.89955656524161 0.77982974427757 180.948 > 27 37 Ta 0.37177451973035 0.10044343475839 0.22017025572243 180.948 > 29 38 Ta 0.37177451973035 0.60044343475839 0.22017025572243 180.948 > 29 39 Ta 0.37177451973035 0.39955656524161 0.72017025572243 180.948 > 31 40 Ta 0.37177451973035 0.89955656524161 0.72017025572243 180.948 > 31 41 Ag 0.00000000000000 0.35291669573794 0.25000000000000 107.868 > 41 42 Ag 0.00000000000000 0.85291669573794 0.25000000000000 107.868 > 41 43 Ag 0.12886115416053 0.39941569503166 0.78560600152386 107.868 > 43 44 Ag 0.12886115416053 0.89941569503166 0.78560600152386 107.868 > 43 45 Ag 0.00000000000000 0.14708330426206 0.75000000000000 107.868 > 45 46 Ag 0.00000000000000 0.64708330426206 0.75000000000000 107.868 > 45 47 Ag 0.12886115416053 0.10058430496834 0.28560600152386 107.868 > 47 48 Ag 0.12886115416053 0.60058430496834 0.28560600152386 107.868 > 47 49 Ag 0.87113884583947 0.39941569503166 0.71439399847614 107.868 > 49 50 Ag 0.87113884583947 0.89941569503166 0.71439399847614 107.868 > 49 51 Ag 0.87113884583947 0.10058430496834 0.21439399847614 107.868 > 51 52 Ag 0.87113884583947 0.60058430496834 0.21439399847614 107.868 > 51 53 Ag 0.50000000000000 0.10291669573794 0.25000000000000 107.868 > 41 54 Ag 0.50000000000000 0.60291669573794 0.25000000000000 107.868 > 41 55 Ag 0.62886115416053 0.14941569503166 0.78560600152386 107.868 > 43 56 Ag 0.62886115416053 0.64941569503166 0.78560600152386 107.868 > 43 57 Ag 0.50000000000000 0.39708330426206 0.75000000000000 107.868 > 45 58 Ag 0.50000000000000 0.89708330426206 0.75000000000000 107.868 > 45 59 Ag 0.62886115416053 0.35058430496834 0.28560600152386 107.868 > 47 60 Ag 0.62886115416053 0.85058430496834 0.28560600152386 107.868 > 47 61 Ag 0.37113884583947 0.14941569503166 0.71439399847614 107.868 > 49 62 Ag 0.37113884583947 0.64941569503166 0.71439399847614 107.868 > 49 63 Ag 0.37113884583947 0.35058430496834 0.21439399847614 107.868 > 51 64 Ag 0.37113884583947 0.85058430496834 0.21439399847614 107.868 > 51 65 Se 0.78253081049242 0.24121415748906 0.10123260244718 78.960 > 65 66 Se 0.78253081049242 0.74121415748906 0.10123260244718 78.960 > 65 67 Se 0.95755848634573 0.23746629253148 0.35278186848798 78.960 > 67 68 Se 0.95755848634573 0.73746629253148 0.35278186848798 78.960 > 67 69 Se 0.90035532235661 0.46011034113520 0.10913686585507 78.960 > 69 70 Se 0.90035532235661 0.96011034113520 0.10913686585507 78.960 > 69 71 Se 0.04244151365427 0.26253370746852 0.64721813151202 78.960 > 71 72 Se 0.04244151365427 0.76253370746852 0.64721813151202 78.960 > 71 73 Se 0.90035532235661 0.03988965886480 0.60913686585507 78.960 > 73 74 Se 0.90035532235661 0.53988965886480 0.60913686585507 78.960 > 73 75 Se 0.34107995093730 0.28509529885413 0.82299113368376 78.960 > 75 76 Se 0.34107995093730 0.78509529885413 0.82299113368376 78.960 > 75 77 Se 0.28253081049242 0.00878584251094 0.60123260244718 78.960 > 77 78 Se 0.28253081049242 0.50878584251094 0.60123260244718 78.960 > 77 79 Se 0.04244151365427 0.23746629253148 0.14721813151202 78.960 > 79 80 Se 0.04244151365427 0.73746629253148 0.14721813151202 78.960 > 79 81 Se 0.95755848634573 0.26253370746852 0.85278186848798 78.960 > 81 82 Se 0.95755848634573 0.76253370746852 0.85278186848798 78.960 > 81 83 Se 0.71746918950758 0.49121415748906 0.39876739755282 78.960 > 83 84 Se 0.71746918950758 0.99121415748906 0.39876739755282 78.960 > 83 85 Se 0.15892004906270 0.03509529885414 0.67700886631624 78.960 > 85 86 Se 0.15892004906270 0.53509529885413 0.67700886631624 78.960 > 85 87 Se 0.09964467764339 0.03988965886480 0.89086313414493 78.960 > 87 88 Se 0.09964467764339 0.53988965886480 0.89086313414493 78.960 > 87 89 Se 0.21746918950758 0.25878584251094 0.89876739755282 78.960 > 89 90 Se 0.21746918950758 0.75878584251094 0.89876739755282 78.960 > 89 91 Se 0.09964467764339 0.46011034113520 0.39086313414493 78.960 > 91 92 Se 0.09964467764339 0.96011034113520 0.39086313414493 78.960 > 91 93 Se 0.65892004906270 0.21490470114586 0.17700886631624 78.960 > 93 94 Se 0.65892004906270 0.71490470114587 0.17700886631624 78.960 > 93 95 Se 0.84107995093730 0.46490470114587 0.32299113368376 78.960 > 95 96 Se 0.84107995093730 0.96490470114587 0.32299113368376 78.960 > 95 97 Se 0.28253081049242 0.49121415748906 0.10123260244718 78.960 > 65 98 Se 0.28253081049242 0.99121415748906 0.10123260244718 78.960 > 65 99 Se 0.45755848634573 0.48746629253148 0.35278186848798 78.960 > 67 100 Se 0.45755848634573 0.98746629253148 0.35278186848798 78.960 > 67 101 Se 0.40035532235661 0.21011034113520 0.10913686585507 78.960 > 69 102 Se 0.40035532235661 0.71011034113520 0.10913686585507 78.960 > 69 103 Se 0.54244151365427 0.01253370746852 0.64721813151202 78.960 > 71 104 Se 0.54244151365427 0.51253370746852 0.64721813151202 78.960 > 71 105 Se 0.40035532235661 0.28988965886480 0.60913686585507 78.960 > 73 106 Se 0.40035532235661 0.78988965886480 0.60913686585507 78.960 > 73 107 Se 0.84107995093730 0.03509529885414 0.82299113368376 78.960 > 75 108 Se 0.84107995093730 0.53509529885413 0.82299113368376 78.960 > 75 109 Se 0.78253081049242 0.25878584251094 0.60123260244718 78.960 > 77 110 Se 0.78253081049242 0.75878584251094 0.60123260244718 78.960 > 77 111 Se 0.54244151365427 0.48746629253148 0.14721813151202 78.960 > 79 112 Se 0.54244151365427 0.98746629253148 0.14721813151202 78.960 > 79 113 Se 0.45755848634573 0.01253370746852 0.85278186848798 78.960 > 81 114 Se 0.45755848634573 0.51253370746852 0.85278186848798 78.960 > 81 115 Se 0.21746918950758 0.24121415748906 0.39876739755282 78.960 > 83 116 Se 0.21746918950758 0.74121415748906 0.39876739755282 78.960 > 83 117 Se 0.65892004906270 0.28509529885413 0.67700886631624 78.960 > 85 118 Se 0.65892004906270 0.78509529885413 0.67700886631624 78.960 > 85 119 Se 0.59964467764339 0.28988965886480 0.89086313414493 78.960 > 87 120 Se 0.59964467764339 0.78988965886480 0.89086313414493 78.960 > 87 121 Se 0.71746918950758 0.00878584251094 0.89876739755282 78.960 > 89 122 Se 0.71746918950758 0.50878584251094 0.89876739755282 78.960 > 89 123 Se 0.59964467764339 0.21011034113520 0.39086313414493 78.960 > 91 124 Se 0.59964467764339 0.71011034113520 0.39086313414493 78.960 > 91 125 Se 0.15892004906270 0.46490470114587 0.17700886631624 78.960 > 93 126 Se 0.15892004906270 0.96490470114587 0.17700886631624 78.960 > 93 127 Se 0.34107995093730 0.21490470114586 0.32299113368376 78.960 > 95 128 Se 0.34107995093730 0.71490470114587 0.32299113368376 78.960 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3346572 0.0000000 0.1558611 0.0000000 5.7879623 0.0000000 0.1558567 0.0000000 4.7104468 -------------------------- Born effective charges -------------------------- 1 K 1.4236086 0.0736725 -0.0973196 0.0731973 1.2254904 -0.0346818 -0.1250824 -0.0376452 1.3598659 2 K 1.4236086 0.0736725 -0.0973196 0.0731973 1.2254904 -0.0346818 -0.1250824 -0.0376452 1.3598659 3 K 1.4236086 -0.0736725 -0.0973196 -0.0731973 1.2254904 0.0346818 -0.1250824 0.0376452 1.3598659 4 K 1.1619356 -0.0493054 -0.0059424 -0.0477057 1.3547362 0.0570978 -0.0149574 0.0378586 1.7119006 5 K 1.4236086 -0.0736725 -0.0973196 -0.0731973 1.2254904 0.0346818 -0.1250824 0.0376452 1.3598659 6 K 1.1619356 0.0493054 -0.0059424 0.0477057 1.3547362 -0.0570978 -0.0149574 -0.0378586 1.7119006 7 Ta 1.8720670 -0.0451922 0.2423272 0.1052518 2.7429769 -0.5305509 0.1451164 -0.1220005 0.8882314 8 Ta 1.8720670 0.0451922 0.2423272 -0.1052518 2.7429769 0.5305509 0.1451164 0.1220005 0.8882314 9 Ta 1.8720670 0.0451922 0.2423272 -0.1052518 2.7429769 0.5305509 0.1451164 0.1220005 0.8882314 10 Ta 1.8720670 -0.0451922 0.2423272 0.1052518 2.7429769 -0.5305509 0.1451164 -0.1220005 0.8882314 11 Ag 0.3143181 0.0000000 0.0688139 0.0000000 0.4946230 -0.0000000 0.0311094 0.0000000 0.4242592 12 Ag 0.4949748 -0.0274706 -0.0108351 -0.0091745 0.3483043 0.0332714 0.0318095 0.0130100 0.4018260 13 Ag 0.3143181 0.0000000 0.0688139 0.0000000 0.4946230 -0.0000000 0.0311094 0.0000000 0.4242592 14 Ag 0.4949748 0.0274706 -0.0108351 0.0091745 0.3483043 -0.0332714 0.0318095 -0.0130100 0.4018260 15 Ag 0.4949748 0.0274706 -0.0108351 0.0091745 0.3483043 -0.0332714 0.0318095 -0.0130100 0.4018260 16 Ag 0.4949748 -0.0274706 -0.0108351 -0.0091745 0.3483043 0.0332714 0.0318095 0.0130100 0.4018260 17 Se -1.0750033 -0.4116279 -0.8737184 -0.7212906 -1.3466150 -0.9013209 -0.5669846 -0.2906260 -1.0303399 18 Se -0.9005671 0.2756926 -0.8243604 0.2845995 -1.3056198 0.9135366 -0.4241554 0.4895349 -1.0695633 19 Se -1.2862921 -0.3752585 0.7893834 -0.4951266 -0.9921508 0.6846696 0.4098094 0.2927451 -0.7955865 20 Se -0.9005671 0.2756926 -0.8243604 0.2845995 -1.3056198 0.9135366 -0.4241554 0.4895349 -1.0695633 21 Se -1.2862921 0.3752585 0.7893834 0.4951266 -0.9921508 -0.6846696 0.4098094 -0.2927451 -0.7955865 22 Se -1.2669147 -0.4033921 0.7430871 -0.8694531 -1.5970655 0.7826686 0.5214112 0.3181897 -0.8225135 23 Se -1.0750033 0.4116279 -0.8737184 0.7212906 -1.3466150 0.9013209 -0.5669846 0.2906260 -1.0303399 24 Se -0.9005671 -0.2756926 -0.8243604 -0.2845995 -1.3056198 -0.9135366 -0.4241554 -0.4895349 -1.0695633 25 Se -0.9005671 -0.2756926 -0.8243604 -0.2845995 -1.3056198 -0.9135366 -0.4241554 -0.4895349 -1.0695633 26 Se -1.0750033 0.4116279 -0.8737184 0.7212906 -1.3466150 0.9013209 -0.5669846 0.2906260 -1.0303399 27 Se -1.2669147 0.4033921 0.7430871 0.8694531 -1.5970655 -0.7826686 0.5214112 -0.3181897 -0.8225135 28 Se -1.2862921 -0.3752585 0.7893834 -0.4951266 -0.9921508 0.6846696 0.4098094 0.2927451 -0.7955865 29 Se -1.0750033 -0.4116279 -0.8737184 -0.7212906 -1.3466150 -0.9013209 -0.5669846 -0.2906260 -1.0303399 30 Se -1.2862921 0.3752585 0.7893834 0.4951266 -0.9921508 -0.6846696 0.4098094 -0.2927451 -0.7955865 31 Se -1.2669147 -0.4033921 0.7430871 -0.8694531 -1.5970655 0.7826686 0.5214112 0.3181897 -0.8225135 32 Se -1.2669147 0.4033921 0.7430871 0.8694531 -1.5970655 -0.7826686 0.5214112 -0.3181897 -0.8225135 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 ... [ 9 9 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: 0.42, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 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 0.499 ( 0.000 0.000 0.000) 0.000 0.600 ( 0.000 0.000 0.000) 0.000 0.676 ( 0.000 0.000 0.000) 0.000 0.708 ( 0.000 0.000 0.000) 0.000 0.710 ( 0.000 0.000 0.000) 0.000 0.854 ( 0.000 0.000 0.000) 0.000 0.981 ( 0.000 0.000 0.000) 0.000 1.008 ( 0.000 0.000 0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.218 ( 0.000 0.000 0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.301 ( 0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.406 ( 0.000 0.000 0.000) 0.000 1.434 ( 0.000 0.000 0.000) 0.000 1.444 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.699 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 1.932 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.239 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.924 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.168 ( 0.000 0.000 0.000) 0.000 8.170 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.373 ( 0.000 0.000 0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( 4.179 -9.659 2.043) 10.721 0.252 ( 5.759 -11.146 2.668) 12.826 0.537 ( 0.823 -3.675 0.635) 3.819 0.622 ( 1.320 -30.307 0.922) 30.350 0.704 ( 1.935 -1.462 1.049) 2.642 0.789 ( -0.656 -11.574 -0.636) 11.610 0.824 ( 1.141 -11.410 -0.039) 11.467 0.887 ( -0.952 -12.765 -0.714) 12.820 0.894 ( -1.362 -8.853 -0.914) 9.004 0.985 ( 0.114 -2.393 -0.506) 2.449 1.075 ( -1.514 -7.381 0.097) 7.535 1.133 ( -1.019 1.231 -0.994) 1.882 1.171 ( 1.897 4.013 0.648) 4.486 1.238 ( 0.488 3.914 0.045) 3.945 1.299 ( 0.162 -0.569 -0.038) 0.593 1.357 ( -0.891 0.361 1.336) 1.645 1.374 ( 1.868 -0.431 -0.610) 2.012 1.438 ( -0.913 -0.585 -0.084) 1.088 1.461 ( -0.269 3.008 -0.198) 3.027 1.498 ( -0.462 -1.891 -0.303) 1.970 1.518 ( 0.324 -0.483 0.922) 1.091 1.659 ( -0.293 4.276 -0.568) 4.323 1.690 ( -0.093 1.005 0.897) 1.351 1.760 ( -2.029 2.329 -0.267) 3.100 1.896 ( 0.949 -0.359 -0.656) 1.208 1.931 ( -0.100 0.151 -0.130) 0.223 2.181 ( 0.749 1.657 0.308) 1.845 2.280 ( -0.927 -1.048 -0.584) 1.516 2.293 ( 1.126 0.471 0.303) 1.258 2.367 ( 0.129 -0.599 0.035) 0.614 2.424 ( -0.100 -3.345 -0.478) 3.381 2.430 ( -0.717 -0.147 -0.550) 0.916 2.456 ( -0.410 -2.045 -2.346) 3.140 2.490 ( 0.102 0.223 1.734) 1.751 2.547 ( 1.784 -0.154 1.432) 2.293 2.602 ( 0.215 -0.963 0.440) 1.081 2.627 ( 0.150 0.163 0.596) 0.636 2.734 ( -3.061 1.334 -1.444) 3.638 2.764 ( 0.608 0.710 -0.029) 0.935 2.820 ( -2.194 -1.945 -1.085) 3.126 2.870 ( -0.919 0.288 0.740) 1.214 2.928 ( 1.134 0.853 -0.076) 1.421 2.968 ( 0.767 0.198 1.344) 1.560 3.047 ( 1.066 1.331 -0.351) 1.741 3.137 ( -0.383 1.948 -1.459) 2.463 3.175 ( -1.969 0.395 -0.402) 2.048 3.199 ( 3.160 2.615 0.707) 4.162 3.202 ( 1.757 0.722 2.263) 2.955 3.275 ( 0.033 -1.140 0.408) 1.211 3.340 ( -0.252 1.189 0.061) 1.217 3.385 ( -0.146 5.027 -0.121) 5.030 3.411 ( 0.220 4.906 -0.020) 4.911 3.430 ( 0.069 3.146 -0.060) 3.147 3.454 ( -0.037 3.641 -0.076) 3.642 3.505 ( -0.343 0.655 -0.007) 0.740 3.549 ( -0.018 1.711 0.962) 1.963 3.595 ( 0.272 -2.139 0.007) 2.156 3.695 ( 0.257 -1.575 -0.087) 1.599 3.747 ( 0.098 -1.844 0.127) 1.851 3.792 ( -0.211 -2.104 -0.150) 2.120 3.800 ( 0.169 -1.067 0.001) 1.080 3.833 ( -0.288 -0.431 -0.271) 0.585 3.915 ( 0.204 -0.951 0.226) 0.998 3.928 ( -0.070 -1.827 0.111) 1.832 4.287 ( -0.162 0.963 -0.065) 0.979 4.293 ( 0.021 0.653 0.032) 0.655 4.401 ( 0.051 0.813 0.079) 0.819 4.405 ( 0.003 -1.961 -0.035) 1.961 4.419 ( -0.067 -2.051 -0.113) 2.055 4.420 ( 0.045 1.453 0.055) 1.454 4.479 ( 0.523 -3.140 0.142) 3.187 4.504 ( -0.148 -2.879 -0.048) 2.883 4.825 ( 0.026 0.430 -0.006) 0.430 4.849 ( -0.030 0.731 -0.038) 0.733 5.029 ( 0.130 2.145 0.040) 2.150 5.031 ( -0.006 2.230 -0.042) 2.230 5.057 ( -0.011 -0.895 -0.027) 0.895 5.100 ( -1.207 -0.703 -0.703) 1.564 5.130 ( 0.178 -1.380 0.128) 1.397 5.141 ( -0.070 -1.120 -0.020) 1.122 7.336 ( -0.054 -0.603 -0.000) 0.606 7.361 ( -0.223 -0.381 -0.065) 0.446 7.380 ( 0.230 -0.305 -0.010) 0.382 7.395 ( 0.153 -0.721 0.001) 0.737 7.990 ( 0.185 -0.741 -0.868) 1.156 8.005 ( -0.448 0.419 0.616) 0.870 8.036 ( -2.626 -0.459 1.826) 3.231 8.045 ( -1.514 -0.682 -3.094) 3.511 8.092 ( 3.608 -0.643 0.560) 3.708 8.131 ( 0.042 0.011 0.138) 0.145 8.166 ( 0.311 0.339 0.183) 0.495 8.257 ( -1.116 -0.281 -1.249) 1.699 8.360 ( -3.304 -1.480 -3.266) 4.876 8.412 ( 2.166 0.924 0.401) 2.389 8.436 ( -0.188 0.344 2.469) 2.500 8.494 ( 0.674 0.654 0.108) 0.945 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 5.167 -9.033 0.395) 10.414 0.464 ( 4.411 -8.343 2.705) 9.817 0.631 ( 1.491 -5.687 0.503) 5.900 0.730 ( 1.501 -1.545 1.833) 2.828 0.843 ( -0.949 -2.103 -1.963) 3.029 0.914 ( -1.042 0.065 -0.958) 1.417 0.981 ( -0.023 0.309 0.006) 0.310 1.005 ( -0.680 -1.990 -0.858) 2.271 1.017 ( -0.111 3.601 0.427) 3.628 1.078 ( 0.215 0.091 -0.050) 0.238 1.193 ( 0.751 -16.748 0.249) 16.767 1.253 ( 0.676 0.120 -0.978) 1.195 1.283 ( 0.412 -7.810 2.144) 8.110 1.319 ( -0.371 -5.105 -1.116) 5.239 1.353 ( -0.212 -8.346 -0.021) 8.348 1.363 ( -1.112 -6.199 -1.945) 6.592 1.395 ( -0.796 -1.267 -0.543) 1.592 1.430 ( 0.671 -11.806 1.787) 11.960 1.484 ( -2.365 -4.631 1.224) 5.342 1.508 ( 0.874 -2.619 -0.409) 2.792 1.541 ( 2.945 -1.242 2.553) 4.091 1.593 ( -0.343 -1.162 -0.887) 1.502 1.682 ( -1.080 0.277 0.447) 1.201 1.710 ( -2.983 -0.583 0.018) 3.040 1.903 ( 0.071 -0.252 -0.283) 0.385 1.930 ( 0.211 -0.324 -0.083) 0.396 2.162 ( 1.704 1.029 1.036) 2.244 2.284 ( -0.775 0.453 -1.298) 1.579 2.298 ( 0.146 -1.143 -0.019) 1.153 2.386 ( 0.455 -1.110 0.245) 1.225 2.429 ( -0.332 -0.246 -0.787) 0.889 2.466 ( -0.035 -1.511 -2.769) 3.154 2.494 ( -1.303 -1.786 0.904) 2.388 2.516 ( 0.930 -2.757 0.843) 3.029 2.558 ( 1.273 0.189 1.386) 1.892 2.614 ( -0.623 0.048 0.658) 0.908 2.629 ( 0.540 -0.098 0.655) 0.854 2.689 ( -1.478 1.651 -1.614) 2.742 2.745 ( 0.398 1.610 -0.079) 1.661 2.843 ( -1.122 -1.570 -1.444) 2.410 2.860 ( -1.278 0.563 1.238) 1.866 2.922 ( 0.074 0.064 -1.243) 1.246 2.961 ( -0.137 1.189 1.359) 1.811 3.025 ( 1.789 1.510 -0.311) 2.362 3.082 ( 0.796 3.578 -1.289) 3.886 3.119 ( 0.085 4.579 -2.463) 5.200 3.164 ( 0.790 4.450 3.419) 5.667 3.184 ( -1.358 1.148 0.073) 1.780 3.258 ( -0.446 7.014 -0.127) 7.030 3.278 ( 0.563 5.864 0.021) 5.891 3.295 ( 0.427 5.860 -0.265) 5.882 3.308 ( 0.414 0.345 0.845) 1.003 3.382 ( -0.698 1.631 -0.494) 1.841 3.401 ( 0.626 1.140 0.482) 1.387 3.492 ( -0.585 0.507 -0.075) 0.777 3.513 ( 0.265 2.317 1.149) 2.599 3.638 ( 0.365 -2.213 0.087) 2.245 3.728 ( 0.408 -1.705 -0.143) 1.759 3.783 ( -0.074 -1.741 0.233) 1.758 3.823 ( -0.004 -1.497 -0.210) 1.511 3.832 ( -0.264 -1.863 -0.078) 1.883 3.848 ( -0.107 -1.415 -0.270) 1.444 3.942 ( 0.259 -1.751 0.301) 1.796 3.965 ( -0.214 -2.077 -0.046) 2.088 4.265 ( -0.203 1.130 -0.078) 1.151 4.277 ( -0.006 1.074 0.050) 1.075 4.391 ( 0.109 0.417 0.121) 0.447 4.398 ( -0.032 0.745 -0.100) 0.753 4.455 ( 0.268 -2.885 0.152) 2.901 4.467 ( -0.014 -2.964 -0.147) 2.968 4.549 ( 0.433 -4.040 0.184) 4.067 4.562 ( -0.255 -3.619 -0.120) 3.630 4.813 ( -0.053 0.836 0.035) 0.838 4.831 ( -0.209 1.100 -0.076) 1.122 4.980 ( 0.182 3.050 -0.029) 3.055 4.983 ( 0.339 2.952 0.011) 2.971 5.075 ( 0.011 -0.915 0.020) 0.915 5.106 ( -0.596 -0.488 -0.297) 0.825 5.156 ( -0.084 -1.197 0.035) 1.201 5.162 ( -0.142 -1.110 0.003) 1.119 7.351 ( -0.168 -1.044 -0.075) 1.060 7.369 ( -0.218 -0.641 -0.040) 0.678 7.394 ( 0.372 -1.031 0.011) 1.096 7.407 ( 0.088 -0.526 -0.072) 0.538 7.993 ( -0.013 0.113 -0.872) 0.880 8.012 ( -0.020 -0.917 0.898) 1.284 8.033 ( 0.108 0.266 0.095) 0.302 8.051 ( -1.885 -1.081 -1.008) 2.395 8.113 ( 0.545 -0.370 -0.681) 0.947 8.135 ( 0.760 -0.367 1.256) 1.513 8.160 ( 0.489 0.461 0.450) 0.808 8.252 ( -1.103 0.080 -0.600) 1.259 8.365 ( -1.693 -0.866 -0.970) 2.135 8.403 ( 1.516 0.887 0.251) 1.774 8.438 ( -0.621 -0.337 0.125) 0.718 8.483 ( 0.903 0.931 0.211) 1.314 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 6.330 -3.916 0.301) 7.449 0.622 ( 1.323 -6.817 -0.285) 6.950 0.751 ( 0.949 -5.969 1.038) 6.133 0.789 ( 0.155 -4.253 0.814) 4.333 0.865 ( -0.642 -1.941 -1.798) 2.722 0.915 ( 1.488 2.936 -0.095) 3.293 0.935 ( -0.731 -1.822 0.623) 2.060 0.980 ( 0.074 1.746 -0.453) 1.805 1.007 ( 0.947 0.687 -0.106) 1.175 1.067 ( 0.821 -0.030 0.195) 0.844 1.147 ( 0.713 6.621 0.411) 6.672 1.239 ( -2.045 4.994 -0.054) 5.397 1.269 ( -0.787 4.651 -0.508) 4.744 1.300 ( -0.720 3.803 -0.433) 3.894 1.374 ( -3.484 0.019 -0.100) 3.485 1.409 ( -0.768 2.266 0.164) 2.398 1.463 ( -0.927 -0.369 0.161) 1.011 1.504 ( 2.583 -2.033 0.777) 3.378 1.590 ( 3.459 -0.621 3.201) 4.753 1.636 ( -3.709 0.913 -0.860) 3.915 1.795 ( -1.431 -13.013 0.502) 13.102 1.828 ( 0.743 -19.776 -1.043) 19.818 1.838 ( 0.167 -18.203 0.489) 18.211 1.848 ( 0.897 -13.943 0.279) 13.975 1.921 ( 0.061 -4.866 -0.457) 4.888 1.988 ( -0.205 -8.968 0.258) 8.974 2.169 ( 2.549 -0.619 1.548) 3.046 2.263 ( -1.939 0.495 -1.596) 2.559 2.324 ( 0.429 -1.540 0.039) 1.599 2.409 ( 0.584 -0.892 0.659) 1.254 2.432 ( -0.268 -0.483 -0.662) 0.862 2.486 ( 1.673 -1.332 -2.645) 3.401 2.515 ( -1.811 -0.855 1.439) 2.466 2.550 ( 1.546 0.733 0.191) 1.721 2.569 ( -1.673 -1.402 0.048) 2.183 2.604 ( -0.455 0.548 0.605) 0.935 2.627 ( -0.689 0.415 0.576) 0.990 2.661 ( 1.084 1.071 -0.402) 1.576 2.719 ( 0.101 0.837 -0.687) 1.088 2.838 ( -1.364 1.780 1.469) 2.681 2.856 ( -0.933 -0.541 -1.781) 2.082 2.899 ( -1.624 3.310 -1.258) 3.895 2.933 ( 1.038 1.920 0.215) 2.193 2.983 ( 0.281 7.541 -0.996) 7.612 2.989 ( -0.078 4.834 0.558) 4.867 3.028 ( 0.294 5.207 -0.827) 5.280 3.046 ( 0.296 5.169 0.513) 5.203 3.086 ( 0.295 8.540 0.469) 8.558 3.158 ( 2.549 5.568 -0.530) 6.146 3.177 ( -1.121 0.577 0.532) 1.368 3.216 ( -0.234 3.382 -0.305) 3.404 3.311 ( 0.564 -0.039 1.240) 1.362 3.368 ( -1.083 -0.170 -0.368) 1.156 3.407 ( 0.599 -0.907 0.299) 1.127 3.469 ( -0.009 1.988 0.619) 2.082 3.488 ( -0.235 0.487 0.123) 0.554 3.676 ( 0.322 -1.608 0.116) 1.644 3.756 ( 0.288 -1.191 -0.122) 1.232 3.810 ( -0.083 -1.151 0.181) 1.168 3.849 ( 0.010 -1.275 -0.197) 1.290 3.858 ( -0.416 -1.127 -0.122) 1.207 3.876 ( 0.140 -1.474 -0.112) 1.485 3.978 ( 0.144 -1.710 0.291) 1.740 3.997 ( -0.304 -1.416 -0.129) 1.454 4.246 ( -0.086 0.836 -0.042) 0.841 4.256 ( -0.016 1.111 0.038) 1.112 4.382 ( 0.228 0.553 0.099) 0.607 4.391 ( -0.165 0.080 -0.092) 0.205 4.509 ( 0.231 -2.608 0.144) 2.622 4.519 ( -0.183 -2.639 -0.147) 2.649 4.628 ( 0.520 -4.093 0.234) 4.132 4.634 ( -0.126 -4.101 -0.204) 4.108 4.795 ( 0.005 1.041 0.140) 1.051 4.809 ( -0.474 1.067 -0.191) 1.183 4.920 ( 0.198 3.422 -0.055) 3.428 4.928 ( 0.347 3.105 0.041) 3.125 5.090 ( 0.084 -0.625 0.072) 0.634 5.110 ( -0.321 -0.166 -0.172) 0.400 5.173 ( -0.085 -0.706 0.032) 0.712 5.178 ( -0.177 -0.641 -0.020) 0.666 7.370 ( -0.274 -1.024 -0.174) 1.074 7.380 ( -0.039 -0.555 -0.019) 0.557 7.412 ( 0.038 -0.350 -0.084) 0.362 7.419 ( 0.337 -0.964 0.087) 1.025 7.990 ( -0.106 -0.020 -0.329) 0.347 8.029 ( 0.143 0.191 -0.025) 0.240 8.031 ( 0.190 -0.865 0.363) 0.957 8.058 ( -0.876 -0.437 -0.384) 1.051 8.113 ( -0.268 0.002 -0.490) 0.558 8.152 ( 0.691 -0.543 0.445) 0.985 8.157 ( 0.396 0.191 0.816) 0.927 8.241 ( -0.997 0.471 -0.409) 1.176 8.372 ( -0.780 -0.693 -0.359) 1.104 8.395 ( 0.635 0.559 0.170) 0.863 8.443 ( -0.285 -0.419 -0.352) 0.617 8.471 ( 0.801 0.894 0.285) 1.233 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 3.529 -1.830 0.943) 4.085 0.717 ( -1.513 -4.749 -3.048) 5.842 0.810 ( 1.610 1.945 1.093) 2.751 0.869 ( 1.944 -0.058 0.810) 2.107 0.894 ( -1.679 -1.570 -0.912) 2.473 0.911 ( 0.133 -4.330 1.351) 4.537 0.944 ( -0.235 -0.129 -0.862) 0.902 0.995 ( 0.648 -0.061 -0.055) 0.653 1.017 ( -0.077 -3.225 0.439) 3.256 1.035 ( 0.928 1.746 0.782) 2.126 1.089 ( -0.170 1.482 -0.551) 1.591 1.143 ( -1.158 5.150 -0.665) 5.320 1.174 ( 0.685 2.714 0.629) 2.869 1.227 ( -0.666 2.727 -0.384) 2.833 1.328 ( -1.732 1.831 0.295) 2.538 1.362 ( -0.802 1.731 0.166) 1.915 1.462 ( -0.264 0.078 -0.176) 0.327 1.546 ( 0.623 -1.030 0.368) 1.259 1.605 ( 2.678 1.034 1.419) 3.202 1.619 ( -2.600 -0.955 -0.486) 2.812 1.862 ( -0.153 -0.561 0.038) 0.583 1.890 ( 0.055 -0.148 -0.037) 0.163 2.115 ( 0.717 -6.170 0.715) 6.252 2.131 ( -0.257 -6.379 -0.882) 6.445 2.182 ( 0.852 -10.415 -0.665) 10.471 2.196 ( -1.582 -8.958 -0.007) 9.096 2.252 ( 2.062 -6.839 0.356) 7.152 2.287 ( -0.600 -6.960 0.570) 7.009 2.365 ( 0.283 -3.214 -0.009) 3.227 2.429 ( -0.198 -1.060 0.793) 1.338 2.446 ( 0.585 -1.269 -0.225) 1.416 2.491 ( -1.113 2.213 -0.038) 2.478 2.531 ( 1.935 -1.396 -0.960) 2.572 2.534 ( -1.069 0.024 -0.197) 1.088 2.568 ( -0.266 0.669 0.242) 0.760 2.605 ( 0.175 0.200 0.303) 0.403 2.608 ( -0.846 1.086 0.727) 1.557 2.652 ( 0.595 0.402 -0.237) 0.756 2.707 ( -0.259 0.609 -1.127) 1.307 2.755 ( -0.891 6.745 1.036) 6.882 2.775 ( 0.171 7.241 -1.543) 7.405 2.793 ( -1.248 6.990 -0.398) 7.111 2.855 ( -1.634 0.174 -0.433) 1.699 2.879 ( 2.822 5.807 1.554) 6.641 2.916 ( -1.094 3.503 -0.143) 3.672 2.931 ( -0.346 0.278 -0.891) 0.995 2.972 ( 0.412 0.890 0.191) 0.999 3.058 ( 0.225 0.105 0.323) 0.407 3.107 ( 3.590 0.929 0.250) 3.717 3.139 ( -2.656 1.923 -1.006) 3.430 3.192 ( 0.132 0.067 0.379) 0.407 3.319 ( 0.288 -0.169 0.649) 0.730 3.367 ( -0.493 -0.177 -0.208) 0.564 3.423 ( 0.091 -0.233 0.038) 0.253 3.442 ( 0.053 0.689 0.225) 0.727 3.481 ( -0.086 0.220 0.054) 0.243 3.698 ( 0.128 -0.572 0.050) 0.589 3.772 ( 0.091 -0.422 -0.046) 0.434 3.825 ( -0.020 -0.421 0.066) 0.427 3.866 ( -0.004 -0.530 -0.077) 0.535 3.870 ( -0.158 -0.365 -0.049) 0.401 3.897 ( 0.064 -0.605 -0.034) 0.609 4.002 ( 0.053 -0.723 0.152) 0.741 4.013 ( -0.162 -0.492 -0.102) 0.528 4.235 ( 0.022 0.233 -0.019) 0.235 4.240 ( -0.033 0.567 0.023) 0.568 4.376 ( 0.096 0.224 0.044) 0.248 4.389 ( -0.092 0.038 -0.045) 0.109 4.546 ( 0.070 -1.092 0.038) 1.095 4.555 ( -0.123 -1.149 -0.037) 1.157 4.697 ( 0.529 -2.472 0.258) 2.541 4.699 ( -0.227 -2.483 -0.238) 2.504 4.782 ( 0.252 0.349 0.229) 0.488 4.788 ( -0.473 0.692 -0.272) 0.881 4.863 ( 0.010 2.283 -0.051) 2.284 4.879 ( 0.146 1.921 0.048) 1.927 5.100 ( 0.116 -0.371 0.084) 0.397 5.109 ( -0.158 0.139 -0.106) 0.235 5.182 ( 0.028 -0.280 0.057) 0.287 5.184 ( -0.144 -0.126 -0.056) 0.200 7.383 ( -0.217 -0.494 -0.131) 0.555 7.387 ( 0.099 -0.132 0.013) 0.166 7.414 ( -0.007 -0.059 -0.015) 0.061 7.435 ( 0.148 -0.454 0.050) 0.480 7.990 ( -0.051 -0.030 -0.096) 0.113 8.027 ( 0.073 0.071 -0.040) 0.109 8.046 ( 0.171 -0.492 0.228) 0.569 8.057 ( -0.328 0.105 -0.199) 0.397 8.112 ( -0.144 -0.030 -0.109) 0.183 8.157 ( 0.382 0.009 0.115) 0.399 8.164 ( 0.025 -0.223 0.311) 0.384 8.228 ( -0.419 0.278 -0.186) 0.536 8.379 ( -0.334 -0.317 -0.128) 0.478 8.390 ( 0.290 0.243 0.107) 0.393 8.449 ( -0.343 -0.550 -0.357) 0.740 8.459 ( 0.556 0.735 0.308) 0.972 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.121 ( 9.775 -0.000 6.193) 11.572 0.127 ( 5.324 -0.000 14.974) 15.892 0.216 ( 20.736 -0.000 4.481) 21.214 0.509 ( 1.666 -0.000 1.092) 1.992 0.603 ( 1.156 -0.000 -0.692) 1.347 0.672 ( -0.035 0.000 -1.002) 1.002 0.700 ( -1.865 0.000 -0.303) 1.889 0.740 ( 5.175 -0.000 2.485) 5.741 0.835 ( -1.939 0.000 -4.109) 4.544 0.974 ( -1.761 0.000 0.888) 1.972 0.999 ( -1.532 0.000 -0.728) 1.697 1.172 ( -1.248 0.000 -1.897) 2.271 1.228 ( 1.595 -0.000 0.715) 1.748 1.260 ( 0.957 -0.000 -0.330) 1.012 1.299 ( -0.481 0.000 0.269) 0.551 1.376 ( 1.511 -0.000 -1.683) 2.262 1.409 ( 0.112 -0.000 1.146) 1.151 1.431 ( -1.472 0.000 0.937) 1.745 1.436 ( -1.170 0.000 -0.688) 1.357 1.496 ( -0.812 0.000 -0.721) 1.086 1.512 ( 0.225 -0.000 1.260) 1.279 1.690 ( -1.055 0.000 -2.713) 2.911 1.707 ( -0.921 0.000 2.637) 2.794 1.775 ( -2.605 0.000 -0.883) 2.751 1.916 ( 4.694 -0.000 -8.200) 9.449 1.931 ( 0.065 -0.000 -0.076) 0.100 2.193 ( -0.332 0.000 -1.441) 1.478 2.258 ( 2.233 -0.000 2.271) 3.185 2.342 ( -0.301 0.000 -0.529) 0.609 2.354 ( -0.441 0.000 -2.562) 2.600 2.377 ( 1.290 -0.000 1.390) 1.896 2.381 ( -0.008 0.000 -0.180) 0.180 2.440 ( -0.151 0.000 0.398) 0.426 2.490 ( -3.756 0.000 -1.859) 4.191 2.587 ( 0.163 -0.000 0.125) 0.206 2.608 ( 7.034 -0.000 -2.200) 7.370 2.654 ( -5.618 0.000 10.994) 12.347 2.661 ( -1.902 0.000 -2.118) 2.847 2.764 ( 0.398 -0.000 1.157) 1.224 2.767 ( -0.519 0.000 -0.026) 0.520 2.872 ( -1.169 0.000 1.840) 2.180 2.963 ( -0.987 0.000 1.782) 2.037 2.981 ( 0.738 -0.000 0.218) 0.769 3.064 ( 1.492 -0.000 -0.385) 1.541 3.143 ( -1.601 0.000 -4.287) 4.576 3.162 ( -2.461 0.000 1.632) 2.953 3.225 ( 1.869 -0.000 3.479) 3.950 3.260 ( 1.363 -0.000 -1.656) 2.144 3.346 ( -0.411 0.000 -0.297) 0.507 3.385 ( -3.317 0.000 4.801) 5.835 3.423 ( -0.151 0.000 -0.559) 0.579 3.441 ( 0.764 -0.000 0.165) 0.782 3.469 ( 0.166 -0.000 -0.023) 0.168 3.496 ( 0.402 -0.000 -0.915) 0.999 3.507 ( -1.108 0.000 -0.868) 1.408 3.564 ( 0.460 -0.000 2.733) 2.772 3.571 ( 0.931 -0.000 -0.160) 0.945 3.678 ( 0.340 -0.000 -0.221) 0.405 3.731 ( 0.456 -0.000 -0.445) 0.638 3.767 ( -0.245 0.000 -0.253) 0.352 3.791 ( 0.133 -0.000 0.071) 0.150 3.826 ( -0.648 0.000 -0.522) 0.832 3.908 ( 0.113 -0.000 0.315) 0.334 3.912 ( -0.892 0.000 1.696) 1.916 4.296 ( -0.193 0.000 -0.123) 0.229 4.299 ( 0.063 -0.000 0.041) 0.076 4.381 ( 0.400 -0.000 0.141) 0.424 4.398 ( 0.106 -0.000 -0.353) 0.368 4.433 ( 0.184 -0.000 0.021) 0.185 4.434 ( -0.052 0.000 0.020) 0.055 4.457 ( -0.380 0.000 -0.167) 0.415 4.460 ( 0.312 -0.000 -0.848) 0.904 4.829 ( 0.121 -0.000 -0.009) 0.121 4.855 ( 0.117 -0.000 -0.006) 0.118 5.037 ( 0.230 -0.000 0.081) 0.244 5.047 ( -0.103 0.000 -0.058) 0.118 5.056 ( -0.219 0.000 -0.072) 0.231 5.056 ( 0.259 -0.000 -0.477) 0.543 5.120 ( 0.340 -0.000 -0.324) 0.469 5.127 ( -0.148 0.000 -0.164) 0.221 7.330 ( -0.042 0.000 0.027) 0.050 7.356 ( -0.320 0.000 -0.177) 0.366 7.380 ( 0.039 -0.000 -0.132) 0.138 7.391 ( 0.459 -0.000 -0.187) 0.496 7.923 ( 0.004 -0.000 -0.268) 0.268 7.983 ( 0.291 -0.000 -0.265) 0.394 8.019 ( -1.173 0.000 1.396) 1.823 8.050 ( -0.389 0.000 -0.053) 0.393 8.130 ( 0.624 -0.000 -1.220) 1.370 8.138 ( 5.861 -0.000 -9.770) 11.393 8.169 ( 0.699 -0.000 -0.315) 0.767 8.176 ( 0.833 -0.000 0.574) 1.011 8.301 ( -0.674 0.000 0.012) 0.674 8.416 ( 0.375 -0.000 -0.060) 0.380 8.494 ( -2.683 0.000 4.157) 4.947 8.498 ( -0.154 0.000 -0.104) 0.186 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( 6.072 -7.372 6.708) 11.671 0.356 ( 11.992 -7.528 3.107) 14.496 0.557 ( 2.173 -4.422 1.731) 5.223 0.652 ( 2.860 -25.870 2.384) 26.137 0.742 ( 3.764 -1.224 2.182) 4.520 0.781 ( 0.705 -11.372 -1.355) 11.474 0.833 ( 0.523 -8.916 -1.638) 9.081 0.862 ( -1.493 -9.529 -1.921) 9.834 0.875 ( -1.934 -15.201 -0.014) 15.324 0.980 ( 0.302 -1.995 -2.157) 2.954 1.050 ( -3.489 -6.451 -0.421) 7.346 1.125 ( -0.043 -0.408 -0.027) 0.411 1.189 ( 1.964 3.439 -0.616) 4.007 1.245 ( 0.579 3.547 0.406) 3.617 1.301 ( 0.546 -1.221 -0.240) 1.359 1.355 ( -1.359 0.840 1.516) 2.203 1.391 ( 1.553 -0.174 0.025) 1.563 1.424 ( -1.662 -0.063 -0.347) 1.699 1.455 ( -0.829 2.947 -0.084) 3.062 1.493 ( -0.429 -1.897 0.162) 1.952 1.526 ( 0.020 -1.327 1.539) 2.033 1.645 ( -1.280 3.610 -2.099) 4.368 1.695 ( -0.786 1.013 2.225) 2.568 1.728 ( -4.213 2.605 -0.616) 4.991 1.902 ( 1.128 0.256 -1.287) 1.731 1.932 ( 0.635 0.158 0.022) 0.655 2.190 ( 0.875 0.638 -0.439) 1.168 2.276 ( 0.379 -0.591 0.367) 0.792 2.299 ( 0.410 1.305 -0.405) 1.427 2.370 ( 0.523 -0.626 0.045) 0.817 2.414 ( -1.034 -1.572 -1.504) 2.409 2.419 ( 0.128 -2.260 -1.065) 2.501 2.452 ( -0.005 -2.156 0.627) 2.245 2.480 ( -1.769 -0.797 -0.390) 1.979 2.581 ( 2.154 0.572 1.220) 2.540 2.614 ( 1.067 0.047 1.477) 1.823 2.632 ( 0.043 0.112 0.850) 0.858 2.691 ( -2.626 -0.098 -2.313) 3.500 2.765 ( -0.181 0.296 -0.053) 0.352 2.800 ( -0.804 -2.099 -0.681) 2.348 2.865 ( -2.090 0.575 2.433) 3.259 2.939 ( 1.758 1.520 -0.530) 2.384 2.981 ( -0.011 0.591 1.712) 1.811 3.059 ( 2.300 1.153 -1.081) 2.790 3.115 ( -1.082 1.116 -3.930) 4.226 3.156 ( -3.090 0.082 1.291) 3.350 3.227 ( 2.126 2.780 1.037) 3.651 3.244 ( 3.758 3.586 1.340) 5.364 3.281 ( 0.421 0.039 1.676) 1.729 3.336 ( -0.632 1.076 0.283) 1.280 3.383 ( -0.106 4.884 -0.179) 4.888 3.412 ( 0.067 4.504 -0.257) 4.512 3.432 ( 0.477 3.319 -0.068) 3.353 3.452 ( -0.158 3.489 -0.207) 3.499 3.498 ( -1.077 0.508 -0.089) 1.194 3.560 ( 0.235 1.794 2.412) 3.016 3.599 ( 0.671 -2.083 0.022) 2.188 3.698 ( 0.655 -1.629 -0.251) 1.773 3.749 ( 0.084 -1.712 0.257) 1.734 3.789 ( -0.317 -2.018 -0.299) 2.065 3.802 ( 0.172 -1.117 -0.048) 1.131 3.826 ( -0.565 -0.606 -0.596) 1.021 3.919 ( 0.294 -0.965 0.394) 1.083 3.928 ( -0.145 -1.655 0.270) 1.684 4.283 ( -0.375 0.962 -0.166) 1.045 4.294 ( 0.078 0.668 0.091) 0.679 4.402 ( 0.041 0.863 0.133) 0.874 4.405 ( 0.046 -1.674 0.008) 1.674 4.418 ( 0.075 -1.583 -0.222) 1.600 4.422 ( 0.361 0.520 0.112) 0.642 4.486 ( 0.512 -3.032 0.184) 3.080 4.501 ( -0.437 -2.817 -0.144) 2.854 4.825 ( 0.068 0.482 -0.007) 0.487 4.848 ( -0.027 0.779 -0.066) 0.783 5.030 ( 0.008 2.183 -0.070) 2.184 5.031 ( 0.304 1.919 0.046) 1.943 5.057 ( -0.059 -0.912 -0.113) 0.921 5.083 ( -1.433 -1.723 -0.791) 2.376 5.132 ( 0.061 -1.148 0.087) 1.153 5.139 ( -0.223 -1.150 -0.087) 1.175 7.335 ( -0.126 -0.568 0.001) 0.582 7.357 ( -0.381 -0.424 -0.138) 0.587 7.382 ( 0.341 -0.405 -0.075) 0.535 7.397 ( 0.327 -0.523 -0.024) 0.617 7.982 ( -0.929 -1.800 -1.830) 2.730 7.999 ( -1.531 -2.022 -0.157) 2.541 8.009 ( -1.448 0.295 0.717) 1.643 8.041 ( 0.286 0.420 -0.176) 0.538 8.119 ( 2.289 0.521 -0.549) 2.411 8.134 ( 0.565 -0.381 0.292) 0.741 8.173 ( 0.790 0.323 0.594) 1.040 8.232 ( -1.675 -1.683 -2.265) 3.282 8.323 ( -1.888 -2.163 -1.596) 3.285 8.422 ( 0.954 -0.225 -0.758) 1.239 8.448 ( -0.455 2.211 2.280) 3.209 8.502 ( 0.621 0.483 0.266) 0.830 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 6.098 -8.157 1.846) 10.350 0.533 ( 6.923 -5.656 2.807) 9.370 0.655 ( 2.669 -5.025 1.476) 5.879 0.754 ( 1.310 -0.090 0.964) 1.629 0.823 ( -1.138 -2.767 -1.426) 3.314 0.892 ( -1.489 0.038 -2.128) 2.597 0.981 ( 0.120 -1.088 -0.239) 1.120 0.998 ( -0.023 -3.183 -0.101) 3.185 1.018 ( -0.004 3.977 0.152) 3.980 1.078 ( -0.188 -1.351 -0.464) 1.441 1.204 ( 1.415 -14.524 0.264) 14.595 1.258 ( 1.071 0.279 -0.272) 1.140 1.291 ( -0.797 -5.464 1.139) 5.638 1.308 ( -0.274 -6.435 -1.957) 6.731 1.344 ( -1.200 -1.245 0.395) 1.774 1.355 ( 0.360 -9.014 -0.610) 9.042 1.378 ( -1.159 -3.415 -1.424) 3.877 1.454 ( 1.303 -11.108 2.646) 11.493 1.470 ( -1.932 -7.876 1.406) 8.230 1.516 ( 0.999 -1.845 0.187) 2.106 1.572 ( 0.329 -2.762 1.237) 3.044 1.582 ( -0.570 -1.558 -0.580) 1.758 1.662 ( -4.387 0.868 0.434) 4.493 1.691 ( -0.617 -1.318 0.768) 1.646 1.901 ( -0.076 -0.114 -0.439) 0.460 1.935 ( 0.814 -0.302 0.171) 0.885 2.185 ( 2.043 0.476 0.921) 2.291 2.269 ( -0.819 1.070 -1.619) 2.106 2.298 ( 0.106 -1.044 -0.072) 1.052 2.394 ( 1.040 -1.287 0.403) 1.703 2.421 ( -0.395 -0.321 -0.954) 1.082 2.453 ( 0.128 -1.978 -2.415) 3.125 2.489 ( -0.290 -1.151 0.419) 1.259 2.513 ( -2.138 -3.153 0.557) 3.850 2.583 ( 2.085 0.802 0.910) 2.412 2.615 ( -0.138 0.453 1.161) 1.254 2.626 ( -1.700 0.065 -0.453) 1.760 2.680 ( 1.301 0.459 -0.214) 1.396 2.743 ( -0.527 1.825 0.071) 1.901 2.825 ( -0.509 -1.528 -1.914) 2.502 2.856 ( -1.854 0.104 2.244) 2.912 2.916 ( 0.590 1.657 -1.759) 2.487 2.970 ( 0.256 0.937 1.718) 1.973 3.039 ( 1.812 2.022 -0.817) 2.835 3.074 ( -0.071 1.753 -3.369) 3.798 3.113 ( 0.076 4.583 -0.580) 4.620 3.168 ( -1.621 4.130 -0.019) 4.437 3.191 ( 0.886 3.701 3.265) 5.015 3.253 ( -0.285 7.702 -0.270) 7.712 3.281 ( 0.114 3.359 0.076) 3.361 3.298 ( 0.626 6.357 -0.456) 6.404 3.318 ( 0.843 0.718 1.117) 1.573 3.374 ( -0.495 2.206 -0.393) 2.295 3.409 ( 0.650 0.791 0.438) 1.113 3.487 ( -0.679 0.292 0.102) 0.747 3.522 ( 0.041 2.643 1.476) 3.027 3.643 ( 0.561 -2.153 0.144) 2.230 3.732 ( 0.655 -1.602 -0.240) 1.747 3.783 ( -0.178 -1.700 0.360) 1.747 3.821 ( -0.059 -1.567 -0.384) 1.615 3.828 ( -0.472 -1.714 -0.193) 1.788 3.846 ( 0.057 -1.667 -0.217) 1.682 3.947 ( 0.276 -1.686 0.360) 1.746 3.963 ( -0.318 -1.979 -0.031) 2.005 4.262 ( -0.332 1.025 -0.125) 1.085 4.277 ( 0.056 1.106 0.091) 1.111 4.392 ( -0.089 0.286 0.042) 0.303 4.398 ( 0.187 0.838 -0.014) 0.859 4.458 ( 0.226 -2.887 0.171) 2.901 4.467 ( 0.319 -2.779 -0.132) 2.801 4.554 ( 0.396 -4.033 0.139) 4.055 4.559 ( -0.342 -3.728 -0.106) 3.745 4.813 ( -0.090 0.843 0.045) 0.849 4.828 ( -0.293 1.241 -0.098) 1.279 4.982 ( 0.227 3.002 -0.092) 3.012 4.987 ( 0.554 2.957 0.049) 3.009 5.075 ( -0.039 -0.987 -0.026) 0.988 5.098 ( -0.718 -0.833 -0.310) 1.143 5.155 ( -0.144 -1.162 0.039) 1.171 5.160 ( -0.240 -1.128 -0.008) 1.153 7.349 ( -0.239 -0.971 -0.106) 1.006 7.367 ( -0.234 -0.750 -0.055) 0.787 7.398 ( 0.462 -1.005 0.006) 1.106 7.408 ( 0.122 -0.502 -0.113) 0.529 7.988 ( 0.017 -0.004 -0.832) 0.833 8.015 ( -0.276 -1.018 0.705) 1.269 8.027 ( -1.541 -1.792 -1.577) 2.841 8.036 ( -0.107 0.218 0.768) 0.805 8.115 ( 0.449 0.407 -0.369) 0.709 8.149 ( 0.953 -0.469 0.575) 1.208 8.170 ( 0.675 0.541 1.027) 1.342 8.236 ( -1.547 -0.243 -0.865) 1.789 8.347 ( -1.273 -1.520 -0.906) 2.180 8.415 ( 1.046 1.212 0.068) 1.602 8.433 ( -0.488 -0.312 0.047) 0.581 8.493 ( 0.860 0.919 0.263) 1.286 ======================= Grid point 13 (9/95) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 5.449 -4.083 -0.315) 6.816 0.633 ( 1.516 -2.849 -0.405) 3.252 0.770 ( 1.806 -6.397 1.637) 6.846 0.795 ( 1.464 -3.702 -0.484) 4.010 0.858 ( -0.718 -1.489 0.951) 1.907 0.909 ( -2.817 -4.168 -1.529) 5.258 0.936 ( 1.748 3.984 0.265) 4.359 0.987 ( 1.308 2.573 0.186) 2.893 1.018 ( 1.466 -0.617 -0.218) 1.605 1.079 ( 1.565 0.040 0.236) 1.583 1.156 ( 0.677 6.133 0.633) 6.203 1.218 ( -2.484 5.025 0.189) 5.608 1.256 ( -1.055 4.714 -1.251) 4.990 1.295 ( -0.191 3.517 -0.060) 3.523 1.344 ( -3.128 0.705 0.168) 3.210 1.404 ( -0.500 1.447 0.132) 1.536 1.451 ( -1.706 -0.568 -0.118) 1.802 1.528 ( 1.395 -1.146 0.517) 1.878 1.583 ( -4.479 -0.236 -0.599) 4.525 1.650 ( 3.629 0.381 3.582) 5.114 1.787 ( -0.628 -11.811 0.381) 11.834 1.829 ( 0.648 -19.834 -0.949) 19.868 1.842 ( 0.207 -18.889 0.539) 18.898 1.857 ( 0.507 -14.285 0.351) 14.298 1.920 ( 0.155 -5.953 -0.543) 5.979 1.987 ( -0.328 -7.896 0.233) 7.906 2.203 ( 3.055 -1.087 1.560) 3.598 2.239 ( -1.507 0.776 -1.512) 2.272 2.323 ( -0.457 -1.799 -0.037) 1.856 2.416 ( 0.116 -0.418 0.341) 0.552 2.428 ( 0.448 -0.912 -0.610) 1.185 2.483 ( 0.384 -1.700 -2.091) 2.722 2.510 ( 0.123 -1.007 0.356) 1.075 2.544 ( -2.893 -1.260 -0.504) 3.195 2.570 ( 1.813 1.490 0.205) 2.356 2.609 ( 0.286 0.195 1.011) 1.069 2.620 ( -1.201 0.168 0.275) 1.243 2.666 ( -0.150 1.433 0.503) 1.526 2.716 ( 0.376 0.697 -0.576) 0.979 2.837 ( 0.052 0.264 -1.667) 1.688 2.842 ( -0.928 1.611 1.612) 2.461 2.874 ( -1.914 2.378 -1.516) 3.408 2.945 ( 1.037 2.942 0.618) 3.180 2.977 ( -0.070 8.671 -1.398) 8.784 2.998 ( 0.915 2.530 0.800) 2.807 3.018 ( -1.028 7.591 -0.917) 7.715 3.052 ( 0.437 4.465 0.380) 4.502 3.092 ( 0.658 6.847 -0.193) 6.881 3.159 ( -0.876 2.903 -0.704) 3.113 3.188 ( 1.757 3.814 0.705) 4.258 3.213 ( -0.108 3.316 0.007) 3.318 3.324 ( 0.701 0.021 1.269) 1.450 3.356 ( -1.165 -0.245 -0.393) 1.254 3.415 ( 0.770 -0.593 0.296) 1.016 3.472 ( -0.212 1.978 0.805) 2.146 3.485 ( -0.341 0.528 -0.008) 0.629 3.680 ( 0.359 -1.485 0.128) 1.534 3.758 ( 0.335 -1.078 -0.145) 1.138 3.810 ( -0.098 -1.158 0.218) 1.182 3.847 ( -0.134 -1.349 -0.310) 1.390 3.855 ( -0.213 -1.222 -0.043) 1.241 3.877 ( 0.082 -1.485 -0.110) 1.492 3.980 ( 0.138 -1.620 0.302) 1.654 3.993 ( -0.358 -1.447 -0.146) 1.498 4.244 ( -0.149 0.724 -0.059) 0.742 4.256 ( 0.047 1.144 0.057) 1.146 4.385 ( 0.261 0.628 0.123) 0.691 4.389 ( -0.182 0.054 -0.114) 0.222 4.512 ( 0.227 -2.473 0.133) 2.487 4.517 ( -0.150 -2.612 -0.121) 2.619 4.632 ( -0.122 -4.135 -0.216) 4.143 4.634 ( 0.537 -4.151 0.233) 4.193 4.796 ( -0.015 0.902 0.143) 0.913 4.803 ( -0.503 1.160 -0.199) 1.280 4.922 ( 0.190 3.515 -0.093) 3.522 4.932 ( 0.402 3.192 0.070) 3.218 5.091 ( 0.061 -0.688 0.049) 0.692 5.106 ( -0.311 -0.308 -0.155) 0.464 5.172 ( -0.103 -0.761 0.035) 0.768 5.176 ( -0.206 -0.649 -0.025) 0.682 7.366 ( -0.282 -1.010 -0.181) 1.064 7.380 ( -0.013 -0.661 -0.012) 0.661 7.411 ( 0.034 -0.248 -0.098) 0.268 7.423 ( 0.334 -0.978 0.077) 1.037 7.988 ( -0.105 -0.111 -0.291) 0.329 8.031 ( 0.381 0.190 -0.396) 0.582 8.035 ( 0.046 -0.815 0.479) 0.946 8.047 ( -1.060 -0.962 -0.223) 1.449 8.110 ( -0.039 0.094 -0.167) 0.195 8.160 ( 0.811 -0.277 0.062) 0.859 8.166 ( 0.312 0.429 1.031) 1.159 8.228 ( -1.222 0.112 -0.492) 1.322 8.364 ( -0.591 -0.989 -0.359) 1.207 8.402 ( 0.540 0.708 0.287) 0.936 8.438 ( -0.283 -0.408 -0.492) 0.699 8.479 ( 0.728 0.985 0.276) 1.256 ======================= Grid point 14 (10/95) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 1.162 1.264 -0.968) 1.971 0.696 ( 0.121 -5.308 -1.308) 5.469 0.831 ( 1.392 2.045 1.454) 2.869 0.863 ( -2.210 0.116 -0.268) 2.229 0.903 ( 3.102 -1.489 -0.216) 3.448 0.923 ( 0.714 -4.247 1.800) 4.667 0.939 ( -0.161 0.535 -0.695) 0.892 0.996 ( -0.683 -0.652 0.468) 1.054 1.018 ( -0.226 -4.177 -0.495) 4.212 1.051 ( 1.972 3.427 0.561) 3.993 1.083 ( -0.661 3.820 -0.107) 3.878 1.134 ( -0.461 3.136 -0.076) 3.171 1.184 ( 0.767 2.131 0.510) 2.322 1.217 ( -0.684 2.720 -0.772) 2.909 1.309 ( -2.091 0.470 -0.131) 2.147 1.368 ( 1.183 1.413 0.743) 1.987 1.453 ( -1.147 -0.491 -0.660) 1.411 1.539 ( -2.717 -0.849 -1.364) 3.157 1.578 ( -1.632 -0.118 0.320) 1.668 1.660 ( 3.725 1.036 2.205) 4.451 1.863 ( 0.193 -0.600 0.184) 0.656 1.889 ( -0.123 -0.177 -0.094) 0.235 2.123 ( -0.231 -5.164 -0.599) 5.204 2.127 ( 0.967 -6.785 0.133) 6.855 2.181 ( -1.796 -9.144 -0.051) 9.319 2.187 ( 0.837 -10.549 -0.358) 10.588 2.259 ( -0.456 -6.052 0.084) 6.070 2.298 ( 2.237 -6.954 0.144) 7.306 2.368 ( -0.066 -3.620 1.078) 3.778 2.429 ( -0.354 -0.738 0.259) 0.858 2.449 ( 0.289 -1.319 -0.295) 1.382 2.483 ( -0.795 0.886 0.326) 1.234 2.520 ( -1.097 1.635 -0.739) 2.103 2.543 ( 1.907 -1.931 -1.670) 3.187 2.573 ( 0.431 -0.552 1.129) 1.328 2.597 ( -0.849 2.019 -0.073) 2.191 2.617 ( 0.477 -0.128 0.979) 1.096 2.649 ( -1.033 0.220 0.132) 1.065 2.692 ( -1.108 1.713 -0.783) 2.185 2.746 ( -1.151 7.002 -1.529) 7.259 2.779 ( 0.924 4.970 0.067) 5.055 2.789 ( 1.072 6.669 -0.041) 6.755 2.839 ( -1.791 2.013 0.679) 2.778 2.896 ( -0.703 3.886 -1.326) 4.165 2.903 ( 0.195 1.492 -0.705) 1.661 2.941 ( 1.504 2.448 2.702) 3.944 2.984 ( 1.517 1.234 0.727) 2.086 3.054 ( -0.489 0.358 -1.111) 1.266 3.106 ( -2.848 2.243 -1.439) 3.900 3.140 ( 3.105 0.674 0.130) 3.180 3.193 ( -0.511 0.379 0.793) 1.016 3.325 ( 0.356 0.426 0.548) 0.780 3.361 ( -0.621 -0.741 -0.273) 1.005 3.427 ( 0.548 0.001 0.029) 0.549 3.442 ( -0.311 0.760 0.315) 0.879 3.480 ( -0.109 0.142 -0.024) 0.180 3.699 ( 0.090 -0.430 0.029) 0.441 3.773 ( 0.075 -0.357 -0.041) 0.367 3.825 ( -0.006 -0.403 0.066) 0.408 3.865 ( -0.089 -0.612 -0.090) 0.625 3.870 ( 0.074 -0.468 0.027) 0.475 3.897 ( -0.046 -0.591 -0.059) 0.596 4.003 ( 0.016 -0.599 0.095) 0.607 4.012 ( -0.122 -0.685 -0.060) 0.698 4.235 ( -0.026 0.195 -0.021) 0.198 4.240 ( 0.012 0.589 0.024) 0.590 4.377 ( 0.081 0.338 0.043) 0.351 4.389 ( -0.057 -0.062 -0.039) 0.093 4.545 ( -0.090 -1.042 -0.070) 1.048 4.555 ( 0.036 -1.226 0.073) 1.229 4.695 ( -0.176 -2.354 -0.199) 2.369 4.703 ( 0.473 -2.382 0.233) 2.439 4.782 ( -0.364 0.634 -0.199) 0.758 4.785 ( 0.164 0.188 0.162) 0.298 4.862 ( -0.090 2.322 -0.120) 2.327 4.881 ( 0.190 2.069 0.092) 2.080 5.101 ( 0.100 -0.315 0.072) 0.338 5.107 ( -0.135 0.018 -0.092) 0.164 5.182 ( -0.093 -0.241 -0.028) 0.259 5.182 ( -0.011 -0.271 0.029) 0.273 7.380 ( -0.206 -0.598 -0.126) 0.645 7.389 ( 0.162 -0.182 0.054) 0.249 7.414 ( -0.072 -0.081 -0.048) 0.118 7.437 ( 0.137 -0.300 0.048) 0.333 7.989 ( -0.043 -0.123 -0.063) 0.145 8.028 ( 0.138 0.135 -0.058) 0.202 8.047 ( -0.164 -0.340 0.025) 0.379 8.054 ( -0.080 -0.249 -0.020) 0.262 8.111 ( -0.052 -0.155 0.001) 0.164 8.160 ( 0.014 0.398 0.296) 0.496 8.167 ( 0.384 -0.008 -0.026) 0.385 8.224 ( -0.459 -0.235 -0.133) 0.532 8.375 ( -0.315 -0.511 -0.158) 0.621 8.394 ( 0.421 0.428 0.231) 0.643 8.444 ( -0.370 -0.552 -0.368) 0.760 8.465 ( 0.422 0.855 0.236) 0.982 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -2.784 3.781 -1.093) 4.821 0.746 ( 1.445 4.861 2.489) 5.649 0.795 ( -0.905 -1.161 -0.399) 1.526 0.846 ( -1.814 0.332 -0.830) 2.022 0.902 ( 0.133 4.278 -1.222) 4.451 0.910 ( 0.102 0.369 0.578) 0.694 0.962 ( 2.598 2.226 1.373) 3.686 0.986 ( -1.257 -0.045 0.211) 1.275 1.014 ( -0.475 2.227 -0.950) 2.467 1.025 ( -0.544 -1.418 -0.438) 1.581 1.094 ( 0.414 0.271 0.496) 0.701 1.156 ( 0.443 -6.904 0.690) 6.953 1.167 ( -0.062 -2.602 -0.525) 2.655 1.233 ( 0.454 -3.269 0.040) 3.300 1.333 ( 0.270 -3.321 -0.483) 3.367 1.383 ( 3.267 -1.326 0.643) 3.584 1.455 ( -1.794 -0.554 -0.703) 2.005 1.534 ( -1.257 0.744 -1.089) 1.822 1.564 ( -2.431 0.054 -0.592) 2.502 1.657 ( 2.823 1.052 1.024) 3.182 1.865 ( 0.344 0.410 0.080) 0.541 1.888 ( -0.191 0.193 -0.020) 0.272 2.106 ( -0.437 5.258 -0.561) 5.306 2.136 ( 0.108 7.916 0.350) 7.924 2.180 ( -0.429 9.871 0.786) 9.912 2.208 ( 1.079 9.043 -0.152) 9.108 2.230 ( -1.850 9.316 -0.346) 9.505 2.294 ( 1.268 3.715 -0.495) 3.956 2.362 ( -0.672 4.735 0.607) 4.821 2.425 ( -0.072 1.152 -0.835) 1.424 2.442 ( -0.454 1.078 0.060) 1.171 2.502 ( 0.781 -2.301 0.452) 2.471 2.517 ( -1.217 2.228 -0.130) 2.542 2.547 ( 1.687 -1.033 -0.054) 1.979 2.570 ( -0.153 -1.577 0.117) 1.589 2.599 ( -0.371 0.371 0.029) 0.525 2.616 ( 0.708 -0.940 -0.497) 1.277 2.644 ( -1.021 0.024 0.299) 1.064 2.705 ( -0.901 -2.485 0.328) 2.664 2.767 ( 1.761 -7.524 -0.449) 7.741 2.779 ( 0.519 -7.153 0.857) 7.223 2.812 ( 1.043 -3.898 0.938) 4.142 2.846 ( -2.019 -7.888 -1.454) 8.272 2.867 ( 0.601 -0.720 0.261) 0.974 2.918 ( -0.019 -2.412 -1.100) 2.651 2.946 ( 0.664 -1.820 2.411) 3.093 2.979 ( 1.506 0.244 0.566) 1.627 3.045 ( -1.415 0.927 -1.376) 2.181 3.076 ( -2.484 -2.148 -0.452) 3.315 3.164 ( 2.018 -1.253 0.457) 2.419 3.187 ( -0.714 -0.191 0.122) 0.750 3.314 ( -0.131 0.720 -0.440) 0.854 3.371 ( 0.182 -0.378 0.066) 0.425 3.425 ( 0.317 0.642 -0.000) 0.716 3.439 ( -0.305 -0.708 -0.088) 0.776 3.481 ( 0.036 -0.304 -0.080) 0.316 3.697 ( -0.097 0.691 -0.042) 0.699 3.772 ( -0.062 0.478 0.029) 0.483 3.825 ( 0.021 0.437 -0.038) 0.439 3.866 ( -0.040 0.471 0.030) 0.473 3.873 ( 0.245 0.269 0.085) 0.374 3.896 ( -0.126 0.609 -0.000) 0.622 4.001 ( -0.045 0.800 -0.113) 0.809 4.015 ( 0.109 0.360 0.073) 0.384 4.235 ( -0.037 -0.261 0.008) 0.263 4.240 ( 0.041 -0.558 -0.012) 0.559 4.375 ( -0.059 -0.128 -0.025) 0.143 4.390 ( 0.070 -0.117 0.029) 0.139 4.544 ( -0.115 1.129 -0.073) 1.137 4.557 ( 0.148 1.080 0.075) 1.093 4.692 ( -0.351 2.562 -0.167) 2.592 4.702 ( 0.171 2.616 0.163) 2.627 4.778 ( -0.179 -0.467 -0.156) 0.524 4.793 ( 0.328 -0.770 0.187) 0.857 4.863 ( -0.101 -2.313 -0.034) 2.315 4.878 ( -0.031 -1.747 0.018) 1.748 5.098 ( -0.076 0.404 -0.055) 0.414 5.110 ( 0.105 -0.230 0.070) 0.263 5.181 ( -0.019 0.223 -0.037) 0.227 5.185 ( 0.093 0.092 0.036) 0.136 7.384 ( -0.009 0.163 0.005) 0.163 7.388 ( 0.135 0.339 0.098) 0.378 7.414 ( -0.052 0.007 -0.021) 0.057 7.434 ( -0.087 0.610 -0.028) 0.617 7.991 ( 0.034 -0.061 0.078) 0.104 8.027 ( -0.003 -0.022 0.016) 0.027 8.043 ( -0.186 0.521 -0.184) 0.584 8.060 ( 0.222 -0.285 0.144) 0.389 8.114 ( 0.152 -0.152 0.150) 0.262 8.153 ( -0.325 0.217 -0.015) 0.391 8.162 ( 0.058 0.555 -0.342) 0.654 8.232 ( 0.232 -0.707 0.138) 0.756 8.381 ( -0.002 -0.204 -0.058) 0.212 8.390 ( 0.136 0.267 0.132) 0.327 8.453 ( -0.235 -0.381 -0.072) 0.454 8.454 ( -0.002 0.312 0.046) 0.315 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -2.776 4.331 -0.273) 5.152 0.615 ( -0.547 9.028 0.138) 9.046 0.743 ( -0.251 5.889 -0.194) 5.898 0.783 ( -0.108 4.471 -0.770) 4.538 0.885 ( 0.891 1.819 2.117) 2.930 0.906 ( -0.581 -3.961 -0.031) 4.003 0.927 ( -0.695 1.991 -1.442) 2.555 0.983 ( -0.020 0.022 0.254) 0.256 1.004 ( -0.063 -3.095 0.153) 3.099 1.063 ( -0.050 0.735 -0.055) 0.739 1.141 ( -0.286 -6.825 -0.134) 6.832 1.251 ( 0.581 -4.582 0.069) 4.619 1.275 ( 0.318 -4.580 0.016) 4.591 1.310 ( 0.696 -4.323 0.384) 4.396 1.404 ( 2.016 -0.890 0.893) 2.378 1.415 ( 0.862 -0.988 -0.725) 1.499 1.462 ( -0.716 -1.508 -0.549) 1.757 1.482 ( -1.437 2.766 -0.083) 3.118 1.551 ( -1.600 1.422 -1.395) 2.555 1.665 ( 1.587 -0.866 0.448) 1.863 1.805 ( 1.085 15.922 -0.400) 15.963 1.826 ( -0.647 16.279 0.664) 16.306 1.835 ( -0.046 18.544 -0.231) 18.546 1.840 ( -0.498 14.189 -0.091) 14.198 1.923 ( -0.013 4.348 0.175) 4.352 1.988 ( 0.066 9.579 -0.110) 9.580 2.146 ( -1.009 0.480 -0.673) 1.305 2.288 ( 1.713 -0.213 1.019) 2.004 2.315 ( -1.132 1.166 -0.327) 1.657 2.402 ( -0.228 0.976 -0.263) 1.036 2.436 ( 0.137 0.140 0.179) 0.265 2.485 ( -0.778 0.805 1.366) 1.767 2.513 ( -0.072 0.171 -1.372) 1.384 2.553 ( 1.301 1.420 0.819) 2.093 2.570 ( -0.634 1.231 -0.766) 1.583 2.612 ( 1.126 -0.446 0.163) 1.222 2.624 ( -0.775 -0.334 -0.583) 1.026 2.658 ( -0.062 -1.987 0.479) 2.045 2.719 ( -0.280 -0.698 0.240) 0.790 2.844 ( 0.868 -1.404 -0.485) 1.720 2.871 ( 0.631 0.536 0.624) 1.037 2.911 ( 0.204 -5.244 0.151) 5.250 2.927 ( -0.361 -0.786 0.405) 0.955 2.986 ( 0.092 -7.566 0.446) 7.580 2.995 ( 1.707 -3.506 -0.208) 3.905 3.017 ( -2.411 -2.771 0.248) 3.681 3.043 ( 0.050 -6.971 -0.330) 6.979 3.086 ( 0.524 -10.433 -0.170) 10.447 3.138 ( -1.501 -4.848 -0.212) 5.080 3.186 ( 0.514 -1.117 0.235) 1.252 3.218 ( 0.098 -3.020 0.096) 3.023 3.303 ( -0.214 0.100 -0.524) 0.575 3.377 ( 0.520 -0.190 0.181) 0.582 3.402 ( -0.300 1.379 -0.165) 1.420 3.467 ( -0.034 -2.038 -0.233) 2.052 3.489 ( 0.079 -0.422 -0.068) 0.435 3.673 ( -0.128 1.681 -0.046) 1.687 3.755 ( -0.112 1.260 0.047) 1.266 3.810 ( 0.032 1.157 -0.069) 1.160 3.849 ( -0.024 1.247 0.061) 1.249 3.862 ( 0.239 1.080 0.066) 1.108 3.876 ( -0.102 1.418 0.051) 1.422 3.975 ( -0.063 1.791 -0.122) 1.796 3.999 ( 0.117 1.391 0.050) 1.397 4.246 ( 0.020 -0.909 0.012) 0.910 4.256 ( 0.024 -1.098 -0.010) 1.098 4.380 ( -0.087 -0.498 -0.037) 0.507 4.393 ( 0.064 -0.097 0.035) 0.121 4.507 ( -0.098 2.661 -0.059) 2.664 4.521 ( 0.087 2.675 0.065) 2.677 4.624 ( -0.223 4.086 -0.098) 4.093 4.636 ( 0.056 4.074 0.081) 4.075 4.794 ( -0.004 -1.126 -0.057) 1.127 4.812 ( 0.194 -1.017 0.078) 1.038 4.919 ( -0.097 -3.391 0.007) 3.392 4.926 ( -0.125 -3.023 -0.004) 3.026 5.089 ( -0.037 0.600 -0.032) 0.602 5.113 ( 0.135 0.044 0.074) 0.160 5.173 ( 0.033 0.670 -0.013) 0.671 5.179 ( 0.069 0.641 0.007) 0.645 7.372 ( 0.113 1.026 0.072) 1.035 7.381 ( 0.030 0.491 0.013) 0.492 7.412 ( -0.018 0.447 0.032) 0.449 7.417 ( -0.149 0.925 -0.042) 0.938 7.992 ( 0.048 -0.069 0.158) 0.179 8.028 ( 0.027 0.779 -0.315) 0.841 8.029 ( -0.159 -0.028 0.129) 0.207 8.065 ( 0.332 0.006 0.167) 0.372 8.119 ( 0.301 -0.212 0.496) 0.617 8.144 ( -0.391 1.159 -0.618) 1.371 8.152 ( -0.203 -0.161 -0.167) 0.308 8.248 ( 0.388 -0.721 0.159) 0.834 8.381 ( 0.796 0.269 0.220) 0.868 8.389 ( -0.701 -0.209 -0.111) 0.740 8.446 ( 0.158 0.353 0.124) 0.406 8.464 ( -0.406 -0.771 -0.131) 0.881 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -0.000 9.249 -0.000) 9.249 0.437 ( -0.000 9.753 -0.000) 9.753 0.623 ( -0.000 5.963 -0.000) 5.963 0.718 ( -0.000 2.200 -0.000) 2.200 0.853 ( -0.000 2.105 -0.000) 2.105 0.920 ( 0.000 -0.269 0.000) 0.269 0.981 ( 0.000 -0.809 0.000) 0.809 1.012 ( 0.000 -5.449 0.000) 5.449 1.017 ( -0.000 3.716 -0.000) 3.716 1.077 ( 0.000 -0.939 0.000) 0.939 1.189 ( -0.000 17.596 -0.000) 17.596 1.255 ( 0.000 -1.774 0.000) 1.774 1.272 ( -0.000 9.383 -0.000) 9.383 1.324 ( -0.000 5.034 -0.000) 5.034 1.353 ( -0.000 9.474 -0.000) 9.474 1.381 ( -0.000 10.059 -0.000) 10.059 1.391 ( -0.000 1.538 -0.000) 1.538 1.427 ( -0.000 8.597 -0.000) 8.597 1.499 ( -0.000 7.925 -0.000) 7.925 1.506 ( 0.000 -1.437 0.000) 1.437 1.508 ( 0.000 -0.189 0.000) 0.189 1.597 ( -0.000 1.320 -0.000) 1.320 1.685 ( -0.000 0.746 -0.000) 0.746 1.725 ( 0.000 -0.371 0.000) 0.371 1.903 ( -0.000 0.353 -0.000) 0.353 1.930 ( -0.000 0.208 -0.000) 0.208 2.150 ( 0.000 -1.118 0.000) 1.118 2.294 ( -0.000 0.259 -0.000) 0.259 2.294 ( -0.000 0.673 -0.000) 0.673 2.383 ( -0.000 1.022 -0.000) 1.022 2.433 ( -0.000 0.209 -0.000) 0.209 2.479 ( -0.000 0.327 -0.000) 0.327 2.497 ( -0.000 1.539 -0.000) 1.539 2.501 ( -0.000 3.610 -0.000) 3.610 2.551 ( -0.000 0.603 -0.000) 0.603 2.618 ( -0.000 0.591 -0.000) 0.591 2.621 ( 0.000 -0.292 0.000) 0.292 2.704 ( 0.000 -2.459 0.000) 2.459 2.740 ( 0.000 -1.421 0.000) 1.421 2.852 ( -0.000 1.161 -0.000) 1.161 2.865 ( 0.000 -0.401 0.000) 0.401 2.925 ( -0.000 0.331 -0.000) 0.331 2.958 ( 0.000 -0.867 0.000) 0.867 3.016 ( 0.000 -1.374 0.000) 1.374 3.081 ( 0.000 -4.332 0.000) 4.332 3.131 ( 0.000 -4.553 0.000) 4.553 3.146 ( 0.000 -3.600 0.000) 3.600 3.191 ( 0.000 -0.832 0.000) 0.832 3.261 ( 0.000 -6.300 0.000) 6.300 3.273 ( 0.000 -7.833 0.000) 7.833 3.294 ( 0.000 -5.423 0.000) 5.423 3.303 ( 0.000 -0.012 0.000) 0.012 3.389 ( 0.000 -1.034 0.000) 1.034 3.394 ( 0.000 -1.660 0.000) 1.660 3.496 ( 0.000 -0.431 0.000) 0.431 3.508 ( 0.000 -2.357 0.000) 2.357 3.636 ( -0.000 2.237 -0.000) 2.237 3.726 ( -0.000 1.745 -0.000) 1.745 3.782 ( -0.000 1.769 -0.000) 1.769 3.823 ( -0.000 1.436 -0.000) 1.436 3.834 ( -0.000 2.000 -0.000) 2.000 3.849 ( -0.000 1.255 -0.000) 1.255 3.940 ( -0.000 1.801 -0.000) 1.801 3.967 ( -0.000 2.108 -0.000) 2.108 4.266 ( 0.000 -1.179 0.000) 1.179 4.277 ( 0.000 -1.059 0.000) 1.059 4.390 ( 0.000 -0.468 0.000) 0.468 4.398 ( 0.000 -0.708 0.000) 0.708 4.453 ( -0.000 2.924 -0.000) 2.924 4.467 ( -0.000 2.968 -0.000) 2.968 4.547 ( -0.000 4.087 -0.000) 4.087 4.564 ( -0.000 3.582 -0.000) 3.582 4.813 ( 0.000 -0.836 0.000) 0.836 4.832 ( 0.000 -1.043 0.000) 1.043 4.979 ( 0.000 -3.024 0.000) 3.024 4.981 ( 0.000 -2.993 0.000) 2.993 5.075 ( -0.000 0.891 -0.000) 0.891 5.110 ( -0.000 0.290 -0.000) 0.290 5.156 ( -0.000 1.221 -0.000) 1.221 5.163 ( -0.000 1.107 -0.000) 1.107 7.352 ( -0.000 1.075 -0.000) 1.075 7.371 ( -0.000 0.580 -0.000) 0.580 7.392 ( -0.000 1.058 -0.000) 1.058 7.407 ( -0.000 0.536 -0.000) 0.536 7.996 ( 0.000 -0.314 0.000) 0.314 8.009 ( -0.000 1.068 -0.000) 1.068 8.033 ( 0.000 -0.233 0.000) 0.233 8.064 ( -0.000 0.215 -0.000) 0.215 8.113 ( -0.000 1.797 -0.000) 1.797 8.127 ( 0.000 -0.338 0.000) 0.338 8.157 ( 0.000 -0.424 0.000) 0.424 8.259 ( 0.000 -0.263 0.000) 0.263 8.383 ( -0.000 0.270 -0.000) 0.270 8.388 ( 0.000 -0.496 0.000) 0.496 8.441 ( -0.000 0.325 -0.000) 0.325 8.478 ( 0.000 -0.877 0.000) 0.877 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( 9.231 -0.000 5.768) 10.885 0.251 ( 5.184 -0.000 14.416) 15.320 0.402 ( 15.795 -0.000 2.290) 15.960 0.537 ( 1.925 -0.000 2.424) 3.095 0.620 ( 3.752 -0.000 -0.233) 3.759 0.668 ( 0.900 -0.000 -1.422) 1.683 0.680 ( -1.611 0.000 -0.280) 1.635 0.778 ( -4.170 0.000 -6.630) 7.832 0.815 ( 7.628 -0.000 3.240) 8.288 0.965 ( -1.390 0.000 1.082) 1.762 0.977 ( -2.012 0.000 -1.103) 2.294 1.145 ( -1.745 0.000 -3.002) 3.472 1.248 ( 1.819 -0.000 0.627) 1.924 1.265 ( 0.920 -0.000 -1.464) 1.729 1.295 ( -0.917 0.000 0.463) 1.027 1.366 ( -3.126 0.000 -0.559) 3.176 1.413 ( -4.056 0.000 1.611) 4.364 1.420 ( 0.113 -0.000 1.029) 1.035 1.427 ( 1.482 -0.000 -0.356) 1.524 1.489 ( 0.114 -0.000 -0.317) 0.336 1.524 ( 0.505 -0.000 1.692) 1.765 1.658 ( -1.982 0.000 -3.783) 4.270 1.710 ( -2.005 0.000 3.052) 3.652 1.737 ( -4.313 0.000 -1.621) 4.608 1.914 ( 1.782 -0.000 -3.556) 3.977 1.938 ( 1.492 -0.000 0.496) 1.572 2.181 ( -0.289 0.000 -2.173) 2.192 2.292 ( 2.169 -0.000 2.430) 3.257 2.330 ( -2.172 0.000 -2.046) 2.984 2.339 ( 0.148 -0.000 0.076) 0.166 2.380 ( 0.051 -0.000 -0.384) 0.388 2.401 ( 2.189 -0.000 2.068) 3.012 2.437 ( -0.836 0.000 -0.010) 0.836 2.465 ( -0.567 0.000 -0.403) 0.695 2.589 ( 0.075 -0.000 0.214) 0.227 2.624 ( -3.132 0.000 -3.138) 4.434 2.635 ( 0.505 -0.000 0.466) 0.687 2.676 ( 2.458 -0.000 1.752) 3.018 2.761 ( -0.730 0.000 -0.152) 0.745 2.777 ( 1.138 -0.000 1.267) 1.703 2.875 ( -1.248 0.000 3.640) 3.848 2.966 ( -1.046 0.000 2.664) 2.862 2.991 ( 1.700 -0.000 -0.791) 1.875 3.077 ( 1.937 -0.000 -1.297) 2.331 3.106 ( -1.852 0.000 -3.580) 4.031 3.142 ( -2.997 0.000 0.307) 3.013 3.258 ( 1.987 -0.000 2.670) 3.328 3.265 ( 1.141 -0.000 -0.728) 1.354 3.338 ( -0.709 0.000 -0.482) 0.857 3.380 ( -2.087 0.000 2.411) 3.189 3.421 ( 0.285 -0.000 -0.374) 0.470 3.448 ( 0.767 -0.000 -0.102) 0.773 3.471 ( 0.270 -0.000 -0.013) 0.270 3.492 ( -1.135 0.000 -0.605) 1.286 3.494 ( 0.022 -0.000 -0.447) 0.447 3.576 ( 0.631 -0.000 0.522) 0.819 3.588 ( 0.882 -0.000 2.752) 2.890 3.680 ( 0.447 -0.000 -0.344) 0.564 3.733 ( 0.360 -0.000 -0.028) 0.361 3.762 ( -0.391 0.000 -0.413) 0.569 3.793 ( 0.196 -0.000 0.095) 0.218 3.815 ( -0.922 0.000 -0.761) 1.195 3.911 ( 0.079 -0.000 0.408) 0.415 3.914 ( -0.279 0.000 0.763) 0.813 4.292 ( -0.302 0.000 -0.193) 0.358 4.300 ( 0.095 -0.000 0.057) 0.111 4.387 ( 0.773 -0.000 0.280) 0.822 4.397 ( 0.178 -0.000 -0.478) 0.510 4.433 ( -0.144 0.000 -0.023) 0.145 4.435 ( 0.041 -0.000 0.369) 0.371 4.451 ( -0.670 0.000 -0.261) 0.720 4.458 ( -0.075 0.000 -0.364) 0.371 4.831 ( 0.183 -0.000 -0.013) 0.183 4.856 ( 0.197 -0.000 -0.005) 0.197 5.040 ( 0.386 -0.000 0.136) 0.410 5.046 ( -0.147 0.000 -0.085) 0.170 5.053 ( -0.356 0.000 -0.102) 0.371 5.056 ( 0.067 -0.000 -0.173) 0.185 5.121 ( 0.262 -0.000 -0.076) 0.273 5.124 ( -0.250 0.000 -0.278) 0.374 7.329 ( -0.064 0.000 0.047) 0.079 7.351 ( -0.402 0.000 -0.238) 0.467 7.380 ( 0.057 -0.000 -0.207) 0.215 7.395 ( 0.464 -0.000 -0.061) 0.468 7.921 ( 0.013 -0.000 -0.407) 0.407 7.985 ( 0.547 -0.000 -0.469) 0.720 8.015 ( -1.088 0.000 0.833) 1.371 8.046 ( -0.511 0.000 -0.047) 0.514 8.129 ( 0.640 -0.000 -1.251) 1.405 8.139 ( 2.174 -0.000 -3.485) 4.107 8.177 ( 1.279 -0.000 -0.143) 1.287 8.189 ( 1.221 -0.000 0.480) 1.312 8.293 ( -1.259 0.000 0.052) 1.260 8.420 ( 0.623 -0.000 -0.108) 0.633 8.491 ( -1.526 0.000 1.907) 2.443 8.495 ( -0.252 0.000 -0.187) 0.314 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 6.329 -5.514 8.524) 11.963 0.472 ( 10.194 -6.247 1.859) 12.099 0.591 ( 2.821 -5.207 2.281) 6.346 0.680 ( 0.295 -16.606 0.866) 16.631 0.758 ( -1.844 -4.910 -1.830) 5.555 0.798 ( 1.851 -8.351 0.650) 8.578 0.824 ( 3.617 -12.638 0.020) 13.145 0.853 ( -0.172 -14.152 -1.534) 14.236 0.880 ( 2.474 -9.319 1.549) 9.765 0.968 ( 0.615 -1.096 -3.808) 4.010 1.016 ( -3.131 -5.132 -0.557) 6.038 1.128 ( 0.516 -3.667 0.407) 3.725 1.200 ( 1.553 3.354 -1.379) 3.945 1.248 ( -0.683 2.277 0.382) 2.408 1.306 ( 0.831 -1.064 -0.375) 1.402 1.344 ( -2.875 0.499 0.808) 3.028 1.386 ( -2.978 -1.086 0.732) 3.253 1.420 ( 1.065 2.053 -0.283) 2.330 1.449 ( -0.659 1.237 0.347) 1.444 1.493 ( 0.132 -1.667 0.772) 1.841 1.534 ( -0.302 -0.959 1.601) 1.890 1.616 ( -2.050 2.699 -2.838) 4.420 1.680 ( -4.947 2.771 -0.198) 5.673 1.701 ( -0.875 0.613 1.360) 1.730 1.902 ( 0.554 0.503 -1.168) 1.386 1.945 ( 1.777 0.387 0.696) 1.947 2.188 ( 0.084 -0.880 -1.734) 1.946 2.283 ( 0.105 1.265 -0.213) 1.287 2.301 ( 0.648 0.783 0.442) 1.108 2.372 ( -0.046 -1.495 -0.513) 1.581 2.402 ( -0.416 -1.699 -0.432) 1.802 2.418 ( 0.741 -0.928 -0.474) 1.278 2.457 ( -0.515 -1.840 1.645) 2.521 2.470 ( 0.145 -0.890 -0.223) 0.929 2.593 ( 0.010 -0.270 -0.010) 0.270 2.606 ( -2.428 -0.447 -1.991) 3.172 2.632 ( -0.470 0.623 0.774) 1.099 2.690 ( 2.489 -0.111 0.385) 2.521 2.763 ( -0.189 -0.151 -0.046) 0.246 2.798 ( 0.945 -0.893 -0.326) 1.341 2.860 ( -2.287 1.382 3.579) 4.467 2.954 ( 2.176 1.508 -0.308) 2.665 2.988 ( -0.088 0.683 1.476) 1.628 3.069 ( 1.530 0.757 -3.306) 3.720 3.085 ( -0.721 0.903 -2.682) 2.920 3.132 ( -3.750 -0.124 1.366) 3.993 3.247 ( 1.330 3.654 0.756) 3.961 3.267 ( 1.266 0.884 -0.316) 1.576 3.303 ( 1.679 2.763 1.975) 3.789 3.333 ( -0.621 1.083 0.872) 1.523 3.382 ( 0.114 4.759 -0.055) 4.760 3.409 ( -0.173 4.337 -0.513) 4.371 3.437 ( 0.683 3.405 -0.003) 3.473 3.449 ( -0.252 3.158 -0.326) 3.184 3.487 ( -1.136 0.203 -0.041) 1.155 3.575 ( 0.175 2.216 2.602) 3.422 3.606 ( 0.737 -2.008 0.033) 2.140 3.703 ( 0.725 -1.746 -0.325) 1.919 3.751 ( -0.001 -1.592 0.253) 1.612 3.784 ( -0.265 -2.107 -0.291) 2.144 3.802 ( -0.140 -0.807 -0.203) 0.844 3.819 ( -0.310 -1.060 -0.491) 1.209 3.922 ( 0.063 -1.072 0.212) 1.094 3.928 ( -0.043 -1.432 0.382) 1.483 4.279 ( -0.394 0.978 -0.187) 1.071 4.295 ( 0.113 0.675 0.109) 0.693 4.402 ( -0.156 0.694 -0.016) 0.712 4.407 ( 0.213 -1.060 0.201) 1.100 4.417 ( 0.108 -0.703 -0.315) 0.778 4.428 ( 0.787 -0.887 0.196) 1.202 4.488 ( -0.039 -3.146 0.057) 3.147 4.495 ( -0.557 -2.888 -0.134) 2.944 4.826 ( 0.077 0.565 0.000) 0.570 4.848 ( 0.014 0.911 -0.048) 0.913 5.029 ( -0.057 2.000 -0.137) 2.006 5.035 ( 0.414 1.742 0.078) 1.792 5.055 ( -0.151 -0.928 -0.244) 0.971 5.070 ( -0.694 -1.664 -0.240) 1.819 5.132 ( -0.072 -1.054 -0.001) 1.057 5.137 ( -0.225 -1.178 -0.079) 1.202 7.334 ( -0.133 -0.499 0.002) 0.517 7.353 ( -0.315 -0.491 -0.141) 0.600 7.384 ( 0.238 -0.587 -0.118) 0.644 7.400 ( 0.321 -0.355 -0.044) 0.481 7.960 ( -1.413 -3.016 -1.223) 3.548 7.991 ( 0.249 -0.170 -1.015) 1.059 8.005 ( -0.952 -0.050 1.016) 1.393 8.043 ( 0.083 0.184 0.323) 0.381 8.129 ( 0.633 0.693 -0.204) 0.961 8.143 ( 1.187 -0.758 -0.725) 1.584 8.185 ( 0.863 0.270 0.919) 1.289 8.212 ( -0.581 -1.310 -1.342) 1.963 8.304 ( -1.371 -1.764 -0.689) 2.337 8.425 ( 0.607 -0.223 -0.435) 0.780 8.453 ( -0.348 2.100 1.047) 2.373 8.507 ( 0.100 0.033 0.213) 0.238 ======================= Grid point 22 (16/95) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 6.083 -6.374 3.129) 9.350 0.596 ( 3.901 -3.182 1.413) 5.229 0.691 ( 3.028 -4.270 1.731) 5.513 0.747 ( -1.875 -2.536 -2.956) 4.323 0.817 ( 0.257 -0.809 1.311) 1.562 0.879 ( 0.807 0.989 -1.233) 1.775 0.981 ( 0.454 -3.081 -0.238) 3.124 1.003 ( 0.917 -2.987 -0.110) 3.127 1.018 ( -0.199 2.191 0.269) 2.216 1.068 ( -1.222 -3.061 -0.957) 3.432 1.221 ( 2.021 -11.258 0.091) 11.438 1.264 ( -0.252 1.065 0.151) 1.104 1.286 ( -0.713 -2.280 0.476) 2.436 1.293 ( -0.399 -4.841 -2.023) 5.262 1.341 ( -0.198 -0.542 -0.103) 0.586 1.355 ( -0.230 -4.249 0.507) 4.285 1.368 ( 0.036 -11.318 -0.457) 11.328 1.452 ( -1.835 -11.107 0.626) 11.275 1.488 ( 1.889 -9.320 2.339) 9.793 1.527 ( 0.916 -2.671 0.839) 2.946 1.553 ( -2.237 0.291 -1.836) 2.909 1.581 ( -1.778 -4.223 1.531) 4.831 1.622 ( -4.214 -2.840 -0.379) 5.096 1.702 ( 1.315 -0.178 1.298) 1.856 1.897 ( -0.193 -0.065 -0.460) 0.504 1.945 ( 1.090 0.166 0.466) 1.197 2.203 ( 1.210 -0.764 0.028) 1.431 2.254 ( -0.588 1.463 -1.291) 2.037 2.300 ( 0.221 -0.332 0.230) 0.460 2.406 ( 0.966 -1.721 0.241) 1.989 2.415 ( 0.086 -0.162 -0.453) 0.489 2.443 ( 0.489 -1.784 -1.900) 2.651 2.488 ( -3.009 -2.407 0.394) 3.873 2.496 ( 0.674 -0.986 0.605) 1.339 2.591 ( -1.135 -0.033 -1.175) 1.634 2.608 ( -0.526 -0.505 -0.187) 0.753 2.621 ( 0.130 0.526 0.772) 0.943 2.702 ( 2.115 0.627 1.296) 2.558 2.740 ( -0.287 2.412 0.367) 2.456 2.817 ( 0.923 -1.166 -2.009) 2.500 2.847 ( -2.773 -0.310 2.321) 3.629 2.918 ( 1.491 3.069 -0.999) 3.555 2.983 ( 0.608 0.560 1.757) 1.942 3.046 ( 0.958 2.501 -1.325) 2.988 3.050 ( -0.832 1.092 -3.600) 3.852 3.108 ( -0.844 2.194 0.200) 2.359 3.158 ( -0.746 6.086 0.090) 6.133 3.214 ( 0.813 4.553 2.467) 5.242 3.249 ( -0.323 7.974 -0.328) 7.987 3.280 ( -0.091 2.848 -0.267) 2.862 3.300 ( 0.258 5.537 -0.284) 5.550 3.332 ( 0.961 0.893 0.821) 1.548 3.369 ( -0.196 2.913 -0.227) 2.929 3.417 ( 0.661 0.426 0.363) 0.866 3.482 ( -0.514 0.025 0.115) 0.528 3.528 ( -0.237 3.090 1.202) 3.324 3.649 ( 0.498 -2.084 0.139) 2.147 3.736 ( 0.613 -1.491 -0.239) 1.629 3.783 ( -0.223 -1.692 0.330) 1.738 3.818 ( -0.168 -1.467 -0.460) 1.546 3.824 ( -0.313 -1.896 -0.094) 1.924 3.846 ( 0.147 -1.740 -0.103) 1.750 3.950 ( 0.085 -1.717 0.169) 1.728 3.960 ( -0.208 -1.807 0.078) 1.821 4.259 ( -0.295 0.932 -0.109) 0.984 4.279 ( 0.090 1.130 0.087) 1.137 4.390 ( -0.194 0.296 -0.072) 0.361 4.400 ( 0.257 0.775 0.091) 0.822 4.460 ( 0.067 -2.997 0.035) 2.998 4.471 ( 0.543 -2.345 0.023) 2.408 4.553 ( -0.364 -4.027 -0.213) 4.049 4.560 ( 0.230 -4.029 0.192) 4.040 4.812 ( -0.092 0.871 0.027) 0.876 4.825 ( -0.228 1.385 -0.065) 1.406 4.983 ( 0.193 2.919 -0.092) 2.927 4.992 ( 0.477 2.989 0.039) 3.027 5.074 ( -0.136 -1.097 -0.113) 1.111 5.092 ( -0.421 -1.024 -0.111) 1.113 5.154 ( -0.144 -1.155 0.020) 1.164 5.158 ( -0.221 -1.148 -0.011) 1.169 7.346 ( -0.195 -0.901 -0.087) 0.926 7.365 ( -0.153 -0.840 -0.046) 0.855 7.402 ( 0.346 -1.013 -0.001) 1.070 7.408 ( 0.097 -0.469 -0.102) 0.490 7.985 ( 0.037 -0.018 -0.570) 0.571 8.005 ( -1.282 -2.468 -0.842) 2.906 8.019 ( -0.134 -0.978 0.250) 1.018 8.040 ( 0.066 0.346 0.520) 0.628 8.118 ( 0.352 0.641 -0.083) 0.736 8.158 ( 0.811 -0.456 -0.036) 0.931 8.181 ( 0.537 0.648 1.177) 1.447 8.218 ( -1.297 -0.327 -0.773) 1.545 8.333 ( -0.806 -1.902 -0.640) 2.163 8.423 ( 0.465 1.287 0.248) 1.390 8.430 ( -0.108 -0.204 -0.262) 0.349 8.500 ( 0.520 0.787 0.202) 0.965 ======================= Grid point 23 (17/95) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.485 -2.117 -0.390) 2.206 0.652 ( 2.997 -2.106 -0.495) 3.696 0.795 ( 2.085 -6.509 0.271) 6.840 0.812 ( 2.234 -3.338 -0.132) 4.019 0.858 ( -1.793 -1.212 2.832) 3.564 0.875 ( -2.090 -3.990 -1.916) 4.895 0.954 ( 1.656 3.606 0.051) 3.969 0.999 ( 0.990 2.568 0.128) 2.755 1.028 ( 0.959 -0.683 -0.295) 1.214 1.095 ( 1.593 -0.631 0.311) 1.741 1.163 ( -0.019 4.833 0.540) 4.863 1.202 ( -1.304 5.740 0.267) 5.893 1.241 ( -0.715 4.480 -1.170) 4.685 1.295 ( 0.058 3.233 0.300) 3.248 1.321 ( -2.100 1.376 -0.313) 2.530 1.404 ( 0.247 0.910 0.502) 1.069 1.434 ( -1.745 -0.381 -0.347) 1.820 1.517 ( -2.886 0.661 -1.016) 3.131 1.565 ( -0.000 -1.368 0.842) 1.606 1.693 ( 2.027 -0.169 2.412) 3.155 1.788 ( 0.251 -11.154 0.338) 11.162 1.829 ( 0.395 -18.714 -0.644) 18.729 1.847 ( 0.310 -19.954 0.338) 19.959 1.860 ( -0.085 -14.630 0.227) 14.632 1.919 ( 0.130 -7.004 -0.389) 7.016 1.985 ( -0.268 -6.860 0.116) 6.866 2.222 ( -0.803 1.110 -0.976) 1.682 2.235 ( 2.308 -2.044 1.019) 3.247 2.317 ( -0.870 -1.713 -0.039) 1.922 2.415 ( -0.062 -0.170 -0.427) 0.463 2.433 ( 0.640 -0.747 0.035) 0.984 2.475 ( -0.349 -1.240 -0.523) 1.391 2.509 ( -1.020 -1.753 -1.209) 2.361 2.530 ( 0.923 -1.784 0.536) 2.079 2.576 ( -0.710 1.171 -0.488) 1.454 2.610 ( -0.275 0.191 0.131) 0.360 2.619 ( 0.200 -0.003 0.460) 0.501 2.665 ( -0.684 2.762 1.020) 3.023 2.719 ( 0.630 0.630 -0.205) 0.915 2.825 ( 0.356 0.824 -2.117) 2.299 2.844 ( -2.080 0.495 1.496) 2.609 2.862 ( 0.941 3.245 -0.048) 3.379 2.951 ( -0.306 4.710 -0.260) 4.727 2.972 ( 0.401 6.594 -0.457) 6.622 3.005 ( -0.801 8.069 -0.636) 8.133 3.010 ( 0.749 1.490 0.549) 1.755 3.057 ( 0.238 4.443 0.136) 4.451 3.095 ( 0.458 6.455 -0.520) 6.492 3.147 ( -1.129 3.458 -0.028) 3.637 3.201 ( 0.942 4.882 -0.391) 4.987 3.216 ( 0.379 2.409 0.692) 2.535 3.335 ( 0.567 0.018 0.600) 0.826 3.345 ( -0.878 -0.105 -0.132) 0.894 3.423 ( 0.713 -0.398 0.215) 0.844 3.474 ( -0.390 2.265 0.687) 2.399 3.482 ( -0.226 0.278 -0.206) 0.413 3.683 ( 0.229 -1.365 0.080) 1.386 3.760 ( 0.223 -0.969 -0.098) 0.999 3.810 ( -0.066 -1.181 0.150) 1.193 3.844 ( -0.130 -1.447 -0.214) 1.469 3.853 ( -0.053 -1.320 -0.008) 1.321 3.877 ( 0.034 -1.432 -0.066) 1.434 3.983 ( 0.068 -1.598 0.171) 1.608 3.990 ( -0.233 -1.442 -0.084) 1.463 4.243 ( -0.115 0.637 -0.041) 0.649 4.257 ( 0.057 1.174 0.042) 1.176 4.387 ( -0.093 0.187 -0.015) 0.210 4.388 ( 0.148 0.525 0.021) 0.546 4.513 ( 0.070 -2.142 -0.017) 2.144 4.516 ( -0.015 -2.781 0.030) 2.781 4.630 ( -0.063 -4.188 -0.145) 4.191 4.639 ( 0.324 -4.217 0.149) 4.232 4.796 ( -0.110 0.790 0.014) 0.798 4.799 ( -0.223 1.237 -0.052) 1.258 4.923 ( 0.118 3.623 -0.067) 3.625 4.935 ( 0.255 3.246 0.049) 3.256 5.091 ( -0.003 -0.785 -0.003) 0.785 5.104 ( -0.149 -0.372 -0.061) 0.406 5.171 ( -0.072 -0.805 0.021) 0.808 5.174 ( -0.136 -0.666 -0.016) 0.680 7.363 ( -0.169 -0.998 -0.110) 1.018 7.380 ( 0.003 -0.753 -0.004) 0.753 7.411 ( 0.017 -0.170 -0.066) 0.183 7.426 ( 0.199 -0.979 0.042) 0.999 7.986 ( -0.063 -0.170 -0.155) 0.238 8.032 ( 0.599 -0.203 -0.921) 1.117 8.036 ( -0.586 -0.415 0.663) 0.977 8.039 ( -0.426 -1.311 0.133) 1.385 8.110 ( 0.055 0.215 0.005) 0.222 8.167 ( 0.497 -0.187 0.054) 0.534 8.173 ( 0.349 0.717 0.602) 0.999 8.215 ( -0.961 -0.221 -0.367) 1.052 8.359 ( -0.312 -1.170 -0.220) 1.231 8.407 ( 0.343 0.730 0.289) 0.857 8.433 ( -0.202 -0.346 -0.419) 0.580 8.486 ( 0.412 1.029 0.162) 1.120 ======================= Grid point 24 (18/95) ======================= q-point: ( 0.67 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -0.327 1.691 -0.948) 1.966 0.700 ( 0.722 -4.059 -0.083) 4.124 0.845 ( -0.926 1.527 2.330) 2.936 0.848 ( 0.575 0.173 -1.843) 1.938 0.922 ( 0.991 0.501 -0.017) 1.110 0.935 ( 0.132 -1.104 -0.440) 1.196 0.943 ( 1.370 -4.322 1.272) 4.710 0.993 ( -0.803 -1.792 1.399) 2.411 1.004 ( -0.866 -1.474 -2.008) 2.637 1.070 ( 1.510 4.776 -0.343) 5.021 1.079 ( -0.544 3.425 0.916) 3.587 1.133 ( 0.075 1.809 0.129) 1.815 1.192 ( 0.501 0.674 0.373) 0.919 1.207 ( -0.553 4.182 -0.690) 4.274 1.295 ( -0.903 -0.293 -0.120) 0.957 1.388 ( 1.969 0.394 0.678) 2.119 1.435 ( -1.927 -0.428 -0.640) 2.075 1.506 ( -1.880 -1.047 -0.821) 2.303 1.577 ( 0.020 0.431 0.362) 0.563 1.692 ( 1.396 1.168 0.892) 2.027 1.866 ( 0.177 -0.555 0.117) 0.594 1.887 ( -0.097 -0.213 -0.057) 0.241 2.117 ( -0.160 -4.179 -0.384) 4.200 2.139 ( 1.003 -7.062 0.166) 7.135 2.165 ( -1.298 -9.716 -0.057) 9.803 2.192 ( 0.352 -10.411 -0.116) 10.417 2.255 ( -0.382 -7.114 -0.001) 7.125 2.314 ( 1.164 -4.093 -0.187) 4.259 2.375 ( 0.085 -5.629 0.971) 5.713 2.426 ( -0.249 -0.527 -0.110) 0.593 2.449 ( 0.055 -0.903 -0.111) 0.912 2.480 ( -0.264 -1.874 0.200) 1.903 2.508 ( -0.568 3.707 -0.470) 3.780 2.550 ( 0.972 -1.716 -0.750) 2.110 2.577 ( -0.391 0.452 0.355) 0.695 2.597 ( 0.592 0.060 0.235) 0.639 2.620 ( -0.295 0.323 -0.186) 0.476 2.643 ( -0.618 -0.146 0.778) 1.005 2.684 ( -0.284 2.820 -0.215) 2.842 2.730 ( -0.558 6.747 -0.953) 6.836 2.776 ( -0.289 5.984 -0.366) 6.002 2.809 ( 2.008 3.508 -0.046) 4.042 2.831 ( -1.192 4.285 1.210) 4.609 2.880 ( -0.428 2.495 -1.287) 2.840 2.900 ( -0.429 1.159 0.068) 1.238 2.971 ( 1.518 3.320 1.669) 4.015 3.001 ( 1.012 0.906 0.610) 1.489 3.041 ( -0.559 0.328 -1.151) 1.321 3.077 ( -1.738 2.866 -0.867) 3.462 3.162 ( 1.612 0.208 -0.118) 1.630 3.191 ( -0.668 0.925 0.522) 1.255 3.330 ( 0.186 0.816 0.213) 0.864 3.355 ( -0.307 -1.097 -0.131) 1.147 3.432 ( 0.602 -0.029 -0.054) 0.605 3.440 ( -0.488 0.903 0.218) 1.050 3.479 ( -0.051 0.103 -0.030) 0.118 3.700 ( 0.029 -0.335 0.007) 0.337 3.773 ( 0.029 -0.315 -0.016) 0.317 3.825 ( 0.001 -0.390 0.029) 0.391 3.864 ( -0.035 -0.665 -0.034) 0.666 3.871 ( 0.065 -0.550 0.023) 0.555 3.896 ( -0.047 -0.568 -0.033) 0.571 4.004 ( -0.008 -0.501 0.020) 0.502 4.011 ( -0.037 -0.832 -0.009) 0.832 4.235 ( -0.021 0.172 -0.008) 0.173 4.240 ( 0.014 0.605 0.010) 0.605 4.377 ( 0.028 0.410 0.017) 0.411 4.388 ( -0.014 -0.127 -0.014) 0.128 4.544 ( -0.061 -1.023 -0.044) 1.026 4.556 ( 0.037 -1.259 0.046) 1.260 4.694 ( -0.063 -2.262 -0.077) 2.264 4.707 ( 0.191 -2.351 0.096) 2.361 4.779 ( -0.169 0.617 -0.097) 0.647 4.787 ( 0.086 0.061 0.082) 0.133 4.861 ( -0.051 2.398 -0.060) 2.400 4.882 ( 0.082 2.132 0.043) 2.134 5.102 ( 0.038 -0.242 0.028) 0.246 5.106 ( -0.051 -0.095 -0.035) 0.113 5.181 ( -0.051 -0.198 -0.020) 0.206 5.183 ( 0.009 -0.383 0.020) 0.384 7.378 ( -0.077 -0.637 -0.048) 0.643 7.390 ( 0.076 -0.256 0.028) 0.268 7.413 ( -0.044 -0.067 -0.027) 0.085 7.438 ( 0.055 -0.215 0.019) 0.222 7.989 ( -0.017 -0.179 -0.020) 0.181 8.029 ( 0.085 0.194 -0.031) 0.214 8.045 ( -0.165 -0.288 -0.039) 0.334 8.054 ( 0.030 -0.459 0.039) 0.462 8.110 ( -0.003 -0.209 0.022) 0.210 8.161 ( -0.062 0.638 0.141) 0.657 8.169 ( 0.243 0.169 -0.062) 0.302 8.220 ( -0.215 -0.608 -0.042) 0.646 8.373 ( -0.116 -0.557 -0.063) 0.573 8.398 ( 0.204 0.472 0.123) 0.529 8.440 ( -0.176 -0.551 -0.170) 0.603 8.469 ( 0.153 0.919 0.087) 0.936 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -0.000 4.419 -0.000) 4.419 0.761 ( -0.000 4.871 -0.000) 4.871 0.790 ( 0.000 -0.367 0.000) 0.367 0.834 ( -0.000 0.096 -0.000) 0.096 0.898 ( -0.000 4.165 -0.000) 4.165 0.912 ( -0.000 0.493 -0.000) 0.493 0.980 ( 0.000 -0.170 0.000) 0.170 0.991 ( -0.000 1.499 -0.000) 1.499 0.998 ( -0.000 4.117 -0.000) 4.117 1.022 ( 0.000 -2.309 0.000) 2.309 1.098 ( -0.000 1.146 -0.000) 1.146 1.158 ( 0.000 -7.897 0.000) 7.897 1.167 ( 0.000 -2.495 0.000) 2.495 1.235 ( 0.000 -3.601 0.000) 3.601 1.333 ( 0.000 -3.681 0.000) 3.681 1.415 ( 0.000 -2.109 0.000) 2.109 1.429 ( -0.000 0.165 -0.000) 0.165 1.523 ( 0.000 -0.182 0.000) 0.182 1.555 ( -0.000 1.230 -0.000) 1.230 1.673 ( -0.000 1.065 -0.000) 1.065 1.867 ( -0.000 0.298 -0.000) 0.298 1.887 ( -0.000 0.255 -0.000) 0.255 2.103 ( -0.000 4.847 -0.000) 4.847 2.137 ( -0.000 8.604 -0.000) 8.604 2.181 ( -0.000 9.496 -0.000) 9.496 2.213 ( -0.000 9.121 -0.000) 9.121 2.220 ( -0.000 10.247 -0.000) 10.247 2.299 ( -0.000 1.907 -0.000) 1.907 2.361 ( -0.000 6.180 -0.000) 6.180 2.422 ( -0.000 0.974 -0.000) 0.974 2.440 ( -0.000 1.021 -0.000) 1.021 2.507 ( 0.000 -2.332 0.000) 2.332 2.511 ( -0.000 2.521 -0.000) 2.521 2.561 ( 0.000 -2.200 0.000) 2.200 2.563 ( 0.000 -0.808 0.000) 0.808 2.599 ( 0.000 -0.457 0.000) 0.457 2.616 ( -0.000 0.045 -0.000) 0.045 2.641 ( -0.000 0.112 -0.000) 0.112 2.701 ( 0.000 -3.285 0.000) 3.285 2.771 ( 0.000 -10.456 0.000) 10.456 2.798 ( 0.000 -3.190 0.000) 3.190 2.804 ( 0.000 -3.320 0.000) 3.320 2.839 ( 0.000 -9.067 0.000) 9.067 2.871 ( 0.000 -2.001 0.000) 2.001 2.912 ( 0.000 -1.643 0.000) 1.643 2.959 ( 0.000 -1.855 0.000) 1.855 2.992 ( -0.000 0.418 -0.000) 0.418 3.030 ( -0.000 1.591 -0.000) 1.591 3.063 ( 0.000 -2.734 0.000) 2.734 3.179 ( -0.000 0.114 -0.000) 0.114 3.180 ( 0.000 -1.433 0.000) 1.433 3.312 ( -0.000 0.947 -0.000) 0.947 3.372 ( 0.000 -0.603 0.000) 0.603 3.427 ( -0.000 1.020 -0.000) 1.020 3.437 ( 0.000 -0.913 0.000) 0.913 3.481 ( 0.000 -0.341 0.000) 0.341 3.696 ( -0.000 0.736 -0.000) 0.736 3.771 ( -0.000 0.500 -0.000) 0.500 3.825 ( -0.000 0.443 -0.000) 0.443 3.866 ( -0.000 0.455 -0.000) 0.455 3.874 ( -0.000 0.221 -0.000) 0.221 3.895 ( -0.000 0.615 -0.000) 0.615 4.000 ( -0.000 0.825 -0.000) 0.825 4.016 ( -0.000 0.315 -0.000) 0.315 4.235 ( 0.000 -0.268 0.000) 0.268 4.240 ( 0.000 -0.559 0.000) 0.559 4.374 ( 0.000 -0.093 0.000) 0.093 4.391 ( 0.000 -0.145 0.000) 0.145 4.543 ( -0.000 1.138 -0.000) 1.138 4.558 ( -0.000 1.055 -0.000) 1.055 4.690 ( -0.000 2.608 -0.000) 2.608 4.703 ( -0.000 2.669 -0.000) 2.669 4.777 ( 0.000 -0.519 0.000) 0.519 4.796 ( 0.000 -0.798 0.000) 0.798 4.862 ( 0.000 -2.329 0.000) 2.329 4.878 ( 0.000 -1.679 0.000) 1.679 5.098 ( -0.000 0.415 -0.000) 0.415 5.111 ( 0.000 -0.265 0.000) 0.265 5.181 ( -0.000 0.201 -0.000) 0.201 5.186 ( -0.000 0.078 -0.000) 0.078 7.384 ( -0.000 0.060 -0.000) 0.060 7.389 ( -0.000 0.395 -0.000) 0.395 7.414 ( 0.000 -0.018 0.000) 0.018 7.434 ( -0.000 0.675 -0.000) 0.675 7.991 ( 0.000 -0.099 0.000) 0.099 8.027 ( 0.000 -0.005 0.000) 0.005 8.042 ( -0.000 0.531 -0.000) 0.531 8.062 ( 0.000 -0.345 0.000) 0.345 8.115 ( 0.000 -0.254 0.000) 0.254 8.152 ( -0.000 0.285 -0.000) 0.285 8.162 ( -0.000 0.729 -0.000) 0.729 8.234 ( 0.000 -0.874 0.000) 0.874 8.380 ( 0.000 -0.351 0.000) 0.351 8.391 ( -0.000 0.409 -0.000) 0.409 8.450 ( 0.000 -0.615 0.000) 0.615 8.455 ( -0.000 0.595 -0.000) 0.595 ======================= Grid point 30 (20/95) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 8.321 -0.000 4.973) 9.694 0.369 ( 4.798 -0.000 13.542) 14.366 0.497 ( 5.536 -0.000 -1.750) 5.806 0.550 ( -1.870 0.000 1.083) 2.161 0.640 ( -0.567 0.000 -0.825) 1.001 0.682 ( 3.417 -0.000 -0.203) 3.423 0.696 ( -4.873 0.000 -6.825) 8.386 0.718 ( 9.357 -0.000 1.768) 9.523 0.898 ( 6.450 -0.000 3.321) 7.255 0.956 ( -1.133 0.000 -1.460) 1.848 0.961 ( -0.421 0.000 0.684) 0.803 1.116 ( -0.504 0.000 -3.124) 3.165 1.262 ( 0.530 -0.000 -2.120) 2.185 1.265 ( 1.349 -0.000 0.321) 1.387 1.282 ( -2.692 0.000 0.058) 2.692 1.318 ( -6.428 0.000 -0.634) 6.460 1.381 ( -4.574 0.000 1.919) 4.960 1.420 ( -0.070 0.000 0.102) 0.124 1.455 ( 3.157 -0.000 0.955) 3.299 1.496 ( 0.978 -0.000 0.793) 1.259 1.536 ( 0.006 -0.000 1.589) 1.589 1.621 ( -1.700 0.000 -3.633) 4.011 1.688 ( -4.173 0.000 -1.916) 4.592 1.703 ( -2.356 0.000 2.086) 3.147 1.911 ( 0.695 -0.000 -1.779) 1.910 1.961 ( 2.243 -0.000 1.181) 2.535 2.166 ( -0.312 0.000 -2.243) 2.264 2.301 ( -1.884 0.000 -1.490) 2.402 2.314 ( 0.753 -0.000 0.958) 1.219 2.347 ( 0.814 -0.000 0.947) 1.249 2.378 ( 0.068 -0.000 -0.377) 0.383 2.430 ( -0.464 0.000 -0.242) 0.524 2.437 ( 2.939 -0.000 2.641) 3.951 2.466 ( 0.341 -0.000 0.291) 0.448 2.574 ( -3.403 0.000 -3.014) 4.546 2.592 ( -0.368 0.000 0.024) 0.368 2.637 ( -0.276 0.000 0.279) 0.393 2.701 ( 1.909 -0.000 0.048) 1.910 2.755 ( -0.485 0.000 -0.141) 0.505 2.792 ( 1.062 -0.000 0.306) 1.105 2.890 ( -0.227 0.000 4.396) 4.402 2.974 ( -0.329 0.000 3.026) 3.044 3.002 ( 2.213 -0.000 -1.346) 2.590 3.060 ( -1.222 0.000 -5.015) 5.162 3.096 ( 0.759 -0.000 0.399) 0.858 3.113 ( -3.416 0.000 -0.188) 3.421 3.272 ( 1.030 -0.000 -0.343) 1.085 3.286 ( 1.511 -0.000 1.527) 2.148 3.329 ( -0.790 0.000 -0.448) 0.908 3.374 ( -1.316 0.000 1.379) 1.906 3.424 ( 0.611 -0.000 0.022) 0.611 3.453 ( 0.462 -0.000 -0.283) 0.542 3.473 ( 0.271 -0.000 0.022) 0.272 3.481 ( -0.789 0.000 -0.338) 0.858 3.492 ( -0.111 0.000 -0.266) 0.289 3.584 ( 0.666 -0.000 0.190) 0.693 3.609 ( 0.379 -0.000 2.566) 2.594 3.682 ( 0.325 -0.000 -0.305) 0.446 3.737 ( 0.296 -0.000 0.079) 0.306 3.756 ( -0.360 0.000 -0.393) 0.533 3.795 ( 0.166 -0.000 0.071) 0.180 3.804 ( -0.748 0.000 -0.659) 0.996 3.913 ( -0.003 0.000 0.306) 0.306 3.915 ( -0.071 0.000 0.390) 0.396 4.289 ( -0.272 0.000 -0.173) 0.322 4.301 ( 0.084 -0.000 0.045) 0.096 4.396 ( 0.173 -0.000 -0.377) 0.414 4.397 ( 1.025 -0.000 0.385) 1.094 4.430 ( -0.364 0.000 -0.187) 0.409 4.437 ( -0.017 0.000 0.349) 0.350 4.444 ( -0.692 0.000 -0.197) 0.720 4.455 ( -0.147 0.000 -0.179) 0.232 4.832 ( 0.159 -0.000 -0.012) 0.159 4.858 ( 0.193 -0.000 0.000) 0.193 5.044 ( -0.121 0.000 -0.072) 0.141 5.044 ( 0.349 -0.000 0.064) 0.355 5.049 ( -0.303 0.000 -0.008) 0.303 5.056 ( 0.007 -0.000 -0.065) 0.065 5.120 ( -0.251 0.000 -0.281) 0.376 5.123 ( 0.184 -0.000 -0.004) 0.184 7.329 ( -0.055 0.000 0.048) 0.073 7.347 ( -0.303 0.000 -0.191) 0.358 7.379 ( 0.049 -0.000 -0.187) 0.193 7.398 ( 0.333 -0.000 -0.032) 0.335 7.920 ( 0.018 -0.000 -0.354) 0.355 7.988 ( 0.702 -0.000 -0.551) 0.892 8.009 ( -1.047 0.000 0.656) 1.235 8.042 ( -0.387 0.000 -0.018) 0.387 8.129 ( 0.415 -0.000 -0.806) 0.906 8.140 ( 0.945 -0.000 -1.468) 1.746 8.189 ( 1.405 -0.000 0.128) 1.411 8.201 ( 1.148 -0.000 0.079) 1.151 8.280 ( -1.508 0.000 0.120) 1.513 8.426 ( 0.617 -0.000 -0.119) 0.628 8.487 ( -1.002 0.000 1.003) 1.418 8.492 ( -0.239 0.000 -0.195) 0.308 ======================= Grid point 31 (21/95) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 6.182 -4.307 8.543) 11.390 0.548 ( 5.229 -5.372 0.514) 7.514 0.624 ( 2.116 -6.344 1.001) 6.762 0.650 ( -4.390 -5.370 -4.500) 8.268 0.734 ( -1.293 -15.939 0.481) 15.998 0.812 ( 0.618 -9.748 1.039) 9.823 0.837 ( -0.496 -16.986 -0.333) 16.997 0.888 ( 5.434 -7.023 0.633) 8.902 0.913 ( 2.752 -4.322 1.422) 5.318 0.953 ( 0.459 -0.277 -3.709) 3.747 0.997 ( -0.256 -6.120 -0.106) 6.126 1.141 ( 2.046 -5.377 0.204) 5.757 1.200 ( -0.499 2.628 -1.049) 2.873 1.238 ( -1.469 0.883 0.037) 1.714 1.310 ( 0.385 -0.741 -0.564) 1.008 1.317 ( -2.920 -1.431 0.196) 3.258 1.360 ( -3.470 -0.258 0.968) 3.612 1.430 ( 1.077 3.872 0.114) 4.021 1.446 ( -0.413 -1.532 0.242) 1.605 1.506 ( 1.223 -0.486 1.550) 2.033 1.536 ( -0.519 -0.213 0.535) 0.775 1.585 ( -1.841 2.295 -1.956) 3.533 1.637 ( -3.547 2.937 -0.908) 4.694 1.702 ( -0.463 -0.507 0.935) 1.160 1.900 ( 0.166 0.608 -0.689) 0.934 1.966 ( 1.614 0.777 0.893) 2.001 2.178 ( -0.187 -1.610 -1.533) 2.231 2.276 ( -0.483 1.262 -0.789) 1.565 2.313 ( 0.663 0.778 0.743) 1.263 2.369 ( 0.013 -1.869 -0.164) 1.877 2.398 ( -0.309 -1.710 -0.196) 1.749 2.426 ( 1.117 -0.231 -0.302) 1.180 2.456 ( -1.096 0.107 0.916) 1.433 2.484 ( 1.974 -1.321 1.220) 2.670 2.562 ( -3.034 -0.982 -2.475) 4.037 2.597 ( -0.176 -0.575 0.160) 0.622 2.632 ( -0.126 0.419 0.235) 0.496 2.711 ( 1.323 -0.299 0.293) 1.388 2.762 ( 0.010 -0.636 -0.112) 0.646 2.807 ( 1.196 -0.742 -0.518) 1.500 2.863 ( -1.223 3.011 3.307) 4.637 2.974 ( 2.266 1.649 0.068) 2.803 2.996 ( 0.058 0.555 1.557) 1.654 3.044 ( -1.062 0.004 -3.922) 4.063 3.080 ( 0.612 1.258 -2.120) 2.540 3.109 ( -2.711 -0.332 1.747) 3.242 3.258 ( 0.557 4.125 0.367) 4.179 3.273 ( 0.497 0.539 -0.230) 0.769 3.318 ( 0.353 1.225 0.143) 1.283 3.339 ( 0.391 2.404 1.545) 2.884 3.385 ( 0.319 4.623 0.179) 4.637 3.404 ( -0.259 4.670 -0.603) 4.716 3.442 ( 0.083 2.827 0.293) 2.843 3.445 ( 0.181 3.277 -0.562) 3.330 3.479 ( -0.670 0.011 0.017) 0.670 3.588 ( -0.014 2.607 1.651) 3.086 3.612 ( 0.470 -1.963 0.029) 2.018 3.707 ( 0.449 -1.880 -0.230) 1.947 3.752 ( 0.000 -1.459 0.162) 1.468 3.781 ( -0.151 -2.251 -0.175) 2.262 3.798 ( -0.288 -0.523 -0.269) 0.655 3.816 ( 0.002 -1.447 -0.179) 1.458 3.923 ( -0.057 -1.075 0.065) 1.079 3.930 ( 0.021 -1.339 0.270) 1.366 4.275 ( -0.248 0.988 -0.120) 1.025 4.297 ( 0.086 0.671 0.073) 0.681 4.400 ( -0.143 0.801 -0.041) 0.815 4.410 ( 0.196 -1.178 0.244) 1.219 4.416 ( 0.033 -0.125 -0.313) 0.339 4.437 ( 0.777 -1.534 0.189) 1.729 4.485 ( -0.567 -2.900 -0.184) 2.960 4.492 ( -0.154 -3.314 0.075) 3.318 4.826 ( 0.049 0.637 0.003) 0.639 4.848 ( 0.026 1.044 -0.022) 1.044 5.028 ( -0.048 1.836 -0.101) 1.839 5.039 ( 0.287 1.651 0.044) 1.677 5.052 ( -0.139 -0.913 -0.203) 0.945 5.066 ( -0.216 -1.434 0.032) 1.451 5.131 ( -0.163 -1.110 -0.083) 1.125 5.135 ( -0.060 -1.075 0.008) 1.077 7.333 ( -0.084 -0.437 0.002) 0.445 7.351 ( -0.171 -0.555 -0.086) 0.587 7.385 ( 0.115 -0.718 -0.088) 0.733 7.402 ( 0.193 -0.267 -0.033) 0.331 7.946 ( -0.610 -2.566 -0.613) 2.708 7.989 ( 0.378 0.481 -0.755) 0.971 8.002 ( -0.680 -0.579 0.673) 1.118 8.045 ( 0.019 -0.047 0.282) 0.287 8.132 ( 0.241 0.608 0.166) 0.675 8.146 ( 0.546 -1.118 -0.984) 1.586 8.196 ( 0.504 0.208 1.001) 1.140 8.206 ( 0.230 -0.192 -0.774) 0.830 8.291 ( -0.953 -1.735 -0.317) 2.005 8.428 ( 0.338 -0.022 -0.197) 0.392 8.454 ( -0.170 1.816 0.396) 1.866 8.507 ( -0.065 -0.324 0.115) 0.350 ======================= Grid point 32 (22/95) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 4.641 -3.927 2.927) 6.747 0.619 ( 0.691 -1.496 0.409) 1.698 0.687 ( -3.244 -4.825 -2.873) 6.485 0.735 ( 1.125 -5.219 0.626) 5.376 0.831 ( 0.940 0.935 0.539) 1.431 0.884 ( 0.579 2.281 -0.231) 2.365 0.991 ( 1.571 -3.553 0.175) 3.889 1.006 ( -0.705 -2.601 0.055) 2.695 1.023 ( 1.195 -0.620 0.216) 1.363 1.047 ( -2.026 -4.731 -0.956) 5.235 1.240 ( 2.224 -7.112 -0.228) 7.455 1.256 ( -1.698 -0.976 0.513) 2.025 1.283 ( 0.261 -4.359 -1.302) 4.557 1.284 ( -0.661 1.243 0.511) 1.498 1.338 ( 0.169 3.222 -0.435) 3.256 1.359 ( 0.159 -8.538 0.851) 8.581 1.367 ( -0.067 -10.933 -0.272) 10.937 1.442 ( -0.683 -14.427 0.127) 14.444 1.509 ( 0.787 -6.003 0.616) 6.085 1.525 ( -1.375 0.170 -0.704) 1.554 1.547 ( 1.449 -4.266 2.079) 4.962 1.572 ( -0.916 -4.694 0.171) 4.786 1.585 ( -2.826 -4.638 -1.334) 5.593 1.718 ( 0.724 -0.653 0.606) 1.147 1.894 ( -0.116 -0.055 -0.218) 0.253 1.955 ( 0.525 0.683 0.275) 0.904 2.208 ( 0.317 -1.833 -0.204) 1.871 2.246 ( -0.219 1.648 -0.497) 1.735 2.303 ( 0.146 0.300 0.198) 0.388 2.413 ( 0.398 -2.085 0.125) 2.127 2.416 ( 0.163 -0.095 -0.135) 0.232 2.444 ( 1.675 -1.528 -1.348) 2.638 2.461 ( -3.093 -1.654 0.738) 3.584 2.513 ( 1.465 -0.907 0.620) 1.831 2.566 ( -1.793 -0.901 -1.084) 2.281 2.609 ( 0.072 -0.501 0.086) 0.513 2.625 ( 0.074 0.402 0.248) 0.478 2.721 ( 0.829 0.003 0.575) 1.009 2.741 ( 0.048 3.501 0.236) 3.510 2.820 ( 2.116 -0.582 -1.872) 2.885 2.833 ( -2.789 -0.304 1.959) 3.422 2.928 ( 0.924 3.469 -0.100) 3.592 2.998 ( 0.624 0.461 1.544) 1.728 3.026 ( -0.789 0.858 -2.404) 2.672 3.044 ( -0.001 2.545 -0.744) 2.652 3.103 ( -0.437 0.727 0.225) 0.878 3.154 ( -0.140 7.137 0.041) 7.138 3.231 ( 0.702 5.105 1.476) 5.361 3.243 ( -0.518 7.441 -0.601) 7.483 3.277 ( -0.116 3.414 -0.315) 3.430 3.301 ( 0.089 5.001 -0.042) 5.001 3.342 ( 0.404 0.506 0.286) 0.708 3.367 ( -0.042 3.600 -0.074) 3.601 3.423 ( 0.320 0.111 0.157) 0.373 3.479 ( -0.176 -0.119 0.042) 0.217 3.531 ( -0.180 3.415 0.458) 3.450 3.652 ( 0.198 -2.036 0.059) 2.046 3.739 ( 0.254 -1.424 -0.104) 1.450 3.783 ( -0.108 -1.696 0.138) 1.705 3.814 ( -0.099 -1.429 -0.199) 1.446 3.822 ( -0.083 -2.020 -0.022) 2.022 3.847 ( 0.071 -1.745 -0.031) 1.747 3.950 ( -0.029 -1.787 0.013) 1.787 3.960 ( -0.040 -1.659 0.076) 1.661 4.256 ( -0.116 0.882 -0.042) 0.890 4.280 ( 0.044 1.141 0.036) 1.143 4.389 ( -0.086 0.300 -0.039) 0.315 4.403 ( 0.105 0.727 0.044) 0.736 4.460 ( 0.026 -3.024 -0.002) 3.024 4.475 ( 0.250 -2.028 0.031) 2.044 4.549 ( -0.171 -4.209 -0.088) 4.213 4.562 ( 0.073 -4.143 0.068) 4.144 4.811 ( -0.041 0.911 0.006) 0.912 4.824 ( -0.082 1.462 -0.019) 1.464 4.984 ( 0.076 2.861 -0.038) 2.862 4.996 ( 0.185 3.010 0.013) 3.016 5.072 ( -0.084 -1.176 -0.069) 1.181 5.090 ( -0.112 -1.071 -0.004) 1.077 5.153 ( -0.064 -1.175 0.003) 1.177 5.157 ( -0.086 -1.146 -0.003) 1.149 7.345 ( -0.073 -0.860 -0.033) 0.864 7.364 ( -0.051 -0.890 -0.018) 0.891 7.404 ( 0.126 -1.040 -0.001) 1.048 7.408 ( 0.036 -0.434 -0.041) 0.437 7.983 ( 0.026 0.014 -0.212) 0.214 7.994 ( -0.465 -2.696 -0.310) 2.754 8.019 ( -0.052 -1.024 0.100) 1.031 8.042 ( 0.030 0.398 0.196) 0.444 8.120 ( 0.149 0.726 0.015) 0.742 8.162 ( 0.326 -0.572 -0.118) 0.669 8.191 ( 0.312 0.761 0.717) 1.091 8.206 ( -0.618 -0.207 -0.494) 0.817 8.326 ( -0.285 -2.110 -0.236) 2.142 8.427 ( -0.134 1.168 0.618) 1.328 8.428 ( 0.260 -0.001 -0.639) 0.690 8.504 ( 0.169 0.672 0.075) 0.697 ======================= Grid point 33 (23/95) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.000 -0.929 0.000) 0.929 0.666 ( 0.000 -2.197 0.000) 2.197 0.805 ( 0.000 -7.451 0.000) 7.451 0.824 ( 0.000 -3.146 0.000) 3.146 0.856 ( 0.000 -0.227 0.000) 0.227 0.860 ( 0.000 -4.030 0.000) 4.030 0.962 ( -0.000 3.453 -0.000) 3.453 1.004 ( -0.000 2.622 -0.000) 2.622 1.031 ( 0.000 -0.470 0.000) 0.470 1.105 ( 0.000 -1.123 0.000) 1.123 1.163 ( -0.000 3.733 -0.000) 3.733 1.197 ( -0.000 6.536 -0.000) 6.536 1.234 ( -0.000 4.352 -0.000) 4.352 1.298 ( -0.000 3.497 -0.000) 3.497 1.307 ( -0.000 1.214 -0.000) 1.214 1.412 ( -0.000 1.045 -0.000) 1.045 1.420 ( 0.000 -0.530 0.000) 0.530 1.498 ( -0.000 0.889 -0.000) 0.889 1.569 ( 0.000 -1.348 0.000) 1.348 1.709 ( 0.000 -0.703 0.000) 0.703 1.791 ( 0.000 -10.611 0.000) 10.611 1.829 ( 0.000 -18.031 0.000) 18.031 1.850 ( 0.000 -20.374 0.000) 20.374 1.859 ( 0.000 -15.116 0.000) 15.116 1.918 ( 0.000 -7.274 0.000) 7.274 1.984 ( 0.000 -6.451 0.000) 6.451 2.215 ( -0.000 1.197 -0.000) 1.197 2.250 ( 0.000 -2.669 0.000) 2.669 2.311 ( 0.000 -1.434 0.000) 1.434 2.413 ( 0.000 -0.055 0.000) 0.055 2.436 ( 0.000 -0.646 0.000) 0.646 2.472 ( 0.000 -0.415 0.000) 0.415 2.499 ( 0.000 -3.139 0.000) 3.139 2.544 ( 0.000 -2.001 0.000) 2.001 2.563 ( -0.000 1.086 -0.000) 1.086 2.611 ( -0.000 0.352 -0.000) 0.352 2.620 ( -0.000 0.100 -0.000) 0.100 2.666 ( -0.000 3.307 -0.000) 3.307 2.722 ( -0.000 0.694 -0.000) 0.694 2.822 ( -0.000 1.641 -0.000) 1.641 2.836 ( -0.000 0.183 -0.000) 0.183 2.870 ( -0.000 2.780 -0.000) 2.780 2.946 ( -0.000 5.960 -0.000) 5.960 2.975 ( -0.000 5.100 -0.000) 5.100 2.999 ( -0.000 8.493 -0.000) 8.493 3.015 ( -0.000 0.748 -0.000) 0.748 3.058 ( -0.000 4.464 -0.000) 4.464 3.096 ( -0.000 6.242 -0.000) 6.242 3.141 ( -0.000 4.243 -0.000) 4.243 3.204 ( -0.000 4.755 -0.000) 4.755 3.221 ( -0.000 2.292 -0.000) 2.292 3.339 ( 0.000 -0.187 0.000) 0.187 3.341 ( -0.000 0.183 -0.000) 0.183 3.428 ( 0.000 -0.333 0.000) 0.333 3.473 ( -0.000 2.587 -0.000) 2.587 3.480 ( 0.000 -0.015 0.000) 0.015 3.684 ( 0.000 -1.313 0.000) 1.313 3.761 ( 0.000 -0.923 0.000) 0.923 3.810 ( 0.000 -1.196 0.000) 1.196 3.843 ( 0.000 -1.494 0.000) 1.494 3.853 ( 0.000 -1.362 0.000) 1.362 3.877 ( 0.000 -1.395 0.000) 1.395 3.983 ( 0.000 -1.627 0.000) 1.627 3.988 ( 0.000 -1.408 0.000) 1.408 4.242 ( -0.000 0.606 -0.000) 0.606 4.258 ( -0.000 1.186 -0.000) 1.186 4.386 ( -0.000 0.058 -0.000) 0.058 4.389 ( -0.000 0.663 -0.000) 0.663 4.513 ( 0.000 -2.039 0.000) 2.039 4.516 ( 0.000 -2.817 0.000) 2.817 4.629 ( 0.000 -4.209 0.000) 4.209 4.641 ( 0.000 -4.251 0.000) 4.251 4.795 ( -0.000 0.892 -0.000) 0.892 4.798 ( -0.000 1.125 -0.000) 1.125 4.923 ( -0.000 3.669 -0.000) 3.669 4.936 ( -0.000 3.264 -0.000) 3.264 5.091 ( 0.000 -0.835 0.000) 0.835 5.103 ( 0.000 -0.381 0.000) 0.381 5.171 ( 0.000 -0.819 0.000) 0.819 5.174 ( 0.000 -0.678 0.000) 0.678 7.362 ( 0.000 -0.994 0.000) 0.994 7.380 ( 0.000 -0.789 0.000) 0.789 7.411 ( 0.000 -0.140 0.000) 0.140 7.427 ( 0.000 -0.977 0.000) 0.977 7.985 ( 0.000 -0.190 0.000) 0.190 8.032 ( 0.000 -1.236 0.000) 1.236 8.035 ( -0.000 0.384 -0.000) 0.384 8.038 ( 0.000 -1.197 0.000) 1.197 8.110 ( -0.000 0.265 -0.000) 0.265 8.169 ( 0.000 -0.097 0.000) 0.097 8.177 ( -0.000 0.819 -0.000) 0.819 8.210 ( 0.000 -0.403 0.000) 0.403 8.357 ( 0.000 -1.233 0.000) 1.233 8.410 ( -0.000 0.726 -0.000) 0.726 8.431 ( 0.000 -0.316 0.000) 0.316 8.488 ( -0.000 1.041 -0.000) 1.041 ======================= Grid point 41 (24/95) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 6.321 -0.000 3.378) 7.167 0.471 ( 2.441 -0.000 10.336) 10.620 0.517 ( -4.458 0.000 -1.430) 4.682 0.518 ( 3.755 -0.000 -1.722) 4.131 0.599 ( -4.989 0.000 -7.371) 8.901 0.638 ( -1.014 0.000 -0.460) 1.114 0.713 ( 2.156 -0.000 0.518) 2.217 0.809 ( 5.692 -0.000 1.365) 5.853 0.941 ( -1.358 0.000 2.074) 2.479 0.952 ( 2.916 -0.000 -1.438) 3.251 0.965 ( 0.584 -0.000 0.262) 0.641 1.113 ( 2.072 -0.000 -1.253) 2.421 1.240 ( -2.837 0.000 -1.246) 3.099 1.261 ( -4.135 0.000 -0.381) 4.152 1.265 ( -0.507 0.000 0.057) 0.510 1.275 ( 0.474 -0.000 0.022) 0.475 1.361 ( -1.542 0.000 0.918) 1.794 1.420 ( -0.055 0.000 0.052) 0.075 1.485 ( 2.163 -0.000 0.618) 2.250 1.509 ( 0.627 -0.000 0.795) 1.012 1.537 ( -0.812 0.000 0.592) 1.005 1.594 ( -0.735 0.000 -1.789) 1.934 1.652 ( -1.719 0.000 -0.969) 1.974 1.694 ( -1.031 0.000 0.708) 1.251 1.909 ( 0.176 -0.000 -0.563) 0.590 1.983 ( 1.082 -0.000 0.722) 1.301 2.154 ( -0.187 0.000 -1.056) 1.073 2.284 ( -0.676 0.000 -0.545) 0.869 2.320 ( 0.134 -0.000 0.197) 0.238 2.357 ( 0.431 -0.000 0.503) 0.662 2.377 ( 0.030 -0.000 -0.154) 0.157 2.426 ( -0.111 0.000 -0.092) 0.144 2.470 ( 0.176 -0.000 0.163) 0.239 2.478 ( 2.908 -0.000 2.485) 3.826 2.529 ( -3.115 0.000 -2.607) 4.062 2.590 ( -0.206 0.000 0.061) 0.215 2.636 ( -0.097 0.000 0.019) 0.099 2.712 ( 0.567 -0.000 -0.024) 0.567 2.751 ( -0.122 0.000 -0.032) 0.127 2.799 ( 0.315 -0.000 -0.030) 0.317 2.909 ( 0.150 -0.000 2.101) 2.107 2.992 ( 0.615 -0.000 3.371) 3.426 3.015 ( 1.694 -0.000 -0.847) 1.894 3.024 ( -1.315 0.000 -4.129) 4.333 3.085 ( -2.190 0.000 -0.111) 2.193 3.103 ( 0.374 -0.000 0.134) 0.397 3.278 ( 0.492 -0.000 -0.095) 0.501 3.300 ( 0.554 -0.000 0.468) 0.725 3.321 ( -0.411 0.000 -0.186) 0.451 3.371 ( -0.453 0.000 0.466) 0.650 3.430 ( 0.385 -0.000 0.141) 0.410 3.454 ( 0.078 -0.000 -0.196) 0.211 3.475 ( -0.265 0.000 -0.113) 0.288 3.476 ( 0.128 -0.000 0.023) 0.130 3.490 ( -0.076 0.000 -0.101) 0.127 3.589 ( 0.275 -0.000 0.056) 0.281 3.620 ( 0.075 -0.000 1.033) 1.035 3.683 ( 0.113 -0.000 -0.120) 0.165 3.739 ( 0.119 -0.000 0.042) 0.126 3.752 ( -0.146 0.000 -0.164) 0.219 3.796 ( 0.064 -0.000 0.025) 0.069 3.797 ( -0.276 0.000 -0.261) 0.380 3.914 ( -0.017 0.000 0.110) 0.111 3.916 ( -0.008 0.000 0.124) 0.124 4.286 ( -0.109 0.000 -0.069) 0.129 4.302 ( 0.034 -0.000 0.017) 0.038 4.396 ( 0.073 -0.000 -0.140) 0.158 4.408 ( 0.878 -0.000 0.350) 0.945 4.424 ( -0.646 0.000 -0.314) 0.719 4.438 ( -0.018 0.000 0.138) 0.139 4.439 ( -0.244 0.000 -0.034) 0.246 4.453 ( -0.064 0.000 -0.056) 0.086 4.833 ( 0.062 -0.000 -0.005) 0.062 4.859 ( 0.082 -0.000 0.002) 0.082 5.043 ( -0.046 0.000 -0.028) 0.053 5.045 ( -0.047 0.000 -0.078) 0.091 5.049 ( 0.072 -0.000 0.110) 0.131 5.055 ( -0.003 0.000 -0.016) 0.016 5.118 ( -0.110 0.000 -0.123) 0.165 5.124 ( 0.067 -0.000 0.005) 0.067 7.329 ( -0.022 0.000 0.021) 0.030 7.344 ( -0.111 0.000 -0.072) 0.132 7.379 ( 0.019 -0.000 -0.075) 0.077 7.400 ( 0.120 -0.000 -0.012) 0.121 7.918 ( 0.009 -0.000 -0.139) 0.139 7.991 ( 0.477 -0.000 -0.344) 0.588 8.004 ( -0.598 0.000 0.361) 0.699 8.039 ( -0.140 0.000 -0.002) 0.140 8.128 ( 0.140 -0.000 -0.270) 0.305 8.140 ( 0.274 -0.000 -0.420) 0.501 8.201 ( 0.697 -0.000 0.324) 0.769 8.208 ( 0.525 -0.000 -0.296) 0.603 8.270 ( -0.818 0.000 0.099) 0.824 8.429 ( 0.270 -0.000 -0.056) 0.275 8.485 ( -0.377 0.000 0.328) 0.500 8.490 ( -0.100 0.000 -0.086) 0.131 ======================= Grid point 42 (25/95) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.000 -3.514 0.000) 3.514 0.571 ( 0.000 -4.448 0.000) 4.448 0.580 ( 0.000 -4.341 0.000) 4.341 0.642 ( 0.000 -6.279 0.000) 6.279 0.731 ( 0.000 -19.390 0.000) 19.390 0.818 ( 0.000 -10.822 0.000) 10.822 0.834 ( 0.000 -17.268 0.000) 17.268 0.910 ( 0.000 -0.486 0.000) 0.486 0.936 ( 0.000 -5.383 0.000) 5.383 0.940 ( -0.000 1.582 -0.000) 1.582 1.004 ( 0.000 -9.009 0.000) 9.009 1.158 ( 0.000 -6.126 0.000) 6.126 1.186 ( -0.000 2.690 -0.000) 2.690 1.229 ( -0.000 0.017 -0.000) 0.017 1.302 ( 0.000 -1.592 0.000) 1.592 1.311 ( 0.000 -1.657 0.000) 1.657 1.345 ( -0.000 0.558 -0.000) 0.558 1.436 ( -0.000 4.568 -0.000) 4.568 1.444 ( 0.000 -2.204 0.000) 2.204 1.522 ( 0.000 -0.274 0.000) 0.274 1.531 ( -0.000 0.172 -0.000) 0.172 1.570 ( -0.000 2.170 -0.000) 2.170 1.617 ( -0.000 2.984 -0.000) 2.984 1.702 ( 0.000 -0.988 0.000) 0.988 1.899 ( -0.000 0.649 -0.000) 0.649 1.976 ( -0.000 0.980 -0.000) 0.980 2.173 ( 0.000 -1.826 0.000) 1.826 2.271 ( -0.000 1.082 -0.000) 1.082 2.318 ( -0.000 0.737 -0.000) 0.737 2.369 ( 0.000 -1.764 0.000) 1.764 2.396 ( 0.000 -1.701 0.000) 1.701 2.431 ( 0.000 -0.529 0.000) 0.529 2.452 ( -0.000 1.061 -0.000) 1.061 2.504 ( 0.000 -0.724 0.000) 0.724 2.534 ( 0.000 -1.634 0.000) 1.634 2.596 ( 0.000 -0.639 0.000) 0.639 2.632 ( -0.000 0.318 -0.000) 0.318 2.717 ( 0.000 -0.399 0.000) 0.399 2.762 ( 0.000 -0.795 0.000) 0.795 2.811 ( 0.000 -1.004 0.000) 1.004 2.868 ( -0.000 3.862 -0.000) 3.862 2.988 ( -0.000 2.423 -0.000) 2.423 3.003 ( 0.000 -0.088 0.000) 0.088 3.024 ( 0.000 -0.200 0.000) 0.200 3.073 ( -0.000 0.805 -0.000) 0.805 3.104 ( 0.000 -0.070 0.000) 0.070 3.262 ( -0.000 4.241 -0.000) 4.241 3.274 ( -0.000 0.624 -0.000) 0.624 3.318 ( -0.000 0.606 -0.000) 0.606 3.346 ( -0.000 2.759 -0.000) 2.759 3.388 ( -0.000 4.337 -0.000) 4.337 3.401 ( -0.000 5.103 -0.000) 5.103 3.442 ( -0.000 2.081 -0.000) 2.081 3.446 ( -0.000 3.841 -0.000) 3.841 3.476 ( 0.000 -0.101 0.000) 0.101 3.592 ( -0.000 2.772 -0.000) 2.772 3.614 ( 0.000 -1.954 0.000) 1.954 3.708 ( 0.000 -1.939 0.000) 1.939 3.753 ( 0.000 -1.399 0.000) 1.399 3.780 ( 0.000 -2.319 0.000) 2.319 3.796 ( 0.000 -0.479 0.000) 0.479 3.816 ( 0.000 -1.526 0.000) 1.526 3.923 ( 0.000 -1.046 0.000) 1.046 3.931 ( 0.000 -1.333 0.000) 1.333 4.274 ( -0.000 0.990 -0.000) 0.990 4.297 ( -0.000 0.667 -0.000) 0.667 4.399 ( -0.000 0.866 -0.000) 0.866 4.412 ( 0.000 -1.909 0.000) 1.909 4.415 ( -0.000 0.674 -0.000) 0.674 4.441 ( 0.000 -1.688 0.000) 1.688 4.481 ( 0.000 -2.884 0.000) 2.884 4.492 ( 0.000 -3.404 0.000) 3.404 4.827 ( -0.000 0.665 -0.000) 0.665 4.848 ( -0.000 1.098 -0.000) 1.098 5.027 ( -0.000 1.768 -0.000) 1.768 5.040 ( -0.000 1.655 -0.000) 1.655 5.051 ( 0.000 -0.922 0.000) 0.922 5.066 ( 0.000 -1.355 0.000) 1.355 5.130 ( 0.000 -1.153 0.000) 1.153 5.135 ( 0.000 -1.016 0.000) 1.016 7.332 ( 0.000 -0.413 0.000) 0.413 7.350 ( 0.000 -0.581 0.000) 0.581 7.386 ( 0.000 -0.763 0.000) 0.763 7.403 ( 0.000 -0.241 0.000) 0.241 7.942 ( 0.000 -2.354 0.000) 2.354 7.989 ( -0.000 0.745 -0.000) 0.745 8.001 ( 0.000 -0.834 0.000) 0.834 8.046 ( 0.000 -0.139 0.000) 0.139 8.134 ( -0.000 0.642 -0.000) 0.642 8.145 ( 0.000 -1.314 0.000) 1.314 8.202 ( -0.000 0.026 -0.000) 0.026 8.205 ( -0.000 0.464 -0.000) 0.464 8.285 ( 0.000 -1.808 0.000) 1.808 8.429 ( -0.000 0.076 -0.000) 0.076 8.454 ( -0.000 1.694 -0.000) 1.694 8.507 ( 0.000 -0.454 0.000) 0.454 ======================= Grid point 85 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.188 ( -3.253 0.000 8.717) 9.304 0.217 ( 1.575 -0.000 10.187) 10.308 0.449 ( -0.133 0.000 20.621) 20.622 0.465 ( 2.582 -0.000 -3.109) 4.042 0.559 ( 0.218 -0.000 -3.936) 3.942 0.659 ( -0.815 0.000 -1.232) 1.477 0.683 ( 0.411 -0.000 -2.226) 2.263 0.720 ( 5.533 -0.000 0.917) 5.608 0.818 ( -5.519 0.000 -2.622) 6.110 0.996 ( -0.583 0.000 -2.122) 2.200 1.007 ( -0.185 0.000 1.922) 1.931 1.116 ( -0.321 0.000 -5.205) 5.215 1.247 ( 0.192 -0.000 2.283) 2.291 1.281 ( -1.926 0.000 1.164) 2.250 1.307 ( -0.452 0.000 0.536) 0.701 1.335 ( 1.917 -0.000 -0.891) 2.114 1.432 ( -0.856 0.000 1.439) 1.674 1.435 ( 2.228 -0.000 0.227) 2.240 1.440 ( -1.072 0.000 0.323) 1.120 1.486 ( -0.656 0.000 -1.504) 1.641 1.517 ( 1.719 -0.000 1.047) 2.013 1.641 ( -0.464 0.000 -4.151) 4.177 1.727 ( 2.394 -0.000 1.143) 2.653 1.774 ( -0.643 0.000 -1.301) 1.451 1.920 ( -4.926 0.000 0.136) 4.928 1.931 ( -0.269 0.000 -0.283) 0.390 2.196 ( -1.745 0.000 0.611) 1.849 2.283 ( 2.698 -0.000 -2.177) 3.467 2.290 ( 1.379 -0.000 3.902) 4.138 2.341 ( -0.363 0.000 0.056) 0.368 2.379 ( -0.709 0.000 -1.435) 1.600 2.398 ( 0.615 -0.000 2.376) 2.454 2.426 ( 0.927 -0.000 -1.456) 1.726 2.484 ( -1.903 0.000 -1.654) 2.521 2.563 ( 4.818 -0.000 1.827) 5.153 2.592 ( -0.052 0.000 0.588) 0.591 2.655 ( -3.212 0.000 -1.763) 3.664 2.692 ( -1.464 0.000 -3.902) 4.167 2.769 ( -0.353 0.000 -0.094) 0.365 2.773 ( 1.921 -0.000 -0.544) 1.997 2.912 ( 1.819 -0.000 2.654) 3.217 2.955 ( 3.229 -0.000 -0.489) 3.265 2.959 ( -2.452 0.000 1.541) 2.896 3.074 ( -2.247 0.000 -1.758) 2.854 3.125 ( -2.108 0.000 1.185) 2.419 3.219 ( 3.761 -0.000 0.078) 3.762 3.250 ( -2.375 0.000 1.389) 2.752 3.258 ( 0.930 -0.000 2.648) 2.807 3.341 ( -0.517 0.000 -0.089) 0.524 3.410 ( 0.071 -0.000 -1.802) 1.803 3.435 ( 0.378 -0.000 -0.011) 0.378 3.460 ( -0.057 0.000 -0.797) 0.799 3.483 ( 0.337 -0.000 -0.237) 0.412 3.485 ( 0.263 -0.000 -1.260) 1.287 3.550 ( -8.080 0.000 0.153) 8.081 3.556 ( 3.135 -0.000 -0.229) 3.144 3.600 ( -0.101 0.000 2.313) 2.315 3.664 ( 0.908 -0.000 -1.055) 1.392 3.738 ( -0.683 0.000 0.732) 1.001 3.764 ( -0.259 0.000 -0.444) 0.513 3.793 ( 0.213 -0.000 0.349) 0.409 3.821 ( -0.420 0.000 -0.833) 0.933 3.915 ( 0.193 -0.000 0.696) 0.723 3.945 ( -1.107 0.000 -0.541) 1.233 4.297 ( -0.196 0.000 -0.007) 0.196 4.298 ( 0.143 -0.000 -0.058) 0.154 4.381 ( 0.181 -0.000 0.201) 0.271 4.394 ( -0.341 0.000 -0.353) 0.491 4.427 ( 0.728 -0.000 0.644) 0.972 4.436 ( -0.098 0.000 0.236) 0.255 4.452 ( -0.153 0.000 -0.284) 0.322 4.455 ( -0.140 0.000 -0.401) 0.425 4.832 ( -0.204 0.000 0.357) 0.411 4.850 ( 0.191 -0.000 -0.346) 0.395 5.037 ( 0.105 -0.000 0.134) 0.171 5.046 ( -0.125 0.000 -0.206) 0.241 5.051 ( 0.061 -0.000 0.089) 0.108 5.056 ( -0.097 0.000 -0.099) 0.138 5.114 ( 0.408 -0.000 0.245) 0.476 5.126 ( -0.214 0.000 -0.235) 0.318 7.332 ( -0.042 0.000 0.256) 0.260 7.352 ( -0.107 0.000 -0.523) 0.533 7.381 ( -0.299 0.000 0.027) 0.300 7.383 ( 0.442 -0.000 -0.068) 0.447 7.924 ( -0.550 0.000 0.119) 0.563 7.957 ( 0.895 -0.000 -1.584) 1.819 8.054 ( -0.191 0.000 0.179) 0.262 8.055 ( 1.375 -0.000 1.011) 1.707 8.081 ( -4.982 0.000 1.025) 5.086 8.138 ( -1.015 0.000 0.676) 1.219 8.149 ( 0.792 -0.000 -1.353) 1.568 8.170 ( 0.795 -0.000 -0.432) 0.904 8.322 ( -1.006 0.000 1.631) 1.916 8.397 ( 1.771 -0.000 -1.494) 2.317 8.474 ( 3.256 -0.000 0.824) 3.359 8.497 ( -0.199 0.000 -0.231) 0.305 ======================= Grid point 86 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 2.297 -6.973 5.801) 9.356 0.447 ( 1.705 -5.706 12.127) 13.511 0.510 ( 5.002 -4.493 -3.199) 7.446 0.697 ( -0.537 -18.622 4.250) 19.109 0.728 ( 2.539 -7.905 -0.159) 8.304 0.781 ( 1.134 -11.012 1.945) 11.240 0.807 ( 1.397 -8.106 -3.120) 8.798 0.832 ( -1.911 -10.373 -1.639) 10.674 0.857 ( -1.378 -13.144 -2.115) 13.384 0.983 ( -2.211 -3.388 -0.742) 4.113 1.074 ( -1.787 -6.344 -0.200) 6.594 1.099 ( 0.982 -1.828 -1.868) 2.792 1.190 ( -1.481 3.717 0.890) 4.099 1.238 ( 1.973 3.795 -0.139) 4.279 1.317 ( -1.492 -0.236 1.618) 2.214 1.369 ( 1.746 -1.154 0.126) 2.097 1.388 ( 0.563 0.150 1.159) 1.297 1.423 ( -1.210 2.189 -1.526) 2.930 1.463 ( -0.529 0.384 0.457) 0.798 1.490 ( 0.485 -0.932 -0.539) 1.181 1.539 ( 1.355 -1.144 1.252) 2.171 1.608 ( -0.546 2.079 -3.147) 3.811 1.716 ( 1.538 1.891 1.249) 2.739 1.747 ( -2.722 1.706 -1.272) 3.455 1.909 ( -1.536 -0.234 0.827) 1.760 1.929 ( 0.175 0.208 -0.063) 0.279 2.194 ( -0.591 0.086 1.096) 1.249 2.270 ( 0.286 0.566 -1.497) 1.626 2.306 ( 0.155 0.489 2.109) 2.171 2.365 ( 0.196 -1.208 -0.620) 1.371 2.380 ( 0.973 -1.441 -0.877) 1.947 2.402 ( 0.312 -0.148 -1.758) 1.792 2.464 ( 0.506 -2.741 0.956) 2.946 2.490 ( -2.117 -1.873 -0.834) 2.947 2.582 ( 2.227 0.115 1.519) 2.698 2.615 ( 2.269 -1.287 0.892) 2.757 2.627 ( -1.039 0.443 -1.122) 1.592 2.675 ( -2.864 0.281 -3.247) 4.339 2.761 ( -0.257 0.498 -0.216) 0.600 2.786 ( 0.986 -0.571 -1.520) 1.899 2.914 ( 1.119 1.125 3.277) 3.641 2.940 ( -2.397 0.966 1.161) 2.833 2.965 ( 2.895 0.181 -0.920) 3.043 3.053 ( -1.464 0.760 -1.662) 2.342 3.089 ( -1.845 2.654 0.369) 3.253 3.184 ( 2.959 5.088 -1.471) 6.067 3.247 ( -2.175 0.368 2.850) 3.604 3.264 ( 0.758 1.164 2.130) 2.543 3.315 ( -0.853 1.155 2.066) 2.515 3.371 ( -0.807 2.402 1.136) 2.777 3.385 ( -0.180 4.420 0.527) 4.455 3.416 ( -0.190 4.486 -0.154) 4.493 3.424 ( -1.377 3.169 0.401) 3.479 3.451 ( -0.245 3.501 -0.320) 3.524 3.496 ( -0.963 1.651 -0.101) 1.914 3.561 ( 3.005 1.986 -0.184) 3.607 3.612 ( -0.462 -1.387 1.562) 2.139 3.675 ( 0.910 -1.436 -1.445) 2.231 3.760 ( -0.105 -2.097 0.863) 2.270 3.786 ( -0.305 -2.014 -0.512) 2.100 3.803 ( 0.141 -1.008 0.323) 1.067 3.820 ( -0.492 -0.584 -0.771) 1.085 3.926 ( 0.188 -0.955 0.749) 1.228 3.938 ( -0.514 -0.914 0.326) 1.098 4.286 ( -0.397 0.897 0.033) 0.982 4.292 ( 0.223 0.681 -0.077) 0.720 4.403 ( 0.039 -0.924 0.011) 0.925 4.405 ( 0.248 -0.246 0.168) 0.387 4.415 ( -0.146 -1.523 -0.154) 1.538 4.421 ( 0.071 0.801 -0.096) 0.810 4.485 ( 0.450 -3.170 0.397) 3.226 4.499 ( -0.210 -2.960 -0.404) 2.994 4.828 ( -0.139 0.463 0.319) 0.579 4.845 ( 0.129 0.663 -0.369) 0.769 5.029 ( 0.090 2.232 0.022) 2.234 5.030 ( 0.006 2.144 -0.026) 2.144 5.057 ( -0.179 -1.111 -0.017) 1.125 5.073 ( -0.174 -1.989 -1.146) 2.302 5.133 ( 0.129 -1.358 0.157) 1.373 5.139 ( -0.143 -1.250 -0.180) 1.271 7.338 ( -0.115 -0.532 0.225) 0.589 7.354 ( -0.084 -0.440 -0.521) 0.687 7.382 ( 0.025 -0.421 0.199) 0.466 7.392 ( 0.231 -0.614 -0.237) 0.698 7.961 ( -0.172 -1.314 -1.182) 1.776 7.976 ( 0.175 -2.059 -2.294) 3.087 8.035 ( -0.872 0.377 1.230) 1.555 8.068 ( -1.995 -0.023 1.106) 2.281 8.092 ( 1.541 -0.855 -0.079) 1.764 8.140 ( 0.114 -0.214 0.009) 0.243 8.164 ( 1.320 -0.824 0.162) 1.565 8.207 ( -1.037 -2.798 -2.293) 3.763 8.330 ( -1.338 -1.053 0.616) 1.811 8.394 ( 1.493 0.522 -1.449) 2.145 8.469 ( 0.204 1.220 0.865) 1.510 8.492 ( 0.853 0.516 -0.300) 1.041 ======================= Grid point 87 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 3.208 -6.520 3.960) 8.275 0.574 ( 2.528 -3.332 6.948) 8.110 0.612 ( 5.170 -6.072 -1.906) 8.199 0.751 ( -2.383 0.133 -2.726) 3.623 0.824 ( 2.611 -2.878 1.979) 4.361 0.861 ( -2.140 -2.047 -3.982) 4.962 0.972 ( -0.233 -3.006 -0.326) 3.033 0.993 ( 0.588 -2.001 -0.298) 2.107 1.032 ( -0.797 4.076 1.011) 4.274 1.071 ( -0.196 0.744 -0.783) 1.098 1.219 ( 0.005 -13.449 1.599) 13.543 1.242 ( 0.872 -8.288 -0.253) 8.337 1.273 ( -0.487 -0.376 -1.279) 1.419 1.314 ( -0.007 -6.259 0.442) 6.275 1.347 ( 0.657 -5.503 0.048) 5.542 1.353 ( -0.798 -1.787 -0.639) 2.059 1.399 ( -2.815 -7.778 1.582) 8.422 1.476 ( 1.770 -10.740 1.934) 11.056 1.496 ( -2.224 -7.297 -0.754) 7.666 1.500 ( 1.819 -2.886 -0.632) 3.470 1.562 ( -0.705 0.123 -0.880) 1.135 1.583 ( 2.827 -3.163 1.080) 4.377 1.695 ( -0.271 1.319 0.878) 1.607 1.702 ( -3.060 -1.044 -1.189) 3.445 1.908 ( -1.025 -0.124 0.415) 1.113 1.930 ( 0.926 -0.236 0.211) 0.978 2.196 ( 0.947 0.128 2.206) 2.404 2.250 ( -1.115 0.744 -1.994) 2.402 2.312 ( -0.401 -0.747 1.530) 1.749 2.389 ( 0.577 -1.560 -0.402) 1.711 2.398 ( 0.819 -0.388 -1.749) 1.970 2.409 ( 0.534 -1.072 -1.855) 2.208 2.507 ( -1.657 -1.805 0.454) 2.492 2.532 ( 0.257 -2.680 0.604) 2.759 2.588 ( -0.066 0.450 1.054) 1.148 2.623 ( -0.157 -0.262 -0.172) 0.350 2.633 ( -2.098 0.437 -0.969) 2.352 2.657 ( 3.065 -0.018 -0.094) 3.066 2.743 ( 0.062 1.631 0.106) 1.636 2.792 ( -0.152 -0.670 -2.781) 2.864 2.898 ( 0.783 1.904 1.886) 2.792 2.918 ( -2.791 0.350 0.953) 2.970 2.969 ( 1.951 0.667 -0.092) 2.064 3.025 ( -0.337 1.419 -0.331) 1.496 3.036 ( -0.633 2.061 -1.610) 2.691 3.088 ( 1.715 5.404 -1.206) 5.796 3.192 ( -1.786 5.642 0.793) 5.971 3.240 ( 1.469 2.771 1.813) 3.623 3.262 ( -0.833 7.593 0.474) 7.653 3.287 ( -0.408 7.213 0.735) 7.262 3.302 ( -1.054 3.913 1.513) 4.326 3.336 ( -0.135 1.146 1.381) 1.800 3.379 ( -1.359 1.091 0.543) 1.825 3.408 ( 0.423 0.636 0.313) 0.825 3.476 ( 0.224 0.384 -1.442) 1.509 3.517 ( 2.015 3.227 -0.989) 3.931 3.651 ( -0.106 -2.111 1.130) 2.396 3.707 ( 0.996 -1.793 -1.545) 2.568 3.799 ( -0.304 -1.747 1.055) 2.064 3.819 ( -0.256 -1.737 -0.129) 1.760 3.828 ( -0.389 -1.610 -0.306) 1.684 3.840 ( 0.262 -1.640 -0.358) 1.699 3.954 ( -0.017 -1.721 0.659) 1.843 3.965 ( -0.240 -1.811 -0.053) 1.828 4.265 ( -0.389 1.067 0.114) 1.142 4.276 ( 0.183 1.113 -0.122) 1.135 4.394 ( -0.130 0.388 0.080) 0.417 4.396 ( 0.130 0.787 0.028) 0.798 4.458 ( 0.382 -2.894 0.197) 2.926 4.462 ( 0.037 -2.971 -0.298) 2.986 4.554 ( 0.239 -3.951 0.186) 3.962 4.559 ( -0.136 -3.691 -0.195) 3.698 4.816 ( -0.150 0.821 0.259) 0.874 4.827 ( -0.107 1.110 -0.291) 1.152 4.980 ( 0.050 3.035 -0.015) 3.035 4.983 ( 0.429 2.962 0.012) 2.993 5.078 ( -0.186 -1.054 0.223) 1.093 5.095 ( -0.179 -0.910 -0.662) 1.140 5.157 ( -0.131 -1.158 0.109) 1.170 5.161 ( -0.121 -1.138 -0.091) 1.148 7.351 ( -0.265 -0.889 0.101) 0.933 7.364 ( 0.038 -0.729 -0.421) 0.843 7.397 ( 0.237 -0.989 0.239) 1.045 7.404 ( 0.105 -0.637 -0.213) 0.680 7.977 ( 0.066 -0.743 -0.333) 0.817 8.000 ( 0.021 -1.197 -1.776) 2.142 8.036 ( -0.711 -0.430 1.260) 1.509 8.064 ( -1.191 -0.009 0.758) 1.412 8.104 ( 0.404 -0.248 -0.125) 0.490 8.144 ( 0.806 -0.110 -0.523) 0.967 8.183 ( 0.826 -0.125 1.794) 1.979 8.227 ( -1.071 -0.659 -1.769) 2.171 8.349 ( -1.345 -1.410 -0.299) 1.971 8.390 ( 1.579 0.213 -1.028) 1.896 8.450 ( -0.874 0.668 0.725) 1.317 8.483 ( 1.176 0.831 -0.199) 1.453 ======================= Grid point 88 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 3.663 -4.334 2.813) 6.334 0.629 ( 0.243 -1.708 0.256) 1.745 0.752 ( 4.361 -5.953 0.159) 7.381 0.762 ( -0.426 -4.167 -3.145) 5.238 0.896 ( 0.681 -3.203 3.490) 4.786 0.908 ( -2.115 -3.138 -1.025) 3.921 0.938 ( -0.231 2.156 0.372) 2.200 0.967 ( 1.669 3.192 -0.793) 3.688 1.013 ( 0.292 -0.120 0.749) 0.812 1.059 ( 1.448 -0.299 -1.043) 1.809 1.174 ( 0.395 5.634 2.422) 6.145 1.236 ( -1.164 5.230 -1.468) 5.555 1.257 ( -2.307 3.746 -0.191) 4.404 1.289 ( 0.665 3.985 -0.203) 4.045 1.348 ( -2.601 0.607 -2.096) 3.395 1.412 ( 0.624 1.746 0.626) 1.957 1.471 ( -3.183 -0.088 -0.035) 3.184 1.534 ( 1.209 -1.468 1.675) 2.535 1.595 ( -3.198 -0.667 -2.289) 3.989 1.647 ( 4.670 0.958 1.031) 4.878 1.800 ( -1.597 -11.543 0.081) 11.653 1.821 ( 0.099 -14.668 0.179) 14.669 1.847 ( 0.593 -18.105 0.600) 18.124 1.856 ( 1.216 -17.977 0.107) 18.019 1.929 ( -1.212 -6.208 1.224) 6.442 1.987 ( 0.149 -8.919 -0.500) 8.935 2.212 ( 1.623 -0.630 2.302) 2.886 2.230 ( -1.270 0.093 -1.400) 1.893 2.336 ( -0.410 -1.741 1.110) 2.105 2.403 ( 0.280 -0.640 -2.321) 2.424 2.418 ( 0.615 -0.923 -0.086) 1.113 2.437 ( 1.651 -2.076 -1.103) 2.873 2.532 ( -1.413 -1.482 0.613) 2.138 2.560 ( -0.607 2.000 0.072) 2.092 2.565 ( -1.532 -0.747 -0.167) 1.712 2.618 ( -0.139 0.549 0.308) 0.644 2.629 ( -0.412 -0.456 -0.007) 0.614 2.671 ( 3.127 0.632 0.911) 3.317 2.707 ( -0.794 1.706 0.111) 1.885 2.786 ( 0.232 1.105 -3.786) 3.951 2.864 ( -0.773 2.056 0.674) 2.298 2.890 ( -1.412 3.073 0.472) 3.414 2.948 ( 0.133 2.680 0.263) 2.696 2.968 ( -0.361 4.949 0.226) 4.968 2.991 ( 1.043 2.781 -0.397) 2.997 3.010 ( 0.272 5.126 -0.540) 5.161 3.064 ( -0.177 6.558 0.863) 6.617 3.108 ( -0.830 5.834 2.473) 6.390 3.127 ( 1.548 6.295 -1.967) 6.775 3.198 ( -0.026 5.227 -1.258) 5.376 3.241 ( -1.354 1.342 3.795) 4.247 3.328 ( 0.689 0.606 -0.151) 0.930 3.367 ( -1.447 0.030 0.421) 1.507 3.414 ( 0.296 -0.493 0.281) 0.640 3.465 ( 1.247 2.001 -0.847) 2.506 3.473 ( 0.232 0.405 -1.590) 1.657 3.687 ( -0.133 -1.502 0.984) 1.800 3.737 ( 0.928 -1.336 -1.453) 2.182 3.825 ( -0.485 -1.006 1.066) 1.544 3.848 ( -0.296 -1.480 0.099) 1.512 3.853 ( -0.144 -1.180 -0.332) 1.234 3.871 ( 0.384 -1.510 -0.313) 1.590 3.987 ( -0.075 -1.587 0.526) 1.674 3.994 ( -0.316 -1.357 -0.190) 1.406 4.246 ( -0.210 0.833 0.113) 0.866 4.255 ( 0.119 1.101 -0.111) 1.113 4.386 ( 0.151 0.527 0.205) 0.586 4.389 ( -0.135 0.142 -0.140) 0.241 4.512 ( 0.078 -2.490 0.059) 2.492 4.516 ( 0.035 -2.781 -0.097) 2.783 4.629 ( -0.141 -4.114 -0.234) 4.123 4.633 ( 0.508 -4.088 0.223) 4.125 4.799 ( -0.089 0.933 0.255) 0.972 4.803 ( -0.371 1.177 -0.276) 1.264 4.920 ( 0.066 3.390 0.030) 3.391 4.928 ( 0.465 3.137 -0.037) 3.172 5.093 ( -0.085 -0.649 0.256) 0.703 5.104 ( -0.087 -0.322 -0.366) 0.495 5.174 ( -0.123 -0.710 0.094) 0.726 5.177 ( -0.150 -0.619 -0.084) 0.643 7.367 ( -0.304 -0.944 -0.020) 0.992 7.377 ( 0.154 -0.689 -0.229) 0.742 7.412 ( -0.070 -0.426 0.075) 0.438 7.420 ( 0.379 -0.913 -0.034) 0.989 7.988 ( -0.197 -0.436 0.175) 0.510 8.013 ( 0.444 -0.524 -1.018) 1.228 8.047 ( -0.320 -0.566 0.889) 1.102 8.061 ( -0.833 0.029 0.287) 0.881 8.109 ( -0.202 -0.254 0.063) 0.331 8.149 ( 1.138 -0.050 -0.477) 1.235 8.184 ( -0.255 0.433 1.446) 1.531 8.222 ( -0.599 0.129 -1.309) 1.445 8.366 ( -0.734 -1.028 -0.160) 1.273 8.393 ( 1.007 0.049 -0.285) 1.048 8.441 ( -0.717 0.069 0.199) 0.747 8.472 ( 0.992 0.818 -0.111) 1.291 ======================= Grid point 89 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -0.499 -0.155 -0.297) 0.601 0.693 ( 0.890 -5.612 1.187) 5.805 0.833 ( 0.063 -2.168 -0.013) 2.169 0.868 ( 3.497 -3.230 -0.201) 4.765 0.885 ( -0.527 0.829 0.781) 1.255 0.919 ( 0.977 -0.054 -1.024) 1.416 0.961 ( -1.333 -1.266 2.670) 3.241 0.992 ( 0.656 1.069 -0.352) 1.302 1.012 ( 0.532 -2.979 -0.832) 3.139 1.048 ( 0.352 1.028 0.429) 1.168 1.097 ( -0.898 4.109 1.182) 4.369 1.140 ( -0.602 2.615 0.237) 2.693 1.193 ( 0.327 2.813 1.168) 3.063 1.205 ( -0.541 2.303 -1.841) 2.998 1.303 ( -1.682 1.312 -2.896) 3.597 1.361 ( 0.981 2.920 0.758) 3.172 1.466 ( -1.826 -0.491 0.055) 1.892 1.549 ( -2.540 -0.351 -0.481) 2.609 1.588 ( -1.197 -0.199 -0.725) 1.414 1.640 ( 4.655 1.748 0.430) 4.991 1.863 ( 0.107 -0.387 0.232) 0.464 1.883 ( 0.232 -0.293 -0.538) 0.655 2.126 ( -0.433 -6.127 0.361) 6.153 2.148 ( -1.115 -7.554 2.173) 7.939 2.177 ( 0.984 -10.630 0.243) 10.678 2.198 ( -1.432 -9.048 -0.037) 9.160 2.254 ( -0.142 -5.204 -0.867) 5.278 2.280 ( 1.854 -5.765 0.093) 6.056 2.386 ( 0.559 -3.240 1.527) 3.625 2.414 ( -0.100 -0.768 -2.074) 2.214 2.449 ( 0.012 -3.026 0.232) 3.035 2.490 ( 2.090 -2.629 -0.810) 3.454 2.509 ( -1.340 1.952 0.068) 2.369 2.534 ( -2.248 0.788 0.370) 2.411 2.579 ( 1.258 -0.624 0.494) 1.489 2.599 ( -1.017 1.877 -0.730) 2.256 2.629 ( -0.114 0.657 0.623) 0.912 2.663 ( 1.056 0.941 1.129) 1.811 2.679 ( 0.178 1.272 -1.102) 1.692 2.708 ( 0.084 5.618 -2.806) 6.280 2.771 ( -0.066 6.869 -0.200) 6.872 2.788 ( -0.204 5.206 0.129) 5.211 2.864 ( -1.997 3.778 -1.070) 4.405 2.891 ( -0.774 2.004 1.578) 2.665 2.906 ( 1.518 3.896 1.154) 4.338 2.964 ( 0.658 0.486 -0.436) 0.927 2.991 ( 0.507 1.443 2.654) 3.063 3.048 ( -0.734 1.288 -0.749) 1.661 3.108 ( -0.420 -0.231 -0.205) 0.521 3.123 ( 0.601 0.941 0.039) 1.117 3.222 ( -1.240 1.040 1.956) 2.538 3.315 ( 1.037 1.002 -1.091) 1.808 3.366 ( -0.814 -0.412 0.180) 0.930 3.415 ( 0.726 0.545 -1.001) 1.351 3.443 ( 0.089 0.366 0.097) 0.389 3.469 ( 0.467 0.112 -1.095) 1.196 3.707 ( -0.371 -0.457 0.847) 1.032 3.755 ( 0.811 -0.542 -1.327) 1.647 3.838 ( -0.525 -0.279 0.961) 1.130 3.866 ( 0.224 -0.445 -0.345) 0.606 3.869 ( -0.336 -0.680 0.337) 0.830 3.893 ( 0.244 -0.651 -0.305) 0.759 4.007 ( -0.184 -0.389 0.212) 0.480 4.012 ( -0.079 -0.725 -0.007) 0.729 4.235 ( -0.037 0.261 0.044) 0.268 4.239 ( 0.027 0.545 -0.045) 0.548 4.379 ( -0.036 0.286 0.241) 0.375 4.387 ( 0.024 -0.014 -0.202) 0.204 4.546 ( -0.185 -1.097 0.001) 1.113 4.555 ( 0.144 -1.150 -0.009) 1.159 4.694 ( -0.154 -2.489 -0.190) 2.501 4.702 ( 0.475 -2.467 0.201) 2.520 4.782 ( -0.377 0.678 -0.259) 0.818 4.787 ( 0.162 0.315 0.268) 0.444 4.863 ( -0.216 2.182 0.065) 2.194 4.878 ( 0.344 2.027 -0.098) 2.058 5.102 ( 0.035 -0.234 0.175) 0.294 5.105 ( -0.056 -0.048 -0.201) 0.214 5.183 ( -0.117 -0.144 -0.067) 0.197 5.183 ( -0.002 -0.258 0.070) 0.268 7.380 ( -0.209 -0.565 -0.056) 0.605 7.387 ( 0.207 -0.264 -0.014) 0.335 7.416 ( -0.205 -0.146 0.209) 0.327 7.433 ( 0.326 -0.288 -0.267) 0.510 7.993 ( -0.284 -0.235 0.405) 0.547 8.019 ( 0.442 -0.144 -0.571) 0.736 8.056 ( -0.406 -0.086 0.423) 0.593 8.057 ( -0.191 -0.076 0.259) 0.331 8.112 ( -0.242 -0.246 0.206) 0.402 8.151 ( 0.905 0.266 -0.601) 1.119 8.177 ( -0.713 0.347 0.761) 1.099 8.218 ( 0.136 -0.115 -0.781) 0.801 8.378 ( -0.442 -0.493 -0.028) 0.663 8.394 ( 0.495 0.247 0.213) 0.593 8.442 ( -0.399 -0.436 -0.267) 0.649 8.462 ( 0.580 0.619 0.005) 0.848 ======================= Grid point 90 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -4.141 1.101 0.011) 4.285 0.766 ( -0.414 1.726 0.270) 1.796 0.808 ( -1.517 3.002 0.535) 3.406 0.854 ( -1.068 1.357 0.360) 1.764 0.899 ( 0.035 2.175 0.343) 2.202 0.921 ( 1.243 1.524 1.413) 2.422 0.952 ( 1.021 -0.922 0.528) 1.474 0.993 ( 0.136 4.820 -1.378) 5.015 1.006 ( -0.851 -2.045 0.889) 2.387 1.017 ( 0.114 -1.562 -0.926) 1.820 1.108 ( -1.164 -0.548 0.971) 1.612 1.162 ( -0.256 -5.249 -0.773) 5.312 1.170 ( 0.258 -2.265 1.517) 2.738 1.224 ( 1.016 -3.142 -0.627) 3.361 1.301 ( 1.017 -2.170 -2.779) 3.670 1.354 ( 3.839 -0.918 0.726) 4.013 1.467 ( -1.282 -0.189 -0.061) 1.297 1.536 ( -2.348 0.182 -0.941) 2.536 1.576 ( -1.204 0.911 0.006) 1.510 1.632 ( 4.125 1.136 0.113) 4.280 1.862 ( 0.297 0.620 0.173) 0.709 1.885 ( 0.173 0.051 -0.398) 0.437 2.119 ( -1.037 5.393 0.829) 5.554 2.157 ( -1.560 7.966 1.474) 8.250 2.192 ( 1.054 9.196 -0.157) 9.258 2.200 ( -1.606 10.657 0.026) 10.777 2.241 ( -0.704 8.043 -0.678) 8.102 2.285 ( 1.227 3.479 1.521) 3.990 2.380 ( -0.596 4.864 0.675) 4.947 2.386 ( 0.978 0.004 -2.267) 2.469 2.466 ( -0.486 1.965 0.953) 2.237 2.481 ( 0.885 -0.544 -1.141) 1.543 2.531 ( -1.236 1.101 -0.589) 1.757 2.541 ( -0.167 -0.981 0.739) 1.240 2.560 ( 0.793 -1.601 -0.722) 1.927 2.604 ( 0.616 -0.280 -0.215) 0.710 2.609 ( 0.239 -0.905 0.937) 1.325 2.659 ( -1.506 -0.119 0.218) 1.526 2.699 ( -0.358 -4.565 -1.603) 4.852 2.727 ( 3.162 -3.900 -1.051) 5.130 2.783 ( 0.784 -7.234 0.180) 7.278 2.808 ( 1.499 -4.955 0.460) 5.197 2.842 ( -2.430 -6.913 -2.022) 7.601 2.889 ( -0.433 -1.032 2.282) 2.541 2.913 ( 0.485 -3.360 0.728) 3.472 2.967 ( 1.428 -0.034 -0.160) 1.437 2.990 ( -1.300 -1.078 2.309) 2.860 3.034 ( -0.839 -0.210 -1.344) 1.598 3.101 ( -2.962 -2.014 -0.103) 3.583 3.160 ( 1.298 -2.044 1.126) 2.670 3.207 ( -1.253 0.143 1.238) 1.768 3.298 ( 1.035 0.813 -1.027) 1.669 3.373 ( 0.015 -0.336 0.420) 0.538 3.413 ( 1.024 -0.402 -1.280) 1.688 3.435 ( -0.230 0.666 -0.072) 0.708 3.469 ( 0.697 -0.154 -0.900) 1.149 3.705 ( -0.591 0.652 0.763) 1.165 3.757 ( 0.671 0.361 -1.249) 1.463 3.836 ( -0.500 0.515 0.890) 1.144 3.868 ( 0.429 0.307 -0.297) 0.606 3.871 ( -0.327 0.442 0.359) 0.657 3.894 ( 0.076 0.544 -0.305) 0.628 4.002 ( -0.134 0.833 0.156) 0.858 4.015 ( 0.143 0.419 0.051) 0.445 4.236 ( -0.068 -0.297 0.070) 0.313 4.238 ( 0.078 -0.502 -0.072) 0.513 4.377 ( -0.169 -0.119 0.178) 0.273 4.389 ( 0.153 -0.150 -0.138) 0.255 4.545 ( -0.161 1.153 -0.002) 1.164 4.556 ( 0.223 1.096 -0.006) 1.118 4.693 ( -0.366 2.495 -0.151) 2.527 4.703 ( 0.090 2.497 0.162) 2.504 4.778 ( -0.167 -0.443 -0.082) 0.480 4.792 ( 0.365 -0.623 0.093) 0.728 4.865 ( -0.253 -2.368 0.087) 2.383 4.877 ( 0.076 -1.871 -0.120) 1.876 5.099 ( -0.124 0.353 0.044) 0.376 5.109 ( 0.169 -0.142 -0.070) 0.231 5.181 ( -0.007 0.245 -0.009) 0.246 5.185 ( 0.121 0.162 0.012) 0.202 7.384 ( -0.018 0.189 -0.079) 0.206 7.387 ( 0.169 0.389 0.003) 0.424 7.417 ( -0.228 -0.005 0.272) 0.355 7.431 ( 0.081 0.469 -0.324) 0.576 7.996 ( -0.272 -0.037 0.400) 0.485 8.020 ( 0.341 0.014 -0.527) 0.627 8.048 ( -0.383 0.534 0.284) 0.716 8.063 ( 0.088 -0.243 0.317) 0.409 8.117 ( -0.091 -0.275 0.430) 0.519 8.145 ( 0.447 0.312 -0.793) 0.963 8.168 ( -0.623 0.566 0.568) 1.015 8.224 ( 0.740 -0.531 -0.577) 1.078 8.381 ( -0.129 -0.028 -0.038) 0.137 8.390 ( 0.199 0.280 0.199) 0.397 8.450 ( -0.304 -0.667 -0.507) 0.891 8.456 ( 0.069 0.265 0.265) 0.381 ======================= Grid point 91 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -6.862 2.429 1.667) 7.468 0.635 ( -2.234 8.683 0.824) 9.003 0.724 ( -0.653 5.699 -1.913) 6.047 0.795 ( 1.667 4.958 2.545) 5.816 0.886 ( -2.082 1.743 -2.880) 3.958 0.914 ( 0.994 -0.234 0.865) 1.339 0.926 ( -1.143 -2.022 1.023) 2.538 0.996 ( 0.687 -1.413 0.911) 1.816 1.007 ( -1.756 -0.462 -0.324) 1.845 1.058 ( -0.117 0.227 -0.589) 0.642 1.145 ( -0.747 -5.555 0.386) 5.618 1.251 ( 1.479 -5.180 0.879) 5.458 1.269 ( 0.507 -4.306 -0.561) 4.372 1.302 ( 1.099 -4.183 -0.368) 4.340 1.361 ( 2.521 -3.317 -2.631) 4.927 1.402 ( 4.102 -0.240 2.121) 4.624 1.452 ( -1.188 0.591 -1.465) 1.976 1.513 ( -2.192 1.044 0.826) 2.565 1.546 ( 0.047 2.257 -0.046) 2.258 1.644 ( 3.109 -0.473 0.010) 3.145 1.794 ( 1.021 12.699 0.425) 12.747 1.826 ( 0.501 14.827 -0.391) 14.841 1.845 ( -0.912 21.842 0.545) 21.868 1.857 ( -1.759 14.535 0.579) 14.652 1.940 ( -0.748 5.508 1.264) 5.700 1.977 ( 0.804 9.091 -0.855) 9.166 2.161 ( -1.621 0.504 0.892) 1.918 2.288 ( 1.063 -0.502 0.551) 1.298 2.332 ( -1.921 1.206 0.719) 2.380 2.387 ( 0.784 0.064 -1.328) 1.543 2.440 ( -0.280 0.891 0.141) 0.945 2.464 ( -0.925 0.913 -2.996) 3.266 2.529 ( -0.382 0.747 1.260) 1.514 2.544 ( 1.786 -0.121 -0.561) 1.876 2.566 ( 0.201 1.253 0.001) 1.269 2.608 ( 0.980 0.080 0.650) 1.179 2.623 ( 0.259 0.081 0.409) 0.491 2.669 ( -1.815 -1.745 0.138) 2.522 2.727 ( -0.404 -0.881 0.165) 0.983 2.798 ( 3.313 -1.736 -2.345) 4.415 2.875 ( -0.532 -0.465 0.430) 0.827 2.902 ( 0.911 -3.795 -0.784) 3.981 2.953 ( -0.098 -0.572 1.429) 1.543 2.974 ( 0.102 -2.714 -0.361) 2.740 2.991 ( -0.765 -8.087 -0.749) 8.158 3.019 ( -0.925 -5.465 -1.164) 5.663 3.056 ( -0.782 -7.130 1.042) 7.248 3.087 ( 0.419 -6.568 0.945) 6.649 3.160 ( -2.706 -5.927 -0.169) 6.518 3.207 ( -0.311 -2.632 1.098) 2.869 3.225 ( -0.641 -2.510 1.458) 2.972 3.298 ( 0.814 -0.517 0.395) 1.042 3.380 ( 0.381 -0.203 0.808) 0.916 3.409 ( -0.570 1.170 0.634) 1.447 3.440 ( 1.656 -1.567 -2.199) 3.167 3.474 ( 1.015 -0.165 -1.047) 1.467 3.683 ( -0.712 1.604 0.791) 1.925 3.742 ( 0.489 1.216 -1.284) 1.835 3.820 ( -0.397 1.206 0.905) 1.559 3.854 ( -0.371 1.287 0.223) 1.358 3.856 ( 0.532 1.075 -0.297) 1.236 3.874 ( -0.074 1.370 -0.312) 1.407 3.978 ( -0.084 1.724 0.313) 1.754 3.999 ( 0.207 1.393 0.037) 1.409 4.248 ( -0.063 -0.919 0.155) 0.934 4.254 ( 0.155 -1.044 -0.153) 1.066 4.382 ( -0.160 -0.433 0.087) 0.470 4.392 ( 0.077 -0.210 -0.022) 0.225 4.507 ( -0.119 2.669 0.005) 2.672 4.520 ( 0.087 2.611 -0.043) 2.613 4.625 ( -0.289 4.098 -0.084) 4.109 4.637 ( -0.076 4.125 0.072) 4.126 4.794 ( 0.064 -1.126 0.059) 1.129 4.810 ( 0.368 -0.979 -0.080) 1.049 4.922 ( -0.314 -3.413 0.050) 3.427 4.927 ( -0.243 -3.139 -0.057) 3.149 5.090 ( -0.108 0.596 0.131) 0.620 5.109 ( 0.313 0.198 -0.243) 0.443 5.173 ( 0.082 0.672 0.053) 0.679 5.178 ( 0.185 0.681 -0.041) 0.707 7.372 ( 0.074 0.995 0.048) 0.999 7.377 ( 0.212 0.642 -0.303) 0.741 7.415 ( -0.228 0.473 0.181) 0.556 7.417 ( -0.187 0.744 -0.135) 0.779 7.994 ( -0.225 0.258 -0.045) 0.345 8.018 ( 0.412 0.174 -0.767) 0.887 8.036 ( -0.284 0.678 0.764) 1.060 8.068 ( 0.263 -0.101 0.246) 0.374 8.123 ( -0.386 -0.248 0.048) 0.462 8.143 ( 0.664 0.033 -0.142) 0.680 8.152 ( -0.679 0.861 0.568) 1.235 8.238 ( 1.031 -0.677 -0.596) 1.370 8.377 ( 0.365 0.489 -0.107) 0.619 8.387 ( -0.070 0.100 -0.354) 0.374 8.452 ( -0.349 0.084 0.422) 0.554 8.463 ( -0.362 -0.859 -0.356) 0.998 ======================= Grid point 92 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -8.349 6.323 4.176) 11.275 0.478 ( -0.707 8.092 4.786) 9.428 0.604 ( -0.702 5.852 -2.210) 6.294 0.727 ( 1.922 3.409 1.680) 4.259 0.852 ( -2.384 0.361 -2.049) 3.164 0.903 ( 0.364 1.552 -1.483) 2.178 0.973 ( 0.342 1.394 -0.544) 1.535 1.004 ( 0.249 1.525 -0.557) 1.642 1.028 ( -0.016 -2.487 1.147) 2.739 1.074 ( 0.237 -2.806 -0.549) 2.869 1.210 ( -0.756 11.410 0.644) 11.453 1.238 ( -0.798 7.904 -0.097) 7.945 1.289 ( 0.409 7.600 1.323) 7.725 1.303 ( 0.097 3.952 -1.056) 4.092 1.343 ( 0.188 6.750 -1.159) 6.851 1.380 ( -0.608 -1.149 -0.930) 1.598 1.422 ( -0.659 12.302 2.177) 12.511 1.446 ( -0.796 9.702 1.765) 9.893 1.469 ( 3.013 0.636 -0.193) 3.085 1.500 ( 0.826 1.509 -0.131) 1.725 1.531 ( 0.062 4.257 1.627) 4.558 1.573 ( 0.767 1.667 -2.200) 2.865 1.670 ( 2.117 1.251 -0.763) 2.575 1.723 ( 2.055 -0.293 0.867) 2.250 1.921 ( -0.806 -0.103 0.846) 1.173 1.926 ( -0.405 -0.295 -0.186) 0.535 2.164 ( -0.697 -0.911 1.333) 1.758 2.291 ( -0.604 0.316 -0.864) 1.100 2.311 ( -1.235 0.589 1.217) 1.832 2.382 ( 0.302 0.517 -0.192) 0.629 2.416 ( 0.115 1.693 -1.367) 2.179 2.438 ( -0.933 0.466 -3.938) 4.073 2.502 ( 0.257 2.325 0.988) 2.539 2.535 ( -0.272 1.826 1.557) 2.415 2.548 ( 1.448 0.621 0.411) 1.628 2.609 ( 1.059 0.222 0.340) 1.134 2.620 ( 0.096 0.143 -0.199) 0.263 2.699 ( -0.426 -1.792 -0.611) 1.940 2.746 ( -0.571 -1.262 0.150) 1.393 2.814 ( 2.342 0.716 -2.952) 3.836 2.874 ( -0.733 -0.164 1.583) 1.752 2.931 ( 2.074 0.024 -0.847) 2.240 2.952 ( -1.862 -0.285 1.334) 2.308 3.027 ( -0.785 -3.085 0.083) 3.185 3.080 ( -1.672 -3.313 -1.577) 4.032 3.100 ( -1.208 -4.164 -2.459) 4.985 3.179 ( 0.876 -3.853 2.678) 4.773 3.208 ( 0.380 -4.447 1.203) 4.623 3.269 ( -0.653 -6.482 0.792) 6.563 3.296 ( -0.410 -5.228 -0.096) 5.245 3.303 ( -1.442 -5.874 1.592) 6.254 3.320 ( -0.467 -1.635 2.531) 3.049 3.393 ( 0.233 -0.954 0.765) 1.244 3.398 ( -0.733 -1.099 0.518) 1.419 3.478 ( 1.048 -0.556 -1.437) 1.864 3.481 ( 2.919 -2.043 -1.627) 3.917 3.647 ( -0.775 2.067 0.957) 2.406 3.711 ( 0.378 1.801 -1.428) 2.329 3.793 ( -0.266 1.816 0.914) 2.050 3.825 ( -0.325 1.528 -0.006) 1.562 3.831 ( 0.308 1.864 -0.252) 1.906 3.846 ( -0.116 1.303 -0.392) 1.365 3.945 ( -0.011 1.807 0.501) 1.875 3.968 ( 0.027 1.890 0.157) 1.897 4.268 ( -0.051 -1.175 0.187) 1.191 4.274 ( 0.215 -1.044 -0.197) 1.084 4.391 ( 0.036 -0.443 0.059) 0.448 4.400 ( -0.120 -0.735 0.051) 0.746 4.453 ( -0.086 2.970 0.016) 2.971 4.467 ( -0.152 2.929 -0.118) 2.935 4.548 ( -0.105 4.026 0.057) 4.028 4.563 ( 0.059 3.688 -0.061) 3.689 4.815 ( 0.004 -0.936 0.185) 0.954 4.829 ( 0.208 -1.011 -0.218) 1.055 4.980 ( -0.231 -2.977 -0.020) 2.986 4.983 ( -0.309 -3.025 0.017) 3.041 5.076 ( -0.020 0.941 0.132) 0.950 5.102 ( 0.421 0.642 -0.618) 0.985 5.156 ( 0.098 1.231 0.085) 1.237 5.161 ( 0.170 1.098 -0.051) 1.112 7.353 ( -0.010 1.036 0.087) 1.040 7.365 ( 0.354 0.628 -0.401) 0.825 7.396 ( -0.389 0.966 0.145) 1.051 7.407 ( -0.145 0.608 -0.124) 0.637 7.983 ( -0.013 0.682 -0.849) 1.090 8.011 ( 0.722 0.671 -1.431) 1.738 8.029 ( -0.249 0.279 1.554) 1.599 8.072 ( 0.504 -0.082 0.183) 0.543 8.114 ( -1.571 0.790 -0.269) 1.779 8.141 ( 0.070 0.283 0.945) 0.989 8.150 ( 0.634 -0.268 0.085) 0.694 8.251 ( 0.529 -0.375 -0.756) 0.996 8.368 ( 0.861 0.771 -1.057) 1.566 8.381 ( -0.217 0.221 -0.785) 0.843 8.451 ( -0.211 0.122 0.935) 0.967 8.477 ( -0.401 -0.961 -0.294) 1.082 ======================= Grid point 93 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( -8.085 7.783 5.396) 12.452 0.372 ( -0.230 5.351 13.296) 14.334 0.498 ( 1.442 5.189 -3.076) 6.202 0.675 ( -0.492 23.729 5.646) 24.397 0.698 ( 2.206 3.285 0.298) 3.968 0.774 ( 1.072 15.114 -2.419) 15.344 0.817 ( -1.210 10.500 -0.788) 10.599 0.866 ( -1.472 7.915 -1.318) 8.158 0.877 ( -1.391 11.083 -2.570) 11.462 1.001 ( -1.542 4.119 0.507) 4.427 1.066 ( 2.475 3.747 -1.185) 4.645 1.121 ( -1.475 2.763 -1.428) 3.443 1.187 ( 0.145 -4.441 1.412) 4.662 1.237 ( -1.285 -3.228 -0.257) 3.484 1.316 ( -0.492 -0.523 1.460) 1.627 1.343 ( 2.617 0.278 0.472) 2.674 1.394 ( -2.164 1.341 0.638) 2.625 1.438 ( -0.215 -1.795 -1.207) 2.174 1.458 ( 0.644 -0.489 0.980) 1.270 1.489 ( 0.524 0.974 -0.800) 1.365 1.521 ( 1.529 0.694 0.708) 1.823 1.622 ( 1.012 -3.041 -2.820) 4.269 1.690 ( 2.692 -1.753 0.569) 3.262 1.761 ( 0.762 -1.626 -0.491) 1.862 1.923 ( -1.715 -0.492 0.338) 1.816 1.935 ( -1.883 -0.787 0.337) 2.069 2.190 ( -0.185 -1.295 1.195) 1.772 2.278 ( -0.399 0.454 -1.275) 1.411 2.298 ( -0.568 0.644 1.514) 1.740 2.370 ( -0.357 1.627 -1.168) 2.034 2.376 ( 0.754 1.161 -0.307) 1.418 2.415 ( -0.597 0.686 -3.148) 3.276 2.456 ( 0.108 2.668 0.707) 2.762 2.507 ( -0.425 1.441 0.139) 1.509 2.545 ( 2.851 0.561 1.297) 3.182 2.601 ( 0.302 0.908 0.449) 1.057 2.635 ( -0.077 -1.725 0.115) 1.730 2.715 ( -0.897 -0.335 -2.941) 3.093 2.763 ( -0.293 -0.680 0.074) 0.744 2.787 ( 1.277 1.701 -2.431) 3.229 2.889 ( 1.033 -0.609 2.834) 3.077 2.939 ( 2.918 -0.125 -0.484) 2.961 2.958 ( -2.719 -0.845 1.387) 3.167 3.071 ( -2.074 -1.845 0.909) 2.921 3.111 ( -2.003 -1.919 -2.491) 3.728 3.166 ( 1.790 -3.698 -0.831) 4.192 3.234 ( 1.014 -1.218 2.630) 3.071 3.261 ( -1.904 -0.939 2.567) 3.332 3.313 ( -1.158 -1.517 2.339) 3.019 3.372 ( -1.053 -2.638 1.872) 3.402 3.384 ( 0.097 -4.541 -0.121) 4.544 3.418 ( -0.201 -4.187 -0.289) 4.201 3.432 ( -0.961 -3.719 0.984) 3.965 3.455 ( -0.402 -3.852 -0.184) 3.878 3.496 ( 0.599 -2.084 0.903) 2.349 3.536 ( 3.180 -1.997 -0.770) 3.833 3.610 ( -0.853 1.588 1.425) 2.298 3.676 ( 0.597 1.594 -1.494) 2.265 3.757 ( -0.235 2.008 0.784) 2.168 3.791 ( -0.224 2.023 -0.415) 2.077 3.801 ( 0.050 1.067 0.148) 1.079 3.827 ( -0.232 0.479 -0.661) 0.849 3.920 ( 0.252 0.983 0.632) 1.196 3.939 ( -0.271 0.898 0.654) 1.144 4.288 ( -0.140 -0.909 0.097) 0.925 4.291 ( 0.195 -0.692 -0.142) 0.732 4.402 ( 0.136 -0.676 0.157) 0.708 4.403 ( -0.010 2.020 -0.078) 2.022 4.418 ( -0.277 1.333 -0.093) 1.364 4.421 ( 0.051 -0.825 -0.069) 0.830 4.480 ( -0.007 3.171 0.282) 3.183 4.502 ( 0.062 2.959 -0.258) 2.971 4.828 ( -0.204 -0.479 0.296) 0.598 4.845 ( 0.120 -0.648 -0.364) 0.753 5.028 ( 0.034 -2.145 0.004) 2.146 5.031 ( -0.148 -2.215 -0.008) 2.220 5.057 ( -0.015 0.999 -0.011) 0.999 5.081 ( 0.201 1.883 -1.568) 2.459 5.131 ( 0.160 1.501 0.136) 1.516 5.140 ( -0.002 1.135 -0.101) 1.140 7.337 ( -0.027 0.588 0.169) 0.612 7.356 ( 0.226 0.349 -0.459) 0.620 7.382 ( -0.284 0.372 0.167) 0.497 7.393 ( -0.061 0.724 -0.196) 0.752 7.967 ( 0.270 0.735 -1.373) 1.581 7.985 ( 0.911 2.408 -2.500) 3.589 8.032 ( -0.248 -0.406 1.561) 1.632 8.075 ( 1.554 0.607 -0.105) 1.672 8.091 ( -3.369 0.006 0.787) 3.460 8.140 ( -0.208 0.115 0.400) 0.465 8.155 ( 0.766 0.087 -0.416) 0.876 8.236 ( -1.705 2.406 -3.031) 4.229 8.339 ( -0.727 1.680 -0.760) 1.982 8.385 ( 2.174 -0.398 -0.976) 2.416 8.454 ( 1.111 -0.094 1.626) 1.972 8.491 ( -0.187 -0.693 -0.191) 0.742 ======================= Grid point 95 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.265 ( 9.552 -0.000 5.260) 10.905 0.298 ( 4.496 -0.000 9.323) 10.350 0.488 ( 6.691 -0.000 -3.183) 7.410 0.536 ( -1.233 0.000 4.945) 5.096 0.566 ( 4.116 -0.000 7.612) 8.654 0.645 ( -1.168 0.000 -1.133) 1.627 0.666 ( -0.818 0.000 -1.913) 2.080 0.752 ( -5.818 0.000 -2.577) 6.363 0.786 ( 7.114 -0.000 1.722) 7.320 0.977 ( -0.419 0.000 -2.956) 2.986 1.011 ( -1.407 0.000 2.473) 2.845 1.079 ( -1.391 0.000 -5.643) 5.812 1.258 ( -0.097 0.000 1.732) 1.734 1.263 ( -2.417 0.000 -0.115) 2.419 1.310 ( -0.010 0.000 0.679) 0.679 1.357 ( 3.190 -0.000 -0.404) 3.215 1.422 ( -2.073 0.000 -0.630) 2.167 1.438 ( -0.324 0.000 1.595) 1.627 1.453 ( 0.133 -0.000 1.212) 1.220 1.472 ( 0.241 -0.000 -1.455) 1.475 1.539 ( 1.468 -0.000 1.770) 2.299 1.608 ( -1.403 0.000 -4.504) 4.717 1.744 ( -3.744 0.000 -1.858) 4.179 1.746 ( -0.044 0.000 0.841) 0.842 1.902 ( -0.781 0.000 1.074) 1.328 1.933 ( 1.289 -0.000 0.392) 1.347 2.183 ( -1.907 0.000 0.979) 2.144 2.290 ( 1.571 -0.000 -2.964) 3.355 2.322 ( 0.630 -0.000 3.045) 3.109 2.344 ( 0.721 -0.000 1.075) 1.295 2.367 ( -0.352 0.000 -1.221) 1.270 2.420 ( -0.172 0.000 -2.627) 2.633 2.421 ( 1.702 -0.000 2.759) 3.242 2.459 ( -0.982 0.000 -1.167) 1.526 2.595 ( -0.497 0.000 -0.013) 0.497 2.611 ( 3.445 -0.000 0.556) 3.489 2.614 ( -3.163 0.000 -1.637) 3.561 2.665 ( 0.236 -0.000 -1.731) 1.747 2.762 ( -0.736 0.000 -0.436) 0.856 2.786 ( 1.565 -0.000 -0.255) 1.586 2.938 ( -0.637 0.000 4.757) 4.799 2.948 ( 0.248 -0.000 -1.469) 1.490 2.976 ( 2.077 -0.000 -0.742) 2.206 3.044 ( -1.592 0.000 -2.577) 3.029 3.118 ( -1.865 0.000 2.543) 3.154 3.228 ( -2.594 0.000 -0.144) 2.598 3.255 ( 1.753 -0.000 2.053) 2.700 3.278 ( 1.024 -0.000 1.548) 1.856 3.337 ( -0.426 0.000 0.271) 0.505 3.405 ( 0.915 -0.000 -1.475) 1.736 3.439 ( 0.600 -0.000 -0.059) 0.603 3.451 ( -2.140 0.000 -0.350) 2.168 3.480 ( -0.190 0.000 -0.927) 0.946 3.480 ( -3.228 0.000 0.741) 3.312 3.486 ( -2.484 0.000 0.156) 2.489 3.577 ( 1.442 -0.000 0.567) 1.550 3.617 ( 0.996 -0.000 2.010) 2.243 3.663 ( 0.572 -0.000 -1.180) 1.312 3.740 ( -0.075 0.000 0.893) 0.897 3.758 ( -0.337 0.000 -0.488) 0.593 3.797 ( 0.054 -0.000 0.484) 0.487 3.811 ( -0.742 0.000 -0.836) 1.118 3.919 ( -0.021 0.000 0.730) 0.730 3.931 ( -1.288 0.000 -0.014) 1.288 4.294 ( -0.347 0.000 -0.018) 0.347 4.299 ( 0.152 -0.000 -0.026) 0.154 4.385 ( 0.590 -0.000 0.317) 0.670 4.390 ( -0.043 0.000 -0.356) 0.359 4.436 ( -0.285 0.000 0.133) 0.314 4.437 ( 0.586 -0.000 0.459) 0.745 4.450 ( -0.136 0.000 -0.381) 0.404 4.451 ( -0.089 0.000 -0.372) 0.383 4.833 ( -0.100 0.000 0.361) 0.375 4.851 ( 0.316 -0.000 -0.347) 0.469 5.040 ( 0.291 -0.000 0.190) 0.348 5.044 ( -0.027 0.000 -0.245) 0.247 5.053 ( 0.175 -0.000 0.056) 0.184 5.054 ( -0.235 0.000 -0.113) 0.260 5.119 ( 0.412 -0.000 0.206) 0.461 5.122 ( -0.283 0.000 -0.326) 0.432 7.333 ( -0.113 0.000 0.338) 0.356 7.348 ( -0.203 0.000 -0.529) 0.566 7.378 ( -0.161 0.000 -0.024) 0.163 7.388 ( 0.651 -0.000 -0.116) 0.661 7.921 ( -0.353 0.000 0.145) 0.382 7.960 ( 1.270 -0.000 -1.486) 1.955 8.048 ( -2.208 0.000 0.893) 2.381 8.052 ( -0.528 0.000 0.205) 0.567 8.085 ( 1.732 -0.000 1.146) 2.077 8.137 ( -0.193 0.000 0.615) 0.645 8.152 ( 1.462 -0.000 -1.234) 1.913 8.178 ( 1.488 -0.000 -0.386) 1.537 8.319 ( -1.616 0.000 1.531) 2.226 8.401 ( 1.061 -0.000 -1.476) 1.818 8.493 ( -0.315 0.000 -0.488) 0.581 8.494 ( 1.220 -0.000 -0.191) 1.235 ======================= Grid point 96 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 7.796 -4.763 3.939) 9.949 0.523 ( 2.841 -6.946 8.682) 11.476 0.553 ( 6.938 -3.800 -0.993) 7.972 0.686 ( -3.982 -7.147 -1.692) 8.354 0.737 ( 2.268 -12.273 -4.117) 13.142 0.796 ( 1.783 -12.568 2.989) 13.041 0.815 ( -2.078 -13.331 1.064) 13.533 0.826 ( 0.130 -11.571 -1.501) 11.669 0.854 ( 4.679 -7.014 0.894) 8.478 0.961 ( -1.432 -4.407 -0.570) 4.669 1.043 ( -3.484 -3.156 -0.397) 4.717 1.109 ( 1.404 -7.135 -0.995) 7.340 1.181 ( -0.409 4.553 -0.126) 4.573 1.256 ( 1.039 3.325 0.382) 3.505 1.308 ( -1.276 -1.815 0.391) 2.252 1.372 ( -1.387 1.391 0.484) 2.023 1.399 ( 0.643 1.769 -1.268) 2.270 1.417 ( 0.417 -0.745 1.667) 1.873 1.457 ( -0.550 0.596 0.033) 0.811 1.493 ( 0.786 -0.895 -0.317) 1.233 1.552 ( -0.106 -0.725 0.826) 1.104 1.584 ( -0.882 1.046 -2.806) 3.122 1.701 ( -4.606 1.835 -1.837) 5.288 1.727 ( -1.007 1.439 0.539) 1.837 1.904 ( -0.671 -0.044 0.751) 1.008 1.940 ( 1.924 0.327 0.821) 2.117 2.191 ( -1.068 -1.048 1.340) 2.009 2.264 ( 0.279 1.462 -1.864) 2.385 2.320 ( 0.162 0.829 2.152) 2.312 2.364 ( 0.186 -1.116 -0.461) 1.222 2.385 ( 1.199 -1.363 -0.830) 1.996 2.398 ( 0.723 0.221 -1.659) 1.823 2.467 ( -0.587 -1.905 -0.035) 1.994 2.479 ( 0.130 -2.636 1.055) 2.843 2.588 ( -2.148 -0.390 -1.773) 2.813 2.607 ( -0.829 -0.317 0.100) 0.893 2.628 ( 0.054 -0.346 -0.943) 1.006 2.670 ( 3.245 -0.143 0.531) 3.291 2.757 ( -0.203 -0.008 -0.401) 0.450 2.789 ( 1.008 0.481 -0.721) 1.330 2.922 ( -2.592 1.251 0.341) 2.898 2.944 ( 1.623 1.292 3.251) 3.856 2.981 ( 1.707 0.031 -1.172) 2.071 3.031 ( -0.899 0.171 -2.171) 2.356 3.080 ( -1.240 3.012 1.495) 3.584 3.191 ( -0.262 4.113 -1.328) 4.330 3.243 ( -0.902 1.644 1.919) 2.683 3.284 ( 0.766 0.595 2.073) 2.289 3.320 ( -0.248 1.207 1.782) 2.167 3.371 ( -0.919 1.974 1.535) 2.664 3.385 ( -0.496 4.452 0.635) 4.525 3.408 ( -1.455 4.460 0.339) 4.704 3.419 ( 0.721 2.993 -1.089) 3.265 3.447 ( -0.281 3.081 -0.406) 3.121 3.483 ( -0.908 0.838 -1.065) 1.631 3.583 ( 1.985 2.418 -0.155) 3.132 3.617 ( -0.335 -1.259 1.438) 1.940 3.677 ( 1.221 -1.446 -1.478) 2.401 3.763 ( -0.210 -2.026 0.906) 2.229 3.781 ( -0.158 -2.108 -0.440) 2.159 3.804 ( -0.351 -0.628 0.142) 0.733 3.814 ( -0.079 -1.061 -0.351) 1.120 3.928 ( -0.353 -0.950 0.354) 1.074 3.936 ( -0.170 -1.136 0.350) 1.201 4.282 ( -0.495 0.898 0.063) 1.027 4.294 ( 0.203 0.687 -0.057) 0.719 4.403 ( -0.093 0.032 -0.001) 0.098 4.408 ( 0.246 -1.222 0.098) 1.250 4.414 ( -0.038 -0.480 -0.067) 0.486 4.423 ( 0.569 -0.287 -0.038) 0.638 4.489 ( 0.092 -3.063 0.166) 3.069 4.495 ( -0.233 -3.059 -0.351) 3.088 4.829 ( -0.105 0.510 0.338) 0.621 4.844 ( 0.191 0.758 -0.339) 0.852 5.028 ( -0.103 2.125 -0.069) 2.129 5.033 ( 0.351 2.013 0.051) 2.044 5.054 ( -0.292 -1.200 -0.100) 1.239 5.068 ( 0.016 -1.668 -0.401) 1.715 5.134 ( -0.149 -1.215 0.025) 1.224 5.137 ( -0.091 -1.301 -0.086) 1.307 7.338 ( -0.224 -0.453 0.280) 0.578 7.350 ( -0.121 -0.522 -0.466) 0.710 7.383 ( 0.101 -0.598 0.152) 0.626 7.394 ( 0.451 -0.423 -0.197) 0.649 7.950 ( -0.676 -2.234 -0.956) 2.522 7.971 ( 0.586 -0.900 -1.131) 1.559 8.031 ( -1.255 0.131 1.158) 1.712 8.061 ( -1.049 -0.205 0.882) 1.385 8.104 ( 1.418 -0.298 -0.349) 1.491 8.143 ( 0.410 -0.322 0.108) 0.533 8.177 ( 1.302 -1.712 -0.090) 2.153 8.195 ( 0.289 -1.170 -0.877) 1.490 8.320 ( -1.824 -0.689 0.765) 2.095 8.399 ( 1.307 0.264 -1.509) 2.014 8.469 ( -0.533 1.392 0.432) 1.551 8.499 ( 0.886 0.306 -0.409) 1.022 ======================= Grid point 97 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 5.615 -5.473 2.990) 8.392 0.619 ( 1.687 -0.872 2.326) 3.003 0.665 ( 5.785 -5.811 1.639) 8.362 0.719 ( -0.416 -1.051 -2.548) 2.788 0.807 ( -3.232 -2.406 -4.246) 5.854 0.868 ( 3.041 -1.819 2.054) 4.096 0.971 ( 0.618 -3.870 -0.131) 3.921 0.998 ( 0.313 -2.494 0.108) 2.516 1.030 ( -0.680 4.052 0.938) 4.214 1.062 ( -0.824 -0.995 -1.069) 1.677 1.227 ( 0.073 -12.014 1.351) 12.090 1.242 ( 0.765 -9.234 -1.865) 9.451 1.273 ( 0.511 2.138 0.981) 2.407 1.311 ( -0.833 -1.699 -0.053) 1.893 1.339 ( -0.724 -0.323 -0.193) 0.816 1.360 ( 0.988 -8.748 0.435) 8.814 1.384 ( -2.094 -9.359 1.214) 9.667 1.468 ( -2.499 -7.700 -1.027) 8.160 1.503 ( 1.546 -6.489 1.818) 6.914 1.515 ( 2.069 -5.147 -0.708) 5.592 1.551 ( -0.751 -1.521 -0.648) 1.816 1.594 ( -0.733 -5.036 -0.998) 5.186 1.650 ( -5.329 -1.351 -1.708) 5.756 1.708 ( 0.683 0.629 1.005) 1.368 1.902 ( -0.769 -0.093 0.322) 0.839 1.942 ( 1.300 0.220 0.528) 1.420 2.212 ( 0.328 -0.809 1.793) 1.994 2.235 ( -0.118 1.090 -1.294) 1.696 2.317 ( -0.435 -0.193 1.651) 1.718 2.391 ( 1.410 -0.717 -1.827) 2.417 2.402 ( 0.866 -1.334 -0.087) 1.593 2.407 ( 0.721 -1.078 -1.223) 1.782 2.500 ( -0.297 -1.807 0.582) 1.921 2.527 ( -2.473 -2.074 0.647) 3.291 2.578 ( -1.313 0.099 -1.659) 2.118 2.610 ( -0.561 -0.397 -0.149) 0.703 2.628 ( 0.133 0.038 0.169) 0.218 2.693 ( 3.447 -0.115 0.841) 3.550 2.745 ( -0.046 2.100 0.267) 2.118 2.780 ( 0.129 -0.253 -1.990) 2.010 2.891 ( -2.281 0.911 -0.492) 2.505 2.923 ( 0.673 2.188 3.092) 3.847 2.983 ( 1.235 0.526 -0.389) 1.397 3.016 ( -0.032 0.951 -1.240) 1.564 3.031 ( -0.026 2.171 0.007) 2.171 3.099 ( 1.599 4.772 -0.690) 5.080 3.178 ( -2.106 5.476 0.578) 5.895 3.254 ( -0.558 6.644 1.069) 6.752 3.263 ( 1.146 5.410 -0.259) 5.537 3.287 ( -1.522 5.931 2.651) 6.672 3.300 ( -0.612 3.823 0.810) 3.955 3.341 ( 0.073 1.327 0.694) 1.499 3.371 ( -0.949 1.285 0.287) 1.623 3.414 ( 0.522 0.397 0.125) 0.668 3.469 ( 0.112 0.084 -1.821) 1.827 3.524 ( 0.948 3.590 -1.435) 3.981 3.656 ( -0.023 -2.070 1.115) 2.351 3.710 ( 1.307 -1.696 -1.589) 2.667 3.801 ( -0.525 -1.720 1.070) 2.093 3.816 ( -0.232 -1.709 -0.095) 1.727 3.823 ( -0.266 -1.693 -0.221) 1.728 3.842 ( 0.381 -1.698 -0.118) 1.745 3.954 ( -0.314 -1.813 0.184) 1.849 3.964 ( -0.136 -1.644 0.186) 1.660 4.262 ( -0.428 0.976 0.153) 1.076 4.277 ( 0.168 1.144 -0.131) 1.163 4.392 ( -0.252 0.389 -0.041) 0.465 4.399 ( 0.254 0.736 0.105) 0.785 4.460 ( 0.064 -3.095 -0.085) 3.097 4.465 ( 0.627 -2.546 0.027) 2.622 4.552 ( -0.268 -3.898 -0.219) 3.913 4.560 ( 0.238 -3.933 0.130) 3.942 4.816 ( -0.245 0.861 0.229) 0.924 4.824 ( -0.109 1.231 -0.220) 1.255 4.981 ( 0.198 2.960 0.007) 2.967 4.988 ( 0.549 2.973 -0.001) 3.024 5.076 ( -0.327 -1.175 0.105) 1.224 5.091 ( -0.086 -0.959 -0.290) 1.005 5.156 ( -0.223 -1.170 0.075) 1.193 5.159 ( -0.193 -1.141 -0.081) 1.160 7.349 ( -0.301 -0.821 0.164) 0.890 7.362 ( 0.032 -0.836 -0.353) 0.908 7.401 ( 0.309 -0.970 0.232) 1.044 7.405 ( 0.217 -0.608 -0.170) 0.667 7.977 ( 0.042 -0.853 -0.235) 0.886 7.992 ( 0.022 -1.538 -1.117) 1.901 8.035 ( -0.929 -0.619 1.109) 1.574 8.059 ( -0.929 0.088 0.693) 1.162 8.108 ( 0.569 0.107 -0.209) 0.615 8.151 ( 1.101 -0.219 -0.241) 1.148 8.196 ( 0.197 0.376 1.436) 1.497 8.210 ( -0.826 -0.813 -1.566) 1.948 8.336 ( -1.085 -1.628 -0.029) 1.957 8.398 ( 1.284 0.105 -1.078) 1.679 8.447 ( -0.618 0.804 0.767) 1.272 8.492 ( 0.989 0.779 -0.318) 1.299 ======================= Grid point 98 (38/95) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 4.056 -3.543 2.378) 5.887 0.630 ( -0.158 -0.575 -0.025) 0.597 0.758 ( 2.554 -3.708 -2.171) 4.999 0.793 ( 3.651 -5.303 1.162) 6.542 0.872 ( -3.520 -6.101 -2.050) 7.335 0.914 ( -0.421 -1.834 2.667) 3.264 0.946 ( 0.704 3.943 0.735) 4.072 0.981 ( 1.876 2.501 -0.457) 3.160 1.019 ( 0.575 -0.290 0.320) 0.719 1.072 ( 2.511 -1.092 -0.812) 2.856 1.186 ( -0.516 5.192 1.955) 5.572 1.219 ( -1.099 5.136 -0.793) 5.312 1.237 ( -1.695 4.112 0.074) 4.448 1.292 ( 0.328 4.290 -0.200) 4.307 1.316 ( -2.051 1.164 -1.963) 3.068 1.415 ( -0.730 1.841 0.549) 2.055 1.445 ( -1.975 -0.795 -0.462) 2.178 1.530 ( -2.781 0.058 -0.670) 2.861 1.568 ( -0.534 -1.597 -0.609) 1.791 1.680 ( 2.462 0.075 -1.018) 2.665 1.793 ( -0.362 -11.666 0.296) 11.675 1.823 ( 0.423 -13.671 -0.015) 13.678 1.854 ( 0.060 -19.070 0.971) 19.095 1.865 ( 0.633 -18.923 0.070) 18.934 1.925 ( -0.826 -6.598 1.116) 6.742 1.984 ( -0.077 -7.622 -0.591) 7.646 2.210 ( -0.350 0.545 -1.123) 1.296 2.244 ( 1.470 -1.279 2.311) 3.023 2.333 ( -1.357 -1.725 0.692) 2.301 2.398 ( 1.002 -0.348 -1.590) 1.912 2.422 ( 0.709 -0.801 -0.464) 1.166 2.452 ( 2.299 -2.473 -0.178) 3.382 2.519 ( -2.947 0.167 0.012) 2.951 2.539 ( -0.512 -0.835 0.065) 0.982 2.570 ( 0.483 -0.005 -0.222) 0.532 2.613 ( -0.729 0.315 -0.220) 0.824 2.628 ( -0.212 -0.149 0.476) 0.541 2.693 ( -1.272 1.937 1.572) 2.800 2.706 ( 2.012 0.933 -0.256) 2.233 2.774 ( 1.005 1.289 -2.877) 3.309 2.856 ( -1.195 2.149 -0.012) 2.459 2.888 ( -0.463 3.121 1.332) 3.425 2.945 ( -0.363 4.434 -0.338) 4.462 2.974 ( 0.665 3.915 0.918) 4.076 2.998 ( 1.038 1.394 -0.715) 1.879 3.007 ( -0.505 7.179 -0.096) 7.198 3.067 ( -0.239 5.478 0.913) 5.559 3.113 ( -0.769 5.807 2.420) 6.338 3.132 ( 1.419 4.833 -1.450) 5.241 3.193 ( 0.184 6.062 -0.657) 6.100 3.247 ( -1.333 1.683 2.654) 3.414 3.330 ( 0.439 0.443 -0.694) 0.933 3.357 ( -1.278 0.069 0.549) 1.393 3.419 ( 0.577 -0.268 0.069) 0.640 3.464 ( -0.026 1.320 -1.971) 2.372 3.470 ( 0.717 0.841 -1.000) 1.491 3.691 ( -0.206 -1.372 0.956) 1.685 3.739 ( 1.082 -1.253 -1.477) 2.219 3.826 ( -0.640 -1.001 1.029) 1.572 3.846 ( -0.219 -1.534 0.130) 1.555 3.851 ( 0.052 -1.270 -0.219) 1.290 3.873 ( 0.316 -1.438 -0.176) 1.482 3.987 ( -0.242 -1.714 0.127) 1.735 3.991 ( -0.236 -1.248 0.086) 1.273 4.245 ( -0.215 0.746 0.131) 0.788 4.256 ( 0.120 1.121 -0.121) 1.134 4.387 ( -0.049 0.114 -0.106) 0.163 4.388 ( 0.080 0.585 0.157) 0.611 4.512 ( 0.056 -2.335 -0.137) 2.340 4.517 ( 0.058 -2.758 0.108) 2.761 4.628 ( 0.035 -4.150 -0.148) 4.152 4.638 ( 0.371 -4.174 0.114) 4.192 4.797 ( -0.310 1.008 -0.115) 1.061 4.801 ( -0.185 1.058 0.134) 1.082 4.921 ( 0.167 3.517 0.063) 3.521 4.932 ( 0.427 3.199 -0.058) 3.228 5.093 ( -0.150 -0.758 0.152) 0.788 5.102 ( -0.007 -0.343 -0.185) 0.390 5.173 ( -0.165 -0.752 0.069) 0.773 5.175 ( -0.155 -0.652 -0.067) 0.673 7.365 ( -0.236 -0.935 0.086) 0.968 7.377 ( 0.141 -0.784 -0.195) 0.820 7.412 ( -0.004 -0.326 0.123) 0.348 7.423 ( 0.339 -0.891 -0.073) 0.956 7.987 ( -0.157 -0.417 0.269) 0.520 8.013 ( 0.588 -0.727 -0.786) 1.221 8.048 ( -0.486 -0.696 0.736) 1.124 8.055 ( -0.811 -0.027 0.379) 0.896 8.108 ( -0.014 -0.083 -0.000) 0.084 8.158 ( 1.322 0.027 -0.248) 1.346 8.184 ( -0.869 0.690 0.512) 1.222 8.212 ( -0.459 -0.229 -0.786) 0.939 8.361 ( -0.425 -1.171 0.071) 1.247 8.399 ( 0.722 0.071 -0.448) 0.853 8.438 ( -0.392 0.176 0.450) 0.622 8.479 ( 0.753 0.892 -0.246) 1.193 ======================= Grid point 99 (39/95) ======================= q-point: ( 0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.783 1.323 0.063) 1.539 0.711 ( 0.795 -4.523 2.197) 5.091 0.825 ( -0.669 -2.156 -1.152) 2.535 0.884 ( -0.308 2.960 0.627) 3.041 0.903 ( 2.739 -3.433 0.604) 4.433 0.923 ( 0.655 -1.501 -0.243) 1.656 0.960 ( -1.214 -0.988 1.213) 1.980 0.991 ( -0.712 1.738 -0.830) 2.054 1.012 ( 0.553 -5.632 -0.465) 5.678 1.056 ( 0.950 4.059 0.396) 4.187 1.095 ( -0.985 5.744 1.105) 5.931 1.138 ( -0.468 1.541 0.442) 1.670 1.190 ( -0.080 0.227 -1.368) 1.389 1.204 ( 0.508 3.781 0.702) 3.879 1.280 ( -0.519 0.484 -2.327) 2.433 1.371 ( 1.039 1.459 -0.227) 1.805 1.453 ( -1.631 -0.570 0.445) 1.784 1.516 ( -2.422 -0.495 -0.519) 2.526 1.581 ( -0.707 -0.091 -0.003) 0.712 1.670 ( 2.419 1.261 -1.289) 3.017 1.866 ( 0.107 -0.379 0.222) 0.452 1.882 ( 0.188 -0.336 -0.501) 0.631 2.130 ( 0.537 -4.909 0.906) 5.020 2.150 ( -1.021 -7.272 2.038) 7.621 2.180 ( -1.412 -10.997 0.147) 11.088 2.190 ( 0.384 -9.054 0.370) 9.070 2.244 ( -0.043 -7.025 -1.588) 7.202 2.304 ( 2.079 -3.682 1.084) 4.365 2.389 ( -1.304 -5.412 -0.358) 5.579 2.405 ( 0.902 0.267 -1.560) 1.822 2.449 ( -0.183 -2.391 0.167) 2.404 2.497 ( -1.388 -0.870 0.259) 1.658 2.508 ( 2.832 -1.879 -0.879) 3.511 2.521 ( -1.188 2.289 0.950) 2.748 2.584 ( -0.540 1.371 -0.565) 1.578 2.595 ( 0.997 -0.223 -0.005) 1.021 2.628 ( -0.546 0.698 0.385) 0.966 2.661 ( -2.092 1.179 0.198) 2.409 2.678 ( 0.561 2.718 -0.525) 2.824 2.706 ( 1.502 4.791 -0.820) 5.088 2.772 ( 0.450 7.043 -0.391) 7.068 2.793 ( 0.841 3.398 0.473) 3.532 2.842 ( -1.622 4.440 -1.411) 4.933 2.898 ( -0.266 2.907 2.572) 3.891 2.914 ( -0.446 1.803 0.768) 2.010 2.969 ( 0.518 1.651 -0.890) 1.946 3.002 ( 0.153 1.284 0.235) 1.315 3.046 ( 0.299 1.551 1.148) 1.953 3.090 ( -1.665 2.013 0.166) 2.618 3.144 ( 2.012 -0.561 0.676) 2.196 3.216 ( -1.779 1.233 0.935) 2.358 3.318 ( 0.790 0.948 -1.210) 1.728 3.360 ( -0.654 -0.753 0.311) 1.045 3.417 ( 0.959 0.607 -1.138) 1.607 3.441 ( -0.365 0.233 -0.135) 0.453 3.468 ( 0.547 0.007 -0.976) 1.119 3.708 ( -0.421 -0.337 0.836) 0.995 3.756 ( 0.848 -0.485 -1.325) 1.646 3.838 ( -0.580 -0.288 0.928) 1.132 3.866 ( 0.107 -0.587 -0.310) 0.673 3.869 ( -0.062 -0.626 0.338) 0.714 3.893 ( 0.151 -0.574 -0.243) 0.641 4.006 ( -0.151 -0.400 0.124) 0.445 4.011 ( -0.099 -0.844 0.051) 0.851 4.235 ( -0.044 0.225 0.046) 0.234 4.239 ( 0.029 0.566 -0.048) 0.569 4.379 ( -0.081 0.358 0.205) 0.421 4.386 ( 0.080 -0.078 -0.170) 0.204 4.545 ( -0.095 -1.086 0.019) 1.090 4.555 ( 0.045 -1.185 -0.029) 1.186 4.693 ( 0.031 -2.363 -0.052) 2.364 4.706 ( 0.250 -2.399 0.039) 2.412 4.779 ( -0.158 0.614 -0.103) 0.642 4.789 ( -0.029 0.186 0.140) 0.235 4.862 ( -0.094 2.308 0.133) 2.314 4.880 ( 0.219 2.110 -0.149) 2.127 5.103 ( -0.035 -0.087 0.110) 0.144 5.104 ( 0.026 -0.231 -0.120) 0.262 5.181 ( -0.066 -0.186 -0.034) 0.200 5.183 ( -0.041 -0.324 0.037) 0.328 7.379 ( -0.108 -0.580 0.041) 0.591 7.389 ( 0.147 -0.311 -0.061) 0.350 7.416 ( -0.177 -0.118 0.246) 0.326 7.434 ( 0.273 -0.186 -0.298) 0.445 7.993 ( -0.252 -0.233 0.417) 0.540 8.020 ( 0.472 -0.083 -0.484) 0.682 8.053 ( -0.422 0.062 0.303) 0.523 8.058 ( -0.195 -0.388 0.357) 0.563 8.112 ( -0.177 -0.321 0.171) 0.404 8.154 ( 0.568 0.625 -0.705) 1.101 8.175 ( -0.370 0.228 0.674) 0.802 8.215 ( 0.044 -0.461 -0.646) 0.795 8.375 ( -0.224 -0.517 0.110) 0.574 8.398 ( 0.229 0.262 0.031) 0.349 8.439 ( -0.079 -0.341 -0.027) 0.351 8.466 ( 0.309 0.727 -0.146) 0.804 ======================= Grid point 100 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -1.494 2.926 1.388) 3.567 0.755 ( -1.269 3.399 -1.595) 3.963 0.797 ( -1.047 3.081 0.376) 3.276 0.847 ( -1.037 -0.074 0.848) 1.342 0.907 ( 0.674 1.931 -0.069) 2.047 0.919 ( -1.107 1.185 1.623) 2.295 0.975 ( -0.212 4.000 -2.416) 4.678 0.986 ( 1.125 2.287 1.477) 2.946 1.001 ( -0.364 -1.275 0.638) 1.472 1.018 ( 0.402 -2.129 0.022) 2.167 1.104 ( -0.758 0.123 0.754) 1.076 1.156 ( -0.139 -6.948 -0.567) 6.973 1.175 ( -0.154 -1.973 0.600) 2.068 1.229 ( 0.790 -3.401 -0.590) 3.541 1.304 ( 2.263 -3.032 -1.736) 4.162 1.391 ( 3.048 -2.199 -0.192) 3.763 1.449 ( -1.886 0.203 0.465) 1.954 1.526 ( 0.593 -0.333 0.664) 0.950 1.565 ( -1.717 0.930 0.498) 2.015 1.655 ( 1.652 0.816 -1.227) 2.213 1.865 ( 0.166 0.389 0.092) 0.433 1.884 ( 0.056 0.108 -0.421) 0.438 2.119 ( -0.183 5.556 1.363) 5.724 2.151 ( -1.280 8.420 1.262) 8.609 2.181 ( -1.272 10.332 -1.234) 10.483 2.203 ( 0.775 9.037 0.783) 9.104 2.235 ( -0.444 8.216 -0.201) 8.231 2.303 ( 0.796 3.118 1.484) 3.544 2.362 ( -1.378 3.943 -1.682) 4.503 2.397 ( 1.531 1.726 0.392) 2.340 2.465 ( -0.766 1.965 0.721) 2.229 2.479 ( 0.491 1.206 -1.858) 2.269 2.525 ( -0.255 -0.786 0.615) 1.030 2.548 ( 1.017 -1.022 0.105) 1.446 2.563 ( 0.585 -1.377 -0.351) 1.537 2.607 ( -0.389 -0.108 0.325) 0.518 2.616 ( 0.522 -1.334 0.290) 1.462 2.645 ( -1.358 0.401 -0.109) 1.420 2.689 ( -0.181 -4.235 -1.328) 4.442 2.742 ( 1.845 -6.239 -1.622) 6.705 2.793 ( 0.503 -5.745 -0.466) 5.786 2.810 ( -0.716 -3.731 -0.683) 3.860 2.830 ( 1.168 -8.362 0.249) 8.447 2.892 ( -0.982 -1.464 1.801) 2.520 2.918 ( -0.091 -2.190 0.646) 2.285 2.970 ( -1.288 -2.137 -0.701) 2.592 2.988 ( -0.172 0.258 0.413) 0.516 3.029 ( 0.449 0.571 0.549) 0.911 3.082 ( -1.626 -1.637 0.653) 2.398 3.173 ( 0.650 -1.427 0.051) 1.569 3.201 ( -1.362 -0.339 1.417) 1.994 3.304 ( 0.937 0.510 -0.488) 1.173 3.374 ( -0.139 -0.642 0.330) 0.735 3.417 ( 1.322 -0.641 -1.372) 2.010 3.432 ( -0.409 0.837 0.130) 0.940 3.470 ( 0.649 -0.262 -0.818) 1.077 3.704 ( -0.503 0.726 0.804) 1.194 3.756 ( 0.657 0.436 -1.261) 1.487 3.836 ( -0.479 0.475 0.911) 1.134 3.868 ( 0.011 0.301 -0.194) 0.358 3.871 ( 0.050 0.429 0.160) 0.460 3.892 ( 0.037 0.615 -0.321) 0.694 4.003 ( -0.016 0.784 0.259) 0.826 4.016 ( 0.003 0.341 -0.012) 0.341 4.236 ( -0.082 -0.305 0.071) 0.324 4.239 ( 0.089 -0.513 -0.072) 0.526 4.377 ( -0.131 -0.083 0.214) 0.264 4.389 ( 0.115 -0.174 -0.177) 0.274 4.544 ( -0.030 1.150 0.092) 1.154 4.557 ( 0.065 1.068 -0.103) 1.075 4.690 ( -0.079 2.586 0.023) 2.588 4.703 ( -0.103 2.611 -0.011) 2.613 4.778 ( 0.039 -0.531 0.079) 0.539 4.794 ( 0.071 -0.697 -0.097) 0.707 4.864 ( -0.109 -2.313 0.135) 2.320 4.876 ( 0.014 -1.764 -0.150) 1.771 5.099 ( -0.041 0.358 0.101) 0.374 5.110 ( 0.070 -0.172 -0.141) 0.233 5.181 ( 0.027 0.196 0.031) 0.200 5.185 ( 0.046 0.118 -0.026) 0.129 7.383 ( 0.027 0.134 -0.076) 0.156 7.388 ( 0.036 0.431 -0.090) 0.442 7.417 ( -0.192 -0.001 0.278) 0.338 7.431 ( 0.133 0.563 -0.290) 0.647 7.995 ( -0.282 0.011 0.315) 0.423 8.020 ( 0.293 0.073 -0.545) 0.623 8.048 ( -0.164 0.463 0.477) 0.685 8.065 ( -0.111 -0.324 0.198) 0.396 8.117 ( -0.260 -0.284 0.251) 0.460 8.145 ( 0.317 0.302 -0.726) 0.848 8.169 ( -0.060 0.604 0.891) 1.078 8.226 ( 0.411 -0.777 -0.744) 1.152 8.380 ( 0.043 -0.130 -0.006) 0.137 8.392 ( -0.086 0.390 0.092) 0.410 8.447 ( 0.113 -0.531 -0.272) 0.607 8.456 ( -0.179 0.330 0.061) 0.381 ======================= Grid point 101 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -2.948 3.710 2.840) 5.525 0.624 ( -1.140 7.186 1.062) 7.353 0.714 ( 1.040 6.165 -2.405) 6.699 0.822 ( -0.555 4.680 3.254) 5.727 0.851 ( -0.602 2.573 -3.288) 4.219 0.913 ( -0.798 -3.508 0.710) 3.667 0.936 ( 0.975 0.969 0.797) 1.589 0.988 ( -1.694 -0.039 -0.685) 1.828 1.002 ( 0.092 -1.984 0.504) 2.049 1.057 ( 0.353 0.423 -0.673) 0.870 1.146 ( 0.095 -5.515 1.177) 5.640 1.259 ( -0.189 -4.928 0.185) 4.935 1.273 ( 0.678 -5.101 -0.172) 5.149 1.299 ( -0.297 -3.707 -1.675) 4.079 1.377 ( 3.055 -2.870 -1.223) 4.366 1.420 ( -2.802 1.398 -1.353) 3.411 1.457 ( 4.302 -0.990 1.929) 4.818 1.507 ( -1.473 1.502 2.112) 2.981 1.555 ( 1.589 1.095 1.112) 2.227 1.656 ( 0.245 -0.567 -1.311) 1.449 1.806 ( 1.139 13.544 0.430) 13.599 1.830 ( 0.844 16.675 0.011) 16.696 1.837 ( -1.795 17.773 0.461) 17.869 1.845 ( -0.901 14.555 0.044) 14.583 1.938 ( -1.119 5.551 1.235) 5.796 1.981 ( 0.925 9.874 -0.528) 9.931 2.163 ( 0.178 0.511 2.028) 2.099 2.286 ( -1.491 0.088 -1.380) 2.033 2.322 ( -0.479 0.836 1.104) 1.465 2.393 ( 1.361 0.364 -0.522) 1.502 2.436 ( -0.495 1.003 -0.282) 1.153 2.441 ( -0.300 1.421 -3.069) 3.395 2.535 ( 0.348 0.498 1.154) 1.304 2.557 ( -0.291 0.760 -0.339) 0.882 2.571 ( 1.717 0.331 0.941) 1.986 2.621 ( 1.359 0.109 0.460) 1.439 2.622 ( -0.952 -0.069 0.489) 1.073 2.652 ( -1.394 -1.974 -0.924) 2.587 2.721 ( -0.929 -1.154 0.014) 1.482 2.812 ( 2.463 -1.333 -3.202) 4.254 2.869 ( -0.972 -0.334 0.466) 1.129 2.905 ( 0.578 -4.576 -0.581) 4.649 2.950 ( -1.707 -0.166 1.125) 2.051 2.979 ( 0.005 -7.305 -0.832) 7.352 2.987 ( 1.753 -1.883 -0.347) 2.596 3.002 ( -1.483 -4.455 -0.628) 4.737 3.057 ( -0.150 -8.191 0.966) 8.249 3.096 ( 0.336 -7.715 0.821) 7.765 3.139 ( -1.708 -5.834 -0.219) 6.083 3.207 ( 0.118 -2.520 -0.386) 2.552 3.227 ( -1.262 -2.615 2.705) 3.968 3.309 ( 0.792 -0.550 0.936) 1.344 3.383 ( -0.450 -0.406 0.464) 0.763 3.409 ( -0.324 1.343 0.813) 1.603 3.446 ( 1.956 -1.943 -1.661) 3.219 3.476 ( 0.821 -0.266 -1.022) 1.338 3.682 ( -0.465 1.644 0.881) 1.922 3.739 ( 0.540 1.311 -1.329) 1.943 3.822 ( -0.348 1.145 0.977) 1.545 3.852 ( -0.286 1.329 0.145) 1.367 3.858 ( 0.239 1.065 -0.362) 1.150 3.871 ( -0.052 1.437 -0.425) 1.499 3.980 ( 0.067 1.692 0.513) 1.769 3.999 ( -0.048 1.364 -0.066) 1.367 4.248 ( -0.100 -0.947 0.137) 0.963 4.254 ( 0.136 -1.058 -0.143) 1.076 4.382 ( -0.035 -0.433 0.181) 0.471 4.392 ( -0.020 -0.191 -0.107) 0.220 4.507 ( 0.065 2.697 0.127) 2.701 4.520 ( -0.073 2.681 -0.185) 2.688 4.624 ( 0.095 4.082 0.110) 4.085 4.635 ( -0.210 4.082 -0.090) 4.089 4.795 ( 0.120 -1.140 0.179) 1.161 4.811 ( 0.031 -0.999 -0.228) 1.025 4.920 ( -0.131 -3.356 0.076) 3.359 4.925 ( -0.094 -3.068 -0.084) 3.071 5.091 ( -0.019 0.583 0.217) 0.622 5.109 ( 0.083 0.174 -0.385) 0.431 5.174 ( 0.036 0.651 0.080) 0.657 5.178 ( 0.072 0.649 -0.060) 0.656 7.372 ( -0.091 0.981 -0.056) 0.987 7.377 ( 0.177 0.598 -0.312) 0.697 7.413 ( -0.209 0.586 0.114) 0.632 7.416 ( 0.039 0.754 -0.053) 0.756 7.991 ( -0.229 0.367 -0.088) 0.442 8.017 ( 0.335 0.212 -0.952) 1.031 8.039 ( -0.111 0.530 1.031) 1.164 8.069 ( -0.160 -0.208 0.099) 0.281 8.117 ( -0.675 0.209 -0.122) 0.717 8.143 ( 0.246 -0.029 -0.749) 0.789 8.161 ( 0.574 0.534 1.784) 1.949 8.240 ( 0.286 -0.755 -0.959) 1.253 8.379 ( 0.533 0.327 -0.402) 0.744 8.383 ( -0.433 0.390 -0.213) 0.620 8.451 ( -0.409 0.006 0.333) 0.527 8.460 ( 0.152 -0.734 -0.225) 0.782 ======================= Grid point 102 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -2.382 6.978 4.258) 8.514 0.516 ( 1.535 6.107 7.247) 9.600 0.594 ( 1.931 5.822 -2.895) 6.782 0.759 ( 1.186 2.809 3.207) 4.425 0.817 ( -1.173 0.246 -3.618) 3.812 0.892 ( -0.712 2.145 -2.624) 3.463 0.974 ( 0.291 1.997 -0.416) 2.061 0.996 ( -0.596 1.079 -0.771) 1.454 1.032 ( -0.448 -2.914 1.031) 3.124 1.074 ( 0.229 -2.148 -0.508) 2.219 1.211 ( -0.085 12.646 1.206) 12.704 1.236 ( 0.127 7.024 0.361) 7.034 1.288 ( -0.581 4.553 -1.648) 4.877 1.306 ( 0.743 7.785 0.963) 7.879 1.341 ( 0.377 8.167 -0.413) 8.186 1.368 ( -1.045 -2.525 -0.993) 2.908 1.416 ( -2.629 7.648 1.475) 8.221 1.454 ( 0.758 13.098 1.746) 13.236 1.485 ( 2.091 0.629 -0.805) 2.327 1.516 ( -1.065 7.638 0.741) 7.747 1.545 ( 3.002 1.156 1.737) 3.656 1.570 ( 0.378 -0.175 -1.299) 1.365 1.684 ( 1.448 0.164 0.166) 1.467 1.729 ( -1.159 -0.037 -0.303) 1.198 1.915 ( -1.295 -0.011 0.749) 1.496 1.925 ( 0.323 0.141 -0.299) 0.462 2.175 ( 0.831 -0.746 2.165) 2.436 2.273 ( -1.526 -0.092 -1.780) 2.346 2.309 ( -0.637 0.787 1.249) 1.608 2.386 ( 0.359 0.929 0.184) 1.013 2.406 ( 0.015 1.247 -2.338) 2.649 2.417 ( 0.278 0.808 -2.716) 2.847 2.511 ( 0.454 2.627 0.814) 2.787 2.531 ( -1.308 1.411 0.504) 1.989 2.571 ( 1.671 0.507 1.995) 2.651 2.621 ( 0.227 0.068 0.186) 0.301 2.624 ( 1.892 0.417 0.211) 1.949 2.678 ( -2.620 -1.770 -2.226) 3.867 2.743 ( -0.203 -1.395 0.214) 1.426 2.809 ( 0.458 1.016 -3.476) 3.651 2.882 ( 0.247 -1.049 2.085) 2.347 2.938 ( -2.477 -0.134 0.830) 2.616 2.950 ( 2.561 -0.401 -0.320) 2.611 3.025 ( -0.310 -2.304 0.788) 2.455 3.056 ( -1.165 -2.606 -2.494) 3.791 3.085 ( 0.335 -4.848 -1.642) 5.129 3.196 ( -0.250 -5.497 1.767) 5.779 3.219 ( 0.881 -2.770 1.525) 3.282 3.267 ( -0.769 -7.197 0.618) 7.265 3.289 ( -0.731 -6.991 0.152) 7.031 3.302 ( -0.913 -4.255 1.664) 4.659 3.329 ( -0.301 -1.306 2.095) 2.487 3.388 ( -1.363 -0.980 0.661) 1.804 3.402 ( 0.445 -0.876 0.513) 1.109 3.479 ( 0.649 -0.605 -1.242) 1.526 3.500 ( 2.736 -2.635 -1.069) 3.946 3.647 ( -0.406 2.112 1.063) 2.399 3.708 ( 0.633 1.835 -1.477) 2.439 3.796 ( -0.203 1.792 1.005) 2.064 3.822 ( -0.268 1.646 -0.101) 1.670 3.831 ( 0.022 1.790 -0.235) 1.805 3.842 ( -0.151 1.387 -0.568) 1.507 3.949 ( 0.149 1.760 0.732) 1.912 3.968 ( -0.218 1.869 0.007) 1.881 4.268 ( -0.225 -1.155 0.134) 1.184 4.275 ( 0.194 -1.069 -0.158) 1.098 4.392 ( 0.180 -0.509 0.174) 0.567 4.398 ( -0.222 -0.684 -0.049) 0.720 4.454 ( 0.252 2.949 0.134) 2.963 4.464 ( -0.181 2.989 -0.266) 3.006 4.549 ( 0.263 4.003 0.264) 4.020 4.562 ( -0.168 3.636 -0.213) 3.646 4.816 ( -0.044 -0.863 0.235) 0.896 4.829 ( 0.007 -1.011 -0.288) 1.051 4.980 ( 0.008 -3.020 0.029) 3.020 4.981 ( -0.030 -3.001 -0.030) 3.001 5.077 ( -0.029 0.969 0.222) 0.995 5.100 ( -0.043 0.748 -0.810) 1.103 5.157 ( 0.001 1.191 0.113) 1.196 5.162 ( 0.026 1.115 -0.071) 1.117 7.352 ( -0.146 0.978 0.065) 0.991 7.365 ( 0.176 0.634 -0.445) 0.795 7.395 ( -0.051 1.003 0.213) 1.027 7.405 ( -0.041 0.633 -0.192) 0.663 7.979 ( 0.047 0.729 -0.606) 0.949 8.008 ( 0.380 0.762 -1.782) 1.975 8.034 ( -0.392 0.275 1.462) 1.539 8.071 ( -0.812 -0.154 0.293) 0.877 8.104 ( -0.404 0.774 -0.028) 0.873 8.142 ( 0.359 0.060 -0.524) 0.638 8.165 ( 1.035 0.212 1.729) 2.026 8.244 ( -0.639 0.156 -1.491) 1.630 8.362 ( -0.865 1.298 -0.825) 1.765 8.382 ( 1.229 -0.231 -0.829) 1.500 8.453 ( -0.505 -0.343 0.853) 1.049 8.476 ( 0.543 -0.867 -0.212) 1.045 ======================= Grid point 105 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 9.688 -0.000 0.941) 9.733 0.384 ( 4.553 -0.000 7.645) 8.899 0.542 ( 6.957 -0.000 -2.189) 7.293 0.544 ( 2.525 -0.000 -1.423) 2.898 0.589 ( -4.853 0.000 -0.226) 4.858 0.626 ( -0.612 0.000 -1.937) 2.031 0.677 ( -0.338 0.000 -1.316) 1.359 0.726 ( 1.913 -0.000 9.492) 9.682 0.851 ( 5.779 -0.000 -0.393) 5.793 0.967 ( 2.180 -0.000 -2.182) 3.084 1.010 ( -2.085 0.000 2.972) 3.630 1.037 ( -1.380 0.000 -5.094) 5.277 1.241 ( -1.523 0.000 -0.966) 1.804 1.265 ( 0.320 -0.000 0.922) 0.976 1.308 ( -1.398 0.000 0.827) 1.625 1.359 ( -3.777 0.000 -0.235) 3.785 1.415 ( 2.145 -0.000 -0.389) 2.180 1.440 ( -3.143 0.000 0.938) 3.280 1.444 ( 0.269 -0.000 0.825) 0.868 1.484 ( 2.117 -0.000 -0.490) 2.173 1.558 ( 0.355 -0.000 1.820) 1.854 1.577 ( -0.387 0.000 -3.584) 3.605 1.696 ( -4.373 0.000 -1.947) 4.787 1.731 ( -2.923 0.000 -0.690) 3.003 1.906 ( 0.025 -0.000 1.059) 1.060 1.958 ( 2.687 -0.000 1.267) 2.971 2.176 ( -1.270 0.000 2.155) 2.501 2.280 ( -0.086 0.000 -2.524) 2.525 2.330 ( -0.518 0.000 1.303) 1.402 2.360 ( 0.576 -0.000 1.719) 1.813 2.362 ( 0.610 -0.000 -1.052) 1.216 2.403 ( 0.351 -0.000 -3.018) 3.039 2.453 ( 0.452 -0.000 -1.054) 1.147 2.456 ( 2.393 -0.000 2.865) 3.733 2.560 ( -3.444 0.000 -2.836) 4.461 2.606 ( -0.602 0.000 1.210) 1.351 2.622 ( 0.558 -0.000 -1.139) 1.268 2.683 ( 2.953 -0.000 0.502) 2.995 2.754 ( -0.475 0.000 -0.417) 0.632 2.797 ( 1.011 -0.000 -0.139) 1.021 2.927 ( -1.957 0.000 -1.447) 2.434 2.973 ( 1.994 -0.000 3.963) 4.436 2.981 ( 0.830 -0.000 -2.587) 2.717 3.024 ( -0.751 0.000 -0.433) 0.867 3.118 ( -1.082 0.000 2.312) 2.552 3.198 ( -4.178 0.000 0.562) 4.215 3.276 ( 0.709 -0.000 1.965) 2.089 3.293 ( 0.932 -0.000 0.725) 1.181 3.336 ( -0.507 0.000 0.833) 0.975 3.409 ( 1.541 -0.000 -1.325) 2.032 3.414 ( -4.934 0.000 0.810) 5.000 3.445 ( 0.657 -0.000 0.143) 0.672 3.467 ( 0.202 -0.000 -0.441) 0.485 3.473 ( -0.444 0.000 -0.658) 0.794 3.483 ( 0.147 -0.000 -0.568) 0.587 3.591 ( 0.643 -0.000 1.160) 1.326 3.630 ( 0.066 -0.000 0.648) 0.652 3.663 ( 0.841 -0.000 -1.272) 1.525 3.744 ( -0.031 0.000 0.902) 0.903 3.754 ( -0.202 0.000 -0.267) 0.335 3.800 ( -0.064 0.000 0.544) 0.547 3.800 ( -0.625 0.000 -0.608) 0.872 3.921 ( -0.360 0.000 0.538) 0.647 3.922 ( -0.651 0.000 -0.024) 0.651 4.291 ( -0.354 0.000 0.046) 0.357 4.301 ( 0.132 -0.000 -0.025) 0.135 4.389 ( 0.229 -0.000 -0.278) 0.360 4.394 ( 0.930 -0.000 0.407) 1.015 4.432 ( -0.570 0.000 -0.208) 0.607 4.442 ( 0.078 -0.000 0.311) 0.320 4.446 ( -0.385 0.000 -0.120) 0.403 4.450 ( 0.154 -0.000 -0.346) 0.379 4.834 ( -0.039 0.000 0.365) 0.367 4.852 ( 0.406 -0.000 -0.343) 0.532 5.043 ( 0.009 -0.000 -0.201) 0.201 5.043 ( 0.244 -0.000 0.134) 0.279 5.051 ( -0.180 0.000 0.002) 0.180 5.054 ( 0.086 -0.000 0.017) 0.087 5.118 ( -0.202 0.000 -0.294) 0.357 5.123 ( 0.246 -0.000 0.191) 0.312 7.333 ( -0.223 0.000 0.370) 0.432 7.344 ( -0.110 0.000 -0.439) 0.453 7.378 ( 0.014 -0.000 0.038) 0.041 7.393 ( 0.584 -0.000 -0.124) 0.597 7.920 ( -0.126 0.000 0.364) 0.385 7.964 ( 1.260 -0.000 -1.264) 1.785 8.036 ( -1.684 0.000 0.971) 1.944 8.048 ( -0.617 0.000 0.214) 0.653 8.105 ( 1.535 -0.000 0.501) 1.614 8.140 ( 0.189 -0.000 0.791) 0.813 8.162 ( 1.933 -0.000 -1.171) 2.260 8.191 ( 1.735 -0.000 -0.141) 1.741 8.309 ( -2.195 0.000 1.291) 2.547 8.402 ( 1.132 -0.000 -1.648) 2.000 8.487 ( -0.162 0.000 -0.684) 0.703 8.498 ( -0.110 0.000 -0.126) 0.168 ======================= Grid point 106 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 7.559 -3.750 1.250) 8.530 0.582 ( 0.885 -7.062 4.427) 8.382 0.599 ( 1.601 -2.965 -1.448) 3.668 0.642 ( -0.171 -6.471 -0.051) 6.474 0.731 ( 2.703 -11.863 -6.290) 13.697 0.795 ( -2.994 -14.002 0.799) 14.341 0.814 ( -0.039 -12.959 -0.106) 12.960 0.850 ( 4.505 -7.413 1.787) 8.857 0.898 ( 3.608 -7.869 0.586) 8.677 0.966 ( 1.563 -4.214 3.049) 5.431 1.016 ( -2.009 -2.864 0.239) 3.507 1.110 ( 0.731 -7.585 -1.456) 7.758 1.184 ( 0.961 2.805 -0.127) 2.967 1.255 ( -1.417 1.854 0.181) 2.341 1.303 ( 0.053 -1.420 -0.191) 1.434 1.347 ( -3.638 0.557 -0.380) 3.700 1.401 ( -0.953 2.299 0.418) 2.524 1.420 ( -0.231 0.690 0.749) 1.044 1.459 ( -0.148 -1.470 0.773) 1.667 1.504 ( 1.740 -0.623 -0.339) 1.879 1.542 ( -1.147 0.956 -0.994) 1.793 1.567 ( -0.814 0.793 -1.588) 1.952 1.648 ( -4.592 2.300 -1.886) 5.471 1.715 ( -1.665 0.024 -0.112) 1.669 1.904 ( -0.221 0.392 0.859) 0.970 1.964 ( 1.878 0.794 0.966) 2.256 2.194 ( -0.531 -1.361 2.567) 2.953 2.257 ( 0.475 1.345 -1.564) 2.117 2.329 ( -0.367 0.624 1.589) 1.746 2.364 ( 0.397 -1.361 -0.297) 1.448 2.390 ( 0.291 -1.091 -0.478) 1.226 2.397 ( 1.665 -0.080 -2.099) 2.680 2.464 ( -0.198 -1.581 -0.163) 1.602 2.490 ( 0.690 -1.386 1.367) 2.065 2.549 ( -2.626 -1.037 -2.438) 3.731 2.606 ( -0.720 -0.083 0.565) 0.919 2.625 ( 0.406 -0.310 -0.669) 0.841 2.702 ( 2.604 -0.484 0.739) 2.750 2.755 ( 0.115 -0.412 -0.246) 0.493 2.794 ( 0.845 1.056 -0.833) 1.589 2.896 ( -2.705 1.238 -1.223) 3.216 2.972 ( 1.274 0.909 -0.438) 1.625 2.989 ( 1.123 0.280 1.979) 2.293 3.022 ( 0.475 0.140 0.143) 0.516 3.081 ( -0.592 3.027 1.595) 3.473 3.171 ( -2.894 2.078 0.001) 3.563 3.249 ( 0.685 3.430 0.274) 3.508 3.297 ( -0.388 0.181 2.199) 2.240 3.328 ( -0.090 1.166 1.440) 1.855 3.365 ( -2.221 1.681 1.397) 3.116 3.385 ( 0.181 4.379 0.064) 4.383 3.402 ( -0.191 4.683 0.260) 4.694 3.421 ( 1.156 3.010 -1.330) 3.488 3.442 ( -0.237 2.530 -0.457) 2.582 3.471 ( -0.346 0.878 -1.281) 1.591 3.591 ( 0.249 3.235 -1.076) 3.419 3.621 ( -0.279 -1.779 1.185) 2.156 3.681 ( 1.432 -1.520 -1.492) 2.566 3.765 ( -0.358 -1.881 0.918) 2.123 3.778 ( 0.015 -2.169 -0.256) 2.185 3.800 ( -0.398 -0.559 0.025) 0.686 3.814 ( 0.161 -1.308 0.157) 1.327 3.925 ( -0.343 -0.984 -0.025) 1.043 3.936 ( -0.288 -1.274 0.319) 1.344 4.279 ( -0.413 0.916 0.165) 1.018 4.295 ( 0.150 0.703 -0.099) 0.726 4.402 ( -0.182 0.672 0.006) 0.696 4.410 ( 0.153 -2.002 -0.146) 2.013 4.414 ( 0.143 0.559 0.182) 0.605 4.430 ( 0.906 -1.236 -0.034) 1.533 4.486 ( -0.493 -2.900 -0.277) 2.955 4.493 ( -0.078 -3.293 0.043) 3.294 4.829 ( -0.116 0.594 0.341) 0.695 4.844 ( 0.235 0.890 -0.305) 0.970 5.027 ( -0.022 1.940 -0.006) 1.940 5.036 ( 0.351 1.851 -0.003) 1.884 5.052 ( -0.139 -1.100 -0.017) 1.109 5.067 ( -0.028 -1.426 -0.060) 1.428 5.131 ( -0.212 -1.264 -0.095) 1.286 5.136 ( -0.064 -1.111 0.063) 1.115 7.337 ( -0.285 -0.394 0.296) 0.570 7.348 ( -0.008 -0.567 -0.365) 0.675 7.385 ( 0.139 -0.733 0.173) 0.766 7.398 ( 0.453 -0.307 -0.134) 0.563 7.943 ( -0.254 -2.042 -0.232) 2.070 7.972 ( 0.710 -0.576 -0.667) 1.132 8.026 ( -1.303 -0.050 1.101) 1.706 8.056 ( -0.756 -0.321 0.370) 0.901 8.114 ( 1.096 0.077 -0.312) 1.142 8.149 ( 0.636 -0.422 0.527) 0.927 8.182 ( 0.718 -1.359 -1.205) 1.953 8.203 ( 1.116 -0.252 0.788) 1.389 8.306 ( -1.858 -0.732 0.580) 2.080 8.402 ( 1.186 0.107 -1.610) 2.002 8.467 ( -0.398 1.224 0.372) 1.340 8.502 ( 0.354 -0.026 -0.509) 0.621 ======================= Grid point 107 (45/95) ======================= q-point: ( 0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 4.802 -4.612 0.729) 6.698 0.623 ( -1.289 -0.961 0.038) 1.608 0.708 ( 2.663 -5.317 -2.001) 6.274 0.728 ( -0.040 -3.502 4.911) 6.032 0.767 ( 1.532 -0.228 -5.174) 5.401 0.901 ( 2.146 -1.060 1.711) 2.942 0.981 ( 0.907 -2.877 0.482) 3.055 1.001 ( 0.972 -2.737 -0.083) 2.906 1.029 ( -0.805 0.607 0.702) 1.228 1.045 ( -1.326 -1.724 -1.068) 2.423 1.231 ( 0.571 -5.386 -0.758) 5.469 1.248 ( 1.359 -9.173 0.187) 9.275 1.283 ( -0.451 -0.421 1.435) 1.562 1.303 ( -0.626 1.260 0.249) 1.429 1.336 ( -0.017 -2.224 0.177) 2.232 1.369 ( 0.254 -6.453 0.425) 6.472 1.375 ( -1.044 -9.576 0.582) 9.651 1.443 ( -1.976 -8.487 -0.865) 8.757 1.518 ( 0.419 -4.756 0.713) 4.827 1.528 ( 0.846 -3.743 0.092) 3.839 1.548 ( 0.922 -7.097 -1.580) 7.329 1.564 ( -2.786 -5.165 -2.029) 6.210 1.595 ( -4.779 -2.164 -1.274) 5.399 1.715 ( 0.240 -0.385 -0.174) 0.485 1.899 ( -0.298 0.022 0.585) 0.656 1.954 ( 0.682 0.795 0.223) 1.070 2.221 ( 0.581 -0.410 0.496) 0.867 2.236 ( 0.205 0.380 0.944) 1.038 2.320 ( -0.768 0.278 1.477) 1.688 2.398 ( 2.059 -0.146 -1.887) 2.797 2.409 ( 0.689 -1.088 -0.013) 1.287 2.411 ( 1.030 -2.443 -0.090) 2.653 2.499 ( -3.256 -1.591 0.338) 3.640 2.509 ( 0.923 -1.175 0.451) 1.561 2.560 ( -0.867 -1.094 -1.188) 1.833 2.607 ( -0.200 -0.251 -0.161) 0.359 2.630 ( -0.020 -0.047 0.134) 0.143 2.721 ( 1.831 -0.157 0.632) 1.943 2.742 ( -0.683 3.067 -0.347) 3.161 2.774 ( 0.856 -0.415 -1.788) 2.026 2.869 ( -1.985 0.429 -0.012) 2.031 2.943 ( 0.530 2.843 1.709) 3.359 2.985 ( 0.220 0.410 -0.872) 0.988 3.022 ( 1.519 0.828 1.406) 2.229 3.034 ( 0.612 2.656 0.230) 2.735 3.106 ( 0.551 3.308 -0.161) 3.358 3.164 ( -1.501 5.833 0.400) 6.036 3.252 ( -0.919 7.748 0.575) 7.824 3.264 ( -0.250 6.695 -0.949) 6.767 3.291 ( -1.672 2.450 4.042) 5.014 3.300 ( 0.183 4.742 0.152) 4.748 3.345 ( 0.112 1.406 0.286) 1.439 3.365 ( -0.399 1.965 -0.115) 2.008 3.418 ( 0.466 0.116 -0.072) 0.486 3.460 ( 0.398 -0.079 -2.149) 2.187 3.518 ( 0.069 3.564 -2.192) 4.185 3.661 ( -0.206 -2.009 1.032) 2.268 3.714 ( 1.435 -1.583 -1.598) 2.668 3.801 ( -0.794 -1.675 1.021) 2.116 3.815 ( 0.013 -1.696 -0.007) 1.696 3.821 ( -0.042 -1.761 0.050) 1.762 3.845 ( 0.293 -1.687 -0.013) 1.712 3.952 ( -0.207 -1.858 -0.021) 1.869 3.963 ( -0.300 -1.583 0.166) 1.619 4.260 ( -0.327 0.923 0.237) 1.007 4.278 ( 0.127 1.149 -0.193) 1.172 4.390 ( -0.138 0.359 0.040) 0.387 4.401 ( 0.129 0.679 -0.020) 0.691 4.460 ( 0.138 -3.035 0.028) 3.038 4.470 ( 0.517 -2.255 -0.080) 2.314 4.549 ( -0.135 -4.091 -0.099) 4.094 4.562 ( 0.040 -4.069 0.005) 4.069 4.814 ( -0.239 0.955 0.198) 1.004 4.823 ( -0.061 1.316 -0.157) 1.327 4.983 ( 0.237 2.893 0.082) 2.904 4.992 ( 0.446 2.990 -0.045) 3.023 5.074 ( -0.191 -1.225 0.124) 1.245 5.090 ( -0.098 -0.984 -0.111) 0.995 5.154 ( -0.207 -1.206 0.043) 1.224 5.157 ( -0.164 -1.120 -0.057) 1.133 7.347 ( -0.242 -0.803 0.227) 0.869 7.361 ( 0.091 -0.899 -0.293) 0.950 7.404 ( 0.203 -1.002 0.207) 1.043 7.406 ( 0.251 -0.515 -0.079) 0.578 7.976 ( 0.207 -1.086 -0.203) 1.125 7.989 ( 0.277 -1.487 -0.296) 1.541 8.032 ( -0.972 -0.763 0.971) 1.572 8.054 ( -0.757 0.145 0.395) 0.866 8.111 ( 0.503 0.332 -0.248) 0.652 8.161 ( 1.190 -0.312 0.239) 1.253 8.191 ( -0.766 0.106 -1.389) 1.589 8.206 ( -0.238 0.174 0.770) 0.825 8.330 ( -0.466 -1.903 0.364) 1.993 8.401 ( 0.855 0.059 -1.210) 1.483 8.448 ( -0.305 0.808 0.941) 1.277 8.497 ( 0.599 0.661 -0.494) 1.020 ======================= Grid point 108 (46/95) ======================= q-point: ( 0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.220 -1.554 0.866) 1.793 0.668 ( 2.770 -2.603 2.264) 4.424 0.778 ( 3.603 -1.850 -1.736) 4.406 0.823 ( 1.422 -5.106 1.568) 5.527 0.830 ( -3.086 -7.383 -2.411) 8.357 0.915 ( -1.949 -0.286 1.830) 2.689 0.954 ( 0.662 3.316 0.064) 3.382 0.992 ( 1.061 2.320 -0.695) 2.644 1.028 ( 1.099 -0.235 0.345) 1.176 1.089 ( 1.886 -1.534 -0.791) 2.557 1.183 ( -1.488 3.726 0.934) 4.120 1.205 ( -1.653 5.693 0.290) 5.935 1.236 ( 0.739 4.871 0.609) 4.964 1.290 ( -0.444 3.752 -1.010) 3.911 1.296 ( -0.063 2.299 -1.059) 2.532 1.407 ( -0.808 1.993 -0.994) 2.369 1.431 ( -1.190 -1.448 0.667) 1.989 1.505 ( -1.464 0.195 -0.090) 1.479 1.562 ( -0.446 -1.517 -0.952) 1.846 1.680 ( 0.144 -1.254 -3.000) 3.255 1.793 ( -0.174 -11.611 0.078) 11.613 1.827 ( 0.505 -12.708 -0.471) 12.727 1.858 ( -0.506 -20.802 1.145) 20.840 1.869 ( 0.080 -18.740 0.370) 18.743 1.926 ( -0.305 -6.919 1.026) 7.001 1.980 ( -0.015 -6.731 -0.617) 6.759 2.208 ( 0.861 0.993 -0.296) 1.347 2.261 ( -0.133 -1.928 1.286) 2.321 2.323 ( -1.216 -0.927 0.772) 1.713 2.403 ( 1.500 -0.092 -0.768) 1.688 2.427 ( 0.681 -0.866 -0.065) 1.104 2.473 ( 2.396 -2.868 -0.171) 3.741 2.490 ( -2.505 0.230 -0.242) 2.527 2.548 ( 1.654 -0.658 0.757) 1.935 2.567 ( -0.817 -0.917 -0.214) 1.247 2.605 ( -0.512 0.502 -0.400) 0.821 2.629 ( -0.093 0.009 0.443) 0.453 2.677 ( -2.835 2.356 0.065) 3.687 2.724 ( 1.050 1.003 0.556) 1.556 2.774 ( 2.137 1.141 -2.450) 3.445 2.849 ( -0.532 1.602 0.637) 1.805 2.887 ( -0.886 3.813 0.417) 3.937 2.947 ( 0.468 4.523 0.971) 4.650 2.983 ( 0.151 5.864 0.572) 5.894 2.999 ( 0.256 1.629 -1.084) 1.974 3.006 ( 0.231 6.279 0.434) 6.298 3.069 ( -0.411 4.920 0.892) 5.017 3.117 ( -0.451 6.868 0.567) 6.906 3.138 ( 0.472 2.616 1.231) 2.930 3.195 ( 0.677 5.837 -0.194) 5.879 3.245 ( -1.531 2.476 1.433) 3.245 3.330 ( 0.329 0.496 -0.944) 1.116 3.349 ( -1.049 -0.049 0.527) 1.175 3.424 ( 0.532 -0.248 -0.084) 0.592 3.452 ( -0.040 1.251 -2.310) 2.628 3.469 ( 0.552 0.568 -1.212) 1.448 3.693 ( -0.415 -1.291 0.886) 1.620 3.741 ( 1.118 -1.147 -1.457) 2.165 3.825 ( -0.759 -1.057 0.932) 1.600 3.846 ( -0.000 -1.465 0.028) 1.465 3.851 ( 0.117 -1.356 0.124) 1.367 3.875 ( 0.201 -1.364 -0.130) 1.385 3.986 ( -0.109 -1.744 0.015) 1.748 3.989 ( -0.280 -1.277 0.111) 1.312 4.244 ( -0.144 0.698 0.176) 0.734 4.256 ( 0.081 1.125 -0.165) 1.140 4.386 ( 0.012 0.085 -0.022) 0.088 4.389 ( 0.003 0.630 0.060) 0.632 4.512 ( 0.172 -2.229 -0.077) 2.237 4.517 ( -0.110 -2.706 0.041) 2.709 4.628 ( 0.188 -4.195 0.011) 4.199 4.641 ( 0.088 -4.239 -0.048) 4.241 4.795 ( -0.071 1.063 -0.036) 1.066 4.799 ( -0.233 0.965 0.090) 0.997 4.923 ( 0.155 3.610 0.135) 3.616 4.934 ( 0.234 3.275 -0.115) 3.285 5.093 ( -0.082 -0.805 0.150) 0.823 5.102 ( 0.019 -0.373 -0.123) 0.394 5.172 ( -0.135 -0.780 0.044) 0.792 5.174 ( -0.080 -0.695 -0.046) 0.701 7.364 ( -0.101 -0.943 0.193) 0.967 7.378 ( 0.120 -0.838 -0.201) 0.870 7.413 ( 0.019 -0.245 0.199) 0.316 7.425 ( 0.195 -0.848 -0.121) 0.879 7.988 ( -0.063 -0.372 0.370) 0.528 8.015 ( 0.719 -0.772 -0.591) 1.209 8.046 ( -0.587 -0.796 0.595) 1.154 8.051 ( -0.612 -0.119 0.446) 0.767 8.108 ( 0.056 0.041 0.015) 0.071 8.168 ( 0.797 0.523 -0.557) 1.104 8.177 ( -0.668 0.145 0.124) 0.694 8.206 ( -0.237 -0.249 -0.345) 0.487 8.360 ( -0.099 -1.161 0.352) 1.217 8.401 ( 0.302 0.045 -0.731) 0.792 8.439 ( -0.032 0.282 0.813) 0.861 8.483 ( 0.376 0.930 -0.428) 1.091 ======================= Grid point 109 (47/95) ======================= q-point: (-0.33 -0.78 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 2.338 2.035 1.962) 3.668 0.725 ( -0.483 -3.364 2.225) 4.062 0.813 ( -0.426 -0.693 -1.202) 1.451 0.884 ( -0.752 2.118 1.137) 2.519 0.913 ( 0.242 -0.737 -1.308) 1.521 0.926 ( -0.180 -2.989 -0.863) 3.116 0.953 ( -1.039 -3.289 0.441) 3.477 0.980 ( -0.391 0.714 0.111) 0.822 1.016 ( 0.758 -2.930 -0.624) 3.090 1.060 ( -0.248 3.678 -1.281) 3.903 1.095 ( -0.572 5.677 2.475) 6.220 1.136 ( -0.434 2.258 0.516) 2.356 1.186 ( 0.285 0.800 -1.120) 1.406 1.213 ( 0.598 2.744 0.532) 2.858 1.272 ( 1.178 -0.356 -1.248) 1.752 1.371 ( -0.454 0.269 -2.325) 2.384 1.447 ( 0.242 -0.511 1.823) 1.909 1.511 ( 0.428 -1.106 1.363) 1.807 1.571 ( -0.975 0.017 -0.827) 1.279 1.669 ( -0.115 0.658 -2.816) 2.894 1.866 ( -0.270 -0.413 0.036) 0.495 1.882 ( 0.319 -0.285 -0.505) 0.662 2.144 ( 1.044 -4.775 1.375) 5.078 2.151 ( -1.211 -6.379 1.955) 6.781 2.166 ( -1.356 -9.999 0.347) 10.096 2.199 ( 0.508 -10.189 0.787) 10.232 2.238 ( 0.594 -7.207 -1.397) 7.365 2.324 ( 0.796 -3.948 0.888) 4.124 2.364 ( -1.933 -5.042 -2.206) 5.833 2.408 ( 0.823 -0.262 -1.074) 1.379 2.449 ( 0.113 -1.256 0.317) 1.300 2.488 ( -0.763 -2.320 -0.027) 2.442 2.522 ( -0.051 2.217 1.194) 2.519 2.530 ( 2.285 -0.712 -0.134) 2.397 2.578 ( -0.084 1.929 -0.370) 1.966 2.603 ( 0.864 -1.106 -0.305) 1.436 2.626 ( -0.502 0.797 0.233) 0.970 2.638 ( -2.483 0.748 0.238) 2.604 2.680 ( 0.456 3.385 -0.258) 3.425 2.718 ( 1.752 4.579 -0.651) 4.946 2.774 ( 0.495 7.206 -0.416) 7.235 2.808 ( 1.524 2.107 0.885) 2.747 2.821 ( -1.510 5.180 -0.897) 5.470 2.905 ( -0.623 2.556 1.167) 2.878 2.920 ( 0.165 1.447 2.634) 3.010 2.955 ( -1.618 3.353 -2.335) 4.395 2.998 ( -0.657 0.685 -0.605) 1.126 3.059 ( 0.721 1.238 1.100) 1.806 3.089 ( 0.377 2.775 1.858) 3.360 3.161 ( 1.034 -0.221 0.470) 1.157 3.203 ( -1.881 1.061 0.673) 2.263 3.315 ( 0.278 0.637 -1.678) 1.816 3.359 ( -0.128 -0.893 0.571) 1.068 3.419 ( 0.929 0.719 -1.550) 1.945 3.437 ( -0.457 -0.127 0.059) 0.477 3.468 ( 0.571 -0.058 -0.969) 1.126 3.708 ( -0.485 -0.306 0.817) 0.999 3.757 ( 0.846 -0.407 -1.301) 1.605 3.837 ( -0.613 -0.349 0.878) 1.126 3.865 ( 0.086 -0.606 -0.316) 0.689 3.871 ( -0.028 -0.569 0.415) 0.705 3.893 ( 0.161 -0.510 -0.242) 0.587 4.006 ( -0.116 -0.487 0.172) 0.529 4.011 ( -0.057 -0.870 -0.009) 0.872 4.235 ( -0.023 0.223 0.063) 0.233 4.239 ( 0.014 0.558 -0.065) 0.562 4.379 ( -0.138 0.361 0.170) 0.422 4.386 ( 0.124 -0.075 -0.142) 0.203 4.545 ( 0.053 -1.069 0.117) 1.077 4.555 ( -0.076 -1.222 -0.129) 1.231 4.694 ( 0.177 -2.274 0.109) 2.284 4.707 ( -0.091 -2.348 -0.152) 2.354 4.779 ( 0.154 0.562 0.089) 0.590 4.788 ( -0.220 0.136 -0.032) 0.261 4.863 ( 0.035 2.370 0.263) 2.384 4.880 ( 0.048 2.166 -0.249) 2.181 5.103 ( -0.101 -0.116 0.064) 0.167 5.104 ( 0.113 -0.208 -0.066) 0.246 5.181 ( 0.023 -0.222 0.006) 0.224 5.183 ( -0.067 -0.359 -0.003) 0.366 7.379 ( 0.024 -0.564 0.131) 0.580 7.389 ( 0.028 -0.306 -0.144) 0.339 7.416 ( -0.111 -0.081 0.318) 0.347 7.435 ( 0.177 -0.150 -0.341) 0.412 7.993 ( -0.198 -0.177 0.473) 0.543 8.021 ( 0.370 0.017 -0.531) 0.648 8.053 ( -0.163 -0.060 0.462) 0.494 8.057 ( -0.308 -0.420 0.235) 0.571 8.111 ( -0.113 -0.304 0.232) 0.399 8.153 ( 0.122 0.618 -0.892) 1.092 8.177 ( -0.144 0.134 0.751) 0.776 8.212 ( 0.258 -0.576 -0.656) 0.910 8.375 ( 0.002 -0.504 0.280) 0.576 8.397 ( -0.156 0.218 -0.266) 0.378 8.441 ( 0.295 -0.210 0.309) 0.476 8.466 ( -0.000 0.800 -0.324) 0.863 ======================= Grid point 110 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 1.025 4.165 2.782) 5.113 0.727 ( -2.281 4.219 -2.509) 5.413 0.798 ( 0.544 2.294 0.918) 2.530 0.847 ( 0.181 0.165 0.493) 0.550 0.901 ( -0.475 0.442 -0.821) 1.047 0.930 ( 0.336 2.495 0.048) 2.518 0.950 ( -1.553 3.989 -0.222) 4.286 0.988 ( -0.763 -0.663 0.596) 1.174 1.012 ( 0.559 -0.533 -0.148) 0.786 1.028 ( 1.394 0.544 1.006) 1.803 1.101 ( -0.888 -0.105 0.862) 1.242 1.153 ( -0.260 -7.252 -0.242) 7.261 1.176 ( 0.034 -2.185 0.317) 2.209 1.229 ( 0.055 -2.962 -1.004) 3.128 1.321 ( 2.646 -3.659 -0.308) 4.526 1.378 ( -2.659 -1.958 -2.761) 4.305 1.470 ( 2.391 -0.560 3.083) 3.941 1.545 ( 0.847 0.900 1.521) 1.960 1.553 ( 0.313 -0.822 0.020) 0.879 1.649 ( -0.909 0.463 -2.265) 2.485 1.865 ( -0.238 0.241 -0.035) 0.340 1.883 ( 0.273 0.171 -0.455) 0.558 2.128 ( 0.073 6.957 1.742) 7.172 2.147 ( -1.154 7.837 1.386) 8.042 2.167 ( -0.288 9.804 -1.063) 9.866 2.214 ( 0.352 8.959 0.767) 8.999 2.230 ( -0.062 6.992 -0.093) 6.993 2.306 ( -1.031 5.242 -0.751) 5.395 2.353 ( 0.648 2.779 0.357) 2.876 2.413 ( 1.264 1.830 0.548) 2.291 2.458 ( -0.774 1.566 -0.632) 1.858 2.476 ( 0.809 2.900 -1.187) 3.236 2.525 ( -0.756 -2.308 0.768) 2.547 2.556 ( 1.025 -1.044 -0.440) 1.528 2.568 ( -0.530 -1.572 0.734) 1.814 2.603 ( -0.117 0.896 0.630) 1.102 2.625 ( 1.429 -0.824 -0.054) 1.650 2.634 ( -1.166 -0.619 -0.185) 1.333 2.683 ( 0.371 -3.024 -1.210) 3.278 2.743 ( 0.686 -6.294 -2.676) 6.873 2.783 ( -0.882 -6.633 -0.457) 6.707 2.806 ( -0.496 -5.354 -0.964) 5.462 2.848 ( 2.029 -6.383 1.379) 6.838 2.891 ( -1.388 -1.005 1.704) 2.417 2.919 ( -0.486 -1.510 -0.851) 1.800 2.953 ( -0.918 -3.313 0.310) 3.452 2.982 ( -1.342 0.207 0.264) 1.383 3.050 ( 2.660 1.000 1.386) 3.161 3.074 ( -1.113 -0.982 0.209) 1.499 3.167 ( -1.015 -1.038 -1.563) 2.133 3.205 ( -0.399 -0.858 2.927) 3.077 3.309 ( 0.799 -0.086 -0.627) 1.019 3.374 ( -0.295 -0.524 0.287) 0.666 3.418 ( 0.652 -0.677 -1.559) 1.821 3.432 ( 0.272 0.501 0.529) 0.778 3.471 ( 0.534 -0.304 -0.902) 1.092 3.705 ( -0.402 0.710 0.844) 1.174 3.756 ( 0.692 0.512 -1.282) 1.544 3.837 ( -0.478 0.399 0.930) 1.119 3.867 ( -0.001 0.324 -0.247) 0.407 3.872 ( -0.149 0.478 0.191) 0.536 3.892 ( 0.195 0.686 -0.359) 0.799 4.005 ( 0.027 0.692 0.350) 0.776 4.015 ( -0.120 0.345 -0.086) 0.375 4.236 ( -0.058 -0.310 0.071) 0.324 4.239 ( 0.064 -0.516 -0.072) 0.525 4.377 ( -0.089 -0.109 0.243) 0.281 4.389 ( 0.059 -0.145 -0.209) 0.261 4.545 ( 0.073 1.135 0.192) 1.153 4.556 ( -0.069 1.076 -0.206) 1.098 4.692 ( 0.258 2.603 0.184) 2.622 4.701 ( -0.262 2.644 -0.176) 2.662 4.780 ( 0.214 -0.537 0.240) 0.626 4.793 ( -0.246 -0.740 -0.270) 0.825 4.864 ( -0.010 -2.221 0.222) 2.232 4.875 ( 0.045 -1.766 -0.220) 1.780 5.100 ( 0.032 0.337 0.158) 0.373 5.109 ( -0.029 -0.142 -0.203) 0.249 5.182 ( 0.043 0.182 0.067) 0.198 5.185 ( -0.044 0.093 -0.062) 0.121 7.383 ( 0.071 0.184 -0.029) 0.199 7.387 ( -0.114 0.438 -0.177) 0.486 7.417 ( -0.138 0.049 0.284) 0.319 7.431 ( 0.212 0.548 -0.276) 0.650 7.994 ( -0.273 0.098 0.334) 0.442 8.019 ( 0.257 0.133 -0.643) 0.705 8.050 ( 0.009 0.378 0.630) 0.735 8.064 ( -0.320 -0.341 0.119) 0.483 8.116 ( -0.354 -0.120 0.213) 0.430 8.144 ( 0.476 0.231 -0.707) 0.883 8.174 ( -0.054 0.316 1.097) 1.143 8.224 ( 0.209 -0.744 -0.923) 1.204 8.382 ( 0.198 -0.155 0.148) 0.291 8.390 ( -0.367 0.421 -0.133) 0.574 8.450 ( 0.521 -0.441 -0.015) 0.682 8.453 ( -0.342 0.372 -0.139) 0.524 ======================= Grid point 111 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 1.292 4.454 3.238) 5.656 0.625 ( -0.099 4.542 0.944) 4.640 0.721 ( 3.083 6.371 -1.510) 7.237 0.794 ( -2.641 3.490 -3.181) 5.411 0.868 ( 1.516 4.080 3.358) 5.497 0.913 ( 0.029 -2.997 0.634) 3.063 0.945 ( 0.102 1.751 0.108) 1.757 0.969 ( -1.038 -1.872 -1.522) 2.626 1.007 ( 0.180 -0.646 0.793) 1.038 1.056 ( 0.503 0.100 -0.921) 1.054 1.157 ( 0.521 -5.528 2.000) 5.902 1.252 ( -0.971 -5.359 -0.734) 5.495 1.275 ( -0.896 -4.950 0.022) 5.031 1.287 ( 0.111 -2.992 -1.431) 3.318 1.383 ( -2.437 0.133 -2.131) 3.241 1.399 ( 1.582 -2.361 0.028) 2.842 1.495 ( -2.254 -0.518 1.668) 2.851 1.504 ( 2.311 2.466 2.016) 3.935 1.591 ( 4.383 -0.189 1.858) 4.765 1.637 ( -2.071 -0.243 -2.321) 3.120 1.816 ( 0.564 14.273 0.481) 14.292 1.818 ( -2.332 12.426 0.071) 12.643 1.839 ( 0.655 18.299 0.344) 18.314 1.845 ( 0.960 16.764 -0.007) 16.792 1.933 ( -1.297 5.820 1.246) 6.092 1.986 ( 0.609 9.839 -0.402) 9.866 2.183 ( 1.437 0.458 2.591) 2.998 2.257 ( -2.361 0.088 -1.993) 3.091 2.330 ( 0.307 1.220 1.223) 1.755 2.403 ( 1.341 0.518 -0.372) 1.485 2.422 ( -0.628 1.452 -1.859) 2.442 2.434 ( 0.764 1.507 -1.570) 2.306 2.544 ( -0.898 1.099 0.020) 1.419 2.548 ( 0.291 0.114 1.008) 1.056 2.586 ( -0.961 -0.169 0.874) 1.310 2.615 ( -0.421 -1.036 0.347) 1.171 2.637 ( -0.720 -0.176 -0.424) 0.854 2.640 ( 2.592 -0.366 -0.016) 2.618 2.713 ( -0.692 -1.471 -0.007) 1.626 2.805 ( 0.589 -1.011 -4.224) 4.383 2.866 ( -0.789 -1.051 1.096) 1.711 2.902 ( -0.691 -4.335 -0.528) 4.422 2.944 ( -0.670 -0.541 1.239) 1.509 2.974 ( -0.402 -6.585 -0.503) 6.616 2.988 ( -0.231 -4.042 -0.425) 4.070 3.005 ( 1.674 -2.379 -0.528) 2.957 3.061 ( -0.128 -7.721 0.864) 7.770 3.102 ( -0.204 -7.748 1.367) 7.871 3.128 ( -0.121 -5.846 -1.013) 5.934 3.205 ( 0.266 -3.753 -1.437) 4.027 3.233 ( -1.491 -1.778 4.073) 4.688 3.320 ( 0.771 -0.624 0.577) 1.148 3.377 ( -1.208 -0.169 0.299) 1.256 3.411 ( -0.013 0.886 0.550) 1.043 3.456 ( 1.810 -2.040 -1.038) 2.918 3.477 ( 0.531 -0.386 -1.228) 1.392 3.684 ( -0.235 1.608 0.957) 1.886 3.738 ( 0.717 1.358 -1.396) 2.075 3.824 ( -0.382 1.065 1.037) 1.534 3.850 ( -0.239 1.385 0.107) 1.410 3.856 ( -0.200 1.098 -0.370) 1.176 3.870 ( 0.283 1.523 -0.432) 1.608 3.984 ( 0.072 1.614 0.605) 1.725 3.997 ( -0.256 1.369 -0.170) 1.403 4.247 ( -0.150 -0.915 0.125) 0.936 4.255 ( 0.110 -1.076 -0.131) 1.090 4.383 ( 0.084 -0.479 0.232) 0.539 4.391 ( -0.102 -0.158 -0.158) 0.246 4.509 ( 0.184 2.664 0.209) 2.678 4.518 ( -0.134 2.715 -0.266) 2.731 4.627 ( 0.423 4.087 0.231) 4.115 4.633 ( -0.247 4.059 -0.212) 4.072 4.798 ( 0.076 -1.074 0.273) 1.111 4.808 ( -0.283 -1.067 -0.322) 1.150 4.920 ( -0.039 -3.324 0.070) 3.325 4.925 ( 0.252 -3.087 -0.078) 3.098 5.092 ( -0.001 0.588 0.283) 0.652 5.107 ( -0.087 0.246 -0.449) 0.519 5.174 ( -0.042 0.667 0.097) 0.675 5.178 ( -0.061 0.622 -0.079) 0.630 7.370 ( -0.254 0.968 -0.078) 1.004 7.377 ( 0.157 0.605 -0.285) 0.687 7.412 ( -0.148 0.517 0.077) 0.543 7.417 ( 0.274 0.874 -0.021) 0.917 7.989 ( -0.211 0.427 0.035) 0.478 8.015 ( 0.354 0.324 -1.069) 1.172 8.044 ( -0.152 0.490 1.030) 1.151 8.067 ( -0.600 -0.142 0.141) 0.633 8.111 ( -0.511 0.364 0.030) 0.628 8.143 ( 0.752 0.045 -0.667) 1.006 8.175 ( 0.332 0.024 1.794) 1.825 8.234 ( -0.356 -0.542 -1.268) 1.425 8.375 ( -0.816 0.763 -0.280) 1.152 8.386 ( 0.928 0.093 -0.312) 0.983 8.447 ( -0.771 -0.041 0.207) 0.800 8.464 ( 0.898 -0.730 -0.095) 1.161 ======================= Grid point 115 (50/95) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 2.814 -0.000 -3.682) 4.634 0.454 ( 3.294 -0.000 4.818) 5.837 0.525 ( -1.617 0.000 -6.048) 6.260 0.544 ( -4.237 0.000 -0.954) 4.343 0.572 ( 1.373 -0.000 1.046) 1.726 0.643 ( 6.481 -0.000 -3.645) 7.436 0.672 ( -0.254 0.000 4.639) 4.646 0.817 ( 4.733 -0.000 8.023) 9.315 0.872 ( 2.632 -0.000 -4.519) 5.230 0.998 ( 0.461 -0.000 2.048) 2.099 1.007 ( -1.991 0.000 3.144) 3.722 1.016 ( 6.426 -0.000 -4.982) 8.131 1.227 ( -0.670 0.000 -0.961) 1.171 1.273 ( 0.538 -0.000 0.507) 0.739 1.293 ( -2.895 0.000 0.870) 3.023 1.305 ( -6.841 0.000 -0.593) 6.866 1.414 ( -4.062 0.000 1.412) 4.300 1.431 ( 0.202 -0.000 0.982) 1.002 1.456 ( 2.617 -0.000 -0.989) 2.797 1.492 ( 0.901 -0.000 -1.782) 1.997 1.558 ( -2.100 0.000 0.426) 2.143 1.573 ( 2.397 -0.000 -1.359) 2.756 1.658 ( -2.054 0.000 -0.362) 2.086 1.696 ( -3.177 0.000 -1.464) 3.498 1.914 ( 0.427 -0.000 1.314) 1.381 1.982 ( 1.171 -0.000 0.725) 1.377 2.186 ( -0.264 0.000 4.096) 4.104 2.270 ( 0.419 -0.000 -1.527) 1.584 2.330 ( -0.749 0.000 0.887) 1.161 2.365 ( 0.997 -0.000 -0.649) 1.189 2.368 ( -0.451 0.000 0.827) 0.942 2.396 ( 1.339 -0.000 -2.990) 3.276 2.452 ( 0.664 -0.000 -1.407) 1.556 2.489 ( 1.668 -0.000 1.543) 2.272 2.520 ( -2.146 0.000 -1.630) 2.695 2.602 ( -1.231 0.000 0.783) 1.459 2.622 ( 0.593 -0.000 -0.887) 1.067 2.708 ( 1.758 -0.000 0.679) 1.885 2.750 ( -0.102 0.000 -0.256) 0.276 2.803 ( 0.643 -0.000 -0.413) 0.764 2.894 ( -2.430 0.000 -3.687) 4.416 2.965 ( -0.249 0.000 -3.805) 3.813 3.016 ( 1.981 -0.000 5.273) 5.633 3.031 ( 1.214 -0.000 1.904) 2.258 3.121 ( -0.674 0.000 2.018) 2.128 3.164 ( -4.065 0.000 1.245) 4.251 3.289 ( -0.018 0.000 1.744) 1.744 3.301 ( 0.369 -0.000 0.148) 0.398 3.336 ( -0.789 0.000 1.444) 1.645 3.380 ( -3.054 0.000 -0.246) 3.063 3.417 ( 1.619 -0.000 -1.438) 2.165 3.452 ( 0.573 -0.000 0.443) 0.724 3.465 ( -0.411 0.000 -0.523) 0.666 3.469 ( 0.693 -0.000 -0.503) 0.856 3.481 ( 0.249 -0.000 -0.608) 0.657 3.601 ( -0.004 0.000 1.433) 1.433 3.621 ( -1.393 0.000 -1.609) 2.128 3.665 ( 1.069 -0.000 -1.261) 1.653 3.748 ( -0.224 0.000 0.825) 0.855 3.752 ( -0.008 0.000 0.036) 0.037 3.795 ( -0.061 0.000 -0.140) 0.153 3.801 ( -0.183 0.000 0.543) 0.573 3.918 ( -0.320 0.000 -0.163) 0.359 3.919 ( -0.517 0.000 0.202) 0.555 4.289 ( -0.221 0.000 0.165) 0.276 4.301 ( 0.083 -0.000 -0.047) 0.095 4.391 ( 0.435 -0.000 -0.142) 0.458 4.406 ( 1.056 -0.000 0.445) 1.145 4.424 ( -0.710 0.000 -0.434) 0.832 4.442 ( -0.256 0.000 0.149) 0.296 4.442 ( -0.405 0.000 0.130) 0.425 4.450 ( 0.143 -0.000 -0.313) 0.344 4.836 ( -0.055 0.000 0.368) 0.372 4.854 ( 0.398 -0.000 -0.342) 0.524 5.042 ( 0.053 -0.000 -0.112) 0.123 5.045 ( 0.015 -0.000 -0.007) 0.017 5.051 ( -0.051 0.000 0.143) 0.152 5.055 ( 0.027 -0.000 -0.019) 0.033 5.116 ( 0.042 -0.000 -0.093) 0.102 5.125 ( 0.087 -0.000 0.158) 0.181 7.333 ( -0.294 0.000 0.325) 0.438 7.341 ( 0.059 -0.000 -0.313) 0.318 7.379 ( 0.123 -0.000 0.197) 0.232 7.397 ( 0.429 -0.000 -0.129) 0.448 7.922 ( -0.001 0.000 0.676) 0.676 7.969 ( 1.241 -0.000 -1.075) 1.642 8.027 ( -1.449 0.000 0.897) 1.704 8.044 ( -0.505 0.000 0.166) 0.532 8.118 ( 1.001 -0.000 0.378) 1.070 8.148 ( 0.472 -0.000 1.213) 1.301 8.172 ( 1.727 -0.000 -1.374) 2.207 8.207 ( 1.648 -0.000 0.524) 1.730 8.294 ( -2.416 0.000 0.873) 2.569 8.403 ( 1.226 -0.000 -2.010) 2.355 8.484 ( 0.215 -0.000 -0.644) 0.679 8.493 ( -0.704 0.000 -0.034) 0.704 ======================= Grid point 116 (51/95) ======================= q-point: ( 0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -1.832 -5.792 -4.535) 7.581 0.563 ( 0.167 -2.532 1.229) 2.819 0.615 ( 1.276 -6.489 -2.097) 6.937 0.671 ( 0.950 -8.193 4.288) 9.296 0.726 ( 3.299 -10.063 -6.459) 12.404 0.774 ( -2.095 -14.298 1.307) 14.509 0.815 ( -0.152 -11.788 0.161) 11.790 0.890 ( 3.446 -5.392 0.725) 6.440 0.935 ( 2.942 -7.923 1.165) 8.532 0.999 ( 0.244 -0.792 4.005) 4.090 1.014 ( 0.729 -5.745 1.254) 5.926 1.116 ( 3.111 -6.997 -2.258) 7.983 1.189 ( -0.123 1.069 0.264) 1.108 1.238 ( -1.996 0.642 -0.097) 2.099 1.299 ( -0.830 -1.340 -0.569) 1.675 1.318 ( -1.656 -0.945 0.066) 1.908 1.380 ( -3.988 1.475 1.225) 4.425 1.426 ( 0.770 2.824 -0.477) 2.966 1.456 ( -1.125 -2.088 0.690) 2.471 1.505 ( -0.161 -0.400 -2.050) 2.095 1.534 ( -0.990 0.706 -0.177) 1.229 1.559 ( 2.119 2.307 -1.474) 3.462 1.609 ( -1.985 3.164 -0.883) 3.838 1.700 ( -1.233 -1.009 -0.406) 1.644 1.909 ( 0.277 0.791 1.288) 1.537 1.977 ( 0.076 0.985 0.144) 0.998 2.209 ( -0.007 -1.026 3.812) 3.948 2.259 ( 1.281 1.038 -0.613) 1.759 2.329 ( -1.067 0.432 0.986) 1.515 2.367 ( 0.377 -1.630 -0.130) 1.678 2.387 ( 0.319 -1.043 -1.199) 1.621 2.406 ( 1.942 -0.629 -1.162) 2.349 2.457 ( -1.048 -1.143 -0.194) 1.563 2.495 ( -0.804 -0.635 -1.330) 1.679 2.533 ( 1.191 -1.247 0.606) 1.828 2.601 ( -0.712 -0.213 0.253) 0.785 2.626 ( 0.277 -0.304 -0.463) 0.619 2.721 ( 0.851 -0.489 0.712) 1.213 2.755 ( 0.241 -0.642 -0.307) 0.751 2.793 ( 0.676 1.685 -2.587) 3.160 2.863 ( -2.847 0.347 -1.411) 3.196 2.962 ( 0.075 -0.574 -3.355) 3.404 3.017 ( 0.460 2.138 3.486) 4.115 3.043 ( 2.107 0.153 3.002) 3.670 3.088 ( 0.357 2.640 2.286) 3.510 3.147 ( -2.708 1.301 0.864) 3.126 3.253 ( 0.307 3.987 -0.538) 4.035 3.303 ( -0.855 -0.001 2.130) 2.295 3.332 ( -0.609 1.097 1.360) 1.850 3.348 ( -2.342 1.957 -0.183) 3.057 3.387 ( 0.203 4.468 -0.005) 4.473 3.406 ( 0.279 4.678 0.810) 4.755 3.425 ( 1.207 2.767 -1.398) 3.327 3.439 ( 0.270 2.236 -0.459) 2.298 3.464 ( 0.105 1.144 -1.245) 1.694 3.576 ( -1.112 3.103 -2.775) 4.309 3.625 ( -0.304 -1.875 1.184) 2.238 3.686 ( 1.413 -1.580 -1.481) 2.585 3.766 ( -0.566 -1.724 0.894) 2.022 3.778 ( 0.166 -2.167 -0.122) 2.177 3.799 ( 0.007 -0.609 0.401) 0.729 3.817 ( 0.085 -1.363 0.225) 1.384 3.923 ( -0.123 -1.045 -0.102) 1.057 3.934 ( -0.465 -1.357 0.045) 1.435 4.277 ( -0.214 0.944 0.290) 1.010 4.296 ( 0.063 0.725 -0.181) 0.750 4.400 ( -0.093 0.808 0.066) 0.816 4.409 ( 0.021 -0.992 -0.220) 1.016 4.418 ( 0.257 -0.261 0.301) 0.474 4.437 ( 0.614 -1.553 -0.182) 1.680 4.481 ( -0.248 -2.959 -0.110) 2.971 4.492 ( -0.236 -3.344 -0.046) 3.352 4.830 ( -0.156 0.677 0.332) 0.770 4.845 ( 0.229 0.998 -0.284) 1.062 5.028 ( 0.068 1.776 0.108) 1.781 5.038 ( 0.219 1.687 -0.084) 1.703 5.052 ( 0.075 -0.996 0.133) 1.007 5.066 ( -0.174 -1.305 -0.036) 1.317 5.130 ( -0.020 -1.206 0.008) 1.206 5.136 ( -0.100 -0.981 0.042) 0.987 7.336 ( -0.261 -0.390 0.279) 0.546 7.347 ( 0.139 -0.573 -0.275) 0.651 7.387 ( 0.110 -0.757 0.265) 0.810 7.401 ( 0.306 -0.276 -0.109) 0.426 7.943 ( 0.221 -1.859 0.364) 1.907 7.976 ( 0.790 -0.439 -0.521) 1.043 8.020 ( -1.238 -0.160 1.049) 1.631 8.051 ( -0.587 -0.350 0.026) 0.683 8.120 ( 0.742 0.323 -0.138) 0.821 8.160 ( 0.780 -0.449 1.106) 1.426 8.180 ( 0.534 -0.433 -1.497) 1.647 8.215 ( 0.239 0.312 0.892) 0.975 8.296 ( -0.993 -1.343 0.684) 1.805 8.403 ( 1.053 0.062 -1.888) 2.163 8.466 ( -0.330 1.027 0.545) 1.209 8.501 ( 0.114 -0.314 -0.647) 0.728 ======================= Grid point 117 (52/95) ======================= q-point: (-0.44 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -1.771 -5.014 -2.498) 5.875 0.625 ( -0.074 -3.727 1.606) 4.059 0.696 ( -0.111 -4.039 -3.262) 5.193 0.749 ( 0.749 -2.454 1.533) 2.989 0.786 ( 3.132 -0.722 0.823) 3.318 0.919 ( -0.215 0.296 1.309) 1.359 0.985 ( 0.564 -1.516 -0.686) 1.757 1.004 ( -1.757 -4.209 -0.388) 4.577 1.033 ( 1.296 -1.087 0.688) 1.826 1.035 ( 0.657 -2.153 -0.050) 2.252 1.236 ( 1.556 -1.824 -0.582) 2.467 1.261 ( 0.951 -5.051 0.417) 5.157 1.277 ( -1.855 -2.512 0.897) 3.249 1.307 ( 0.018 -0.106 1.558) 1.562 1.339 ( 0.720 -2.962 -0.330) 3.066 1.366 ( -1.007 -7.272 0.436) 7.354 1.375 ( -0.155 -4.702 0.878) 4.786 1.424 ( -0.741 -12.325 -1.136) 12.399 1.506 ( -2.715 -8.984 -3.141) 9.897 1.525 ( -0.779 -1.604 -1.316) 2.216 1.536 ( 1.505 -5.298 -0.244) 5.513 1.554 ( -1.869 -4.438 0.008) 4.815 1.572 ( 1.625 -3.937 0.053) 4.260 1.707 ( -0.911 -0.910 -1.788) 2.204 1.903 ( 0.148 0.215 1.020) 1.053 1.955 ( -0.351 0.874 -0.347) 1.004 2.231 ( 0.665 -0.271 0.903) 1.153 2.242 ( 0.007 0.775 0.946) 1.223 2.320 ( -0.917 0.212 1.717) 1.958 2.404 ( 1.145 -0.923 -1.298) 1.961 2.416 ( 0.369 -0.323 0.231) 0.542 2.425 ( 2.298 -3.065 -0.125) 3.833 2.474 ( -2.158 -0.978 0.224) 2.379 2.516 ( -0.484 -2.265 0.093) 2.318 2.559 ( 1.867 -0.561 0.314) 1.974 2.605 ( -0.086 -0.235 -0.282) 0.377 2.629 ( -0.426 -0.058 0.057) 0.434 2.717 ( -2.061 2.374 -1.964) 3.707 2.739 ( 0.264 0.939 0.165) 0.989 2.776 ( 1.878 -0.722 -1.890) 2.761 2.858 ( -1.201 -0.249 1.092) 1.642 2.948 ( -0.185 2.687 -0.113) 2.696 2.980 ( -0.823 0.615 -0.016) 1.027 3.043 ( 1.344 2.950 0.404) 3.267 3.055 ( 2.543 1.842 3.127) 4.432 3.108 ( -0.272 1.736 0.593) 1.855 3.156 ( -0.676 6.292 0.137) 6.330 3.238 ( -1.973 6.924 -0.702) 7.234 3.260 ( -0.340 7.392 0.884) 7.452 3.294 ( -1.043 2.390 1.731) 3.129 3.305 ( -0.081 4.434 1.329) 4.630 3.344 ( -0.598 1.250 -0.004) 1.386 3.364 ( 0.342 2.973 -0.248) 3.002 3.420 ( -0.010 -0.037 -0.224) 0.227 3.454 ( 0.968 -0.028 -2.354) 2.545 3.504 ( -0.054 3.081 -2.879) 4.217 3.663 ( -0.567 -1.952 0.935) 2.237 3.718 ( 1.324 -1.497 -1.584) 2.550 3.798 ( -0.929 -1.649 0.920) 2.104 3.817 ( 0.330 -1.735 -0.067) 1.768 3.823 ( 0.045 -1.681 0.515) 1.758 3.847 ( 0.127 -1.660 -0.042) 1.665 3.951 ( 0.011 -1.860 0.054) 1.861 3.960 ( -0.384 -1.632 -0.041) 1.677 4.259 ( -0.141 0.919 0.325) 0.985 4.277 ( 0.058 1.134 -0.275) 1.168 4.390 ( 0.005 0.343 0.157) 0.377 4.401 ( -0.013 0.626 -0.160) 0.646 4.462 ( 0.023 -2.922 0.153) 2.926 4.473 ( 0.213 -2.103 -0.224) 2.126 4.549 ( 0.129 -4.235 0.088) 4.238 4.561 ( -0.117 -4.163 -0.144) 4.167 4.814 ( -0.174 0.998 0.200) 1.032 4.822 ( 0.056 1.379 -0.143) 1.387 4.985 ( 0.130 2.874 0.166) 2.882 4.995 ( 0.170 3.009 -0.098) 3.015 5.074 ( 0.033 -1.193 0.250) 1.220 5.088 ( -0.063 -1.040 -0.146) 1.052 5.153 ( -0.094 -1.194 0.045) 1.199 5.156 ( -0.047 -1.125 -0.056) 1.128 7.347 ( -0.126 -0.833 0.271) 0.885 7.361 ( 0.164 -0.906 -0.266) 0.959 7.406 ( -0.000 -1.009 0.174) 1.024 7.408 ( 0.190 -0.452 0.007) 0.491 7.979 ( 0.567 -0.980 0.035) 1.133 7.992 ( 0.522 -1.535 0.001) 1.622 8.028 ( -0.945 -0.862 0.827) 1.523 8.050 ( -0.587 0.099 0.237) 0.641 8.114 ( 0.368 0.477 -0.098) 0.610 8.173 ( 0.625 -0.286 0.803) 1.057 8.177 ( -0.561 0.338 -1.621) 1.748 8.205 ( -0.200 0.382 0.092) 0.441 8.332 ( 0.151 -1.934 0.886) 2.133 8.401 ( 0.610 0.086 -1.422) 1.550 8.451 ( -0.300 0.682 1.132) 1.355 8.498 ( 0.246 0.572 -0.686) 0.926 ======================= Grid point 118 (53/95) ======================= q-point: (-0.33 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 0.654 -3.368 2.277) 4.118 0.690 ( -0.711 -2.132 2.337) 3.242 0.786 ( -1.808 -6.369 -3.482) 7.480 0.797 ( 1.133 -2.485 -2.079) 3.432 0.843 ( 1.021 -4.178 2.487) 4.968 0.903 ( -2.129 -0.103 1.262) 2.477 0.958 ( 0.211 3.006 -0.271) 3.025 0.992 ( 0.123 2.226 -1.256) 2.559 1.039 ( 0.364 -0.402 0.802) 0.968 1.091 ( -0.239 -0.681 -1.211) 1.410 1.174 ( -1.611 4.354 1.000) 4.749 1.199 ( -0.167 4.740 0.423) 4.762 1.248 ( 1.177 4.747 0.333) 4.902 1.284 ( 0.276 3.753 -0.809) 3.849 1.298 ( 1.221 2.434 -0.437) 2.758 1.391 ( -0.658 2.233 -2.099) 3.135 1.435 ( 0.601 -1.744 1.620) 2.455 1.509 ( 1.890 -0.051 0.722) 2.023 1.550 ( -0.808 -1.470 -1.222) 2.076 1.655 ( -1.382 -1.543 -4.077) 4.573 1.789 ( -0.608 -11.485 0.063) 11.501 1.825 ( 0.369 -13.340 -1.232) 13.402 1.857 ( -0.930 -21.837 1.186) 21.889 1.872 ( -0.223 -17.815 0.699) 17.830 1.930 ( -0.056 -7.190 1.044) 7.266 1.978 ( 0.171 -6.516 -0.682) 6.554 2.222 ( 1.790 1.195 0.606) 2.236 2.250 ( -2.718 -1.596 -0.308) 3.167 2.325 ( 0.044 -0.586 1.678) 1.777 2.410 ( 0.600 0.253 -0.821) 1.048 2.431 ( 0.363 -1.082 0.033) 1.141 2.472 ( -0.050 -0.645 -0.972) 1.167 2.499 ( 2.192 -2.430 1.195) 3.484 2.556 ( -1.578 -1.277 0.201) 2.040 2.572 ( 2.268 -0.190 1.026) 2.497 2.600 ( -0.061 0.496 -0.530) 0.728 2.627 ( -1.694 0.079 0.000) 1.696 2.652 ( -1.046 2.040 -0.864) 2.450 2.729 ( -0.405 1.074 0.538) 1.268 2.783 ( 2.534 0.996 -2.524) 3.713 2.853 ( 0.127 1.083 1.321) 1.713 2.881 ( -0.752 4.159 0.546) 4.262 2.956 ( -0.022 3.479 0.780) 3.566 2.985 ( -0.061 9.141 0.842) 9.180 2.995 ( 0.226 1.257 -1.400) 1.895 3.014 ( 0.680 6.021 0.862) 6.120 3.068 ( -0.834 5.630 0.674) 5.731 3.110 ( -0.829 5.539 -0.581) 5.631 3.155 ( 0.587 2.196 3.064) 3.815 3.202 ( 0.770 5.027 0.247) 5.091 3.235 ( -1.950 3.415 0.748) 4.003 3.322 ( -0.570 0.753 -1.919) 2.139 3.349 ( 0.071 -0.318 1.078) 1.126 3.426 ( -0.346 -0.574 0.016) 0.670 3.441 ( 0.786 1.433 -2.606) 3.076 3.468 ( 0.704 0.247 -1.370) 1.560 3.693 ( -0.667 -1.301 0.798) 1.666 3.743 ( 1.016 -1.070 -1.400) 2.034 3.822 ( -0.770 -1.135 0.853) 1.615 3.847 ( 0.247 -1.324 -0.121) 1.353 3.854 ( 0.012 -1.365 0.482) 1.447 3.875 ( 0.136 -1.352 -0.185) 1.371 3.985 ( -0.346 -1.628 0.114) 1.668 3.988 ( 0.158 -1.457 -0.020) 1.466 4.244 ( -0.038 0.702 0.220) 0.737 4.255 ( 0.028 1.108 -0.210) 1.128 4.387 ( 0.075 0.151 0.060) 0.179 4.389 ( -0.104 0.568 -0.028) 0.578 4.514 ( 0.155 -2.165 0.019) 2.170 4.515 ( -0.155 -2.717 -0.059) 2.722 4.631 ( 0.227 -4.217 0.154) 4.226 4.639 ( -0.209 -4.245 -0.189) 4.255 4.796 ( 0.093 0.917 0.079) 0.925 4.798 ( -0.074 1.090 -0.012) 1.093 4.925 ( 0.028 3.618 0.200) 3.624 4.935 ( -0.015 3.336 -0.171) 3.341 5.093 ( -0.084 -0.747 0.187) 0.775 5.101 ( 0.154 -0.426 -0.138) 0.474 5.171 ( -0.059 -0.802 0.031) 0.804 5.173 ( 0.054 -0.704 -0.034) 0.707 7.365 ( 0.048 -0.963 0.263) 0.999 7.377 ( 0.109 -0.831 -0.236) 0.871 7.414 ( -0.013 -0.214 0.262) 0.338 7.425 ( 0.001 -0.810 -0.169) 0.827 7.990 ( 0.027 -0.284 0.494) 0.570 8.018 ( 0.664 -0.581 -0.694) 1.123 8.043 ( -0.635 -0.848 0.458) 1.154 8.050 ( -0.173 -0.312 0.629) 0.723 8.109 ( 0.118 0.102 0.245) 0.290 8.161 ( -0.466 0.562 -1.365) 1.548 8.178 ( -0.444 -0.067 0.688) 0.821 8.206 ( 0.849 -0.206 -0.420) 0.969 8.362 ( 0.140 -1.031 0.578) 1.190 8.398 ( 0.090 0.080 -0.887) 0.895 8.444 ( 0.039 0.260 0.998) 1.032 8.482 ( -0.017 0.943 -0.602) 1.119 ======================= Grid point 119 (54/95) ======================= q-point: (-0.22 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -0.515 2.400 2.393) 3.428 0.729 ( 0.041 -2.859 2.227) 3.624 0.809 ( 0.681 0.293 -0.639) 0.979 0.878 ( -1.918 0.923 1.035) 2.366 0.898 ( -0.844 -5.249 -2.943) 6.077 0.916 ( -0.147 1.499 -0.634) 1.634 0.951 ( -0.522 -2.803 1.093) 3.054 0.985 ( 0.798 -0.745 0.526) 1.212 1.015 ( 0.015 -0.995 -1.069) 1.460 1.042 ( -1.236 3.128 -1.882) 3.854 1.108 ( -0.193 2.878 2.704) 3.954 1.139 ( 0.154 3.775 1.380) 4.023 1.180 ( -0.288 1.593 -1.221) 2.028 1.219 ( 0.453 2.258 -0.139) 2.307 1.287 ( 2.580 -0.678 0.056) 2.668 1.343 ( -1.450 0.734 -3.356) 3.729 1.470 ( 0.772 -0.979 2.452) 2.751 1.535 ( 3.452 -1.308 1.265) 3.902 1.559 ( -0.513 -0.148 -0.643) 0.836 1.642 ( -2.103 0.189 -3.540) 4.122 1.862 ( -0.414 -0.549 -0.039) 0.689 1.883 ( 0.503 -0.212 -0.493) 0.736 2.141 ( -1.827 -6.986 0.478) 7.237 2.160 ( -0.954 -5.334 2.990) 6.189 2.168 ( 1.371 -8.633 0.094) 8.742 2.206 ( -0.228 -11.082 1.339) 11.165 2.241 ( 1.423 -5.291 -0.890) 5.551 2.309 ( -2.859 -7.496 -2.017) 8.273 2.357 ( 1.145 -2.549 0.455) 2.831 2.405 ( 0.261 -0.490 -1.874) 1.955 2.455 ( 0.533 -0.957 0.635) 1.266 2.482 ( -0.418 -1.482 -0.144) 1.547 2.529 ( 0.228 1.836 1.002) 2.104 2.546 ( 1.347 -0.176 -0.174) 1.370 2.578 ( -0.244 1.545 -0.268) 1.587 2.604 ( -1.890 0.928 -1.013) 2.336 2.606 ( -0.622 -1.267 0.764) 1.605 2.645 ( 1.792 0.142 1.216) 2.170 2.684 ( 0.930 2.877 -0.413) 3.051 2.724 ( 0.972 4.859 -2.168) 5.408 2.778 ( 0.782 7.112 0.261) 7.160 2.798 ( -1.508 5.525 -0.993) 5.812 2.837 ( 2.078 2.462 2.522) 4.092 2.904 ( -0.950 1.982 0.758) 2.325 2.922 ( -2.167 4.427 -2.509) 5.531 2.938 ( 0.692 1.594 2.211) 2.812 2.989 ( -1.080 0.709 0.408) 1.355 3.063 ( -0.309 0.804 -0.450) 0.972 3.112 ( 1.809 3.012 2.209) 4.150 3.159 ( -1.777 1.327 -0.552) 2.285 3.199 ( -0.403 -0.286 1.934) 1.996 3.306 ( 0.140 0.030 -2.130) 2.135 3.363 ( 0.265 -0.674 0.696) 1.004 3.417 ( 0.565 0.700 -1.727) 1.947 3.435 ( -0.110 -0.398 0.238) 0.477 3.468 ( 0.607 -0.065 -1.044) 1.209 3.708 ( -0.560 -0.380 0.783) 1.035 3.757 ( 0.802 -0.344 -1.271) 1.541 3.836 ( -0.597 -0.430 0.857) 1.130 3.864 ( 0.213 -0.533 -0.330) 0.662 3.872 ( -0.219 -0.489 0.500) 0.733 3.894 ( 0.234 -0.496 -0.290) 0.621 4.005 ( -0.247 -0.678 0.154) 0.738 4.011 ( 0.162 -0.722 0.009) 0.740 4.236 ( 0.008 0.252 0.076) 0.263 4.239 ( -0.004 0.524 -0.078) 0.530 4.379 ( -0.180 0.303 0.150) 0.382 4.387 ( 0.146 -0.015 -0.122) 0.191 4.546 ( 0.073 -1.061 0.174) 1.077 4.553 ( -0.047 -1.236 -0.186) 1.251 4.697 ( 0.238 -2.279 0.224) 2.302 4.703 ( -0.369 -2.327 -0.265) 2.371 4.782 ( 0.359 0.535 0.197) 0.674 4.785 ( -0.278 0.194 -0.141) 0.367 4.865 ( 0.027 2.349 0.329) 2.372 4.879 ( -0.045 2.168 -0.315) 2.191 5.102 ( -0.169 -0.252 0.024) 0.305 5.106 ( 0.201 -0.048 -0.025) 0.208 5.182 ( 0.106 -0.234 0.034) 0.259 5.182 ( -0.067 -0.349 -0.031) 0.357 7.381 ( 0.140 -0.525 0.184) 0.574 7.388 ( -0.054 -0.247 -0.195) 0.320 7.417 ( -0.096 -0.059 0.349) 0.366 7.434 ( 0.089 -0.194 -0.372) 0.429 7.995 ( -0.175 -0.085 0.539) 0.574 8.021 ( 0.268 0.068 -0.629) 0.687 8.054 ( -0.355 -0.439 0.408) 0.696 8.056 ( 0.042 -0.079 0.297) 0.310 8.112 ( -0.026 -0.183 0.404) 0.445 8.149 ( 0.162 0.274 -0.997) 1.047 8.178 ( -0.691 -0.016 0.666) 0.960 8.214 ( 0.815 -0.332 -0.617) 1.075 8.377 ( 0.157 -0.476 0.415) 0.651 8.393 ( -0.305 0.202 -0.393) 0.537 8.446 ( 0.408 -0.157 0.460) 0.635 8.463 ( -0.267 0.813 -0.481) 0.982 ======================= Grid point 120 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 1.152 3.459 2.518) 4.431 0.696 ( -1.411 4.430 -1.936) 5.037 0.816 ( 1.864 2.025 1.604) 3.185 0.853 ( 1.076 1.238 -0.543) 1.728 0.891 ( -0.776 1.562 -0.897) 1.961 0.919 ( 0.380 0.354 -1.956) 2.023 0.956 ( -0.869 2.759 3.309) 4.395 0.988 ( 0.263 -1.047 0.108) 1.085 1.012 ( 0.221 -0.110 -0.722) 0.764 1.042 ( 0.697 1.313 0.493) 1.566 1.099 ( -0.871 -1.661 1.235) 2.246 1.147 ( -0.776 -5.017 -0.151) 5.079 1.182 ( 0.562 -3.253 0.898) 3.421 1.220 ( -0.584 -2.393 -1.487) 2.877 1.338 ( -2.646 -1.800 -2.794) 4.248 1.344 ( 2.076 -3.570 0.469) 4.156 1.483 ( -2.135 -0.159 1.288) 2.499 1.550 ( 0.916 1.058 0.674) 1.554 1.590 ( 4.760 -1.956 1.577) 5.382 1.619 ( -2.607 0.232 -2.617) 3.701 1.863 ( -0.185 0.307 0.057) 0.363 1.883 ( 0.332 0.206 -0.520) 0.651 2.131 ( -0.827 7.852 0.554) 7.915 2.147 ( -1.119 6.988 2.256) 7.428 2.167 ( 1.068 9.814 -0.278) 9.876 2.210 ( -1.128 9.090 -0.162) 9.161 2.242 ( 1.664 5.077 1.009) 5.437 2.286 ( -1.082 6.796 -1.973) 7.159 2.369 ( 1.196 2.471 1.620) 3.187 2.421 ( 0.372 1.270 -0.579) 1.445 2.449 ( -0.179 2.297 -0.532) 2.365 2.480 ( 1.313 3.126 -1.029) 3.544 2.519 ( -1.169 -2.775 0.443) 3.043 2.554 ( -2.532 -1.018 0.362) 2.753 2.566 ( 1.208 -0.182 0.316) 1.262 2.609 ( -0.171 0.198 -0.057) 0.267 2.625 ( -0.333 -1.419 0.440) 1.523 2.642 ( 2.168 -0.608 0.472) 2.300 2.681 ( 0.523 -1.739 -1.113) 2.130 2.727 ( -0.248 -5.766 -3.528) 6.764 2.776 ( -0.872 -6.432 0.246) 6.496 2.793 ( -0.684 -6.686 -0.731) 6.761 2.878 ( 2.319 -4.539 1.722) 5.380 2.885 ( -1.869 -1.879 1.301) 2.953 2.899 ( -1.245 -2.643 -1.629) 3.345 2.961 ( 1.337 -1.882 -0.199) 2.317 2.976 ( -1.299 -0.326 2.746) 3.055 3.061 ( -0.740 -1.177 -1.308) 1.909 3.084 ( 2.583 1.503 1.828) 3.503 3.144 ( -1.949 -1.453 -1.723) 2.979 3.217 ( -0.553 -0.912 2.868) 3.060 3.312 ( 0.919 -0.695 -0.966) 1.503 3.372 ( -0.608 -0.070 0.200) 0.643 3.416 ( 0.455 -0.505 -1.167) 1.350 3.439 ( 0.482 -0.135 0.347) 0.609 3.470 ( 0.441 -0.246 -1.061) 1.175 3.706 ( -0.354 0.606 0.856) 1.107 3.755 ( 0.752 0.553 -1.308) 1.607 3.837 ( -0.489 0.323 0.954) 1.120 3.866 ( 0.116 0.347 -0.337) 0.498 3.871 ( -0.363 0.613 0.305) 0.775 3.892 ( 0.307 0.695 -0.363) 0.842 4.007 ( -0.049 0.555 0.359) 0.663 4.013 ( -0.147 0.476 -0.115) 0.512 4.235 ( -0.034 -0.299 0.059) 0.307 4.239 ( 0.035 -0.522 -0.060) 0.527 4.378 ( -0.047 -0.186 0.254) 0.318 4.388 ( 0.016 -0.075 -0.218) 0.231 4.547 ( -0.030 1.112 0.162) 1.124 4.554 ( 0.011 1.114 -0.173) 1.127 4.696 ( 0.440 2.537 0.230) 2.585 4.697 ( -0.243 2.604 -0.218) 2.624 4.783 ( 0.250 -0.471 0.314) 0.619 4.788 ( -0.404 -0.712 -0.331) 0.883 4.865 ( -0.162 -2.136 0.152) 2.148 4.876 ( 0.270 -1.897 -0.167) 1.923 5.101 ( 0.062 0.297 0.188) 0.357 5.107 ( -0.080 -0.063 -0.227) 0.249 5.183 ( 0.032 0.210 0.083) 0.228 5.184 ( -0.108 0.100 -0.079) 0.167 7.383 ( -0.186 0.480 -0.089) 0.523 7.386 ( 0.131 0.243 -0.065) 0.283 7.417 ( -0.167 0.118 0.239) 0.315 7.432 ( 0.300 0.431 -0.263) 0.588 7.994 ( -0.279 0.184 0.386) 0.511 8.018 ( 0.330 0.158 -0.663) 0.757 8.054 ( 0.014 0.346 0.638) 0.726 8.061 ( -0.467 -0.298 0.097) 0.563 8.114 ( -0.325 0.087 0.233) 0.409 8.146 ( 0.771 0.038 -0.653) 1.011 8.178 ( -0.470 -0.094 1.024) 1.131 8.221 ( 0.184 -0.379 -0.950) 1.039 8.382 ( -0.445 0.311 0.001) 0.543 8.388 ( 0.361 -0.048 0.083) 0.374 8.448 ( -0.475 0.436 -0.273) 0.700 8.456 ( 0.702 -0.504 0.070) 0.867 ======================= Grid point 125 (56/95) ======================= q-point: (-0.56 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( -6.513 0.000 -6.194) 8.988 0.465 ( -6.207 0.000 -0.202) 6.210 0.509 ( 0.240 -0.000 -0.233) 0.334 0.520 ( 4.137 -0.000 -2.441) 4.803 0.582 ( 1.469 -0.000 -1.459) 2.071 0.665 ( 3.058 -0.000 -4.463) 5.410 0.718 ( 1.963 -0.000 7.735) 7.980 0.864 ( -2.540 0.000 4.590) 5.246 0.871 ( 2.312 -0.000 -3.880) 4.516 0.998 ( 0.552 -0.000 0.216) 0.593 1.008 ( -1.917 0.000 3.066) 3.616 1.077 ( 7.367 -0.000 -1.706) 7.561 1.220 ( 0.270 -0.000 -0.233) 0.357 1.252 ( -2.796 0.000 -0.437) 2.830 1.275 ( -1.459 0.000 0.847) 1.687 1.279 ( 0.151 -0.000 0.389) 0.417 1.385 ( -3.953 0.000 1.253) 4.147 1.433 ( -0.877 0.000 1.295) 1.564 1.467 ( 1.137 -0.000 -2.353) 2.613 1.487 ( 0.454 -0.000 -1.684) 1.744 1.533 ( -2.416 0.000 -0.838) 2.557 1.596 ( 3.878 -0.000 -1.441) 4.137 1.657 ( 0.851 -0.000 1.386) 1.626 1.666 ( -1.897 0.000 -0.714) 2.027 1.928 ( 0.917 -0.000 1.971) 2.174 1.984 ( -1.013 0.000 -0.138) 1.022 2.210 ( -0.304 0.000 5.284) 5.293 2.274 ( 1.753 -0.000 -0.346) 1.787 2.326 ( -0.948 0.000 0.461) 1.054 2.361 ( -1.415 0.000 -0.166) 1.425 2.369 ( 0.618 -0.000 -0.670) 0.911 2.396 ( 1.968 -0.000 -2.621) 3.277 2.450 ( 0.700 -0.000 -1.497) 1.653 2.470 ( -3.069 0.000 -2.083) 3.709 2.538 ( 3.425 -0.000 2.494) 4.236 2.596 ( -0.740 0.000 0.528) 0.909 2.623 ( 0.447 -0.000 -0.719) 0.847 2.720 ( 0.207 -0.000 0.706) 0.735 2.748 ( 0.064 -0.000 -0.301) 0.308 2.804 ( 0.942 -0.000 -2.496) 2.668 2.848 ( -3.074 0.000 -3.467) 4.634 2.942 ( -0.370 0.000 -3.537) 3.556 3.052 ( -0.692 0.000 4.594) 4.646 3.060 ( 2.469 -0.000 2.476) 3.497 3.127 ( -0.762 0.000 2.480) 2.594 3.149 ( -1.166 0.000 3.282) 3.483 3.294 ( -0.559 0.000 1.063) 1.201 3.299 ( -0.820 0.000 -0.498) 0.959 3.339 ( -0.657 0.000 2.040) 2.143 3.356 ( -1.557 0.000 -1.096) 1.904 3.422 ( 1.181 -0.000 -1.305) 1.760 3.459 ( 0.171 -0.000 0.550) 0.576 3.461 ( 0.156 -0.000 -0.635) 0.654 3.472 ( 0.409 -0.000 -0.293) 0.503 3.481 ( 0.553 -0.000 -0.639) 0.844 3.588 ( -2.065 0.000 -3.453) 4.024 3.609 ( -0.412 0.000 1.009) 1.090 3.669 ( 1.129 -0.000 -1.169) 1.626 3.749 ( -0.494 0.000 0.680) 0.841 3.754 ( 0.212 -0.000 0.177) 0.276 3.798 ( 0.482 -0.000 0.334) 0.587 3.802 ( -0.326 0.000 0.486) 0.585 3.914 ( -0.202 0.000 -0.257) 0.327 3.915 ( -0.419 0.000 -0.064) 0.424 4.289 ( -0.026 0.000 0.286) 0.287 4.301 ( 0.008 -0.000 -0.096) 0.097 4.395 ( 0.537 -0.000 0.061) 0.540 4.411 ( -0.695 0.000 -0.149) 0.711 4.421 ( 0.848 -0.000 0.136) 0.858 4.439 ( -0.497 0.000 -0.065) 0.502 4.440 ( -0.254 0.000 0.182) 0.312 4.450 ( 0.269 -0.000 -0.279) 0.387 4.837 ( -0.143 0.000 0.373) 0.400 4.855 ( 0.277 -0.000 -0.346) 0.443 5.042 ( 0.101 -0.000 -0.020) 0.103 5.045 ( 0.122 -0.000 0.022) 0.124 5.050 ( -0.266 0.000 0.050) 0.271 5.055 ( 0.037 -0.000 -0.057) 0.068 5.118 ( 0.272 -0.000 0.162) 0.317 5.126 ( -0.055 0.000 0.101) 0.115 7.332 ( -0.274 0.000 0.257) 0.376 7.341 ( 0.251 -0.000 -0.213) 0.329 7.382 ( 0.100 -0.000 0.353) 0.367 7.399 ( 0.210 -0.000 -0.157) 0.262 7.927 ( -0.039 0.000 0.918) 0.919 7.974 ( 1.155 -0.000 -1.022) 1.542 8.020 ( -1.197 0.000 0.889) 1.491 8.041 ( -0.244 0.000 0.086) 0.259 8.127 ( 0.543 -0.000 0.399) 0.673 8.162 ( 0.713 -0.000 1.908) 2.037 8.176 ( 1.024 -0.000 -1.633) 1.927 8.222 ( 0.408 -0.000 0.819) 0.915 8.280 ( -1.377 0.000 0.794) 1.589 8.402 ( 1.195 -0.000 -2.570) 2.835 8.484 ( 0.544 -0.000 -0.407) 0.679 8.486 ( -0.958 0.000 -0.082) 0.961 ======================= Grid point 126 (57/95) ======================= q-point: (-0.44 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -6.723 -7.469 -3.879) 10.772 0.579 ( 0.766 -2.100 -1.224) 2.549 0.594 ( -2.212 -6.961 -2.473) 7.712 0.691 ( -1.021 -15.743 1.903) 15.890 0.716 ( 2.689 -7.248 -4.681) 9.038 0.785 ( 2.200 -11.429 0.939) 11.676 0.814 ( -0.835 -8.392 2.123) 8.696 0.915 ( 0.219 -7.906 0.919) 7.962 0.951 ( -0.937 -7.585 1.238) 7.742 1.013 ( -1.002 0.152 3.373) 3.522 1.021 ( -1.116 -6.759 0.920) 6.912 1.129 ( 0.995 -5.915 -2.617) 6.544 1.193 ( 1.663 1.594 0.874) 2.464 1.229 ( 0.601 -0.321 -0.173) 0.703 1.297 ( 1.200 -1.269 0.110) 1.750 1.315 ( 0.835 -1.996 -0.035) 2.164 1.352 ( -3.359 1.784 1.088) 3.956 1.426 ( 0.096 2.872 -0.984) 3.038 1.449 ( -0.984 -0.957 0.216) 1.390 1.489 ( -0.677 -0.298 -1.893) 2.032 1.519 ( -1.073 0.344 -1.524) 1.895 1.581 ( 3.619 2.627 -1.724) 4.792 1.610 ( 1.741 3.238 1.369) 3.923 1.688 ( -0.836 -0.571 -0.825) 1.306 1.922 ( 0.544 1.217 1.927) 2.343 1.969 ( -1.392 0.850 -0.452) 1.693 2.228 ( -0.570 -0.386 3.750) 3.813 2.271 ( 1.509 1.199 -0.006) 1.927 2.322 ( -1.485 0.119 0.850) 1.716 2.369 ( 0.392 -2.097 0.053) 2.134 2.386 ( 0.904 -1.623 -0.980) 2.100 2.417 ( 1.670 -0.942 -1.118) 2.220 2.444 ( -1.680 -0.629 -0.353) 1.828 2.475 ( -0.945 -1.613 -1.629) 2.479 2.565 ( 3.479 -0.349 1.931) 3.994 2.598 ( -0.161 -0.306 0.345) 0.488 2.625 ( -0.004 -0.178 -0.347) 0.390 2.722 ( -1.529 0.037 -0.099) 1.533 2.755 ( -0.124 -0.239 -0.848) 0.890 2.777 ( 1.177 1.431 -5.426) 5.734 2.841 ( -1.713 -0.988 1.210) 2.319 2.944 ( -0.039 -0.989 -3.383) 3.524 3.027 ( -1.744 2.813 2.880) 4.388 3.077 ( 1.895 0.251 2.210) 2.922 3.114 ( 1.275 1.642 3.704) 4.248 3.138 ( -0.973 1.901 2.969) 3.657 3.248 ( -0.430 3.862 -1.090) 4.036 3.302 ( -1.035 -0.093 0.482) 1.146 3.322 ( -2.644 2.743 -0.163) 3.813 3.336 ( -0.542 0.846 1.681) 1.958 3.388 ( -0.087 4.644 0.209) 4.650 3.412 ( 0.120 4.345 0.702) 4.403 3.428 ( 0.987 2.641 -1.109) 3.030 3.442 ( 0.851 2.596 -0.456) 2.770 3.460 ( 0.563 1.117 -1.297) 1.802 3.548 ( -0.946 2.310 -4.133) 4.829 3.626 ( -0.761 -1.714 1.171) 2.211 3.690 ( 1.168 -1.579 -1.464) 2.449 3.764 ( -0.795 -1.595 0.802) 1.954 3.780 ( 0.359 -2.126 -0.031) 2.156 3.804 ( 0.193 -0.635 0.692) 0.959 3.818 ( 0.078 -1.337 0.169) 1.350 3.922 ( 0.051 -1.171 -0.010) 1.173 3.929 ( -0.460 -1.380 -0.204) 1.468 4.278 ( 0.017 0.973 0.391) 1.049 4.295 ( -0.019 0.747 -0.268) 0.794 4.401 ( 0.029 0.724 0.137) 0.738 4.408 ( -0.079 -0.345 -0.223) 0.419 4.421 ( 0.162 -0.744 0.377) 0.849 4.437 ( -0.227 -1.586 -0.369) 1.645 4.482 ( 0.429 -2.984 0.106) 3.016 4.489 ( -0.164 -3.362 -0.192) 3.371 4.830 ( -0.203 0.722 0.323) 0.817 4.845 ( 0.197 1.025 -0.273) 1.079 5.030 ( 0.094 1.722 0.201) 1.737 5.039 ( -0.017 1.546 -0.156) 1.554 5.054 ( 0.254 -0.913 0.276) 0.987 5.064 ( -0.123 -1.327 -0.145) 1.341 5.131 ( 0.153 -1.064 0.119) 1.082 5.135 ( -0.075 -0.949 -0.017) 0.952 7.335 ( -0.180 -0.432 0.251) 0.531 7.347 ( 0.286 -0.535 -0.224) 0.647 7.390 ( -0.022 -0.701 0.338) 0.779 7.402 ( 0.095 -0.300 -0.130) 0.340 7.950 ( 0.577 -1.984 0.668) 2.172 7.980 ( 0.823 -0.374 -0.643) 1.109 8.015 ( -1.068 -0.177 1.100) 1.544 8.047 ( -0.333 -0.284 -0.064) 0.442 8.125 ( 0.411 0.459 0.117) 0.627 8.173 ( 0.431 -0.152 1.447) 1.517 8.175 ( 0.208 0.056 -1.419) 1.436 8.215 ( -0.624 0.680 0.069) 0.925 8.299 ( 0.361 -1.928 1.437) 2.432 8.401 ( 0.947 0.013 -2.390) 2.570 8.465 ( -0.663 0.827 0.732) 1.288 8.499 ( 0.207 -0.395 -0.781) 0.900 ======================= Grid point 127 (58/95) ======================= q-point: (-0.33 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -4.597 -8.242 -0.749) 9.467 0.623 ( -0.770 -3.577 -0.071) 3.660 0.673 ( -2.584 -4.033 -2.492) 5.399 0.757 ( 0.749 -1.193 -1.814) 2.297 0.820 ( 1.634 -1.736 4.439) 5.039 0.910 ( -2.358 0.463 0.717) 2.508 0.981 ( -0.695 -4.611 -0.926) 4.755 0.999 ( 1.667 -0.602 -0.653) 1.889 1.024 ( -1.767 0.097 0.340) 1.802 1.062 ( 2.338 -2.292 0.218) 3.281 1.250 ( 1.315 -3.983 0.191) 4.199 1.259 ( -2.070 -2.615 0.702) 3.409 1.271 ( 0.044 -1.312 0.416) 1.377 1.310 ( -0.516 -1.753 -0.210) 1.839 1.351 ( 1.772 -3.656 0.801) 4.141 1.359 ( -1.323 -5.200 1.388) 5.542 1.378 ( -0.075 -5.405 0.650) 5.444 1.421 ( 1.433 -13.979 -1.172) 14.101 1.467 ( -2.238 -9.742 -2.855) 10.396 1.510 ( 0.326 -1.488 -2.655) 3.061 1.542 ( 0.411 -7.001 -0.741) 7.052 1.564 ( 1.638 -1.544 1.661) 2.797 1.591 ( 2.736 -3.001 0.395) 4.080 1.684 ( -1.329 -1.076 -2.812) 3.291 1.911 ( 0.166 0.479 1.357) 1.449 1.946 ( -0.822 0.504 -0.609) 1.140 2.228 ( -2.504 0.186 0.744) 2.619 2.255 ( 1.999 1.141 0.374) 2.332 2.322 ( -1.040 -0.274 2.320) 2.557 2.407 ( 0.471 -1.675 -0.442) 1.796 2.413 ( -0.557 -0.035 -0.694) 0.891 2.446 ( 2.585 -2.051 -0.730) 3.379 2.469 ( 0.487 -2.186 1.360) 2.620 2.507 ( -1.173 -2.437 0.227) 2.714 2.586 ( 2.333 -0.074 0.602) 2.411 2.605 ( 0.588 -0.075 0.005) 0.593 2.622 ( -1.502 0.285 -0.136) 1.535 2.684 ( -1.170 2.044 -3.338) 4.086 2.738 ( -0.698 0.434 0.242) 0.857 2.786 ( 2.362 -0.803 -1.858) 3.110 2.858 ( -0.622 -0.714 2.036) 2.245 2.942 ( -0.168 1.838 -1.389) 2.310 2.971 ( -1.734 1.286 1.202) 2.471 3.054 ( 0.791 3.653 -0.520) 3.774 3.095 ( 2.223 2.510 3.040) 4.526 3.111 ( -0.262 1.223 1.882) 2.259 3.153 ( 0.133 6.197 0.196) 6.201 3.213 ( -2.511 6.134 -1.141) 6.726 3.264 ( -0.221 7.189 1.442) 7.335 3.292 ( -0.785 2.996 0.809) 3.201 3.311 ( -0.411 3.685 1.483) 3.993 3.334 ( -1.227 2.487 -0.253) 2.784 3.368 ( 0.595 2.780 0.083) 2.845 3.416 ( -0.534 0.142 -0.174) 0.580 3.453 ( 1.550 0.150 -2.409) 2.868 3.490 ( 0.504 2.272 -3.161) 3.925 3.661 ( -0.930 -1.924 0.863) 2.304 3.720 ( 1.005 -1.477 -1.546) 2.363 3.795 ( -0.861 -1.678 0.852) 2.069 3.820 ( 0.485 -1.790 -0.170) 1.862 3.827 ( 0.033 -1.504 0.813) 1.709 3.847 ( 0.029 -1.634 -0.134) 1.640 3.951 ( -0.249 -1.754 0.106) 1.774 3.958 ( 0.088 -1.824 -0.102) 1.829 4.261 ( 0.046 0.961 0.379) 1.034 4.276 ( 0.016 1.106 -0.329) 1.154 4.391 ( 0.050 0.331 0.207) 0.393 4.400 ( -0.070 0.633 -0.210) 0.670 4.462 ( -0.221 -2.790 0.157) 2.803 4.472 ( -0.084 -2.278 -0.229) 2.291 4.552 ( 0.363 -4.182 0.197) 4.202 4.558 ( -0.215 -4.164 -0.255) 4.177 4.813 ( -0.122 0.997 0.183) 1.021 4.822 ( 0.247 1.371 -0.126) 1.399 4.987 ( -0.076 2.908 0.207) 2.916 4.994 ( -0.175 3.008 -0.140) 3.017 5.076 ( 0.031 -1.087 0.290) 1.125 5.088 ( 0.308 -1.095 -0.183) 1.152 5.153 ( 0.009 -1.152 0.044) 1.153 5.156 ( 0.136 -1.149 -0.055) 1.158 7.348 ( -0.004 -0.896 0.278) 0.938 7.361 ( 0.244 -0.864 -0.273) 0.938 7.406 ( -0.244 -0.933 0.139) 0.974 7.409 ( 0.072 -0.494 0.043) 0.501 7.986 ( 0.645 -0.518 0.159) 0.843 7.998 ( 0.886 -1.725 -0.291) 1.961 8.024 ( -0.872 -0.894 0.795) 1.481 8.048 ( -0.220 -0.062 0.439) 0.495 8.117 ( 0.257 0.527 0.275) 0.648 8.163 ( -0.644 0.490 -1.611) 1.802 8.176 ( -1.076 0.008 0.660) 1.262 8.210 ( 1.474 0.077 -0.192) 1.489 8.341 ( 0.493 -1.654 1.205) 2.105 8.398 ( 0.564 0.087 -1.681) 1.775 8.453 ( -0.606 0.447 1.236) 1.448 8.495 ( -0.001 0.601 -0.814) 1.012 ======================= Grid point 128 (59/95) ======================= q-point: (-0.22 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -1.085 -5.927 2.999) 6.731 0.676 ( -4.856 -1.451 1.666) 5.335 0.747 ( -1.551 -7.102 -3.015) 7.870 0.794 ( -0.309 -2.871 -2.041) 3.536 0.863 ( 0.822 -1.000 2.453) 2.774 0.905 ( 1.292 -2.153 0.722) 2.613 0.953 ( -1.224 3.305 0.069) 3.525 0.983 ( -0.335 1.860 -1.267) 2.275 1.039 ( -1.422 -0.724 0.732) 1.756 1.079 ( -0.828 0.495 -1.123) 1.481 1.165 ( -1.463 5.381 0.630) 5.612 1.206 ( 1.170 4.148 0.738) 4.372 1.262 ( 1.491 4.735 0.278) 4.972 1.282 ( 0.612 3.598 -1.454) 3.928 1.316 ( 2.431 1.875 0.961) 3.217 1.377 ( 0.428 3.144 -2.702) 4.167 1.451 ( 0.743 -2.238 1.503) 2.796 1.533 ( 1.027 -1.775 -1.916) 2.807 1.548 ( 2.667 0.063 1.997) 3.332 1.616 ( -2.235 -1.264 -4.078) 4.819 1.784 ( -0.485 -11.583 0.235) 11.596 1.823 ( 0.634 -13.838 -1.219) 13.906 1.854 ( -1.069 -22.193 1.062) 22.244 1.871 ( -0.713 -17.402 0.789) 17.434 1.935 ( -0.189 -6.893 1.122) 6.986 1.976 ( 0.381 -6.936 -0.821) 6.995 2.216 ( -3.656 -0.857 -0.817) 3.843 2.245 ( 2.079 1.172 1.257) 2.698 2.335 ( -0.129 -0.865 1.814) 2.014 2.404 ( -0.282 0.327 -1.541) 1.600 2.435 ( 0.334 -1.240 0.323) 1.324 2.474 ( 1.165 -0.689 -0.951) 1.655 2.527 ( 2.600 -2.032 1.030) 3.457 2.543 ( -1.758 -1.544 0.771) 2.463 2.583 ( -2.204 1.460 -0.940) 2.806 2.593 ( 0.059 -0.020 -0.470) 0.474 2.610 ( 0.140 0.213 0.169) 0.306 2.659 ( 2.098 0.535 0.482) 2.218 2.724 ( -0.760 0.932 0.143) 1.211 2.788 ( 1.631 1.556 -2.595) 3.438 2.863 ( 0.325 0.838 1.534) 1.778 2.884 ( 0.611 3.679 0.672) 3.790 2.952 ( -1.023 2.428 0.236) 2.645 2.987 ( -0.279 4.197 -0.594) 4.248 2.994 ( 0.563 8.126 0.581) 8.166 3.024 ( 0.724 6.005 0.285) 6.056 3.062 ( -1.137 6.878 0.838) 7.021 3.098 ( -1.144 4.133 -0.705) 4.346 3.177 ( 0.574 2.380 3.077) 3.932 3.208 ( -0.338 4.669 0.328) 4.693 3.220 ( -1.729 3.569 1.055) 4.104 3.305 ( -0.524 0.682 -2.179) 2.342 3.358 ( 0.588 -0.290 1.130) 1.307 3.419 ( -0.870 -0.623 -0.014) 1.070 3.438 ( 1.380 1.244 -2.472) 3.092 3.468 ( 0.937 0.118 -1.370) 1.664 3.690 ( -0.846 -1.390 0.734) 1.784 3.744 ( 0.812 -1.059 -1.331) 1.885 3.820 ( -0.675 -1.198 0.824) 1.603 3.849 ( 0.470 -1.196 -0.186) 1.298 3.856 ( -0.225 -1.290 0.569) 1.428 3.875 ( 0.150 -1.391 -0.236) 1.419 3.981 ( -0.422 -1.605 0.050) 1.661 3.991 ( 0.424 -1.520 0.071) 1.579 4.246 ( 0.034 0.756 0.234) 0.792 4.254 ( 0.018 1.079 -0.223) 1.102 4.386 ( -0.226 0.496 -0.031) 0.546 4.389 ( 0.153 0.213 0.069) 0.271 4.512 ( -0.292 -2.545 -0.089) 2.563 4.517 ( 0.251 -2.415 0.054) 2.429 4.633 ( 0.050 -4.200 0.131) 4.202 4.635 ( -0.305 -4.203 -0.167) 4.217 4.795 ( -0.156 0.923 -0.026) 0.937 4.800 ( 0.485 1.092 0.079) 1.198 4.926 ( -0.164 3.551 0.211) 3.561 4.932 ( -0.213 3.344 -0.190) 3.356 5.093 ( -0.204 -0.652 0.124) 0.694 5.103 ( 0.398 -0.428 -0.097) 0.592 5.171 ( 0.022 -0.778 0.023) 0.778 5.174 ( 0.180 -0.706 -0.026) 0.729 7.367 ( 0.160 -0.988 0.268) 1.036 7.377 ( 0.128 -0.774 -0.276) 0.832 7.415 ( -0.090 -0.239 0.281) 0.380 7.423 ( -0.179 -0.787 -0.203) 0.833 7.993 ( 0.015 -0.183 0.511) 0.542 8.019 ( 0.467 -0.342 -0.872) 1.047 8.040 ( -0.624 -0.861 0.369) 1.126 8.055 ( 0.361 -0.374 0.740) 0.904 8.113 ( 0.243 0.135 0.667) 0.723 8.150 ( -0.298 0.217 -1.404) 1.451 8.172 ( -1.292 -0.163 0.332) 1.344 8.216 ( 1.654 0.052 -0.297) 1.681 8.368 ( 0.267 -0.856 0.642) 1.103 8.394 ( 0.054 0.131 -0.906) 0.917 8.449 ( -0.104 0.135 0.986) 1.001 8.476 ( -0.330 0.947 -0.709) 1.228 ======================= Grid point 129 (60/95) ======================= q-point: (-0.11 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -4.929 0.640 0.026) 4.970 0.756 ( 1.175 -1.729 2.798) 3.493 0.813 ( -0.178 -0.224 0.431) 0.517 0.864 ( -1.297 -2.736 -0.443) 3.060 0.890 ( 2.116 -2.914 -0.849) 3.700 0.909 ( -1.194 0.356 0.294) 1.280 0.953 ( -0.538 0.316 0.887) 1.085 0.994 ( 0.675 -4.070 -0.219) 4.131 1.008 ( -0.392 1.523 -0.311) 1.603 1.025 ( -0.493 2.155 -1.449) 2.643 1.113 ( -1.136 1.122 1.481) 2.178 1.154 ( 0.764 4.415 2.228) 5.004 1.170 ( -0.410 2.289 -1.069) 2.560 1.220 ( 0.568 2.449 -0.704) 2.611 1.310 ( 0.794 0.273 -0.771) 1.140 1.323 ( 2.151 1.020 -1.862) 3.022 1.475 ( -0.969 -0.257 0.684) 1.213 1.554 ( -0.915 -0.662 0.371) 1.188 1.583 ( 5.302 -1.581 0.524) 5.558 1.601 ( -2.506 0.027 -2.547) 3.573 1.860 ( -0.049 -0.675 0.077) 0.681 1.885 ( 0.435 -0.110 -0.436) 0.625 2.128 ( -1.661 -6.097 0.545) 6.342 2.162 ( -1.479 -7.226 2.099) 7.669 2.181 ( 1.332 -8.399 0.007) 8.504 2.208 ( -0.831 -11.419 1.182) 11.510 2.251 ( 0.592 -3.740 -0.384) 3.806 2.277 ( -1.199 -7.938 -1.177) 8.114 2.371 ( 0.831 -2.949 1.023) 3.230 2.396 ( 0.308 -0.800 -2.382) 2.532 2.463 ( 0.188 -1.266 0.757) 1.487 2.479 ( 0.179 -0.235 -0.444) 0.533 2.535 ( 0.172 1.283 0.485) 1.382 2.555 ( 1.086 0.771 -0.394) 1.389 2.558 ( -2.901 -0.659 -0.540) 3.024 2.598 ( 0.734 1.969 -0.013) 2.102 2.606 ( -0.289 -0.877 0.532) 1.066 2.664 ( 0.088 0.394 1.110) 1.181 2.698 ( 2.765 1.503 -0.374) 3.170 2.715 ( 0.331 5.526 -2.821) 6.213 2.783 ( -0.510 8.067 -0.395) 8.093 2.792 ( 1.225 5.640 0.746) 5.819 2.869 ( 1.556 2.137 2.737) 3.805 2.878 ( -2.838 4.529 -2.156) 5.763 2.909 ( -0.375 3.123 0.456) 3.178 2.955 ( 1.363 0.505 0.401) 1.508 2.986 ( -1.165 1.035 2.555) 2.993 3.051 ( -0.917 0.700 -1.573) 1.951 3.132 ( -2.991 1.905 -0.691) 3.613 3.139 ( 1.645 2.607 1.717) 3.528 3.207 ( -0.555 -0.478 2.067) 2.193 3.298 ( 0.622 -0.588 -1.927) 2.109 3.369 ( 0.246 -0.210 0.596) 0.678 3.413 ( 0.593 0.515 -1.500) 1.694 3.436 ( -0.018 -0.534 0.083) 0.540 3.468 ( 0.663 0.020 -1.034) 1.228 3.707 ( -0.611 -0.518 0.755) 1.101 3.757 ( 0.730 -0.325 -1.251) 1.484 3.836 ( -0.550 -0.497 0.866) 1.140 3.865 ( 0.386 -0.419 -0.296) 0.642 3.872 ( -0.364 -0.432 0.452) 0.724 3.894 ( 0.206 -0.511 -0.309) 0.632 4.004 ( -0.246 -0.812 0.109) 0.855 4.013 ( 0.226 -0.547 0.066) 0.595 4.236 ( -0.003 0.284 0.077) 0.294 4.238 ( 0.015 0.498 -0.079) 0.504 4.378 ( -0.192 0.206 0.151) 0.320 4.388 ( 0.161 0.075 -0.116) 0.212 4.547 ( -0.162 -1.118 0.033) 1.130 4.553 ( 0.223 -1.163 -0.043) 1.185 4.698 ( -0.458 -2.409 -0.250) 2.465 4.700 ( 0.196 -2.340 0.239) 2.361 4.781 ( -0.298 0.317 -0.162) 0.465 4.788 ( 0.481 0.554 0.199) 0.760 4.866 ( -0.166 2.352 0.224) 2.369 4.877 ( 0.032 2.049 -0.239) 2.063 5.101 ( -0.175 -0.319 0.013) 0.364 5.107 ( 0.220 0.062 -0.024) 0.230 5.181 ( -0.044 -0.308 -0.033) 0.313 5.183 ( 0.145 -0.205 0.036) 0.254 7.383 ( 0.150 -0.443 0.141) 0.488 7.386 ( -0.007 -0.214 -0.162) 0.269 7.418 ( -0.163 -0.028 0.316) 0.357 7.433 ( 0.055 -0.317 -0.366) 0.487 7.996 ( -0.215 0.006 0.521) 0.564 8.020 ( 0.293 0.038 -0.617) 0.684 8.051 ( -0.489 -0.548 0.211) 0.765 8.060 ( 0.209 0.117 0.426) 0.488 8.115 ( 0.015 0.051 0.534) 0.536 8.146 ( 0.370 -0.110 -0.960) 1.035 8.173 ( -0.952 -0.306 0.497) 1.117 8.219 ( 0.979 0.124 -0.528) 1.119 8.381 ( 0.075 -0.345 0.340) 0.491 8.389 ( -0.090 0.093 -0.225) 0.260 8.452 ( 0.291 -0.167 0.419) 0.536 8.457 ( -0.404 0.743 -0.563) 1.016 ======================= Grid point 135 (61/95) ======================= q-point: (-0.44 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( -8.140 0.000 -3.230) 8.757 0.387 ( -9.623 0.000 -0.378) 9.630 0.504 ( 0.340 -0.000 -4.173) 4.187 0.550 ( 3.254 -0.000 -0.092) 3.256 0.587 ( 1.743 -0.000 -1.957) 2.620 0.663 ( 1.525 -0.000 -3.114) 3.468 0.764 ( -1.775 0.000 3.144) 3.611 0.830 ( -7.151 0.000 6.101) 9.400 0.864 ( -0.487 0.000 -3.192) 3.229 0.995 ( -3.848 0.000 2.273) 4.469 1.005 ( -0.621 0.000 1.417) 1.548 1.108 ( 2.383 -0.000 -1.825) 3.002 1.244 ( 5.010 -0.000 -0.339) 5.022 1.259 ( 2.696 -0.000 -0.716) 2.790 1.283 ( 2.351 -0.000 1.117) 2.603 1.285 ( 1.754 -0.000 0.966) 2.003 1.358 ( -3.385 0.000 0.932) 3.511 1.430 ( -1.426 0.000 0.724) 1.599 1.452 ( -1.061 0.000 -1.813) 2.100 1.484 ( 0.390 -0.000 -0.840) 0.927 1.513 ( -0.731 0.000 -1.436) 1.612 1.616 ( 3.781 -0.000 -4.393) 5.797 1.661 ( 0.197 -0.000 1.915) 1.925 1.681 ( 2.613 -0.000 1.417) 2.973 1.951 ( 1.376 -0.000 2.857) 3.171 1.968 ( -2.066 0.000 -0.386) 2.101 2.229 ( -1.437 0.000 4.659) 4.876 2.295 ( 2.613 -0.000 0.554) 2.671 2.317 ( -1.747 0.000 -0.107) 1.751 2.346 ( -1.098 0.000 -0.337) 1.148 2.369 ( 0.494 -0.000 -1.301) 1.392 2.402 ( 2.025 -0.000 -1.810) 2.716 2.432 ( -3.043 0.000 -1.611) 3.443 2.450 ( 0.908 -0.000 -1.038) 1.379 2.586 ( 2.841 -0.000 2.543) 3.813 2.598 ( 1.167 -0.000 1.369) 1.799 2.621 ( -0.063 0.000 -0.837) 0.839 2.714 ( -2.331 0.000 -0.983) 2.530 2.748 ( 0.396 -0.000 -0.397) 0.560 2.778 ( 0.328 -0.000 -7.636) 7.643 2.827 ( -1.044 0.000 2.245) 2.476 2.923 ( 0.046 -0.000 -3.267) 3.268 3.050 ( -3.168 0.000 2.650) 4.131 3.093 ( 1.976 -0.000 1.466) 2.460 3.137 ( -0.406 0.000 4.294) 4.313 3.176 ( 0.805 -0.000 5.702) 5.759 3.279 ( -2.446 0.000 -1.532) 2.886 3.290 ( -0.966 0.000 0.015) 0.966 3.342 ( -0.328 0.000 -0.427) 0.538 3.348 ( 0.152 -0.000 2.379) 2.384 3.425 ( 0.636 -0.000 -0.670) 0.924 3.458 ( 0.002 -0.000 -0.509) 0.509 3.464 ( 0.607 -0.000 -0.125) 0.620 3.473 ( 0.028 -0.000 -0.128) 0.131 3.484 ( 0.833 -0.000 -0.587) 1.019 3.550 ( -0.931 0.000 -5.145) 5.229 3.609 ( -1.088 0.000 1.328) 1.717 3.672 ( 0.969 -0.000 -1.107) 1.471 3.746 ( -0.674 0.000 0.544) 0.866 3.758 ( 0.421 -0.000 0.234) 0.482 3.801 ( -0.447 0.000 0.379) 0.586 3.806 ( 0.793 -0.000 0.526) 0.951 3.911 ( -0.270 0.000 -0.165) 0.316 3.912 ( -0.163 0.000 -0.213) 0.268 4.291 ( 0.133 -0.000 0.348) 0.372 4.301 ( -0.047 0.000 -0.154) 0.161 4.401 ( 0.458 -0.000 0.324) 0.561 4.401 ( -1.056 0.000 -0.296) 1.097 4.430 ( 0.675 -0.000 0.321) 0.747 4.433 ( -0.511 0.000 -0.359) 0.625 4.441 ( 0.277 -0.000 0.136) 0.309 4.451 ( 0.425 -0.000 -0.238) 0.487 4.837 ( -0.267 0.000 0.377) 0.462 4.855 ( 0.122 -0.000 -0.349) 0.370 5.044 ( 0.133 -0.000 0.032) 0.137 5.046 ( -0.124 0.000 -0.161) 0.203 5.048 ( -0.015 0.000 0.195) 0.195 5.055 ( 0.104 -0.000 -0.075) 0.128 5.122 ( 0.321 -0.000 0.270) 0.419 5.125 ( -0.169 0.000 0.014) 0.170 7.331 ( -0.198 0.000 0.207) 0.286 7.343 ( 0.422 -0.000 -0.180) 0.459 7.384 ( -0.024 0.000 0.421) 0.422 7.399 ( -0.033 0.000 -0.222) 0.224 7.931 ( -0.200 0.000 0.977) 0.997 7.978 ( 0.865 -0.000 -1.154) 1.443 8.016 ( -0.771 0.000 1.020) 1.279 8.041 ( 0.109 -0.000 0.043) 0.117 8.132 ( 0.176 -0.000 0.405) 0.442 8.174 ( 0.390 -0.000 -1.683) 1.727 8.182 ( 1.071 -0.000 2.863) 3.056 8.217 ( -1.720 0.000 -0.066) 1.721 8.283 ( 0.517 -0.000 1.610) 1.691 8.397 ( 1.007 -0.000 -3.478) 3.621 8.475 ( -1.173 0.000 -0.297) 1.210 8.488 ( 0.634 -0.000 -0.167) 0.655 ======================= Grid point 136 (62/95) ======================= q-point: (-0.33 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -6.807 -8.640 -0.213) 11.002 0.549 ( -3.483 -7.276 -3.420) 8.762 0.561 ( -4.282 -4.089 -0.498) 5.941 0.684 ( -1.258 -16.240 0.640) 16.301 0.721 ( 2.043 -5.388 -3.671) 6.832 0.799 ( 2.042 -15.453 -2.872) 15.850 0.837 ( 0.910 -1.598 5.914) 6.193 0.889 ( -5.651 -13.531 0.196) 14.665 0.934 ( -4.521 -8.263 1.645) 9.561 1.011 ( -0.420 -5.984 1.377) 6.155 1.032 ( 0.458 -1.209 1.905) 2.303 1.108 ( -1.190 -3.407 -2.270) 4.263 1.219 ( 1.512 2.311 0.311) 2.779 1.243 ( 1.925 0.688 0.516) 2.108 1.308 ( 0.997 -1.410 -0.602) 1.829 1.333 ( -2.157 0.787 1.311) 2.644 1.343 ( 4.968 -1.386 0.154) 5.160 1.421 ( 0.053 1.883 -0.750) 2.028 1.442 ( -0.394 0.930 -0.051) 1.011 1.480 ( 0.316 -1.350 -0.750) 1.576 1.503 ( -0.348 0.348 -1.890) 1.953 1.599 ( 3.413 2.392 -3.096) 5.191 1.645 ( 3.200 2.408 2.275) 4.606 1.679 ( 0.354 1.356 -1.184) 1.834 1.937 ( 0.074 1.762 2.274) 2.878 1.953 ( -1.418 0.669 -0.235) 1.585 2.232 ( -2.124 0.621 1.861) 2.891 2.280 ( 0.536 1.016 -0.000) 1.149 2.316 ( -1.076 -0.313 1.272) 1.695 2.373 ( 0.319 -1.830 -0.359) 1.892 2.395 ( 1.351 -2.091 0.178) 2.496 2.422 ( 0.969 -1.386 -1.324) 2.148 2.430 ( -0.302 -1.834 0.144) 1.865 2.467 ( 0.372 -1.468 -0.595) 1.627 2.593 ( 0.376 -0.025 0.469) 0.601 2.610 ( 1.806 0.182 0.887) 2.020 2.621 ( -0.748 0.246 -0.001) 0.787 2.691 ( -1.908 0.371 -3.254) 3.790 2.745 ( 0.267 0.543 -1.550) 1.664 2.774 ( 2.002 -0.964 -2.306) 3.203 2.841 ( -0.628 -1.098 2.450) 2.757 2.928 ( 0.341 -1.053 -3.207) 3.392 3.020 ( -2.894 2.471 2.593) 4.605 3.093 ( 0.229 0.952 0.129) 0.988 3.140 ( 0.623 1.074 4.338) 4.513 3.163 ( 0.547 2.751 4.475) 5.281 3.236 ( -1.038 2.852 -1.167) 3.252 3.279 ( -1.907 2.299 -3.180) 4.363 3.309 ( -1.928 1.067 2.616) 3.420 3.343 ( -0.255 1.310 2.321) 2.677 3.388 ( -0.196 4.770 0.336) 4.786 3.416 ( 0.049 3.893 0.649) 3.947 3.430 ( 0.482 3.007 -0.796) 3.148 3.448 ( 0.771 3.169 -0.149) 3.264 3.462 ( 1.502 0.744 -1.499) 2.249 3.520 ( 0.111 1.566 -4.528) 4.792 3.624 ( -1.193 -1.648 1.145) 2.335 3.691 ( 0.719 -1.521 -1.500) 2.254 3.761 ( -0.813 -1.579 0.701) 1.909 3.784 ( 0.457 -2.039 0.054) 2.090 3.808 ( -0.125 -0.851 0.534) 1.012 3.821 ( 0.391 -1.025 0.182) 1.112 3.922 ( -0.315 -1.203 -0.099) 1.248 3.926 ( 0.113 -1.502 0.015) 1.507 4.281 ( 0.176 0.987 0.422) 1.087 4.293 ( -0.029 0.760 -0.312) 0.822 4.402 ( 0.001 0.672 0.097) 0.679 4.406 ( -0.075 -0.411 -0.139) 0.440 4.424 ( -0.116 -0.688 0.360) 0.785 4.431 ( -0.643 -1.457 -0.347) 1.630 4.486 ( 0.074 -3.288 -0.140) 3.291 4.490 ( 0.679 -2.959 -0.032) 3.036 4.830 ( -0.243 0.711 0.315) 0.815 4.846 ( 0.182 0.952 -0.264) 1.004 5.031 ( 0.026 1.794 0.204) 1.805 5.037 ( -0.248 1.571 -0.178) 1.600 5.057 ( 0.042 -0.917 0.183) 0.936 5.065 ( 0.583 -1.476 -0.085) 1.589 5.132 ( -0.036 -0.929 0.029) 0.931 5.135 ( 0.216 -1.029 0.025) 1.052 7.335 ( -0.089 -0.498 0.215) 0.550 7.349 ( 0.413 -0.467 -0.221) 0.662 7.390 ( -0.231 -0.584 0.332) 0.710 7.401 ( -0.107 -0.381 -0.176) 0.433 7.960 ( 0.930 -2.373 0.514) 2.600 7.982 ( 0.633 -0.411 -1.037) 1.283 8.013 ( -0.700 -0.058 1.375) 1.544 8.046 ( 0.066 -0.224 0.113) 0.260 8.129 ( 0.120 0.460 0.352) 0.592 8.167 ( -0.196 0.499 -1.660) 1.744 8.176 ( -1.648 0.750 1.082) 2.109 8.217 ( 1.337 -0.157 0.434) 1.414 8.314 ( 0.936 -1.935 1.923) 2.884 8.394 ( 0.865 -0.223 -3.173) 3.296 8.460 ( -1.288 0.512 0.680) 1.544 8.497 ( 0.343 -0.199 -0.721) 0.823 ======================= Grid point 137 (63/95) ======================= q-point: (-0.22 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -4.741 -9.733 1.104) 10.882 0.603 ( -7.120 -3.706 1.843) 8.235 0.633 ( -0.883 -5.310 -2.672) 6.010 0.739 ( -1.510 -1.308 -2.843) 3.475 0.856 ( 0.751 -1.742 3.991) 4.419 0.903 ( 0.340 -0.574 0.433) 0.795 0.972 ( 0.042 -2.216 -1.319) 2.579 1.004 ( -1.263 -2.817 0.174) 3.092 1.016 ( 0.877 2.258 -0.034) 2.422 1.075 ( 0.839 -0.322 -0.365) 0.970 1.238 ( -2.907 -9.388 0.983) 9.877 1.258 ( 0.177 -3.817 -0.881) 3.922 1.275 ( 0.142 -2.784 0.746) 2.885 1.302 ( 0.005 0.315 -0.714) 0.780 1.353 ( -0.391 -5.293 -0.054) 5.308 1.377 ( 0.686 -8.706 2.147) 8.993 1.388 ( 2.186 -0.347 1.155) 2.497 1.433 ( 1.201 -10.041 -0.813) 10.145 1.438 ( -1.336 -10.798 -0.692) 10.902 1.506 ( 1.667 -2.564 -2.071) 3.694 1.537 ( -0.516 -5.083 -1.421) 5.303 1.578 ( 1.136 -3.159 -0.932) 3.484 1.631 ( 4.114 0.255 2.231) 4.687 1.662 ( 0.306 -1.930 -2.533) 3.199 1.918 ( -0.198 0.635 1.420) 1.568 1.937 ( -0.612 0.163 -0.446) 0.775 2.202 ( -3.244 0.852 -0.153) 3.358 2.275 ( 1.749 0.703 0.745) 2.026 2.323 ( -1.511 -0.678 2.014) 2.608 2.397 ( -1.312 -0.609 -0.605) 1.568 2.414 ( 1.183 -1.202 -0.752) 1.847 2.459 ( 1.350 -1.179 -0.844) 1.981 2.491 ( 1.685 -3.070 1.325) 3.744 2.503 ( 0.105 -2.277 1.006) 2.491 2.589 ( -3.749 1.069 -2.527) 4.646 2.596 ( 0.415 0.026 -0.116) 0.432 2.616 ( 1.005 0.096 -0.137) 1.019 2.682 ( 2.128 0.549 0.193) 2.206 2.733 ( 0.055 0.570 -0.227) 0.616 2.797 ( 2.059 -0.632 -1.817) 2.818 2.866 ( -0.414 -0.885 2.368) 2.562 2.932 ( 0.186 0.824 -2.301) 2.451 2.964 ( -1.898 1.719 2.144) 3.340 3.050 ( -0.502 3.478 -1.075) 3.675 3.111 ( -0.509 2.894 0.442) 2.971 3.128 ( 0.886 2.856 2.321) 3.785 3.161 ( 0.202 5.872 0.587) 5.905 3.186 ( -1.588 4.534 -0.363) 4.818 3.270 ( -0.488 6.258 1.544) 6.464 3.291 ( -0.332 3.980 0.876) 4.089 3.313 ( -0.700 2.325 1.144) 2.684 3.322 ( -1.434 4.956 0.204) 5.163 3.375 ( 0.632 2.123 0.404) 2.252 3.410 ( -0.758 0.496 0.074) 0.909 3.457 ( 2.081 0.492 -2.298) 3.139 3.481 ( 1.028 1.476 -2.919) 3.428 3.656 ( -1.116 -1.941 0.836) 2.390 3.719 ( 0.612 -1.552 -1.485) 2.233 3.792 ( -0.667 -1.729 0.817) 2.026 3.823 ( 0.487 -1.821 -0.127) 1.889 3.830 ( -0.152 -1.379 0.553) 1.494 3.847 ( 0.132 -1.580 -0.117) 1.590 3.948 ( -0.468 -1.719 -0.013) 1.781 3.961 ( 0.446 -1.938 0.148) 1.994 4.264 ( 0.142 1.033 0.367) 1.106 4.274 ( 0.053 1.078 -0.324) 1.127 4.392 ( -0.093 0.316 0.046) 0.333 4.399 ( 0.039 0.704 -0.025) 0.706 4.459 ( -0.428 -2.750 0.008) 2.783 4.470 ( -0.171 -2.617 -0.061) 2.624 4.555 ( -0.307 -4.076 -0.290) 4.098 4.557 ( 0.419 -4.011 0.195) 4.037 4.813 ( -0.068 1.004 0.150) 1.018 4.825 ( 0.385 1.256 -0.108) 1.318 4.986 ( -0.285 2.967 0.169) 2.985 4.991 ( -0.418 2.979 -0.134) 3.011 5.077 ( -0.131 -0.992 0.128) 1.009 5.092 ( 0.808 -1.001 -0.114) 1.292 5.154 ( 0.081 -1.171 0.030) 1.174 5.158 ( 0.260 -1.128 -0.046) 1.158 7.350 ( 0.078 -0.973 0.239) 1.005 7.362 ( 0.329 -0.787 -0.302) 0.905 7.403 ( -0.448 -0.895 0.102) 1.006 7.410 ( -0.061 -0.535 0.024) 0.539 7.990 ( 0.267 -0.333 -0.259) 0.500 8.005 ( 1.166 -1.435 -0.784) 2.008 8.022 ( -0.658 -0.785 1.035) 1.456 8.052 ( 0.439 -0.335 0.819) 0.988 8.122 ( 0.227 0.413 0.816) 0.942 8.148 ( -0.989 0.371 -1.375) 1.734 8.165 ( -1.334 0.065 -0.114) 1.340 8.226 ( 2.060 0.136 0.051) 2.065 8.352 ( 0.628 -1.225 1.056) 1.734 8.393 ( 0.566 0.007 -1.875) 1.959 8.453 ( -0.938 0.092 1.175) 1.506 8.490 ( -0.200 0.761 -0.759) 1.093 ======================= Grid point 138 (64/95) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -8.053 -1.376 1.018) 8.233 0.653 ( -2.702 -8.498 1.173) 8.994 0.736 ( -0.143 -6.045 -0.380) 6.058 0.779 ( 0.099 -4.012 -0.938) 4.122 0.888 ( 1.556 -0.812 2.368) 2.948 0.913 ( 0.152 -1.769 -1.691) 2.452 0.939 ( -2.120 3.147 0.532) 3.832 0.982 ( 1.044 1.477 0.209) 1.821 1.025 ( -2.128 -0.400 0.261) 2.181 1.066 ( -0.857 0.573 -0.754) 1.277 1.154 ( -1.466 5.541 0.201) 5.735 1.227 ( 2.310 4.790 1.026) 5.416 1.269 ( 0.321 4.321 -0.547) 4.367 1.288 ( 1.849 3.803 -0.214) 4.235 1.347 ( 3.206 1.908 0.452) 3.758 1.371 ( 1.681 2.956 -2.043) 3.967 1.460 ( 0.209 -1.655 -0.020) 1.669 1.526 ( -1.285 -1.879 0.859) 2.433 1.562 ( -1.194 -1.388 -3.167) 3.658 1.607 ( 3.933 0.126 0.640) 3.986 1.785 ( 0.318 -11.947 0.371) 11.957 1.824 ( 0.611 -14.166 -0.775) 14.200 1.850 ( -1.029 -22.077 0.803) 22.116 1.867 ( -1.235 -16.736 0.806) 16.801 1.938 ( -0.422 -6.047 1.217) 6.183 1.976 ( 0.552 -7.924 -0.952) 8.000 2.182 ( -3.175 -0.503 -0.307) 3.229 2.269 ( 1.773 0.931 1.337) 2.407 2.339 ( -0.915 -1.202 1.331) 2.013 2.393 ( -0.108 0.154 -1.736) 1.746 2.439 ( 0.056 -1.069 0.431) 1.154 2.478 ( 1.020 -0.684 -1.877) 2.243 2.532 ( -1.894 -1.221 1.291) 2.597 2.545 ( -0.139 0.085 -1.477) 1.486 2.558 ( 0.758 -0.796 -0.163) 1.111 2.598 ( 0.434 -0.062 0.595) 0.739 2.616 ( 0.674 0.192 0.164) 0.720 2.677 ( -0.117 0.888 1.127) 1.440 2.723 ( 0.690 0.627 0.002) 0.932 2.788 ( 1.675 2.072 -2.477) 3.637 2.873 ( 0.072 0.768 1.141) 1.377 2.895 ( 1.332 3.265 -0.272) 3.537 2.947 ( -0.456 1.641 0.855) 1.906 2.980 ( -0.564 2.992 -0.436) 3.075 2.999 ( -0.245 9.076 0.191) 9.081 3.027 ( 0.304 6.604 -0.898) 6.672 3.059 ( -1.013 6.394 1.276) 6.598 3.086 ( -0.821 4.852 -0.064) 4.921 3.185 ( -2.043 4.914 -0.012) 5.322 3.201 ( -0.690 3.493 2.312) 4.245 3.222 ( -0.241 2.380 1.368) 2.756 3.294 ( 0.314 0.592 -1.198) 1.372 3.370 ( 0.680 -0.144 1.018) 1.233 3.412 ( -0.737 -0.760 0.214) 1.080 3.438 ( 1.443 1.231 -2.360) 3.027 3.470 ( 1.056 0.109 -1.222) 1.618 3.686 ( -0.862 -1.507 0.731) 1.884 3.744 ( 0.598 -1.117 -1.284) 1.804 3.819 ( -0.524 -1.224 0.845) 1.577 3.853 ( 0.582 -1.132 -0.234) 1.294 3.856 ( -0.387 -1.232 0.408) 1.354 3.875 ( 0.095 -1.392 -0.239) 1.416 3.979 ( -0.287 -1.681 0.121) 1.709 3.996 ( 0.397 -1.457 0.093) 1.513 4.247 ( 0.008 0.842 0.203) 0.866 4.254 ( 0.088 1.051 -0.194) 1.073 4.384 ( -0.246 0.473 -0.003) 0.534 4.391 ( 0.154 0.206 0.055) 0.263 4.509 ( -0.255 -2.617 -0.082) 2.631 4.519 ( 0.207 -2.504 0.053) 2.513 4.629 ( -0.477 -4.133 -0.222) 4.167 4.636 ( 0.062 -4.173 0.188) 4.177 4.794 ( -0.050 1.044 -0.024) 1.046 4.806 ( 0.544 1.011 0.042) 1.149 4.924 ( -0.335 3.472 0.127) 3.490 4.929 ( -0.273 3.264 -0.123) 3.277 5.091 ( -0.200 -0.613 0.086) 0.651 5.107 ( 0.454 -0.315 -0.119) 0.565 5.172 ( 0.077 -0.723 0.031) 0.727 5.176 ( 0.229 -0.701 -0.028) 0.738 7.370 ( 0.177 -1.006 0.191) 1.040 7.377 ( 0.177 -0.700 -0.301) 0.782 7.415 ( -0.176 -0.318 0.250) 0.441 7.420 ( -0.268 -0.779 -0.199) 0.848 7.995 ( -0.123 -0.161 0.257) 0.327 8.018 ( 0.445 -0.227 -0.777) 0.923 8.037 ( -0.514 -0.809 0.442) 1.055 8.062 ( 0.505 -0.156 0.535) 0.752 8.120 ( 0.257 0.284 0.933) 1.008 8.142 ( 0.068 -0.191 -1.051) 1.071 8.161 ( -1.309 -0.393 0.078) 1.369 8.229 ( 1.556 0.390 -0.343) 1.640 8.373 ( 0.292 -0.685 0.418) 0.854 8.390 ( 0.085 0.104 -0.731) 0.744 8.452 ( -0.310 -0.031 0.777) 0.837 8.469 ( -0.456 0.948 -0.645) 1.234 ======================= Grid point 145 (65/95) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.212 ( -7.264 0.000 5.090) 8.870 0.298 ( -10.585 0.000 1.126) 10.645 0.480 ( 0.493 -0.000 -5.309) 5.332 0.553 ( -6.839 0.000 3.912) 7.879 0.599 ( 3.825 -0.000 -3.409) 5.124 0.663 ( 1.457 -0.000 -2.086) 2.544 0.685 ( -9.676 0.000 -0.988) 9.726 0.821 ( -5.205 0.000 -3.276) 6.151 0.862 ( 1.801 -0.000 7.659) 7.868 0.971 ( -3.059 0.000 0.792) 3.159 1.002 ( -1.224 0.000 1.734) 2.123 1.122 ( 3.332 -0.000 -2.272) 4.033 1.258 ( -1.048 0.000 -0.741) 1.284 1.277 ( 2.237 -0.000 0.196) 2.245 1.324 ( 0.717 -0.000 2.999) 3.084 1.332 ( 5.690 -0.000 0.472) 5.709 1.340 ( 2.523 -0.000 -1.583) 2.978 1.410 ( -2.224 0.000 -0.838) 2.377 1.444 ( -0.561 0.000 0.879) 1.043 1.486 ( 0.640 -0.000 -0.233) 0.681 1.501 ( -0.200 0.000 -1.601) 1.613 1.624 ( 3.623 -0.000 -4.655) 5.898 1.681 ( 1.549 -0.000 1.561) 2.199 1.715 ( 3.567 -0.000 0.433) 3.593 1.948 ( -1.814 0.000 -0.194) 1.825 1.982 ( 1.921 -0.000 3.289) 3.809 2.231 ( -2.235 0.000 2.479) 3.338 2.294 ( -2.849 0.000 -0.004) 2.849 2.317 ( 1.388 -0.000 -0.558) 1.496 2.343 ( 0.118 -0.000 0.542) 0.555 2.370 ( 1.487 -0.000 -0.632) 1.616 2.402 ( -2.383 0.000 -0.617) 2.462 2.411 ( 1.829 -0.000 -1.324) 2.258 2.458 ( 1.606 -0.000 0.042) 1.607 2.593 ( -0.323 0.000 0.569) 0.654 2.608 ( -1.898 0.000 -2.163) 2.878 2.645 ( 3.477 -0.000 3.677) 5.060 2.665 ( -3.076 0.000 -4.696) 5.614 2.751 ( 0.805 -0.000 -0.515) 0.955 2.759 ( 1.153 -0.000 -2.759) 2.990 2.836 ( 0.007 -0.000 2.590) 2.590 2.910 ( 0.946 -0.000 -2.964) 3.112 3.033 ( -3.339 0.000 1.992) 3.888 3.106 ( -0.284 0.000 1.367) 1.396 3.166 ( 0.988 -0.000 4.892) 4.991 3.204 ( -0.726 0.000 3.545) 3.619 3.240 ( -3.570 0.000 -2.696) 4.474 3.279 ( -1.108 0.000 -0.261) 1.138 3.344 ( 0.445 -0.000 0.152) 0.470 3.376 ( 2.191 -0.000 5.640) 6.050 3.427 ( 0.311 -0.000 -0.011) 0.311 3.452 ( -0.685 0.000 -0.711) 0.988 3.471 ( 1.554 -0.000 -0.755) 1.728 3.472 ( -0.150 0.000 -0.095) 0.178 3.490 ( 1.066 -0.000 -0.272) 1.101 3.522 ( 0.706 -0.000 -4.932) 4.982 3.604 ( -1.495 0.000 1.397) 2.046 3.673 ( 0.578 -0.000 -1.238) 1.366 3.743 ( -0.585 0.000 0.523) 0.785 3.763 ( 0.432 -0.000 0.180) 0.468 3.798 ( -0.487 0.000 0.227) 0.538 3.816 ( 0.870 -0.000 0.374) 0.947 3.908 ( -0.166 0.000 -0.097) 0.192 3.910 ( -0.036 0.000 0.139) 0.144 4.294 ( 0.177 -0.000 0.316) 0.362 4.299 ( -0.045 0.000 -0.188) 0.193 4.391 ( -0.901 0.000 -0.196) 0.922 4.406 ( 0.027 -0.000 0.508) 0.508 4.427 ( -0.176 0.000 -0.633) 0.657 4.434 ( 0.013 -0.000 0.253) 0.253 4.447 ( 0.815 -0.000 0.083) 0.820 4.455 ( 0.557 -0.000 -0.236) 0.605 4.836 ( -0.373 0.000 0.372) 0.526 4.854 ( 0.023 -0.000 -0.345) 0.346 5.042 ( -0.396 0.000 -0.122) 0.415 5.045 ( 0.141 -0.000 0.016) 0.142 5.051 ( 0.314 -0.000 0.153) 0.349 5.056 ( 0.172 -0.000 -0.063) 0.183 5.123 ( -0.267 0.000 -0.154) 0.308 5.126 ( 0.232 -0.000 0.213) 0.315 7.331 ( -0.116 0.000 0.176) 0.211 7.347 ( 0.531 -0.000 -0.218) 0.575 7.385 ( -0.178 0.000 0.388) 0.427 7.396 ( -0.255 0.000 -0.334) 0.420 7.933 ( -0.404 0.000 0.832) 0.925 7.977 ( 0.432 -0.000 -1.384) 1.450 8.017 ( -0.259 0.000 1.254) 1.281 8.043 ( 0.430 -0.000 0.073) 0.436 8.134 ( -0.113 0.000 0.340) 0.358 8.167 ( 0.044 -0.000 -1.616) 1.616 8.198 ( -1.939 0.000 -0.554) 2.017 8.212 ( 1.801 -0.000 3.731) 4.143 8.299 ( 0.608 -0.000 1.914) 2.009 8.381 ( 0.406 -0.000 -5.170) 5.186 8.461 ( -1.651 0.000 -0.413) 1.702 8.493 ( 0.521 -0.000 -0.031) 0.522 ======================= Grid point 146 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -5.091 -8.690 5.443) 11.448 0.477 ( -11.373 -6.988 1.730) 13.460 0.529 ( -0.918 -4.430 -2.902) 5.375 0.669 ( -2.899 -16.451 0.765) 16.722 0.711 ( 0.161 -5.441 -3.003) 6.217 0.793 ( -0.340 -16.070 -2.352) 16.245 0.851 ( -0.532 -15.154 -0.246) 15.166 0.878 ( -0.067 -6.791 2.621) 7.280 0.896 ( -4.269 -4.548 2.696) 6.796 1.014 ( -0.584 -7.773 -0.050) 7.795 1.040 ( 0.514 -2.761 0.916) 2.954 1.102 ( 1.790 -0.091 -1.036) 2.070 1.217 ( -1.440 2.326 -0.485) 2.779 1.257 ( -0.460 2.439 1.570) 2.937 1.312 ( 1.563 -0.468 -1.981) 2.566 1.323 ( -1.206 0.142 0.876) 1.497 1.392 ( 4.165 -1.222 1.406) 4.562 1.419 ( -0.403 0.899 0.376) 1.055 1.444 ( 0.751 1.415 -0.176) 1.611 1.484 ( 0.842 -1.441 -0.174) 1.678 1.495 ( 0.886 -0.007 -1.691) 1.909 1.611 ( 3.116 2.368 -3.333) 5.140 1.665 ( 0.816 1.897 -0.968) 2.281 1.701 ( 4.186 2.663 1.125) 5.087 1.934 ( -1.023 0.639 0.015) 1.207 1.954 ( -0.535 2.345 2.369) 3.376 2.212 ( -2.758 1.479 0.063) 3.130 2.283 ( -0.219 -0.397 0.683) 0.819 2.313 ( -1.055 -0.081 0.773) 1.310 2.371 ( -0.027 -1.537 -0.515) 1.621 2.393 ( -0.406 -0.911 -1.481) 1.786 2.433 ( 0.651 -1.714 -0.329) 1.862 2.444 ( 3.043 -4.096 1.431) 5.300 2.474 ( 1.278 -0.813 0.343) 1.552 2.578 ( -4.529 0.674 -3.844) 5.979 2.596 ( 0.006 -0.191 0.411) 0.453 2.623 ( 0.405 0.776 -0.397) 0.961 2.693 ( 2.502 -0.695 1.059) 2.805 2.747 ( 1.624 0.447 -0.773) 1.854 2.780 ( 1.598 -1.496 -1.697) 2.770 2.852 ( -0.102 -0.872 2.684) 2.824 2.918 ( 1.157 -0.832 -2.741) 3.089 3.004 ( -3.422 2.044 2.061) 4.488 3.090 ( -1.170 1.730 0.774) 2.227 3.166 ( -0.523 2.585 2.474) 3.616 3.177 ( 0.166 1.646 0.977) 1.921 3.213 ( -2.546 1.158 -1.558) 3.201 3.258 ( -0.476 3.269 0.399) 3.328 3.308 ( -1.456 1.301 2.792) 3.407 3.355 ( -0.261 1.975 2.962) 3.569 3.388 ( -0.224 4.857 0.167) 4.865 3.421 ( 0.025 3.820 1.140) 3.986 3.428 ( 0.037 3.249 -0.622) 3.308 3.454 ( 0.441 3.705 0.426) 3.756 3.471 ( 2.179 0.585 -1.495) 2.707 3.505 ( 1.552 1.167 -3.794) 4.262 3.618 ( -1.364 -1.645 1.166) 2.435 3.687 ( 0.277 -1.510 -1.592) 2.212 3.758 ( -0.667 -1.647 0.655) 1.894 3.788 ( 0.427 -1.983 0.063) 2.029 3.807 ( -0.435 -1.051 0.113) 1.143 3.826 ( 0.547 -0.669 0.115) 0.871 3.918 ( -0.327 -1.166 -0.124) 1.217 3.929 ( 0.316 -1.570 0.499) 1.677 4.285 ( 0.192 0.969 0.357) 1.050 4.291 ( 0.042 0.755 -0.290) 0.810 4.401 ( -0.096 0.839 -0.046) 0.846 4.405 ( -0.052 -1.347 0.009) 1.348 4.423 ( -0.321 0.489 -0.010) 0.585 4.424 ( -0.487 -1.819 0.048) 1.884 4.485 ( -0.084 -3.146 -0.260) 3.158 4.496 ( 0.676 -2.893 -0.007) 2.971 4.829 ( -0.263 0.647 0.303) 0.762 4.846 ( 0.185 0.820 -0.268) 0.882 5.032 ( -0.161 1.895 0.012) 1.902 5.033 ( -0.233 1.786 -0.022) 1.801 5.058 ( -0.005 -0.975 -0.027) 0.975 5.073 ( 1.184 -1.622 -0.129) 2.012 5.131 ( -0.114 -1.075 -0.103) 1.086 5.138 ( 0.263 -1.011 0.044) 1.045 7.336 ( -0.024 -0.562 0.177) 0.590 7.352 ( 0.500 -0.398 -0.260) 0.689 7.389 ( -0.456 -0.427 0.232) 0.667 7.398 ( -0.230 -0.536 -0.197) 0.615 7.970 ( 1.252 -2.548 -0.450) 2.875 7.981 ( 0.462 -0.669 -1.145) 1.404 8.017 ( -0.276 0.086 1.663) 1.688 8.050 ( 0.597 -0.331 0.412) 0.797 8.131 ( -0.267 0.331 0.405) 0.587 8.152 ( -1.674 1.193 -0.759) 2.191 8.164 ( -1.029 0.445 -0.463) 1.213 8.239 ( 2.147 0.007 0.976) 2.358 8.334 ( 1.440 -1.637 1.738) 2.788 8.382 ( 0.566 -1.017 -4.182) 4.341 8.450 ( -1.676 0.050 0.735) 1.831 8.497 ( 0.169 0.139 -0.495) 0.541 ======================= Grid point 147 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -3.348 -9.588 3.580) 10.768 0.526 ( -10.449 -4.822 1.789) 11.646 0.621 ( -0.817 -5.965 -1.121) 6.125 0.717 ( 0.051 -2.294 -1.589) 2.791 0.870 ( -1.035 -1.720 1.624) 2.582 0.907 ( 0.418 -0.239 -1.211) 1.304 0.971 ( 0.634 -1.470 -0.260) 1.622 0.998 ( 0.581 -2.930 -0.324) 3.005 1.023 ( 0.159 3.071 0.676) 3.148 1.076 ( 0.111 1.550 -0.670) 1.692 1.219 ( -1.960 -10.504 0.482) 10.696 1.249 ( -0.909 -7.219 -0.836) 7.324 1.280 ( -0.144 -6.093 1.381) 6.249 1.304 ( 0.771 -0.852 -0.718) 1.355 1.349 ( 0.043 -6.172 -1.075) 6.265 1.386 ( 0.423 -0.631 -0.428) 0.872 1.414 ( -0.859 -12.146 3.403) 12.642 1.431 ( 2.545 -5.304 0.457) 5.900 1.446 ( 0.822 -6.002 0.499) 6.079 1.514 ( 0.699 -2.692 -2.537) 3.765 1.519 ( -0.658 -3.473 0.429) 3.561 1.578 ( 0.658 -3.154 -1.908) 3.745 1.656 ( 1.898 -1.216 -1.307) 2.605 1.687 ( 4.199 -0.262 1.644) 4.517 1.922 ( -0.395 0.331 0.929) 1.062 1.931 ( -0.555 0.338 0.058) 0.652 2.175 ( -2.520 0.977 0.211) 2.711 2.291 ( 0.838 0.198 0.322) 0.920 2.317 ( -1.642 -0.807 1.429) 2.322 2.385 ( -0.548 -0.493 -0.609) 0.956 2.419 ( 0.692 -1.498 -0.972) 1.915 2.460 ( 0.358 -0.956 -2.256) 2.476 2.498 ( -0.393 -1.857 1.017) 2.153 2.524 ( 1.303 -2.583 1.631) 3.321 2.547 ( -1.532 0.136 -1.988) 2.514 2.601 ( 0.591 -0.097 0.217) 0.637 2.620 ( 0.415 -0.046 -0.406) 0.582 2.699 ( 0.323 0.984 0.859) 1.346 2.742 ( 1.582 0.900 -0.028) 1.821 2.805 ( 2.224 -0.436 -2.117) 3.101 2.873 ( -0.746 -0.627 1.953) 2.182 2.925 ( 0.975 0.242 -2.046) 2.279 2.959 ( -1.742 1.104 2.021) 2.888 3.038 ( -1.051 3.282 -0.766) 3.530 3.100 ( -1.581 3.450 -0.473) 3.824 3.129 ( -1.397 4.520 -2.730) 5.462 3.159 ( 0.088 3.555 2.585) 4.397 3.195 ( 0.939 4.544 1.729) 4.951 3.271 ( -0.742 5.809 1.109) 5.960 3.295 ( -0.022 4.679 0.859) 4.758 3.311 ( -1.082 3.749 0.435) 3.926 3.314 ( -1.193 4.265 2.111) 4.906 3.383 ( 0.706 1.507 0.654) 1.789 3.404 ( -0.884 0.805 0.360) 1.249 3.466 ( 2.554 1.061 -1.989) 3.406 3.478 ( 1.242 0.976 -2.271) 2.767 3.650 ( -1.050 -1.998 0.870) 2.419 3.716 ( 0.360 -1.689 -1.433) 2.244 3.791 ( -0.444 -1.785 0.835) 2.020 3.826 ( 0.189 -1.728 0.022) 1.738 3.830 ( -0.096 -1.539 -0.043) 1.543 3.847 ( 0.138 -1.419 -0.123) 1.431 3.944 ( -0.294 -1.779 0.168) 1.811 3.966 ( 0.314 -1.924 0.224) 1.962 4.267 ( 0.091 1.119 0.285) 1.158 4.274 ( 0.159 1.052 -0.264) 1.096 4.391 ( -0.106 0.370 -0.038) 0.387 4.400 ( 0.022 0.740 0.105) 0.748 4.455 ( -0.374 -2.872 -0.059) 2.897 4.468 ( -0.144 -2.832 0.001) 2.835 4.550 ( -0.335 -4.025 -0.182) 4.044 4.561 ( 0.297 -3.818 0.093) 3.831 4.814 ( -0.012 0.990 0.148) 1.001 4.828 ( 0.369 1.109 -0.140) 1.177 4.983 ( -0.399 2.993 0.022) 3.020 4.986 ( -0.420 2.977 -0.017) 3.006 5.076 ( -0.091 -0.952 0.072) 0.959 5.099 ( 0.825 -0.769 -0.283) 1.163 5.155 ( 0.120 -1.220 0.045) 1.227 5.160 ( 0.259 -1.100 -0.046) 1.131 7.352 ( 0.078 -1.032 0.162) 1.047 7.364 ( 0.393 -0.698 -0.344) 0.871 7.400 ( -0.525 -0.912 0.097) 1.057 7.409 ( -0.150 -0.572 -0.040) 0.593 7.988 ( 0.001 -0.546 -0.820) 0.985 8.010 ( 1.015 -0.902 -1.043) 1.712 8.024 ( -0.375 -0.485 1.361) 1.493 8.062 ( 0.908 -0.336 0.676) 1.181 8.130 ( -0.360 -0.482 0.883) 1.068 8.132 ( -0.871 0.413 -0.266) 1.000 8.154 ( -0.603 0.195 -0.702) 0.946 8.243 ( 1.663 0.398 -0.122) 1.715 8.362 ( 0.769 -0.800 0.217) 1.130 8.388 ( 0.300 -0.183 -1.658) 1.695 8.450 ( -0.813 -0.217 1.016) 1.320 8.483 ( -0.423 0.924 -0.514) 1.139 ======================= Grid point 155 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.215 ( -3.983 0.000 13.850) 14.411 0.218 ( -9.995 0.000 4.313) 10.886 0.453 ( -19.236 0.000 7.000) 20.470 0.465 ( 1.565 -0.000 -3.698) 4.015 0.596 ( -0.360 0.000 -2.477) 2.503 0.659 ( 3.174 -0.000 -1.786) 3.642 0.667 ( 1.703 -0.000 -1.667) 2.383 0.748 ( -6.604 0.000 -3.094) 7.293 0.902 ( -2.125 0.000 4.412) 4.897 0.960 ( 1.294 -0.000 0.595) 1.425 1.005 ( 0.128 -0.000 0.696) 0.708 1.137 ( 2.927 -0.000 -3.177) 4.320 1.243 ( -1.361 0.000 -0.267) 1.387 1.288 ( 0.343 -0.000 -0.245) 0.422 1.317 ( -2.846 0.000 3.490) 4.503 1.356 ( -0.081 0.000 -2.278) 2.280 1.382 ( 5.221 -0.000 -1.461) 5.422 1.408 ( 1.854 -0.000 2.078) 2.784 1.444 ( -0.759 0.000 1.007) 1.261 1.492 ( 0.863 -0.000 -0.286) 0.909 1.495 ( 0.448 -0.000 -1.016) 1.110 1.636 ( 3.859 -0.000 -3.394) 5.139 1.698 ( 1.274 -0.000 -0.051) 1.275 1.746 ( 3.536 -0.000 -0.627) 3.591 1.936 ( -0.687 0.000 0.084) 0.692 2.012 ( 1.494 -0.000 0.767) 1.679 2.219 ( -1.972 0.000 0.500) 2.034 2.273 ( -2.487 0.000 1.652) 2.986 2.304 ( -1.966 0.000 -2.923) 3.523 2.348 ( 0.067 -0.000 0.441) 0.446 2.384 ( -1.473 0.000 0.714) 1.638 2.389 ( 2.060 -0.000 0.135) 2.064 2.420 ( 1.532 -0.000 -1.320) 2.022 2.477 ( 1.701 -0.000 0.566) 1.793 2.554 ( -4.119 0.000 -3.880) 5.659 2.593 ( -0.455 0.000 0.504) 0.679 2.654 ( 2.971 -0.000 0.077) 2.972 2.683 ( 0.853 -0.000 2.408) 2.554 2.758 ( 1.177 -0.000 -0.223) 1.198 2.760 ( 0.918 -0.000 -1.034) 1.383 2.852 ( 0.576 -0.000 2.731) 2.791 2.911 ( 2.317 -0.000 -2.259) 3.235 3.011 ( -3.798 0.000 1.555) 4.104 3.106 ( -1.792 0.000 2.353) 2.958 3.187 ( -1.679 0.000 -3.621) 3.991 3.200 ( -1.227 0.000 -0.413) 1.295 3.205 ( -0.422 0.000 4.285) 4.306 3.270 ( -1.360 0.000 0.799) 1.578 3.347 ( 0.097 -0.000 0.073) 0.121 3.430 ( 0.239 -0.000 -0.098) 0.258 3.439 ( -1.084 0.000 -1.043) 1.505 3.443 ( 3.630 -0.000 6.446) 7.398 3.470 ( -0.128 0.000 -0.006) 0.128 3.483 ( 1.814 -0.000 -0.992) 2.067 3.509 ( 3.229 -0.000 2.810) 4.281 3.512 ( 2.242 -0.000 -3.424) 4.092 3.598 ( -1.528 0.000 1.580) 2.198 3.669 ( 0.098 -0.000 -1.678) 1.681 3.743 ( -0.220 0.000 0.622) 0.660 3.766 ( 0.244 -0.000 0.002) 0.244 3.794 ( -0.450 0.000 0.006) 0.450 3.824 ( 0.636 -0.000 -0.062) 0.639 3.908 ( -0.033 0.000 0.147) 0.151 3.916 ( 0.818 -0.000 1.143) 1.405 4.297 ( 0.086 -0.000 0.195) 0.213 4.298 ( 0.009 -0.000 -0.174) 0.174 4.384 ( -0.587 0.000 -0.057) 0.590 4.405 ( -0.577 0.000 0.208) 0.613 4.424 ( 0.191 -0.000 -0.559) 0.590 4.435 ( -0.062 0.000 0.213) 0.222 4.453 ( 0.601 -0.000 -0.043) 0.603 4.458 ( 0.465 -0.000 -0.396) 0.611 4.835 ( -0.410 0.000 0.354) 0.542 4.852 ( 0.013 -0.000 -0.341) 0.342 5.038 ( -0.304 0.000 -0.038) 0.306 5.046 ( 0.131 -0.000 -0.038) 0.137 5.055 ( 0.261 -0.000 0.068) 0.270 5.057 ( 0.073 -0.000 -0.145) 0.163 5.118 ( -0.460 0.000 -0.423) 0.625 5.128 ( 0.089 -0.000 0.073) 0.115 7.331 ( -0.056 0.000 0.165) 0.174 7.350 ( 0.550 -0.000 -0.272) 0.613 7.385 ( -0.301 0.000 0.281) 0.412 7.391 ( -0.455 0.000 -0.486) 0.665 7.932 ( -0.566 0.000 0.558) 0.795 7.971 ( 0.138 -0.000 -1.652) 1.658 8.024 ( 0.072 -0.000 1.598) 1.600 8.048 ( 0.528 -0.000 0.134) 0.545 8.134 ( -0.324 0.000 0.138) 0.352 8.159 ( 0.030 -0.000 -1.541) 1.541 8.180 ( -1.323 0.000 -0.602) 1.454 8.245 ( 0.911 -0.000 0.402) 0.995 8.312 ( 0.126 -0.000 1.851) 1.855 8.349 ( -0.488 0.000 -4.772) 4.797 8.444 ( -1.837 0.000 0.488) 1.901 8.497 ( 0.306 -0.000 0.005) 0.306 ======================= Grid point 156 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( -2.180 -7.509 9.981) 12.679 0.376 ( -13.778 -5.837 4.572) 15.647 0.510 ( -0.452 -5.364 -2.327) 5.864 0.656 ( -0.989 -17.766 2.301) 17.942 0.697 ( -0.754 -7.819 -1.029) 7.922 0.779 ( 0.253 -15.793 -2.074) 15.931 0.840 ( -2.917 -12.076 -0.390) 12.429 0.866 ( 1.106 -13.741 -0.961) 13.819 0.901 ( -1.483 -2.294 1.072) 2.934 1.007 ( -0.870 -6.524 0.629) 6.612 1.052 ( 1.975 -2.448 -1.017) 3.306 1.119 ( 2.131 -1.376 -0.172) 2.543 1.195 ( -2.390 3.356 -0.315) 4.132 1.252 ( -1.938 2.923 0.864) 3.612 1.314 ( 0.457 -0.874 -0.571) 1.139 1.325 ( 0.762 1.242 0.588) 1.571 1.409 ( -1.828 -1.173 1.373) 2.569 1.432 ( 2.030 -0.006 0.700) 2.147 1.449 ( 0.795 1.722 -0.502) 1.962 1.489 ( 0.732 -1.339 -0.935) 1.790 1.503 ( 1.722 -0.022 0.140) 1.728 1.620 ( 2.546 2.940 -2.860) 4.828 1.670 ( 1.785 2.105 -0.933) 2.913 1.741 ( 3.415 1.832 0.530) 3.911 1.929 ( -0.305 0.487 -0.059) 0.577 1.953 ( -2.388 2.501 1.725) 3.865 2.192 ( -1.621 1.608 0.384) 2.315 2.284 ( -0.169 -0.725 0.033) 0.745 2.303 ( -1.612 -0.676 0.534) 1.828 2.371 ( 0.384 -1.137 -0.079) 1.203 2.381 ( -0.460 -1.596 -1.607) 2.311 2.434 ( 0.520 -1.126 -2.074) 2.417 2.461 ( -0.807 -3.368 -0.736) 3.541 2.490 ( 1.755 -1.074 1.448) 2.516 2.536 ( -0.684 -0.308 -1.124) 1.351 2.598 ( -0.018 -0.543 0.552) 0.775 2.629 ( 0.742 1.472 0.486) 1.719 2.716 ( 1.812 0.058 -0.292) 1.837 2.762 ( 1.289 0.333 -0.014) 1.331 2.784 ( 1.749 -1.936 -2.033) 3.308 2.867 ( 0.434 -0.356 2.681) 2.739 2.921 ( 2.184 -0.325 -1.785) 2.840 2.981 ( -3.825 1.534 1.592) 4.418 3.082 ( -1.918 2.150 1.529) 3.262 3.146 ( -2.313 2.245 -2.650) 4.173 3.169 ( -0.863 2.230 -1.946) 3.083 3.210 ( 0.724 1.211 3.080) 3.388 3.262 ( -1.035 1.803 2.369) 3.152 3.311 ( -1.285 1.788 2.681) 3.470 3.367 ( -0.634 2.684 2.924) 4.019 3.386 ( -0.168 4.673 -0.296) 4.686 3.422 ( -0.396 4.104 -0.059) 4.123 3.430 ( -0.009 3.575 1.077) 3.734 3.458 ( -0.260 4.277 0.443) 4.307 3.482 ( 1.809 0.740 -0.599) 2.044 3.513 ( 3.218 1.673 -1.717) 4.013 3.613 ( -1.232 -1.653 1.259) 2.416 3.681 ( 0.238 -1.628 -1.614) 2.305 3.756 ( -0.490 -1.792 0.682) 1.979 3.792 ( 0.261 -2.028 -0.052) 2.045 3.802 ( -0.422 -1.037 -0.103) 1.124 3.830 ( 0.258 -0.522 -0.269) 0.641 3.916 ( -0.055 -1.082 0.240) 1.110 3.935 ( 0.182 -1.304 0.770) 1.525 4.288 ( 0.075 0.927 0.222) 0.956 4.291 ( 0.139 0.730 -0.217) 0.774 4.401 ( 0.010 0.840 0.028) 0.841 4.404 ( -0.126 -2.115 -0.057) 2.119 4.420 ( -0.133 1.174 -0.017) 1.181 4.421 ( -0.283 -1.760 0.036) 1.783 4.482 ( -0.329 -3.025 -0.100) 3.044 4.501 ( 0.383 -2.936 -0.112) 2.963 4.828 ( -0.253 0.555 0.291) 0.676 4.846 ( 0.166 0.707 -0.310) 0.789 5.029 ( -0.195 1.988 -0.087) 2.000 5.032 ( -0.131 2.087 0.069) 2.092 5.057 ( 0.030 -0.964 -0.049) 0.966 5.081 ( 1.145 -1.696 -0.879) 2.227 5.130 ( -0.065 -1.359 -0.047) 1.361 5.140 ( 0.149 -1.048 -0.018) 1.059 7.337 ( 0.001 -0.599 0.154) 0.618 7.355 ( 0.487 -0.348 -0.333) 0.685 7.385 ( -0.549 -0.349 0.125) 0.662 7.395 ( -0.225 -0.689 -0.177) 0.746 7.972 ( 0.418 -0.935 -1.577) 1.881 7.984 ( 1.461 -2.286 -1.339) 3.026 8.025 ( -0.112 0.211 1.784) 1.799 8.060 ( 1.222 -0.667 0.473) 1.471 8.120 ( -2.718 0.796 -0.222) 2.841 8.140 ( -0.631 0.406 0.667) 1.004 8.155 ( -0.013 0.245 -0.946) 0.977 8.254 ( 0.475 -0.086 -0.751) 0.893 8.352 ( 0.737 -0.836 -2.050) 2.333 8.367 ( 1.539 -2.035 -1.142) 2.796 8.443 ( -0.795 -0.386 1.414) 1.667 8.495 ( -0.178 0.486 -0.277) 0.586 ======================= Grid point 165 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.180 ( -5.282 0.000 8.745) 10.217 0.230 ( -10.686 0.000 8.723) 13.794 0.369 ( -8.698 0.000 18.310) 20.271 0.464 ( 1.518 -0.000 -2.652) 3.056 0.579 ( -0.457 0.000 -2.832) 2.869 0.676 ( 0.415 -0.000 -0.395) 0.572 0.679 ( 2.753 -0.000 -1.943) 3.370 0.690 ( -0.927 0.000 -2.564) 2.726 0.874 ( -4.932 0.000 -0.500) 4.958 0.990 ( 2.012 -0.000 2.015) 2.847 1.007 ( 0.043 -0.000 -0.776) 0.777 1.137 ( 1.346 -0.000 -4.283) 4.490 1.237 ( -0.341 0.000 1.172) 1.220 1.286 ( -0.745 0.000 0.626) 0.973 1.312 ( -1.886 0.000 2.145) 2.856 1.337 ( -0.861 0.000 -1.514) 1.741 1.413 ( 3.267 -0.000 -0.794) 3.362 1.433 ( -0.207 0.000 2.358) 2.367 1.441 ( -0.117 0.000 0.069) 0.136 1.495 ( 0.266 -0.000 -1.002) 1.037 1.500 ( 1.298 -0.000 0.078) 1.301 1.651 ( 2.543 -0.000 -2.812) 3.791 1.706 ( 1.376 -0.000 -0.420) 1.439 1.769 ( 2.509 -0.000 -0.984) 2.695 1.934 ( -0.141 0.000 -0.035) 0.145 1.988 ( -5.762 0.000 -3.563) 6.774 2.206 ( -1.321 0.000 0.412) 1.384 2.269 ( -0.930 0.000 2.875) 3.021 2.276 ( -0.327 0.000 -1.090) 1.138 2.346 ( -0.525 0.000 -0.161) 0.549 2.385 ( -0.226 0.000 2.010) 2.022 2.393 ( -0.360 0.000 -1.517) 1.559 2.423 ( 1.132 -0.000 -1.390) 1.793 2.491 ( 1.032 -0.000 0.738) 1.269 2.530 ( 0.753 -0.000 -0.367) 0.838 2.591 ( -0.355 0.000 0.489) 0.605 2.683 ( -1.789 0.000 -0.134) 1.794 2.697 ( 4.910 -0.000 -1.529) 5.143 2.762 ( 0.804 -0.000 -0.624) 1.018 2.767 ( 0.630 -0.000 0.246) 0.677 2.878 ( 1.976 -0.000 2.944) 3.546 2.928 ( 3.423 -0.000 -1.158) 3.613 2.981 ( -4.399 0.000 1.688) 4.711 3.097 ( -2.726 0.000 1.567) 3.144 3.147 ( -2.105 0.000 -2.764) 3.474 3.194 ( 1.285 -0.000 -0.448) 1.360 3.233 ( 0.860 -0.000 3.820) 3.916 3.262 ( -1.714 0.000 1.167) 2.073 3.346 ( -0.303 0.000 -0.134) 0.331 3.422 ( -0.475 0.000 -1.991) 2.047 3.432 ( 0.003 -0.000 0.316) 0.316 3.464 ( -0.047 0.000 -0.459) 0.461 3.478 ( 0.745 -0.000 0.446) 0.868 3.488 ( 0.813 -0.000 -1.473) 1.682 3.528 ( 3.691 -0.000 -1.301) 3.913 3.577 ( 3.076 -0.000 3.017) 4.308 3.595 ( -1.151 0.000 1.926) 2.244 3.660 ( 0.516 -0.000 -1.627) 1.707 3.743 ( -0.582 0.000 0.372) 0.691 3.767 ( -0.027 0.000 -0.239) 0.240 3.791 ( -0.126 0.000 0.062) 0.140 3.826 ( 0.125 -0.000 -0.556) 0.570 3.910 ( 0.146 -0.000 0.473) 0.494 3.939 ( 2.459 -0.000 0.891) 2.616 4.298 ( 0.076 0.000 -0.106) 0.130 4.298 ( -0.060 0.000 0.046) 0.075 4.380 ( -0.216 0.000 0.078) 0.230 4.399 ( -0.592 0.000 -0.195) 0.623 4.423 ( -0.120 0.000 -0.004) 0.120 4.436 ( -0.055 0.000 0.223) 0.230 4.456 ( -0.055 0.000 -0.418) 0.422 4.457 ( 0.038 0.000 -0.353) 0.355 4.833 ( -0.338 0.000 0.351) 0.487 4.851 ( 0.078 -0.000 -0.343) 0.351 5.037 ( -0.121 0.000 0.052) 0.131 5.047 ( 0.085 -0.000 -0.076) 0.114 5.054 ( -0.467 0.000 -0.273) 0.541 5.056 ( 0.098 -0.000 -0.026) 0.102 5.112 ( -0.349 0.000 -0.093) 0.361 5.128 ( -0.071 0.000 -0.089) 0.113 7.331 ( -0.027 0.000 0.189) 0.191 7.353 ( 0.396 -0.000 -0.348) 0.527 7.383 ( -0.348 0.000 0.145) 0.377 7.384 ( -0.420 0.000 -0.339) 0.540 7.929 ( -0.625 0.000 0.281) 0.685 7.963 ( 0.049 -0.000 -1.796) 1.797 8.036 ( 0.658 -0.000 1.967) 2.074 8.053 ( 0.272 -0.000 0.167) 0.319 8.128 ( -1.331 0.000 -0.845) 1.577 8.152 ( 0.287 -0.000 -1.466) 1.494 8.170 ( -0.294 0.000 -0.495) 0.576 8.180 ( -9.028 0.000 -4.365) 10.028 8.320 ( -0.431 0.000 1.725) 1.777 8.371 ( 5.223 -0.000 0.550) 5.252 8.442 ( 0.437 -0.000 2.209) 2.252 8.498 ( 0.048 -0.000 -0.056) 0.074 ======================= Grid point 166 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 4.678 -0.000 -3.695) 5.961 0.330 ( -4.678 0.000 3.695) 5.961 0.444 ( 1.285 -0.000 -5.516) 5.663 0.444 ( -1.285 0.000 5.516) 5.663 0.649 ( 0.158 -0.000 -0.632) 0.652 0.649 ( -0.158 0.000 0.632) 0.652 0.733 ( -6.456 0.000 1.422) 6.611 0.733 ( 6.456 -0.000 -1.422) 6.611 0.848 ( 1.882 -0.000 -10.915) 11.076 0.848 ( -1.882 0.000 10.915) 11.076 1.045 ( -0.914 0.000 -1.882) 2.092 1.045 ( 0.914 -0.000 1.882) 2.092 1.284 ( -1.166 0.000 -0.949) 1.503 1.284 ( 1.166 -0.000 0.949) 1.503 1.319 ( 1.801 -0.000 -0.659) 1.917 1.319 ( -1.801 0.000 0.659) 1.917 1.438 ( -2.248 0.000 0.253) 2.262 1.438 ( 2.248 -0.000 -0.253) 2.262 1.462 ( 0.460 -0.000 -0.626) 0.777 1.462 ( -0.460 0.000 0.626) 0.777 1.561 ( -1.720 0.000 -3.386) 3.797 1.561 ( 1.720 -0.000 3.386) 3.797 1.749 ( -2.103 0.000 -1.100) 2.373 1.749 ( 2.103 -0.000 1.100) 2.373 1.924 ( -1.260 0.000 0.273) 1.289 1.924 ( 1.260 -0.000 -0.273) 1.289 2.230 ( 2.092 -0.000 -2.573) 3.316 2.230 ( -2.092 0.000 2.573) 3.316 2.352 ( -0.009 0.000 -1.024) 1.024 2.352 ( 0.009 -0.000 1.024) 1.024 2.372 ( -0.709 0.000 -3.810) 3.876 2.372 ( 0.709 -0.000 3.810) 3.876 2.446 ( -1.384 0.000 -2.165) 2.570 2.446 ( 1.384 -0.000 2.165) 2.570 2.598 ( -2.465 0.000 -1.048) 2.679 2.598 ( 2.465 -0.000 1.048) 2.679 2.634 ( 1.659 -0.000 -1.072) 1.976 2.634 ( -1.659 0.000 1.072) 1.976 2.767 ( -1.436 0.000 -0.010) 1.436 2.767 ( 1.436 -0.000 0.010) 1.436 2.945 ( 1.099 -0.000 -0.730) 1.319 2.945 ( -1.099 0.000 0.730) 1.319 3.009 ( 0.383 -0.000 -3.259) 3.281 3.009 ( -0.383 0.000 3.259) 3.281 3.186 ( 2.641 -0.000 -3.044) 4.030 3.186 ( -2.641 0.000 3.044) 4.030 3.279 ( 0.454 -0.000 -0.667) 0.807 3.279 ( -0.454 0.000 0.667) 0.807 3.364 ( 1.071 -0.000 -2.178) 2.427 3.364 ( -1.071 0.000 2.178) 2.427 3.442 ( -0.120 0.000 -0.772) 0.782 3.442 ( 0.120 -0.000 0.772) 0.782 3.477 ( 0.171 -0.000 -0.173) 0.243 3.477 ( -0.171 0.000 0.173) 0.243 3.552 ( -5.204 0.000 0.100) 5.205 3.552 ( 5.204 -0.000 -0.100) 5.205 3.639 ( 0.228 -0.000 -1.505) 1.523 3.639 ( -0.228 0.000 1.505) 1.523 3.752 ( -0.083 0.000 -0.650) 0.655 3.752 ( 0.083 -0.000 0.650) 0.655 3.804 ( -0.368 0.000 -0.715) 0.804 3.804 ( 0.368 -0.000 0.715) 0.804 3.930 ( -0.354 0.000 -0.816) 0.889 3.930 ( 0.354 -0.000 0.816) 0.889 4.297 ( -0.237 0.000 0.046) 0.241 4.297 ( 0.237 -0.000 -0.046) 0.241 4.386 ( -0.313 0.000 -0.344) 0.465 4.386 ( 0.313 -0.000 0.344) 0.465 4.439 ( -0.476 0.000 -0.276) 0.550 4.439 ( 0.476 -0.000 0.276) 0.550 4.447 ( 0.026 -0.000 -0.046) 0.053 4.447 ( -0.026 0.000 0.046) 0.053 4.841 ( 0.279 -0.000 -0.494) 0.567 4.841 ( -0.279 0.000 0.494) 0.567 5.041 ( -0.160 0.000 -0.243) 0.291 5.041 ( 0.160 -0.000 0.243) 0.291 5.054 ( -0.124 0.000 -0.134) 0.183 5.054 ( 0.124 -0.000 0.134) 0.183 5.120 ( -0.333 0.000 -0.343) 0.478 5.120 ( 0.333 -0.000 0.343) 0.478 7.340 ( -0.026 0.000 -0.547) 0.547 7.340 ( 0.026 -0.000 0.547) 0.547 7.381 ( -0.435 0.000 0.068) 0.440 7.381 ( 0.435 -0.000 -0.068) 0.440 7.933 ( 0.797 -0.000 -0.800) 1.129 7.933 ( -0.797 0.000 0.800) 1.129 8.059 ( 0.043 -0.000 -0.205) 0.210 8.059 ( -0.043 0.000 0.205) 0.210 8.116 ( 1.420 -0.000 -1.888) 2.363 8.116 ( -1.420 0.000 1.888) 2.363 8.155 ( 1.162 -0.000 -0.919) 1.481 8.155 ( -1.162 0.000 0.919) 1.481 8.361 ( 1.615 -0.000 -2.017) 2.584 8.361 ( -1.615 0.000 2.017) 2.584 8.489 ( -0.836 0.000 -0.604) 1.032 8.489 ( 0.836 -0.000 0.604) 1.032 ======================= Grid point 168 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 0.861 -5.419 -0.474) 5.507 0.423 ( 5.451 -5.321 -0.105) 7.618 0.612 ( 0.424 -9.182 -9.804) 13.439 0.657 ( 0.151 -12.352 7.874) 14.649 0.720 ( -5.976 -3.251 -0.445) 6.817 0.765 ( 3.785 -3.793 -1.053) 5.461 0.813 ( -0.480 -12.872 -0.891) 12.912 0.831 ( 1.517 -13.854 1.576) 14.026 0.903 ( 0.927 -11.306 -5.297) 12.520 0.937 ( 0.771 -9.303 6.698) 11.489 1.061 ( -3.246 -3.604 -0.933) 4.940 1.094 ( 2.685 -5.471 1.130) 6.198 1.202 ( -3.322 4.733 0.094) 5.783 1.234 ( 3.565 4.012 -0.166) 5.369 1.336 ( -3.597 -1.941 -0.244) 4.095 1.367 ( 2.721 -0.295 -0.561) 2.794 1.391 ( -1.705 1.816 -0.313) 2.511 1.417 ( 2.696 1.342 0.884) 3.138 1.470 ( -1.326 -0.074 0.554) 1.439 1.478 ( 0.842 -0.420 -0.391) 1.019 1.551 ( -1.804 -0.343 -2.375) 3.002 1.574 ( 0.654 0.349 1.920) 2.058 1.713 ( -3.692 1.768 -1.620) 4.402 1.741 ( 0.525 1.468 1.185) 1.958 1.920 ( -0.659 0.138 0.325) 0.748 1.932 ( 2.125 0.144 0.428) 2.173 2.224 ( -0.299 0.501 -1.450) 1.563 2.235 ( 0.269 -0.251 1.781) 1.818 2.345 ( 0.429 0.320 -2.022) 2.092 2.352 ( 0.120 -0.014 1.049) 1.056 2.370 ( -0.763 -0.766 0.323) 1.128 2.377 ( 0.674 -0.266 0.240) 0.763 2.470 ( -1.216 -2.783 -0.836) 3.151 2.490 ( 1.556 -2.697 1.356) 3.396 2.584 ( -3.414 -0.608 -2.092) 4.050 2.610 ( 0.864 -0.357 0.359) 1.002 2.626 ( -1.013 0.368 -0.250) 1.106 2.656 ( 3.322 -0.519 2.166) 3.999 2.761 ( -0.905 0.003 0.331) 0.963 2.769 ( 1.126 0.474 -0.329) 1.265 2.930 ( -2.152 0.835 -0.726) 2.420 2.942 ( 0.417 0.323 -0.908) 1.050 2.997 ( 0.909 0.852 -2.439) 2.739 3.014 ( 0.792 0.525 4.087) 4.196 3.126 ( -2.437 4.376 0.804) 5.073 3.144 ( 2.472 4.264 -1.103) 5.051 3.269 ( -1.946 1.068 -0.664) 2.317 3.289 ( 1.898 0.747 0.068) 2.041 3.355 ( 0.469 1.284 -0.777) 1.573 3.357 ( -0.071 1.229 0.804) 1.470 3.398 ( 0.171 3.747 -0.815) 3.838 3.402 ( 0.045 3.754 0.902) 3.861 3.441 ( -0.526 2.897 0.186) 2.951 3.443 ( -0.068 2.707 0.133) 2.711 3.511 ( -4.861 2.519 1.133) 5.591 3.543 ( 3.727 3.725 -1.650) 5.522 3.642 ( 0.224 -1.172 -0.864) 1.473 3.646 ( -0.055 -1.190 0.746) 1.406 3.772 ( -0.102 -2.109 -0.696) 2.223 3.778 ( 0.166 -2.075 0.782) 2.224 3.807 ( -0.456 -0.804 -0.427) 1.019 3.813 ( 0.400 -0.742 0.595) 1.032 3.933 ( -0.606 -0.915 -0.524) 1.216 3.940 ( 0.367 -0.895 0.417) 1.053 4.288 ( -0.386 0.785 0.140) 0.885 4.290 ( 0.294 0.777 -0.109) 0.838 4.404 ( -0.148 -0.402 0.015) 0.429 4.405 ( 0.156 -1.683 -0.158) 1.698 4.417 ( -0.108 0.712 0.250) 0.762 4.418 ( 0.332 -0.528 -0.109) 0.633 4.489 ( -0.281 -3.080 -0.518) 3.136 4.494 ( 0.203 -3.108 0.456) 3.148 4.836 ( 0.148 0.600 -0.342) 0.706 4.837 ( -0.091 0.537 0.367) 0.657 5.029 ( -0.159 2.177 -0.044) 2.184 5.031 ( 0.246 2.181 0.046) 2.196 5.058 ( -0.442 -1.466 0.017) 1.531 5.062 ( 0.457 -1.590 0.194) 1.666 5.134 ( -0.231 -1.391 -0.203) 1.424 5.137 ( 0.118 -1.260 0.185) 1.279 7.344 ( 0.015 -0.499 -0.448) 0.671 7.346 ( -0.142 -0.409 0.518) 0.675 7.386 ( -0.089 -0.583 -0.082) 0.595 7.388 ( 0.343 -0.509 0.100) 0.622 7.950 ( -0.656 -1.595 0.167) 1.733 7.957 ( 0.667 -1.668 0.267) 1.816 8.059 ( -0.817 -0.116 0.797) 1.147 8.059 ( 0.209 -0.055 -0.803) 0.831 8.115 ( -0.440 -0.001 0.505) 0.670 8.121 ( 1.287 -0.140 -0.372) 1.347 8.172 ( -0.566 -1.656 -1.167) 2.103 8.187 ( 1.334 -2.233 1.538) 3.022 8.352 ( -1.910 0.248 0.257) 1.943 8.365 ( 1.340 -0.134 -0.434) 1.415 8.477 ( -0.901 0.589 -0.473) 1.176 8.486 ( 0.881 0.659 0.111) 1.106 ======================= Grid point 169 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 2.497 -5.863 -0.419) 6.386 0.550 ( 5.648 -5.238 0.218) 7.706 0.627 ( -0.640 -1.055 -7.771) 7.868 0.742 ( 1.439 -0.353 7.027) 7.182 0.786 ( -3.195 -4.950 -2.849) 6.544 0.873 ( 2.372 -4.052 1.884) 5.059 0.969 ( -0.366 -3.166 -0.161) 3.192 0.995 ( 1.046 -2.269 0.428) 2.535 1.050 ( -0.149 2.609 -1.083) 2.829 1.055 ( -0.896 4.181 1.206) 4.443 1.217 ( -0.709 -5.821 -1.122) 5.970 1.245 ( 0.803 -12.188 0.973) 12.253 1.297 ( -0.094 -5.492 1.211) 5.624 1.298 ( 0.791 -4.448 -0.926) 4.612 1.338 ( -0.612 -4.332 -0.790) 4.446 1.360 ( 0.743 -1.366 0.860) 1.777 1.428 ( -3.153 -9.968 0.940) 10.497 1.469 ( -1.460 -5.429 -1.096) 5.728 1.477 ( 3.068 -7.071 -0.973) 7.769 1.518 ( 1.281 -6.433 1.751) 6.789 1.542 ( -2.266 -1.975 -1.769) 3.488 1.576 ( -0.021 -2.579 -1.614) 3.043 1.669 ( -3.787 -0.508 -1.087) 3.973 1.722 ( -0.006 0.153 1.064) 1.075 1.915 ( -0.758 -0.002 0.365) 0.841 1.935 ( 1.525 0.342 0.036) 1.564 2.204 ( -0.502 0.637 -2.254) 2.395 2.251 ( 1.117 -0.353 2.770) 3.008 2.344 ( 1.302 -0.307 -2.205) 2.579 2.355 ( -0.920 -0.082 2.634) 2.791 2.391 ( 0.712 -1.266 -0.144) 1.459 2.399 ( 0.521 -1.723 0.526) 1.876 2.511 ( -1.021 -2.153 -0.057) 2.383 2.544 ( 0.955 -1.807 0.428) 2.089 2.575 ( -3.911 -0.373 -1.882) 4.356 2.614 ( -0.410 -0.052 0.070) 0.419 2.624 ( 0.138 -0.621 -0.410) 0.757 2.676 ( 3.246 0.712 1.350) 3.587 2.755 ( 0.380 1.026 -0.828) 1.372 2.762 ( -0.342 0.263 1.782) 1.833 2.899 ( -1.838 0.976 -0.923) 2.277 2.932 ( 0.571 0.980 -0.199) 1.152 2.979 ( 0.501 0.711 -1.544) 1.772 3.015 ( 1.223 1.220 3.168) 3.608 3.039 ( -1.103 4.026 -0.263) 4.183 3.076 ( 2.164 3.663 0.450) 4.278 3.204 ( -2.254 5.055 0.185) 5.538 3.231 ( 1.393 6.452 -1.342) 6.736 3.278 ( -0.661 6.712 0.477) 6.762 3.291 ( 0.938 6.313 -0.027) 6.382 3.333 ( 0.389 2.981 -1.338) 3.290 3.342 ( -0.150 2.095 1.013) 2.332 3.407 ( -1.112 0.585 0.844) 1.513 3.416 ( 0.497 0.437 -0.086) 0.668 3.450 ( -2.682 1.703 -0.044) 3.177 3.479 ( 1.304 2.672 -1.952) 3.556 3.673 ( 0.758 -1.911 -1.331) 2.449 3.680 ( -0.173 -1.904 1.321) 2.324 3.810 ( 0.017 -1.971 -0.723) 2.099 3.818 ( -0.020 -1.844 0.722) 1.980 3.827 ( -0.470 -1.494 0.091) 1.569 3.838 ( 0.536 -1.455 0.246) 1.570 3.956 ( -0.441 -1.804 -0.472) 1.916 3.967 ( 0.162 -1.624 0.269) 1.654 4.269 ( -0.362 1.053 0.207) 1.133 4.273 ( 0.201 1.142 -0.181) 1.173 4.393 ( -0.221 0.502 -0.131) 0.564 4.399 ( 0.227 0.690 0.112) 0.735 4.456 ( 0.015 -3.026 -0.241) 3.036 4.463 ( 0.388 -2.889 0.235) 2.924 4.551 ( -0.268 -3.873 -0.263) 3.891 4.560 ( 0.243 -3.822 0.204) 3.835 4.820 ( -0.133 1.040 -0.233) 1.074 4.823 ( -0.074 0.902 0.274) 0.946 4.980 ( 0.083 2.979 0.025) 2.980 4.983 ( 0.416 3.019 -0.007) 3.047 5.080 ( -0.343 -1.114 -0.195) 1.182 5.089 ( 0.129 -0.975 0.425) 1.072 5.158 ( -0.159 -1.224 -0.102) 1.238 5.160 ( -0.120 -1.094 0.080) 1.104 7.356 ( -0.127 -0.791 0.032) 0.802 7.357 ( -0.071 -0.806 0.089) 0.814 7.400 ( 0.233 -0.836 -0.224) 0.896 7.403 ( 0.195 -0.808 0.279) 0.876 7.976 ( -0.179 -1.311 -0.196) 1.338 7.985 ( 0.124 -1.049 0.794) 1.321 8.058 ( 0.133 0.009 -1.147) 1.155 8.061 ( -0.852 -0.210 1.032) 1.355 8.115 ( -0.529 -0.080 0.524) 0.749 8.130 ( 1.570 -0.261 -0.203) 1.604 8.187 ( -0.811 -0.657 -2.109) 2.353 8.222 ( 0.296 -0.208 1.940) 1.974 8.351 ( -1.402 -1.007 0.365) 1.765 8.376 ( 1.197 -0.450 -0.187) 1.292 8.461 ( -0.662 0.641 0.157) 0.935 8.476 ( 1.053 0.785 -0.349) 1.359 ======================= Grid point 170 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 3.023 -1.608 -2.100) 4.017 0.642 ( 2.290 -3.808 2.096) 4.913 0.699 ( 1.643 -6.754 -1.799) 7.180 0.802 ( 2.606 -3.669 4.111) 6.095 0.866 ( -2.663 -5.458 -3.016) 6.780 0.930 ( 0.120 -0.685 -0.260) 0.743 0.942 ( 1.156 3.800 -0.520) 4.006 0.978 ( 1.127 0.978 1.891) 2.409 1.021 ( 0.024 -0.235 -0.919) 0.949 1.044 ( 1.177 -0.591 0.582) 1.440 1.179 ( 0.141 3.520 -2.864) 4.540 1.238 ( -0.132 5.439 2.954) 6.191 1.258 ( -1.571 4.753 0.268) 5.013 1.287 ( 0.137 4.337 -0.150) 4.341 1.333 ( -3.899 2.879 0.478) 4.870 1.422 ( 1.371 0.942 0.807) 1.849 1.452 ( -3.570 -0.405 -1.924) 4.076 1.536 ( -1.858 -1.028 -1.653) 2.691 1.564 ( -0.060 -1.771 -0.599) 1.870 1.645 ( 1.068 0.436 -0.404) 1.223 1.801 ( -1.038 -12.156 -0.133) 12.201 1.823 ( -0.521 -12.698 0.019) 12.709 1.853 ( 1.078 -19.922 -0.338) 19.954 1.858 ( 1.690 -15.870 0.413) 15.965 1.957 ( -1.479 -9.409 1.194) 9.599 1.967 ( 0.592 -7.220 -1.305) 7.361 2.192 ( -0.159 -0.143 -1.773) 1.786 2.269 ( 1.175 -0.398 2.364) 2.670 2.353 ( 1.024 -0.439 -1.183) 1.625 2.364 ( -1.125 -1.056 0.662) 1.679 2.417 ( 0.801 -1.226 0.862) 1.699 2.439 ( 1.412 -1.729 0.420) 2.271 2.541 ( -0.285 -1.028 -0.031) 1.067 2.546 ( -3.477 0.750 -0.761) 3.638 2.565 ( -0.025 -0.489 0.059) 0.493 2.616 ( -0.778 0.087 -0.229) 0.815 2.634 ( -0.154 -0.335 -0.107) 0.384 2.671 ( 3.810 1.349 -0.320) 4.055 2.732 ( -0.382 1.227 -0.232) 1.306 2.747 ( -0.959 1.864 1.989) 2.890 2.873 ( -1.261 1.801 0.387) 2.232 2.895 ( 0.037 3.625 -0.118) 3.627 2.956 ( -0.243 3.435 1.075) 3.607 2.977 ( -0.369 2.465 -0.242) 2.505 2.979 ( 1.144 2.859 -0.301) 3.094 3.008 ( 0.628 6.113 0.186) 6.148 3.084 ( 0.559 8.030 -0.915) 8.101 3.088 ( 0.449 4.734 0.120) 4.756 3.168 ( 1.425 6.542 -0.755) 6.737 3.173 ( -0.340 3.503 2.715) 4.445 3.277 ( -0.833 2.385 -1.763) 3.081 3.313 ( 0.224 1.356 -0.258) 1.399 3.391 ( -1.992 0.746 1.949) 2.885 3.405 ( 0.656 0.946 -1.289) 1.728 3.434 ( 0.109 -0.592 -1.787) 1.886 3.456 ( -0.328 0.267 0.383) 0.571 3.706 ( 0.890 -1.524 -1.401) 2.253 3.713 ( -0.427 -1.311 1.378) 1.949 3.838 ( 0.215 -1.206 -0.826) 1.478 3.845 ( -0.443 -1.003 0.805) 1.360 3.855 ( -0.151 -1.519 0.167) 1.536 3.868 ( 0.437 -1.383 0.110) 1.455 3.986 ( -0.213 -1.586 -0.419) 1.654 3.997 ( -0.133 -1.343 0.271) 1.377 4.249 ( -0.184 0.927 0.130) 0.954 4.252 ( 0.104 1.023 -0.127) 1.036 4.385 ( -0.010 0.259 -0.171) 0.311 4.390 ( 0.045 0.419 0.165) 0.452 4.509 ( -0.034 -2.640 -0.174) 2.646 4.518 ( 0.132 -2.665 0.177) 2.674 4.625 ( -0.000 -4.106 -0.125) 4.108 4.637 ( 0.336 -4.125 0.096) 4.140 4.797 ( -0.246 1.150 -0.231) 1.199 4.806 ( -0.176 0.956 0.282) 1.012 4.921 ( 0.121 3.363 0.074) 3.366 4.927 ( 0.423 3.189 -0.060) 3.217 5.095 ( -0.077 -0.602 -0.241) 0.653 5.102 ( -0.063 -0.371 0.338) 0.506 5.175 ( -0.118 -0.629 -0.097) 0.647 5.176 ( -0.159 -0.706 0.087) 0.729 7.370 ( -0.250 -0.785 0.267) 0.866 7.374 ( 0.125 -0.900 -0.079) 0.913 7.414 ( 0.005 -0.607 0.140) 0.623 7.418 ( 0.345 -0.641 -0.139) 0.741 7.994 ( -0.037 -0.654 0.012) 0.655 8.003 ( 0.217 -0.611 0.435) 0.781 8.055 ( -0.077 -0.054 -0.830) 0.836 8.063 ( -0.455 -0.157 0.630) 0.793 8.117 ( -0.571 -0.214 0.575) 0.838 8.140 ( 1.424 0.062 -0.235) 1.445 8.183 ( -0.796 -0.134 -1.762) 1.938 8.219 ( -0.482 0.558 1.212) 1.418 8.368 ( -0.493 -0.921 0.380) 1.112 8.388 ( 0.591 -0.437 -0.207) 0.764 8.449 ( -0.379 0.507 0.474) 0.791 8.467 ( 0.860 0.611 -0.430) 1.139 ======================= Grid point 171 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 1.212 -0.226 -0.715) 1.426 0.737 ( 1.524 -3.639 2.403) 4.620 0.815 ( 0.513 -4.706 -0.741) 4.791 0.869 ( 1.647 1.032 -0.370) 1.979 0.900 ( 0.064 -2.518 0.223) 2.528 0.930 ( 0.845 -1.833 1.832) 2.726 0.970 ( 1.171 0.272 -1.605) 2.005 0.988 ( -2.561 -3.092 -0.683) 4.073 1.001 ( -0.438 0.971 0.348) 1.120 1.037 ( 1.364 1.894 -1.430) 2.737 1.135 ( -0.075 3.594 1.360) 3.844 1.143 ( 0.502 3.245 -1.920) 3.804 1.167 ( -0.625 1.509 1.445) 2.180 1.210 ( -0.302 2.959 0.306) 2.990 1.269 ( -1.987 1.791 -0.077) 2.676 1.370 ( -1.582 2.144 -0.270) 2.678 1.464 ( 0.407 -0.513 0.063) 0.658 1.527 ( -1.699 0.116 -0.704) 1.843 1.590 ( 0.247 -0.866 -0.155) 0.914 1.631 ( 0.557 0.620 -0.502) 0.973 1.869 ( -0.018 -0.418 -0.272) 0.499 1.876 ( 0.034 -0.137 0.352) 0.379 2.132 ( 0.215 -6.165 -0.136) 6.171 2.176 ( 0.953 -11.435 0.741) 11.499 2.186 ( 0.920 -7.692 -0.809) 7.789 2.204 ( -1.263 -10.043 0.565) 10.138 2.221 ( -0.402 -4.792 -0.192) 4.813 2.313 ( 1.278 -4.332 1.565) 4.780 2.359 ( -0.172 -0.372 -2.282) 2.318 2.401 ( -0.786 -4.300 -0.435) 4.393 2.456 ( 0.326 -2.324 0.724) 2.456 2.475 ( 1.023 -1.490 -0.179) 1.816 2.519 ( -1.116 -0.833 0.510) 1.483 2.547 ( -1.097 1.377 0.634) 1.871 2.566 ( 0.805 0.745 -1.502) 1.860 2.592 ( -0.832 2.011 0.415) 2.216 2.632 ( -0.164 0.601 -0.685) 0.926 2.658 ( 1.925 1.103 -0.082) 2.220 2.677 ( 0.078 5.009 0.403) 5.025 2.705 ( -0.978 2.260 1.289) 2.779 2.775 ( -0.683 7.880 0.733) 7.943 2.801 ( 0.588 3.476 1.136) 3.704 2.832 ( -1.331 5.834 -1.393) 6.143 2.916 ( 0.320 2.725 -0.051) 2.744 2.936 ( 0.493 1.614 -0.524) 1.767 2.949 ( 0.291 1.212 1.243) 1.760 3.001 ( -0.314 0.827 -0.535) 1.034 3.044 ( 0.811 1.213 -0.823) 1.676 3.098 ( 0.619 1.349 0.027) 1.485 3.157 ( 0.533 0.041 2.040) 2.109 3.233 ( -0.880 1.213 -1.293) 1.979 3.293 ( 0.109 0.603 -0.466) 0.770 3.379 ( -0.948 0.187 1.029) 1.412 3.391 ( 0.381 0.469 -0.863) 1.053 3.442 ( 0.148 -0.305 -0.549) 0.645 3.455 ( -0.219 -0.030 0.264) 0.345 3.727 ( 0.813 -0.627 -1.289) 1.648 3.730 ( -0.651 -0.384 1.277) 1.484 3.853 ( 0.178 -0.412 -0.449) 0.635 3.858 ( -0.265 -0.338 0.433) 0.610 3.876 ( -0.038 -0.630 0.080) 0.636 3.888 ( 0.153 -0.569 0.030) 0.589 4.006 ( -0.045 -0.640 -0.186) 0.668 4.014 ( -0.118 -0.509 0.137) 0.540 4.237 ( -0.058 0.345 0.069) 0.357 4.238 ( 0.050 0.461 -0.073) 0.469 4.382 ( 0.124 0.041 -0.255) 0.286 4.384 ( -0.123 0.237 0.257) 0.371 4.546 ( -0.060 -1.162 -0.041) 1.164 4.555 ( 0.010 -1.092 0.040) 1.093 4.692 ( 0.087 -2.503 -0.037) 2.505 4.704 ( 0.208 -2.492 0.016) 2.500 4.778 ( -0.100 0.569 -0.110) 0.588 4.792 ( -0.089 0.448 0.153) 0.482 4.865 ( -0.034 2.235 0.074) 2.236 4.876 ( 0.181 2.008 -0.071) 2.018 5.101 ( 0.057 -0.212 -0.162) 0.273 5.106 ( -0.081 -0.050 0.184) 0.208 5.181 ( -0.054 -0.187 -0.042) 0.199 5.184 ( -0.062 -0.216 0.041) 0.229 7.381 ( -0.089 -0.372 0.112) 0.398 7.387 ( 0.059 -0.403 0.000) 0.408 7.422 ( -0.075 -0.190 0.158) 0.258 7.427 ( 0.198 -0.201 -0.187) 0.339 8.001 ( -0.036 -0.203 0.082) 0.222 8.012 ( 0.154 -0.162 0.087) 0.240 8.055 ( -0.033 -0.088 -0.311) 0.325 8.065 ( -0.147 -0.014 0.208) 0.255 8.121 ( -0.341 -0.274 0.451) 0.629 8.137 ( 0.529 0.378 -0.456) 0.794 8.183 ( -0.165 -0.249 -0.551) 0.627 8.210 ( -0.270 0.298 0.467) 0.616 8.379 ( -0.151 -0.275 0.126) 0.338 8.395 ( 0.175 -0.201 -0.128) 0.296 8.442 ( -0.124 0.204 0.253) 0.347 8.460 ( 0.328 0.247 -0.182) 0.449 ======================= Grid point 177 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 2.235 -0.000 -2.080) 3.053 0.378 ( 11.447 -0.000 -6.092) 12.967 0.442 ( 2.537 -0.000 -3.003) 3.931 0.474 ( 0.497 -0.000 6.297) 6.317 0.643 ( -2.261 0.000 1.032) 2.485 0.646 ( -1.308 0.000 1.182) 1.763 0.676 ( -4.475 0.000 -0.596) 4.515 0.734 ( 2.921 -0.000 -13.099) 13.421 0.856 ( 6.681 -0.000 -1.073) 6.767 0.899 ( -0.571 0.000 10.860) 10.875 1.026 ( -1.558 0.000 -1.304) 2.032 1.061 ( -0.251 0.000 2.543) 2.555 1.256 ( -3.051 0.000 -0.553) 3.101 1.284 ( -1.000 0.000 0.700) 1.220 1.322 ( 0.698 -0.000 0.472) 0.842 1.348 ( 4.468 -0.000 -0.842) 4.547 1.410 ( -3.681 0.000 -0.565) 3.725 1.448 ( 1.068 -0.000 -0.804) 1.337 1.465 ( -0.326 0.000 1.453) 1.490 1.467 ( 0.552 -0.000 -0.295) 0.626 1.529 ( -1.364 0.000 -3.091) 3.378 1.590 ( 0.483 -0.000 3.091) 3.128 1.711 ( -4.122 0.000 -1.147) 4.278 1.752 ( -2.163 0.000 0.428) 2.204 1.923 ( -0.028 0.000 0.923) 0.923 1.948 ( 3.568 -0.000 1.093) 3.731 2.230 ( -1.072 0.000 3.069) 3.251 2.235 ( 1.558 -0.000 -2.283) 2.764 2.339 ( -0.614 0.000 -2.945) 3.008 2.353 ( 0.574 -0.000 -1.830) 1.918 2.357 ( -0.293 0.000 1.587) 1.614 2.389 ( -0.507 0.000 2.216) 2.273 2.429 ( -0.076 0.000 -2.006) 2.007 2.474 ( 1.941 -0.000 2.081) 2.846 2.555 ( -3.949 0.000 -2.247) 4.544 2.604 ( 0.348 -0.000 -0.786) 0.859 2.641 ( -0.578 0.000 2.818) 2.877 2.665 ( 3.689 -0.000 1.155) 3.865 2.755 ( -0.985 0.000 -0.089) 0.989 2.778 ( 1.064 -0.000 -0.543) 1.195 2.925 ( -3.022 0.000 -0.719) 3.106 2.936 ( -0.514 0.000 -2.719) 2.767 3.010 ( 1.917 -0.000 -1.186) 2.254 3.037 ( 1.595 -0.000 4.821) 5.078 3.172 ( -2.914 0.000 2.084) 3.582 3.183 ( 0.544 -0.000 -3.227) 3.273 3.282 ( 0.660 -0.000 -0.493) 0.824 3.284 ( 1.358 -0.000 -0.679) 1.518 3.364 ( 1.431 -0.000 -2.031) 2.484 3.369 ( -0.678 0.000 2.575) 2.663 3.439 ( 0.240 -0.000 -0.436) 0.498 3.449 ( 0.411 -0.000 0.862) 0.955 3.475 ( -0.460 0.000 0.248) 0.523 3.477 ( -0.070 0.000 -0.120) 0.139 3.503 ( -6.173 0.000 1.031) 6.259 3.591 ( 2.980 -0.000 0.567) 3.033 3.634 ( 0.644 -0.000 -1.762) 1.876 3.640 ( -1.099 0.000 0.550) 1.229 3.750 ( 0.199 -0.000 -0.320) 0.377 3.757 ( 0.109 -0.000 0.720) 0.729 3.797 ( -0.443 0.000 -0.509) 0.675 3.810 ( 0.066 -0.000 0.823) 0.826 3.922 ( -0.498 0.000 -0.655) 0.823 3.935 ( -0.479 0.000 0.710) 0.857 4.295 ( -0.267 0.000 0.109) 0.288 4.299 ( 0.166 -0.000 -0.042) 0.171 4.384 ( 0.073 -0.000 -0.262) 0.272 4.393 ( 0.700 -0.000 0.386) 0.800 4.432 ( -0.614 0.000 -0.574) 0.841 4.441 ( 0.127 -0.000 -0.278) 0.305 4.448 ( 0.028 -0.000 0.273) 0.275 4.449 ( 0.053 -0.000 0.424) 0.428 4.842 ( 0.407 -0.000 -0.492) 0.639 4.842 ( -0.169 0.000 0.497) 0.525 5.039 ( 0.025 -0.000 -0.200) 0.201 5.044 ( 0.185 -0.000 0.207) 0.278 5.052 ( -0.022 0.000 -0.035) 0.041 5.055 ( 0.033 -0.000 0.103) 0.108 5.115 ( -0.206 0.000 -0.305) 0.368 5.124 ( 0.250 -0.000 0.276) 0.372 7.337 ( -0.031 0.000 -0.427) 0.428 7.343 ( -0.189 0.000 0.585) 0.615 7.379 ( -0.090 0.000 0.125) 0.154 7.386 ( 0.559 -0.000 -0.111) 0.570 7.933 ( -0.313 0.000 1.060) 1.105 7.938 ( 1.084 -0.000 -0.696) 1.288 8.055 ( -0.669 0.000 0.019) 0.670 8.056 ( -0.636 0.000 -0.016) 0.636 8.119 ( -0.305 0.000 1.787) 1.813 8.125 ( 2.305 -0.000 -1.120) 2.563 8.154 ( -0.202 0.000 0.969) 0.990 8.166 ( 2.466 -0.000 -0.587) 2.535 8.352 ( -2.529 0.000 1.589) 2.987 8.362 ( 1.144 -0.000 -2.224) 2.501 8.476 ( -0.718 0.000 -1.190) 1.390 8.496 ( 0.330 -0.000 0.168) 0.371 ======================= Grid point 178 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 4.438 -4.855 -0.481) 6.596 0.485 ( 8.408 -5.248 -1.688) 10.054 0.565 ( 1.503 -6.533 -10.265) 12.260 0.664 ( -5.529 -3.529 -0.599) 6.587 0.697 ( 0.575 -13.793 6.118) 15.100 0.768 ( 0.951 -10.451 -4.293) 11.339 0.824 ( 2.715 -10.585 1.108) 10.984 0.843 ( -0.640 -15.411 0.735) 15.442 0.910 ( 4.173 -7.849 -0.905) 8.936 0.980 ( 1.384 -6.994 5.422) 8.957 1.030 ( -2.581 -2.642 -0.906) 3.802 1.111 ( -0.430 -6.327 0.764) 6.387 1.185 ( -0.406 4.606 0.475) 4.648 1.259 ( 1.868 3.663 0.017) 4.112 1.307 ( -2.213 -2.035 -0.189) 3.013 1.357 ( -1.585 2.634 -1.797) 3.561 1.401 ( 1.128 0.015 1.455) 1.841 1.443 ( 2.362 -0.573 -0.280) 2.447 1.461 ( -1.158 0.359 0.735) 1.417 1.480 ( 0.229 -0.546 -0.926) 1.099 1.522 ( -1.850 -0.228 -2.089) 2.800 1.578 ( -1.712 1.642 1.128) 2.627 1.668 ( -4.440 1.948 -1.022) 4.955 1.737 ( -2.104 0.652 0.693) 2.309 1.920 ( -0.210 0.496 0.748) 0.921 1.958 ( 2.606 0.908 0.711) 2.850 2.216 ( 0.413 1.151 -1.502) 1.936 2.250 ( 0.476 -0.786 2.623) 2.780 2.340 ( 1.315 -0.321 -2.512) 2.853 2.358 ( 0.410 -1.430 0.228) 1.505 2.369 ( -0.924 0.209 2.219) 2.413 2.383 ( 0.831 -0.464 -0.016) 0.952 2.462 ( -0.103 -2.884 -0.324) 2.904 2.504 ( -0.135 -1.857 0.658) 1.975 2.541 ( -2.800 -0.835 -1.757) 3.410 2.611 ( 0.355 -0.658 -0.642) 0.985 2.626 ( -0.668 1.215 0.946) 1.678 2.692 ( 2.342 -0.499 1.455) 2.801 2.758 ( -0.323 -0.557 0.585) 0.870 2.773 ( 0.256 0.718 -0.866) 1.154 2.902 ( -2.781 0.557 -0.784) 2.942 2.931 ( -0.301 -0.394 -2.591) 2.638 3.003 ( 2.127 1.325 -0.696) 2.601 3.051 ( 2.102 0.814 4.912) 5.405 3.113 ( -1.319 4.040 0.671) 4.302 3.155 ( 1.235 3.263 -1.085) 3.653 3.251 ( -1.055 1.948 -0.878) 2.383 3.300 ( 1.115 0.757 -0.960) 1.654 3.357 ( 1.176 1.308 -1.451) 2.280 3.362 ( -0.165 1.525 1.424) 2.093 3.397 ( 0.461 3.866 -0.757) 3.966 3.408 ( 0.089 3.692 0.967) 3.818 3.434 ( -1.725 2.847 0.974) 3.468 3.442 ( -0.407 2.455 0.401) 2.521 3.474 ( -4.000 1.896 0.730) 4.486 3.554 ( 1.119 4.785 -3.081) 5.800 3.642 ( 0.587 -1.397 -0.620) 1.637 3.649 ( 0.076 -1.535 0.496) 1.615 3.769 ( 0.159 -2.030 -0.557) 2.112 3.783 ( -0.020 -2.023 0.773) 2.166 3.802 ( -0.162 -0.899 -0.125) 0.922 3.819 ( 0.148 -0.777 0.619) 1.005 3.925 ( -0.456 -0.977 -0.495) 1.186 3.943 ( -0.203 -1.030 0.136) 1.059 4.286 ( -0.363 0.809 0.239) 0.919 4.292 ( 0.154 0.794 -0.164) 0.826 4.402 ( -0.137 0.538 -0.088) 0.562 4.405 ( 0.218 -2.170 -0.154) 2.186 4.417 ( -0.055 0.982 0.258) 1.017 4.422 ( 0.664 -1.272 -0.049) 1.435 4.485 ( -0.197 -3.040 -0.344) 3.065 4.497 ( -0.090 -3.123 0.276) 3.136 4.836 ( 0.207 0.710 -0.289) 0.794 4.838 ( -0.079 0.551 0.345) 0.654 5.028 ( -0.003 2.043 0.028) 2.043 5.033 ( 0.264 2.062 -0.006) 2.079 5.055 ( -0.291 -1.296 0.167) 1.339 5.067 ( 0.202 -1.543 0.313) 1.588 5.131 ( -0.188 -1.429 -0.148) 1.449 5.138 ( -0.037 -1.106 0.132) 1.115 7.342 ( 0.028 -0.554 -0.348) 0.655 7.346 ( -0.352 -0.344 0.491) 0.695 7.386 ( 0.230 -0.632 0.043) 0.674 7.392 ( 0.423 -0.469 0.048) 0.633 7.948 ( -0.308 -1.399 0.639) 1.568 7.964 ( 0.410 -1.616 0.425) 1.720 8.054 ( -1.276 -0.229 0.851) 1.551 8.055 ( -0.127 -0.083 -1.014) 1.026 8.118 ( 0.132 0.293 0.830) 0.890 8.133 ( 1.826 -0.131 -0.295) 1.854 8.164 ( 0.036 -0.843 -1.007) 1.314 8.211 ( 1.673 -2.035 2.104) 3.371 8.334 ( -2.251 0.189 0.206) 2.268 8.371 ( 0.755 -0.573 -0.806) 1.244 8.468 ( -0.259 0.322 -0.713) 0.824 8.492 ( 0.440 0.509 -0.119) 0.683 ======================= Grid point 179 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 2.141 -5.604 -1.283) 6.135 0.602 ( 3.075 -2.145 -3.141) 4.891 0.611 ( 8.300 -4.442 -2.617) 9.771 0.720 ( -4.872 -5.561 -2.226) 7.721 0.808 ( 1.937 0.008 6.213) 6.508 0.896 ( 1.632 -3.357 0.364) 3.751 0.975 ( 1.816 -3.321 0.161) 3.788 0.997 ( -0.985 -2.298 -0.343) 2.523 1.040 ( -0.976 0.829 -0.902) 1.567 1.054 ( -0.639 4.022 1.319) 4.281 1.210 ( 0.220 -3.270 -0.437) 3.306 1.256 ( 0.664 -13.325 0.640) 13.357 1.299 ( 0.136 -1.316 -0.428) 1.391 1.307 ( 1.065 -6.392 0.778) 6.527 1.329 ( -0.473 -4.975 -0.818) 5.064 1.370 ( 0.537 -0.534 0.735) 1.055 1.406 ( -2.982 -8.198 1.089) 8.792 1.457 ( -0.826 -4.835 0.493) 4.929 1.494 ( 1.877 -6.352 -1.977) 6.913 1.508 ( -1.334 -6.353 -3.061) 7.177 1.537 ( -0.068 -3.477 1.637) 3.843 1.553 ( -1.756 -4.920 -2.312) 5.712 1.632 ( -3.936 -1.837 0.464) 4.369 1.716 ( -1.648 -0.036 -0.554) 1.738 1.913 ( -0.328 0.102 0.752) 0.827 1.946 ( 1.070 0.982 -0.347) 1.493 2.196 ( 1.085 0.774 -1.620) 2.097 2.271 ( 0.208 -0.486 2.351) 2.410 2.348 ( 1.736 -0.533 -1.688) 2.479 2.359 ( -0.720 0.472 2.074) 2.246 2.405 ( 1.102 -2.414 0.694) 2.743 2.407 ( 0.999 -1.070 1.044) 1.798 2.509 ( 0.235 -1.912 0.043) 1.926 2.529 ( -3.354 -1.417 -0.289) 3.652 2.551 ( -0.364 -0.981 -0.700) 1.259 2.609 ( -0.535 0.204 -0.133) 0.588 2.624 ( 0.282 -0.612 -0.645) 0.932 2.704 ( 2.325 0.518 0.248) 2.395 2.747 ( -1.757 1.295 -0.617) 2.269 2.768 ( -0.200 0.065 1.315) 1.332 2.883 ( -1.100 0.450 0.171) 1.201 2.929 ( 0.246 0.278 -1.696) 1.736 2.984 ( 1.340 1.205 -0.219) 1.815 3.031 ( -0.105 4.140 -0.283) 4.151 3.048 ( 1.760 2.190 3.887) 4.796 3.096 ( 1.792 3.433 0.521) 3.908 3.185 ( -2.013 4.521 -0.034) 4.949 3.232 ( 0.604 6.597 -1.923) 6.898 3.276 ( -0.315 6.575 0.759) 6.626 3.298 ( 0.546 5.859 -0.041) 5.884 3.331 ( 0.666 3.641 -1.213) 3.895 3.345 ( -0.036 2.480 0.538) 2.538 3.400 ( -1.860 0.598 1.775) 2.639 3.420 ( 0.369 0.296 0.100) 0.483 3.425 ( -1.882 1.119 -1.279) 2.536 3.473 ( 0.123 2.399 -2.567) 3.515 3.675 ( 1.108 -1.840 -1.256) 2.488 3.685 ( -0.211 -1.854 1.242) 2.242 3.808 ( 0.200 -1.941 -0.684) 2.068 3.820 ( -0.525 -1.677 0.666) 1.879 3.826 ( 0.122 -1.593 0.316) 1.628 3.843 ( 0.305 -1.459 0.211) 1.505 3.951 ( -0.202 -1.860 -0.373) 1.908 3.968 ( -0.236 -1.618 0.065) 1.636 4.267 ( -0.321 1.014 0.295) 1.104 4.273 ( 0.089 1.144 -0.262) 1.177 4.391 ( -0.056 0.430 -0.039) 0.436 4.401 ( 0.042 0.681 0.013) 0.682 4.456 ( 0.373 -2.943 -0.153) 2.970 4.467 ( 0.296 -2.732 0.115) 2.751 4.549 ( -0.038 -3.989 -0.070) 3.990 4.562 ( -0.010 -3.918 0.037) 3.918 4.817 ( -0.083 1.155 -0.164) 1.170 4.823 ( -0.244 0.951 0.217) 1.005 4.982 ( 0.319 2.938 0.103) 2.957 4.987 ( 0.467 3.006 -0.061) 3.043 5.077 ( -0.175 -1.133 -0.013) 1.146 5.091 ( -0.207 -0.926 0.322) 1.002 5.156 ( -0.192 -1.270 -0.076) 1.286 5.159 ( -0.224 -1.061 0.051) 1.086 7.355 ( -0.179 -0.795 0.161) 0.831 7.356 ( -0.096 -0.865 0.009) 0.870 7.402 ( 0.402 -0.795 -0.124) 0.899 7.406 ( 0.225 -0.762 0.225) 0.826 7.975 ( 0.048 -1.349 0.228) 1.369 7.990 ( -0.015 -1.009 0.750) 1.257 8.052 ( -0.034 -0.014 -1.185) 1.185 8.057 ( -1.101 -0.401 0.908) 1.483 8.116 ( -0.133 0.131 0.791) 0.813 8.145 ( 1.934 -0.231 -0.059) 1.949 8.170 ( -0.654 -0.317 -2.092) 2.214 8.229 ( -0.791 0.441 1.324) 1.604 8.345 ( -0.632 -1.468 0.937) 1.853 8.381 ( 0.477 -0.429 -0.480) 0.802 8.459 ( 0.055 0.499 0.282) 0.575 8.482 ( 0.695 0.743 -0.497) 1.133 ======================= Grid point 180 (79/95) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 3.504 -2.038 0.004) 4.054 0.673 ( 3.426 -4.045 0.614) 5.336 0.721 ( 3.824 -5.008 -0.135) 6.302 0.809 ( -2.985 -6.239 -2.279) 7.282 0.856 ( 1.147 -3.346 2.744) 4.477 0.925 ( -0.344 -0.427 -1.022) 1.160 0.952 ( 1.374 3.933 -0.534) 4.200 0.986 ( -1.129 1.542 0.350) 1.943 1.022 ( 1.267 -0.563 0.121) 1.392 1.060 ( 2.020 -0.847 -0.133) 2.194 1.172 ( 1.208 3.047 -1.781) 3.731 1.240 ( -2.040 5.783 0.885) 6.196 1.249 ( -1.082 4.510 0.898) 4.724 1.285 ( -0.653 4.578 0.020) 4.625 1.307 ( -2.343 3.365 1.354) 4.318 1.400 ( -3.155 2.335 -2.106) 4.454 1.447 ( 0.591 -2.047 0.758) 2.262 1.518 ( -0.679 -0.848 0.517) 1.203 1.555 ( -1.084 -2.056 -1.144) 2.590 1.638 ( -0.930 -0.204 -2.294) 2.484 1.794 ( -0.317 -12.463 -0.228) 12.469 1.819 ( -0.396 -12.283 -0.258) 12.292 1.861 ( 1.070 -20.525 -0.314) 20.555 1.872 ( 0.816 -18.035 0.375) 18.057 1.951 ( -1.054 -8.269 1.298) 8.436 1.965 ( 0.366 -6.535 -1.241) 6.662 2.190 ( 1.394 0.086 -0.883) 1.652 2.281 ( -0.562 -0.405 0.647) 0.948 2.354 ( -1.357 -0.005 1.621) 2.114 2.367 ( 2.458 -0.606 -1.228) 2.813 2.433 ( 0.816 -0.997 1.663) 2.103 2.451 ( 1.034 -1.785 -0.342) 2.091 2.516 ( -2.247 0.402 0.506) 2.338 2.543 ( 0.705 -0.839 0.092) 1.099 2.565 ( -0.119 -0.871 -0.363) 0.951 2.607 ( -0.799 0.178 -0.302) 0.872 2.630 ( -0.243 -0.244 -0.564) 0.661 2.700 ( 3.217 1.134 -0.847) 3.515 2.716 ( -3.412 0.777 0.597) 3.550 2.750 ( -0.110 2.226 0.912) 2.408 2.868 ( -0.640 1.731 1.146) 2.172 2.892 ( -0.360 3.853 -0.317) 3.883 2.963 ( 0.192 3.256 0.739) 3.345 2.975 ( 0.409 1.972 -0.271) 2.032 2.987 ( 0.765 4.636 0.097) 4.700 3.012 ( 0.056 7.066 0.440) 7.080 3.083 ( 0.045 7.426 -0.272) 7.431 3.092 ( 0.926 4.225 -0.966) 4.432 3.180 ( 1.433 6.392 0.353) 6.560 3.187 ( 0.328 2.735 2.640) 3.815 3.262 ( -0.616 2.892 -1.374) 3.261 3.308 ( -0.373 1.437 -1.652) 2.221 3.384 ( -2.031 0.582 2.339) 3.152 3.401 ( 0.420 0.729 -2.044) 2.210 3.430 ( 0.584 -0.793 -0.989) 1.396 3.452 ( -0.706 0.012 0.041) 0.708 3.708 ( 1.085 -1.452 -1.333) 2.250 3.716 ( -0.563 -1.203 1.310) 1.865 3.836 ( 0.297 -1.248 -0.758) 1.490 3.844 ( -0.671 -1.065 0.642) 1.413 3.857 ( 0.252 -1.423 0.356) 1.488 3.871 ( 0.160 -1.312 0.029) 1.322 3.984 ( 0.016 -1.650 -0.300) 1.677 3.995 ( -0.392 -1.373 0.144) 1.435 4.249 ( -0.143 0.891 0.199) 0.924 4.252 ( 0.053 1.002 -0.198) 1.022 4.385 ( 0.099 0.257 -0.082) 0.288 4.391 ( -0.053 0.438 0.074) 0.447 4.509 ( 0.174 -2.543 -0.079) 2.551 4.519 ( -0.089 -2.586 0.067) 2.588 4.626 ( 0.287 -4.153 0.045) 4.164 4.639 ( 0.118 -4.189 -0.061) 4.191 4.795 ( -0.079 1.138 -0.099) 1.145 4.804 ( -0.392 0.921 0.155) 1.012 4.924 ( 0.282 3.470 0.150) 3.485 4.930 ( 0.329 3.275 -0.127) 3.294 5.094 ( 0.085 -0.647 -0.118) 0.663 5.103 ( -0.245 -0.389 0.222) 0.511 5.173 ( -0.107 -0.663 -0.070) 0.675 5.175 ( -0.211 -0.754 0.060) 0.785 7.370 ( -0.186 -0.808 0.340) 0.896 7.374 ( 0.034 -0.940 -0.147) 0.953 7.416 ( 0.117 -0.524 0.225) 0.582 7.420 ( 0.289 -0.570 -0.203) 0.671 7.995 ( 0.120 -0.611 0.272) 0.679 8.006 ( 0.115 -0.556 0.249) 0.620 8.051 ( 0.045 -0.190 -0.725) 0.751 8.062 ( -0.654 -0.285 0.505) 0.874 8.117 ( -0.279 -0.118 0.855) 0.907 8.148 ( 0.684 0.593 -0.884) 1.266 8.171 ( 0.218 -0.671 -1.065) 1.277 8.217 ( -1.155 0.475 0.789) 1.477 8.368 ( -0.109 -0.867 0.648) 1.088 8.389 ( 0.080 -0.385 -0.510) 0.644 8.451 ( 0.156 0.566 0.767) 0.966 8.470 ( 0.540 0.666 -0.626) 1.061 ======================= Grid point 181 (80/95) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 4.137 1.278 0.909) 4.424 0.758 ( 0.396 -1.439 1.724) 2.280 0.816 ( -0.142 -3.987 0.492) 4.020 0.876 ( 1.048 0.369 -1.108) 1.569 0.897 ( -1.033 -1.869 -0.805) 2.282 0.925 ( -1.760 -1.077 -1.023) 2.303 0.971 ( -0.871 -4.555 0.817) 4.709 0.980 ( 2.248 0.588 -1.486) 2.758 0.997 ( -0.891 0.662 0.922) 1.443 1.036 ( 0.356 3.235 -1.955) 3.797 1.137 ( -0.522 4.622 1.233) 4.812 1.147 ( 1.447 0.982 -1.343) 2.204 1.173 ( -0.425 2.103 2.467) 3.270 1.205 ( -0.335 2.638 -0.868) 2.797 1.263 ( 0.062 0.682 1.088) 1.286 1.348 ( -1.933 0.435 -1.847) 2.709 1.468 ( 0.228 -0.251 0.885) 0.948 1.533 ( 1.606 -0.545 2.178) 2.760 1.576 ( -2.629 -1.200 -0.647) 2.961 1.625 ( -0.219 0.130 -2.508) 2.521 1.867 ( 0.173 -0.553 -0.468) 0.745 1.876 ( -0.435 -0.089 0.301) 0.536 2.138 ( 1.314 -6.087 -0.199) 6.230 2.178 ( -1.169 -8.940 0.318) 9.021 2.193 ( 0.957 -8.896 -0.534) 8.963 2.206 ( 1.275 -11.026 1.111) 11.155 2.219 ( -0.499 -4.760 1.117) 4.915 2.316 ( -0.635 -5.037 -2.774) 5.786 2.351 ( -0.090 0.035 0.968) 0.972 2.394 ( -0.318 -3.337 -0.824) 3.452 2.461 ( -0.144 -1.499 0.965) 1.788 2.478 ( 0.198 -1.633 -0.770) 1.817 2.524 ( 1.003 -1.535 1.129) 2.153 2.543 ( -0.531 0.972 0.819) 1.378 2.567 ( 1.086 1.440 -1.229) 2.182 2.589 ( -0.408 1.700 0.374) 1.788 2.627 ( 0.060 0.457 -0.782) 0.908 2.671 ( 0.535 2.492 0.497) 2.597 2.675 ( -1.305 4.342 0.836) 4.610 2.698 ( -0.811 1.247 -0.565) 1.591 2.773 ( -0.154 7.523 0.548) 7.545 2.809 ( -0.773 3.701 -0.690) 3.844 2.828 ( 1.408 6.005 1.902) 6.455 2.919 ( 0.422 2.191 0.140) 2.236 2.928 ( -0.787 2.489 -2.605) 3.688 2.949 ( -1.166 1.279 0.650) 1.849 3.005 ( 0.609 0.797 1.407) 1.728 3.046 ( 0.825 1.230 -1.644) 2.213 3.110 ( 1.236 2.246 1.348) 2.897 3.165 ( -0.130 1.318 0.017) 1.325 3.228 ( 0.167 0.131 0.705) 0.736 3.285 ( -0.716 0.120 -1.561) 1.722 3.378 ( -0.702 -0.023 1.375) 1.544 3.389 ( 0.368 0.272 -1.173) 1.259 3.442 ( 0.245 -0.365 -0.123) 0.456 3.453 ( -0.354 -0.187 -0.040) 0.402 3.728 ( 0.866 -0.537 -1.242) 1.606 3.731 ( -0.708 -0.322 1.246) 1.469 3.852 ( 0.181 -0.474 -0.359) 0.621 3.857 ( -0.366 -0.408 0.264) 0.609 3.878 ( 0.281 -0.518 0.193) 0.620 3.889 ( -0.106 -0.483 -0.040) 0.496 4.006 ( 0.145 -0.719 -0.107) 0.741 4.013 ( -0.271 -0.597 0.072) 0.660 4.237 ( -0.034 0.344 0.086) 0.356 4.238 ( 0.023 0.446 -0.089) 0.455 4.382 ( 0.167 0.054 -0.207) 0.272 4.384 ( -0.160 0.231 0.203) 0.347 4.546 ( 0.113 -1.167 0.082) 1.175 4.554 ( -0.170 -1.117 -0.086) 1.133 4.694 ( 0.294 -2.384 0.134) 2.406 4.705 ( -0.049 -2.391 -0.168) 2.397 4.779 ( 0.157 0.483 0.068) 0.512 4.790 ( -0.328 0.367 -0.031) 0.493 4.867 ( 0.175 2.319 0.223) 2.337 4.876 ( -0.016 2.107 -0.195) 2.116 5.102 ( 0.150 -0.210 -0.098) 0.276 5.106 ( -0.169 -0.068 0.118) 0.217 5.181 ( 0.007 -0.243 -0.001) 0.243 5.184 ( -0.110 -0.269 0.000) 0.290 7.382 ( -0.002 -0.367 0.191) 0.414 7.387 ( -0.053 -0.396 -0.121) 0.418 7.422 ( 0.018 -0.130 0.262) 0.294 7.427 ( 0.116 -0.143 -0.260) 0.319 8.002 ( 0.094 -0.130 0.264) 0.309 8.012 ( -0.043 -0.051 -0.178) 0.190 8.055 ( 0.204 -0.214 -0.121) 0.320 8.064 ( -0.299 -0.100 0.100) 0.331 8.122 ( -0.160 -0.239 0.654) 0.715 8.136 ( 0.001 0.385 -0.802) 0.890 8.183 ( 0.697 -0.402 -0.238) 0.839 8.208 ( -0.775 0.130 0.297) 0.840 8.379 ( 0.085 -0.247 0.322) 0.415 8.393 ( -0.187 -0.234 -0.420) 0.516 8.445 ( 0.282 0.366 0.535) 0.707 8.460 ( 0.029 0.350 -0.374) 0.514 ======================= Grid point 182 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 1.665 2.036 2.212) 3.436 0.706 ( -2.456 4.489 -2.750) 5.809 0.818 ( -0.196 4.960 1.794) 5.278 0.851 ( -1.712 2.153 -0.966) 2.916 0.896 ( -0.390 1.360 -0.323) 1.452 0.907 ( -1.368 -0.181 -1.830) 2.292 0.976 ( 0.346 0.169 1.727) 1.769 0.999 ( -0.441 -0.822 -0.238) 0.963 1.010 ( 2.050 1.690 -0.778) 2.769 1.030 ( -1.554 -0.246 1.077) 1.907 1.131 ( -0.012 -2.678 0.239) 2.688 1.146 ( -0.118 -3.323 -0.774) 3.414 1.174 ( 1.022 -2.560 1.520) 3.148 1.206 ( -0.200 -3.148 -1.301) 3.412 1.296 ( 3.298 -2.713 0.833) 4.351 1.367 ( -1.812 -2.943 -1.480) 3.759 1.479 ( 3.302 0.064 1.531) 3.640 1.557 ( 2.380 0.095 1.779) 2.973 1.573 ( -3.178 -0.384 0.334) 3.219 1.620 ( -1.099 -0.647 -1.718) 2.139 1.870 ( 0.100 0.240 -0.086) 0.274 1.873 ( -0.262 0.232 -0.108) 0.366 2.137 ( 1.008 7.523 0.127) 7.592 2.162 ( -1.334 11.012 -0.306) 11.096 2.187 ( -0.292 7.912 1.493) 8.057 2.205 ( 0.291 8.497 -1.855) 8.702 2.234 ( 1.137 5.208 1.927) 5.668 2.287 ( -1.767 4.112 -2.715) 5.234 2.375 ( 0.351 1.740 2.840) 3.349 2.406 ( 0.314 3.526 -1.147) 3.721 2.451 ( -0.343 2.964 0.479) 3.022 2.465 ( -0.802 2.291 -0.673) 2.519 2.532 ( 1.834 -1.065 -0.269) 2.138 2.551 ( -0.350 -2.544 0.408) 2.600 2.573 ( 1.428 1.060 0.559) 1.864 2.598 ( 0.444 -1.998 -0.115) 2.050 2.633 ( -0.622 -1.097 0.521) 1.364 2.640 ( -1.860 0.205 -0.056) 1.872 2.676 ( 0.049 -4.593 0.619) 4.634 2.700 ( 0.034 -2.960 -2.236) 3.710 2.777 ( 0.759 -7.855 -0.258) 7.895 2.794 ( -0.190 -5.048 -0.730) 5.104 2.855 ( 1.840 -4.818 1.845) 5.477 2.909 ( -1.223 -3.227 -0.982) 3.588 2.933 ( 0.476 -1.586 -1.851) 2.484 2.935 ( -1.807 -0.842 1.011) 2.235 3.011 ( 0.700 -0.775 1.415) 1.758 3.039 ( -0.559 -0.629 -0.656) 1.067 3.100 ( 0.072 -0.635 1.956) 2.057 3.138 ( -0.622 0.285 -2.862) 2.942 3.252 ( 1.289 -1.498 1.840) 2.700 3.288 ( -0.838 -1.026 -0.663) 1.481 3.383 ( 0.931 -0.414 -0.662) 1.216 3.391 ( -0.488 -0.556 0.563) 0.930 3.445 ( -0.028 0.159 0.887) 0.901 3.454 ( 0.056 -0.059 -0.626) 0.632 3.727 ( -0.729 0.655 1.319) 1.643 3.729 ( 0.634 0.498 -1.300) 1.530 3.853 ( -0.166 0.335 0.486) 0.613 3.857 ( 0.136 0.294 -0.534) 0.624 3.878 ( 0.353 0.713 0.038) 0.796 3.886 ( -0.363 0.662 -0.067) 0.758 4.009 ( 0.167 0.540 0.241) 0.615 4.014 ( -0.051 0.459 -0.204) 0.505 4.237 ( 0.073 -0.373 -0.057) 0.385 4.238 ( -0.071 -0.448 0.061) 0.457 4.382 ( -0.101 -0.074 0.297) 0.322 4.384 ( 0.105 -0.199 -0.301) 0.376 4.547 ( 0.209 1.144 0.152) 1.173 4.554 ( -0.188 1.090 -0.154) 1.117 4.693 ( 0.179 2.590 0.190) 2.603 4.701 ( -0.379 2.569 -0.186) 2.603 4.781 ( 0.292 -0.619 0.278) 0.739 4.790 ( -0.176 -0.554 -0.308) 0.658 4.867 ( 0.262 -2.092 0.058) 2.109 4.874 ( -0.334 -1.958 -0.042) 1.987 5.102 ( 0.020 0.176 0.224) 0.285 5.105 ( -0.003 0.070 -0.238) 0.248 5.182 ( 0.081 0.145 0.078) 0.183 5.184 ( -0.006 0.164 -0.077) 0.181 7.382 ( 0.161 0.380 -0.017) 0.413 7.386 ( -0.161 0.399 -0.074) 0.437 7.422 ( 0.184 0.248 -0.080) 0.319 7.426 ( -0.246 0.253 0.116) 0.371 8.002 ( 0.163 0.256 0.100) 0.320 8.009 ( -0.262 0.252 -0.238) 0.434 8.058 ( 0.157 -0.025 0.406) 0.436 8.064 ( -0.011 -0.046 -0.308) 0.312 8.123 ( 0.522 0.215 -0.285) 0.633 8.133 ( -0.784 -0.136 0.225) 0.827 8.190 ( 0.661 -0.093 0.735) 0.993 8.208 ( -0.251 -0.377 -0.622) 0.770 8.381 ( 0.392 0.276 0.067) 0.484 8.392 ( -0.506 0.190 -0.144) 0.559 8.444 ( 0.548 -0.070 0.026) 0.553 8.457 ( -0.579 -0.138 0.007) 0.595 ======================= Grid point 183 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -1.101 2.967 3.124) 4.447 0.612 ( -1.109 3.732 -3.087) 4.969 0.712 ( 1.315 5.785 3.481) 6.879 0.753 ( -2.847 4.401 -4.334) 6.802 0.905 ( 2.206 4.467 2.662) 5.649 0.926 ( -0.827 1.165 -0.367) 1.475 0.940 ( 0.213 -3.177 0.291) 3.197 0.955 ( -1.647 -0.830 -1.920) 2.662 1.026 ( -0.072 -0.166 1.285) 1.297 1.033 ( -0.231 0.110 -1.205) 1.232 1.197 ( 0.375 -4.091 3.448) 5.363 1.219 ( -0.339 -4.787 -3.514) 5.948 1.271 ( 1.371 -4.459 0.147) 4.667 1.283 ( -0.906 -4.352 -0.129) 4.447 1.366 ( 3.773 -2.065 -0.232) 4.307 1.397 ( -3.147 -1.060 -0.224) 3.328 1.501 ( 4.492 0.237 1.286) 4.678 1.538 ( -2.618 1.193 -0.157) 2.882 1.584 ( 2.985 0.741 2.188) 3.774 1.623 ( -2.967 -0.085 -1.538) 3.343 1.815 ( 1.674 10.506 0.398) 10.646 1.828 ( 0.313 9.566 -0.570) 9.588 1.841 ( -1.254 19.172 0.136) 19.213 1.845 ( -1.091 19.425 0.041) 19.455 1.963 ( 1.374 9.333 -1.235) 9.514 1.967 ( -0.975 8.371 1.305) 8.528 2.210 ( 1.410 0.220 2.441) 2.827 2.240 ( -1.963 0.292 -2.836) 3.461 2.357 ( -0.307 0.930 2.292) 2.493 2.366 ( 0.627 1.187 -2.034) 2.437 2.414 ( 0.353 1.368 0.389) 1.465 2.424 ( -1.154 1.527 -0.703) 2.039 2.546 ( 0.872 1.048 0.058) 1.365 2.555 ( -0.880 0.485 -0.010) 1.005 2.590 ( 3.996 -1.100 0.763) 4.214 2.620 ( -0.635 -0.654 -0.401) 0.996 2.633 ( 0.014 0.336 -0.362) 0.494 2.640 ( -2.921 -0.432 0.529) 2.999 2.735 ( -0.476 -1.584 1.670) 2.351 2.742 ( 0.616 -1.576 -2.601) 3.103 2.884 ( 1.132 -2.361 0.128) 2.622 2.892 ( -0.597 -3.017 -0.168) 3.080 2.959 ( 1.017 -2.934 -0.334) 3.123 2.968 ( -1.297 -2.823 0.096) 3.108 2.986 ( 1.313 -3.140 -0.033) 3.403 2.998 ( -1.405 -4.568 0.118) 4.780 3.083 ( -0.952 -7.513 1.564) 7.733 3.084 ( 0.522 -6.359 -1.331) 6.517 3.163 ( -1.161 -5.797 1.667) 6.143 3.165 ( 0.826 -4.643 -2.331) 5.260 3.294 ( 0.868 -1.898 1.575) 2.615 3.307 ( -0.640 -1.532 -0.857) 1.868 3.398 ( 1.549 -0.748 -1.450) 2.250 3.403 ( -1.110 -0.800 1.087) 1.747 3.445 ( 0.253 -0.000 1.670) 1.689 3.453 ( -0.091 -0.306 -0.999) 1.048 3.707 ( -0.648 1.522 1.437) 2.191 3.710 ( 0.464 1.439 -1.427) 2.079 3.841 ( -0.189 1.120 0.840) 1.413 3.844 ( 0.222 1.048 -0.846) 1.365 3.858 ( 0.512 1.516 -0.019) 1.601 3.863 ( -0.572 1.465 -0.080) 1.575 3.991 ( 0.261 1.482 0.449) 1.571 3.995 ( -0.122 1.387 -0.389) 1.445 4.250 ( 0.187 -0.976 -0.086) 0.998 4.252 ( -0.155 -1.014 0.084) 1.030 4.387 ( 0.077 -0.302 0.226) 0.385 4.389 ( -0.091 -0.365 -0.224) 0.437 4.511 ( 0.217 2.707 0.245) 2.727 4.515 ( -0.263 2.714 -0.251) 2.738 4.628 ( 0.295 4.073 0.233) 4.091 4.632 ( -0.420 4.077 -0.216) 4.105 4.801 ( 0.259 -1.108 0.335) 1.186 4.804 ( -0.091 -1.031 -0.356) 1.094 4.921 ( 0.143 -3.246 -0.018) 3.249 4.923 ( -0.358 -3.176 0.015) 3.196 5.097 ( 0.149 0.516 0.347) 0.640 5.100 ( -0.094 0.424 -0.387) 0.581 5.176 ( 0.056 0.625 0.113) 0.638 5.177 ( 0.053 0.655 -0.109) 0.666 7.371 ( 0.265 0.795 -0.169) 0.855 7.373 ( -0.219 0.839 0.089) 0.872 7.414 ( 0.165 0.674 -0.090) 0.700 7.416 ( -0.301 0.685 0.094) 0.754 7.995 ( 0.155 0.653 0.240) 0.713 7.999 ( -0.215 0.635 -0.409) 0.785 8.060 ( -0.014 0.015 0.800) 0.800 8.063 ( 0.221 0.057 -0.725) 0.760 8.121 ( 0.904 0.244 -0.371) 1.007 8.129 ( -1.235 0.173 0.242) 1.271 8.200 ( 0.695 -0.197 1.754) 1.897 8.213 ( -0.210 -0.441 -1.558) 1.633 8.373 ( 0.854 0.796 -0.130) 1.174 8.381 ( -0.937 0.589 0.043) 1.108 8.453 ( 0.874 -0.493 -0.273) 1.040 8.460 ( -1.015 -0.540 0.284) 1.184 ======================= Grid point 184 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 2.132 5.882 -4.624) 7.780 0.515 ( -2.132 5.882 4.624) 7.780 0.683 ( -1.909 0.286 -8.245) 8.468 0.683 ( 1.909 0.286 8.245) 8.468 0.834 ( -3.312 4.726 -3.055) 6.530 0.834 ( 3.312 4.726 3.055) 6.530 0.980 ( -1.092 2.559 -0.786) 2.891 0.980 ( 1.092 2.559 0.786) 2.891 1.055 ( 0.396 -3.566 -1.189) 3.779 1.055 ( -0.396 -3.566 1.189) 3.779 1.231 ( -0.963 8.793 -1.315) 8.942 1.231 ( 0.963 8.793 1.315) 8.942 1.296 ( 1.251 5.680 -1.907) 6.121 1.296 ( -1.251 5.680 1.907) 6.121 1.348 ( -0.711 3.085 -0.812) 3.269 1.348 ( 0.711 3.085 0.812) 3.269 1.452 ( 0.188 9.253 -1.346) 9.352 1.452 ( -0.188 9.253 1.346) 9.352 1.493 ( -1.822 5.419 -1.900) 6.025 1.493 ( 1.822 5.419 1.900) 6.025 1.569 ( -1.970 1.814 -0.310) 2.696 1.569 ( 1.970 1.814 0.310) 2.696 1.704 ( -2.232 -0.127 -1.696) 2.806 1.704 ( 2.232 -0.127 1.696) 2.806 1.922 ( -1.170 0.052 0.021) 1.171 1.922 ( 1.170 0.052 -0.021) 1.171 2.226 ( -1.185 -0.252 -2.645) 2.909 2.226 ( 1.185 -0.252 2.645) 2.909 2.348 ( 0.765 0.387 -2.570) 2.709 2.348 ( -0.765 0.387 2.570) 2.709 2.393 ( -0.254 1.335 -0.597) 1.484 2.393 ( 0.254 1.335 0.597) 1.484 2.527 ( -1.687 1.971 -0.573) 2.657 2.527 ( 1.687 1.971 0.573) 2.657 2.611 ( -0.484 0.670 -1.406) 1.631 2.611 ( 0.484 0.670 1.406) 1.631 2.637 ( -2.938 -0.395 -1.337) 3.252 2.637 ( 2.938 -0.395 1.337) 3.252 2.756 ( 0.509 -0.639 -1.483) 1.693 2.756 ( -0.509 -0.639 1.483) 1.693 2.920 ( -0.817 -1.269 -1.493) 2.123 2.920 ( 0.817 -1.269 1.493) 2.123 2.991 ( -0.197 -0.715 -3.087) 3.175 2.991 ( 0.197 -0.715 3.087) 3.175 3.054 ( -0.734 -3.854 -1.354) 4.150 3.054 ( 0.734 -3.854 1.354) 4.150 3.221 ( 0.498 -5.828 -0.521) 5.873 3.221 ( -0.498 -5.828 0.521) 5.873 3.283 ( 0.200 -6.585 -0.602) 6.615 3.283 ( -0.200 -6.585 0.602) 6.615 3.337 ( 0.263 -2.361 -1.320) 2.718 3.337 ( -0.263 -2.361 1.320) 2.718 3.412 ( 0.637 -0.552 -0.373) 0.921 3.412 ( -0.637 -0.552 0.373) 0.921 3.470 ( 1.289 -2.325 -0.910) 2.810 3.470 ( -1.289 -2.325 0.910) 2.810 3.675 ( 0.622 1.927 -1.647) 2.610 3.675 ( -0.622 1.927 1.647) 2.610 3.814 ( -0.001 1.926 -0.737) 2.062 3.814 ( 0.001 1.926 0.737) 2.062 3.832 ( -0.273 1.469 -0.326) 1.530 3.832 ( 0.273 1.469 0.326) 1.530 3.963 ( -0.323 1.707 -0.513) 1.812 3.963 ( 0.323 1.707 0.513) 1.812 4.271 ( 0.215 -1.105 -0.192) 1.142 4.271 ( -0.215 -1.105 0.192) 1.142 4.396 ( -0.288 -0.605 -0.163) 0.690 4.396 ( 0.288 -0.605 0.163) 0.690 4.458 ( -0.288 2.992 -0.280) 3.019 4.458 ( 0.288 2.992 0.280) 3.019 4.556 ( -0.330 3.808 -0.337) 3.837 4.556 ( 0.330 3.808 0.337) 3.837 4.822 ( 0.013 -0.936 -0.366) 1.006 4.822 ( -0.013 -0.936 0.366) 1.006 4.980 ( -0.180 -3.013 -0.027) 3.018 4.980 ( 0.180 -3.013 0.027) 3.018 5.085 ( -0.095 1.059 -0.576) 1.209 5.085 ( 0.095 1.059 0.576) 1.209 5.160 ( 0.003 1.154 -0.136) 1.162 5.160 ( -0.003 1.154 0.136) 1.162 7.356 ( 0.194 0.785 -0.363) 0.886 7.356 ( -0.194 0.785 0.363) 0.886 7.400 ( -0.015 0.840 -0.284) 0.887 7.400 ( 0.015 0.840 0.284) 0.887 7.980 ( -0.068 1.178 -0.735) 1.391 7.980 ( 0.068 1.178 0.735) 1.391 8.061 ( 0.504 0.058 -1.132) 1.240 8.061 ( -0.504 0.058 1.132) 1.240 8.120 ( 0.723 0.219 -1.241) 1.453 8.120 ( -0.723 0.219 1.241) 1.453 8.206 ( -0.784 0.669 -2.114) 2.352 8.206 ( 0.784 0.669 2.114) 2.352 8.364 ( -0.481 0.606 -0.563) 0.957 8.364 ( 0.481 0.606 0.563) 0.957 8.468 ( -0.056 -0.749 -0.440) 0.871 8.468 ( 0.056 -0.749 0.440) 0.871 ======================= Grid point 188 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 5.885 -0.000 -5.291) 7.914 0.437 ( -1.226 0.000 -2.493) 2.778 0.439 ( 7.654 -0.000 -7.343) 10.606 0.518 ( 2.961 -0.000 4.651) 5.514 0.620 ( -4.192 0.000 2.205) 4.737 0.621 ( -3.697 0.000 1.267) 3.908 0.691 ( 4.945 -0.000 2.403) 5.498 0.696 ( 6.370 -0.000 -13.771) 15.173 0.920 ( 7.021 -0.000 0.395) 7.032 0.945 ( -0.376 0.000 8.101) 8.109 1.003 ( -1.785 0.000 -1.823) 2.551 1.066 ( -1.666 0.000 2.776) 3.238 1.234 ( -1.446 0.000 0.271) 1.471 1.281 ( -0.293 0.000 0.581) 0.651 1.327 ( -0.718 0.000 0.981) 1.215 1.360 ( -5.223 0.000 0.519) 5.248 1.385 ( 3.496 -0.000 -2.828) 4.496 1.454 ( 1.243 -0.000 -1.162) 1.701 1.457 ( -2.195 0.000 -0.361) 2.225 1.469 ( -0.730 0.000 1.738) 1.885 1.511 ( 1.083 -0.000 -3.107) 3.290 1.592 ( -2.973 0.000 1.399) 3.286 1.679 ( -2.081 0.000 0.655) 2.182 1.726 ( -3.703 0.000 0.777) 3.783 1.929 ( 0.299 -0.000 0.936) 0.983 1.985 ( 2.218 -0.000 1.571) 2.718 2.235 ( 1.306 -0.000 -1.691) 2.137 2.247 ( 0.952 -0.000 3.765) 3.884 2.328 ( 1.793 -0.000 -3.136) 3.613 2.353 ( 0.558 -0.000 -0.574) 0.800 2.362 ( -1.014 0.000 2.064) 2.299 2.390 ( -1.287 0.000 1.163) 1.735 2.421 ( 0.537 -0.000 -2.117) 2.184 2.492 ( -0.103 0.000 -0.038) 0.110 2.520 ( -0.971 0.000 -0.214) 0.994 2.605 ( 0.664 -0.000 -0.666) 0.941 2.638 ( -2.766 0.000 1.602) 3.196 2.699 ( 2.646 -0.000 0.698) 2.737 2.750 ( -0.423 0.000 0.092) 0.433 2.776 ( -0.315 0.000 -1.793) 1.820 2.890 ( -3.461 0.000 -0.539) 3.503 2.915 ( -0.395 0.000 -3.233) 3.257 3.027 ( 2.697 -0.000 -0.047) 2.697 3.085 ( 2.876 -0.000 5.642) 6.333 3.164 ( -1.179 0.000 2.071) 2.383 3.165 ( -0.824 0.000 -2.719) 2.841 3.281 ( 0.727 -0.000 -2.250) 2.364 3.293 ( 1.199 -0.000 -0.595) 1.338 3.367 ( 1.625 -0.000 -2.145) 2.691 3.378 ( -0.680 0.000 3.017) 3.093 3.439 ( -1.223 0.000 1.108) 1.650 3.457 ( 0.461 -0.000 0.732) 0.865 3.460 ( -3.812 0.000 0.699) 3.875 3.472 ( -0.671 0.000 0.319) 0.743 3.475 ( -0.148 0.000 -0.071) 0.164 3.600 ( -1.613 0.000 -2.676) 3.125 3.629 ( -0.854 0.000 1.547) 1.767 3.633 ( 1.149 -0.000 -1.704) 2.056 3.751 ( 0.186 -0.000 -0.165) 0.249 3.761 ( -0.095 0.000 0.591) 0.599 3.793 ( 0.102 -0.000 -0.083) 0.132 3.814 ( -0.238 0.000 0.784) 0.819 3.916 ( -0.324 0.000 -0.517) 0.610 3.929 ( -1.183 0.000 0.044) 1.183 4.294 ( -0.196 0.000 0.212) 0.289 4.300 ( 0.099 -0.000 -0.075) 0.124 4.385 ( 0.416 -0.000 -0.154) 0.444 4.402 ( 0.992 -0.000 0.365) 1.057 4.424 ( -0.600 0.000 -0.417) 0.731 4.441 ( 0.129 -0.000 -0.330) 0.354 4.449 ( -0.249 0.000 0.378) 0.452 4.450 ( -0.299 0.000 0.266) 0.401 4.843 ( 0.498 -0.000 -0.488) 0.698 4.844 ( -0.111 0.000 0.500) 0.512 5.039 ( 0.166 -0.000 -0.114) 0.201 5.045 ( -0.053 0.000 0.056) 0.077 5.053 ( 0.105 -0.000 0.163) 0.194 5.055 ( -0.078 0.000 0.020) 0.081 5.114 ( 0.180 -0.000 -0.046) 0.186 5.127 ( 0.098 -0.000 0.172) 0.198 7.336 ( 0.069 -0.000 -0.325) 0.332 7.343 ( -0.462 0.000 0.471) 0.659 7.382 ( 0.262 -0.000 0.340) 0.429 7.390 ( 0.523 -0.000 -0.189) 0.556 7.938 ( -0.005 0.000 1.394) 1.394 7.944 ( 1.142 -0.000 -0.708) 1.343 8.048 ( -1.017 0.000 0.246) 1.047 8.049 ( -0.663 0.000 -0.453) 0.802 8.127 ( 0.160 -0.000 1.480) 1.488 8.139 ( 1.637 -0.000 -0.719) 1.788 8.161 ( 0.647 -0.000 1.149) 1.319 8.196 ( 3.631 -0.000 1.149) 3.809 8.332 ( -3.329 0.000 0.651) 3.392 8.358 ( 0.865 -0.000 -2.516) 2.661 8.467 ( 0.270 -0.000 -1.272) 1.300 8.497 ( -0.223 0.000 0.002) 0.223 ======================= Grid point 189 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 1.788 -4.036 -2.839) 5.249 0.515 ( 2.055 -7.357 -5.871) 9.634 0.558 ( 5.216 -6.451 -4.316) 9.352 0.634 ( -0.084 -2.461 1.039) 2.673 0.729 ( 0.354 -13.972 3.790) 14.481 0.754 ( 0.688 -12.864 -3.525) 13.356 0.837 ( -0.090 -15.679 0.894) 15.705 0.868 ( 4.934 -10.734 1.400) 11.896 0.951 ( 4.229 -4.396 1.075) 6.194 0.996 ( -2.297 -0.582 -0.117) 2.372 1.026 ( 2.652 -7.670 1.608) 8.273 1.098 ( -2.297 -4.198 0.031) 4.785 1.196 ( 1.248 1.715 1.161) 2.418 1.261 ( -1.645 2.501 0.762) 3.089 1.298 ( -0.063 -1.167 -0.368) 1.225 1.335 ( -1.671 1.610 -0.543) 2.383 1.408 ( -0.901 0.378 0.286) 1.018 1.442 ( -2.148 -0.207 0.331) 2.183 1.466 ( 0.438 -1.038 -0.617) 1.284 1.470 ( 0.024 -0.140 -2.206) 2.211 1.502 ( 0.134 0.790 -1.805) 1.975 1.560 ( -3.201 1.896 1.127) 3.888 1.634 ( -2.485 2.795 0.973) 3.864 1.717 ( -2.731 0.409 -0.007) 2.761 1.924 ( 0.388 0.760 0.935) 1.266 1.977 ( 0.782 1.586 0.099) 1.771 2.220 ( 1.918 1.342 -0.915) 2.513 2.270 ( 0.694 -0.429 2.548) 2.675 2.342 ( 1.693 -0.655 -2.171) 2.830 2.361 ( -0.084 -1.856 0.279) 1.879 2.372 ( -0.909 0.450 1.855) 2.114 2.395 ( 0.990 -1.480 1.206) 2.150 2.460 ( -0.412 -3.650 -0.230) 3.680 2.489 ( -2.036 -0.523 -1.132) 2.388 2.532 ( 1.041 -0.713 0.621) 1.406 2.612 ( 0.330 -0.440 -0.403) 0.682 2.619 ( -1.313 0.721 0.044) 1.499 2.714 ( 1.637 -0.228 -0.031) 1.653 2.757 ( -1.846 0.578 -1.307) 2.335 2.758 ( -0.824 -0.499 -0.224) 0.989 2.879 ( -1.966 -0.269 0.464) 2.038 2.914 ( -0.120 -0.810 -2.961) 3.072 3.024 ( 2.803 1.655 0.135) 3.258 3.101 ( 2.073 1.244 5.464) 5.975 3.108 ( 0.221 3.763 0.048) 3.770 3.159 ( 0.423 1.990 0.383) 2.070 3.240 ( -0.193 2.896 -1.384) 3.216 3.298 ( 0.087 1.143 -1.951) 2.263 3.360 ( 1.742 1.099 -2.126) 2.960 3.368 ( -0.405 2.143 1.900) 2.892 3.397 ( 0.561 4.127 -0.933) 4.268 3.410 ( -2.000 2.348 1.723) 3.533 3.423 ( -1.496 3.139 1.759) 3.897 3.441 ( -0.488 2.165 0.779) 2.352 3.452 ( -1.441 2.419 -0.137) 2.819 3.530 ( -1.405 4.162 -4.841) 6.537 3.647 ( 1.138 -1.366 -0.695) 1.909 3.653 ( 0.022 -1.739 0.789) 1.910 3.769 ( 0.434 -1.917 -0.430) 2.012 3.784 ( -0.444 -1.946 0.543) 2.069 3.803 ( 0.363 -0.932 0.289) 1.041 3.822 ( -0.148 -0.849 0.452) 0.973 3.921 ( -0.108 -1.075 -0.327) 1.129 3.939 ( -0.636 -1.303 -0.187) 1.462 4.284 ( -0.251 0.843 0.352) 0.947 4.291 ( 0.037 0.841 -0.272) 0.885 4.401 ( -0.012 0.749 -0.038) 0.750 4.407 ( 0.124 -1.556 -0.103) 1.564 4.419 ( 0.190 0.332 0.219) 0.441 4.428 ( 0.704 -1.432 -0.152) 1.603 4.482 ( -0.155 -3.075 -0.043) 3.079 4.495 ( -0.410 -3.135 0.088) 3.162 4.836 ( 0.230 0.823 -0.231) 0.885 4.839 ( -0.112 0.643 0.278) 0.709 5.029 ( 0.154 1.838 0.146) 1.851 5.035 ( 0.208 1.873 -0.087) 1.887 5.054 ( -0.084 -1.185 0.233) 1.211 5.068 ( -0.234 -1.376 0.174) 1.407 5.130 ( 0.008 -1.302 -0.005) 1.302 5.138 ( -0.161 -0.973 0.060) 0.988 7.341 ( 0.111 -0.564 -0.285) 0.641 7.345 ( -0.447 -0.360 0.411) 0.706 7.390 ( 0.374 -0.602 0.197) 0.736 7.396 ( 0.347 -0.461 -0.039) 0.578 7.951 ( 0.103 -1.191 0.943) 1.522 7.968 ( 0.157 -1.504 0.242) 1.532 8.046 ( -1.279 -0.291 0.739) 1.506 8.047 ( -0.208 -0.136 -1.101) 1.129 8.125 ( 0.303 0.511 1.118) 1.266 8.147 ( 1.428 -0.324 -0.661) 1.607 8.163 ( 0.892 0.159 -0.359) 0.974 8.232 ( 0.227 -0.483 1.654) 1.738 8.319 ( -1.302 -0.865 1.001) 1.856 8.369 ( 0.221 -0.904 -1.466) 1.737 8.466 ( 0.626 0.100 -0.534) 0.829 8.493 ( -0.102 0.295 -0.206) 0.374 ======================= Grid point 190 (86/95) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 1.814 -5.882 -2.455) 6.627 0.632 ( 3.283 -4.852 -2.172) 6.248 0.649 ( 1.074 -5.265 -1.871) 5.690 0.691 ( 2.719 -2.680 0.121) 3.820 0.850 ( 0.598 0.203 5.476) 5.512 0.909 ( 1.662 -2.602 -0.961) 3.234 0.977 ( -1.525 -1.753 -1.544) 2.790 1.002 ( 3.392 -2.635 0.403) 4.314 1.021 ( -2.436 -1.618 -0.594) 2.984 1.056 ( -0.684 2.464 1.303) 2.870 1.218 ( 1.540 -1.211 0.581) 2.043 1.264 ( 0.376 -9.843 0.253) 9.853 1.297 ( -0.325 1.128 0.327) 1.218 1.314 ( 0.743 -6.907 -2.305) 7.320 1.330 ( 0.938 -5.888 1.627) 6.181 1.374 ( -0.465 -1.895 0.334) 1.979 1.390 ( -1.570 -5.682 1.096) 5.996 1.454 ( -2.252 -5.352 2.040) 6.154 1.471 ( -1.714 -7.646 -3.793) 8.705 1.486 ( -1.209 -6.396 -3.634) 7.455 1.535 ( 0.767 -3.860 -0.033) 3.935 1.549 ( 0.288 -6.941 0.616) 6.974 1.608 ( -2.474 -2.567 2.222) 4.201 1.689 ( -2.517 -0.254 -2.421) 3.502 1.917 ( 0.265 0.263 1.028) 1.094 1.948 ( 0.053 1.224 -0.868) 1.501 2.207 ( 2.626 0.869 -0.709) 2.855 2.276 ( -1.328 0.083 1.068) 1.706 2.355 ( 1.031 -0.276 -0.073) 1.070 2.369 ( 1.021 -0.153 0.947) 1.401 2.410 ( 0.435 -2.543 -0.222) 2.590 2.426 ( 0.362 -0.932 1.810) 2.068 2.497 ( -1.887 -1.462 0.326) 2.409 2.523 ( -0.236 -2.866 0.373) 2.899 2.546 ( 1.269 -0.122 -0.129) 1.281 2.604 ( -0.310 0.200 -0.148) 0.397 2.622 ( 0.206 -0.400 -0.938) 1.041 2.708 ( -2.975 0.921 -2.140) 3.779 2.729 ( 1.017 0.413 0.227) 1.121 2.769 ( -0.882 -0.120 0.908) 1.272 2.882 ( -0.138 -0.078 1.510) 1.518 2.920 ( 0.084 -0.166 -2.313) 2.320 2.997 ( 1.636 2.010 0.242) 2.603 3.029 ( -0.141 4.302 -0.188) 4.309 3.087 ( 2.220 3.121 3.593) 5.251 3.113 ( 1.259 3.513 0.847) 3.827 3.170 ( -1.225 4.154 0.164) 4.334 3.221 ( -0.457 6.161 -2.470) 6.653 3.280 ( 0.085 6.169 0.996) 6.249 3.300 ( 0.027 5.317 -0.253) 5.323 3.332 ( 0.777 4.090 -0.883) 4.256 3.346 ( -0.023 3.579 -0.206) 3.585 3.392 ( -2.716 0.590 3.218) 4.252 3.406 ( -0.077 0.742 -2.646) 2.749 3.424 ( 0.372 0.164 0.258) 0.481 3.457 ( -0.591 1.550 -2.413) 2.929 3.679 ( 1.288 -1.740 -1.175) 2.463 3.689 ( -0.496 -1.774 1.166) 2.181 3.807 ( 0.450 -1.851 -0.612) 2.001 3.817 ( -0.757 -1.625 0.514) 1.865 3.831 ( 0.399 -1.592 0.538) 1.727 3.845 ( -0.012 -1.474 -0.011) 1.474 3.949 ( 0.170 -1.869 -0.162) 1.884 3.964 ( -0.555 -1.690 -0.096) 1.781 4.267 ( -0.211 1.003 0.389) 1.097 4.272 ( 0.020 1.117 -0.368) 1.176 4.391 ( 0.134 0.403 0.077) 0.431 4.400 ( -0.153 0.586 -0.094) 0.613 4.460 ( 0.561 -2.755 -0.056) 2.812 4.469 ( 0.080 -2.560 -0.004) 2.561 4.550 ( 0.158 -4.126 0.143) 4.131 4.560 ( -0.231 -4.061 -0.121) 4.069 4.817 ( 0.044 1.225 -0.103) 1.230 4.822 ( -0.340 1.049 0.141) 1.112 4.986 ( 0.372 2.926 0.180) 2.955 4.990 ( 0.342 2.993 -0.129) 3.015 5.077 ( 0.081 -1.135 0.118) 1.144 5.089 ( -0.471 -0.964 0.107) 1.078 5.155 ( -0.113 -1.255 -0.036) 1.261 5.157 ( -0.240 -1.066 0.025) 1.093 7.354 ( -0.188 -0.808 0.256) 0.868 7.355 ( -0.031 -0.910 -0.119) 0.919 7.405 ( 0.409 -0.743 -0.048) 0.850 7.408 ( 0.116 -0.723 0.149) 0.748 7.979 ( 0.328 -1.279 0.502) 1.412 7.993 ( -0.170 -1.048 0.442) 1.150 8.046 ( 0.069 -0.132 -1.081) 1.092 8.051 ( -1.126 -0.534 0.729) 1.444 8.121 ( 0.100 0.329 1.129) 1.180 8.154 ( -0.473 0.025 -2.017) 2.072 8.164 ( 2.156 -0.064 0.064) 2.158 8.222 ( -1.813 0.619 0.535) 1.989 8.349 ( 0.114 -1.463 1.480) 2.084 8.379 ( -0.102 -0.513 -0.913) 1.052 8.464 ( 0.535 0.414 0.499) 0.841 8.483 ( 0.204 0.646 -0.617) 0.916 ======================= Grid point 191 (87/95) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 3.604 -4.554 2.124) 6.184 0.710 ( 4.135 -2.770 -0.029) 4.977 0.750 ( 1.923 -3.123 -0.406) 3.690 0.763 ( -3.686 -7.052 -2.543) 8.354 0.876 ( 0.350 -2.184 2.392) 3.258 0.917 ( -0.405 -0.320 -1.230) 1.334 0.958 ( 0.247 3.575 -0.045) 3.583 0.972 ( -1.031 1.312 -0.768) 1.837 1.042 ( 2.105 0.011 0.804) 2.253 1.071 ( 0.618 -0.536 -0.783) 1.132 1.181 ( 2.083 3.020 -0.763) 3.747 1.219 ( -2.676 5.181 0.019) 5.831 1.246 ( -0.503 3.932 1.056) 4.102 1.271 ( -1.640 4.281 -0.829) 4.659 1.312 ( 0.344 3.922 2.703) 4.775 1.364 ( -2.117 2.685 -2.678) 4.343 1.457 ( 0.953 -1.740 1.324) 2.385 1.514 ( -2.649 -2.181 0.240) 3.440 1.548 ( 1.275 -1.056 0.881) 1.876 1.610 ( -1.711 -0.827 -3.315) 3.821 1.794 ( 0.412 -12.289 -0.147) 12.297 1.811 ( -0.965 -12.198 -0.457) 12.244 1.869 ( 0.988 -20.780 -0.269) 20.805 1.877 ( -0.069 -20.155 0.274) 20.157 1.952 ( -0.473 -7.048 1.384) 7.198 1.961 ( 0.236 -6.448 -1.223) 6.567 2.207 ( 2.716 0.309 0.124) 2.736 2.267 ( -2.362 -0.154 -0.683) 2.464 2.358 ( 0.083 0.349 2.059) 2.090 2.379 ( 1.298 0.042 -1.462) 1.955 2.443 ( -0.342 -0.936 1.522) 1.819 2.450 ( -0.002 -1.540 -1.151) 1.923 2.518 ( 0.531 -0.686 2.295) 2.454 2.550 ( -0.038 -0.228 -0.656) 0.696 2.565 ( 1.844 -1.190 0.000) 2.194 2.600 ( -0.565 0.198 -0.153) 0.618 2.625 ( 0.268 -0.238 -0.918) 0.985 2.674 ( -4.800 0.131 -0.579) 4.837 2.727 ( 2.653 1.376 -0.377) 3.013 2.751 ( -0.711 2.039 0.868) 2.328 2.872 ( -0.009 2.191 1.302) 2.549 2.887 ( -0.447 3.596 -0.451) 3.651 2.966 ( 0.626 2.526 -0.588) 2.668 2.976 ( -0.494 1.486 0.086) 1.568 2.997 ( 0.770 7.632 1.083) 7.747 3.013 ( -0.077 7.390 -0.044) 7.391 3.084 ( -0.006 6.365 0.490) 6.384 3.093 ( 0.575 4.440 -1.437) 4.702 3.196 ( 1.044 5.408 1.088) 5.614 3.204 ( 0.590 2.784 1.580) 3.255 3.254 ( -0.070 3.032 -0.006) 3.032 3.289 ( -1.045 1.688 -2.698) 3.350 3.382 ( -1.313 0.323 2.475) 2.820 3.393 ( 0.438 0.390 -2.287) 2.361 3.432 ( 0.736 -0.649 -0.457) 1.082 3.445 ( -0.869 -0.285 0.004) 0.915 3.711 ( 1.148 -1.337 -1.266) 2.170 3.716 ( -0.811 -1.172 1.251) 1.897 3.836 ( 0.456 -1.224 -0.646) 1.457 3.841 ( -0.699 -1.129 0.551) 1.438 3.862 ( 0.396 -1.345 0.394) 1.457 3.871 ( -0.148 -1.284 -0.138) 1.300 3.984 ( 0.313 -1.643 -0.151) 1.680 3.992 ( -0.543 -1.463 0.060) 1.562 4.249 ( -0.081 0.887 0.261) 0.928 4.251 ( 0.023 0.959 -0.263) 0.995 4.386 ( 0.200 0.296 0.001) 0.358 4.390 ( -0.167 0.414 -0.007) 0.446 4.511 ( 0.318 -2.468 -0.001) 2.488 4.517 ( -0.270 -2.504 -0.012) 2.518 4.630 ( 0.404 -4.200 0.180) 4.223 4.638 ( -0.132 -4.231 -0.183) 4.238 4.795 ( 0.156 1.078 -0.000) 1.089 4.801 ( -0.457 0.938 0.037) 1.044 4.927 ( 0.264 3.518 0.204) 3.534 4.931 ( 0.129 3.393 -0.186) 3.400 5.095 ( 0.259 -0.633 -0.032) 0.685 5.101 ( -0.363 -0.469 0.097) 0.601 5.172 ( -0.027 -0.713 -0.045) 0.715 5.173 ( -0.182 -0.774 0.040) 0.797 7.370 ( -0.099 -0.850 0.364) 0.930 7.373 ( -0.003 -0.936 -0.250) 0.969 7.418 ( 0.110 -0.472 0.289) 0.565 7.421 ( 0.157 -0.504 -0.265) 0.591 7.998 ( 0.256 -0.527 0.446) 0.737 8.007 ( -0.112 -0.470 -0.134) 0.502 8.049 ( 0.386 -0.375 -0.465) 0.712 8.057 ( -0.760 -0.407 0.363) 0.936 8.121 ( -0.007 0.011 1.189) 1.189 8.141 ( -0.389 0.409 -1.658) 1.752 8.178 ( 1.648 -0.423 -0.185) 1.711 8.207 ( -1.617 0.237 0.420) 1.687 8.373 ( 0.135 -0.695 0.808) 1.074 8.385 ( -0.184 -0.415 -0.728) 0.858 8.458 ( 0.309 0.626 0.921) 1.156 8.470 ( 0.174 0.685 -0.805) 1.071 ======================= Grid point 192 (88/95) ======================= q-point: ( 0.67 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 5.633 2.167 1.588) 6.240 0.748 ( -3.834 1.664 -0.421) 4.200 0.826 ( 1.149 -4.409 2.268) 5.090 0.858 ( -2.434 -4.545 -3.152) 6.043 0.893 ( 1.856 1.271 -0.354) 2.277 0.909 ( -1.625 1.158 -0.155) 2.001 0.973 ( 0.086 -4.522 1.016) 4.636 0.981 ( -0.094 -3.405 -1.252) 3.629 1.006 ( 1.042 3.642 1.581) 4.105 1.024 ( -0.697 3.734 -1.872) 4.235 1.142 ( 0.008 2.805 1.284) 3.085 1.148 ( 0.337 1.799 -1.302) 2.246 1.184 ( -0.165 2.354 2.601) 3.512 1.196 ( -0.059 2.444 -2.011) 3.165 1.281 ( 1.988 -0.006 2.162) 2.937 1.315 ( -2.594 -0.243 -2.536) 3.636 1.490 ( 3.230 -0.875 1.672) 3.741 1.533 ( -4.307 -1.560 -0.628) 4.623 1.571 ( 2.155 -0.350 2.354) 3.210 1.602 ( -1.350 -0.330 -3.146) 3.439 1.868 ( 0.530 -0.473 -0.451) 0.842 1.872 ( -0.704 -0.248 0.328) 0.815 2.151 ( 1.754 -7.011 -0.296) 7.233 2.166 ( -1.762 -8.012 0.269) 8.208 2.201 ( 1.093 -9.119 -0.076) 9.185 2.209 ( -0.728 -9.448 -0.080) 9.477 2.241 ( 2.180 -5.368 3.351) 6.693 2.282 ( -2.325 -4.654 -3.875) 6.487 2.365 ( 0.965 -1.513 1.806) 2.546 2.382 ( -0.915 -2.188 -1.455) 2.783 2.466 ( 0.222 -1.507 1.014) 1.830 2.474 ( -0.218 -1.672 -0.869) 1.897 2.537 ( 0.671 -0.233 0.548) 0.897 2.543 ( -0.385 0.621 0.229) 0.765 2.576 ( 1.502 1.408 -0.081) 2.061 2.586 ( -0.593 1.660 -0.125) 1.768 2.630 ( 1.851 -0.004 -0.470) 1.910 2.653 ( -3.501 0.713 0.717) 3.644 2.681 ( 0.429 3.781 0.761) 3.880 2.689 ( -0.111 2.927 -1.237) 3.179 2.780 ( 0.819 6.955 0.791) 7.048 2.794 ( -1.170 5.807 -0.988) 6.005 2.860 ( 2.387 4.272 3.035) 5.758 2.898 ( -2.259 3.455 -3.154) 5.195 2.927 ( 0.913 1.554 0.516) 1.875 2.939 ( -1.082 1.397 -0.401) 1.812 3.022 ( 0.554 1.004 2.629) 2.868 3.038 ( 0.027 1.068 -2.560) 2.774 3.132 ( 1.550 2.649 1.976) 3.650 3.154 ( -1.117 2.377 -1.649) 3.101 3.243 ( 1.150 -0.544 2.202) 2.543 3.266 ( -1.248 -0.352 -2.234) 2.583 3.381 ( -0.424 -0.061 1.497) 1.557 3.385 ( 0.342 0.059 -1.401) 1.443 3.444 ( 0.332 -0.370 0.147) 0.518 3.449 ( -0.388 -0.316 -0.195) 0.537 3.729 ( 0.858 -0.426 -1.209) 1.542 3.730 ( -0.792 -0.340 1.214) 1.489 3.852 ( 0.273 -0.485 -0.235) 0.604 3.854 ( -0.367 -0.461 0.182) 0.616 3.882 ( 0.400 -0.452 0.202) 0.637 3.886 ( -0.320 -0.441 -0.131) 0.560 4.008 ( 0.300 -0.737 -0.047) 0.797 4.011 ( -0.345 -0.687 0.035) 0.769 4.237 ( -0.012 0.369 0.099) 0.383 4.237 ( 0.006 0.410 -0.100) 0.422 4.383 ( 0.203 0.110 -0.172) 0.288 4.384 ( -0.198 0.181 0.169) 0.317 4.548 ( 0.239 -1.161 0.161) 1.196 4.551 ( -0.264 -1.145 -0.163) 1.186 4.698 ( 0.357 -2.305 0.250) 2.346 4.702 ( -0.264 -2.310 -0.268) 2.341 4.782 ( 0.356 0.397 0.166) 0.558 4.786 ( -0.423 0.351 -0.152) 0.571 4.870 ( 0.251 2.305 0.301) 2.338 4.874 ( -0.182 2.219 -0.285) 2.245 5.103 ( 0.215 -0.172 -0.061) 0.282 5.105 ( -0.222 -0.116 0.069) 0.259 5.182 ( 0.073 -0.286 0.026) 0.297 5.183 ( -0.114 -0.297 -0.026) 0.319 7.383 ( 0.072 -0.370 0.231) 0.442 7.385 ( -0.100 -0.381 -0.210) 0.447 7.424 ( 0.033 -0.098 0.321) 0.338 7.426 ( 0.026 -0.103 -0.314) 0.332 8.005 ( 0.184 -0.054 0.381) 0.427 8.009 ( -0.180 -0.012 -0.366) 0.409 8.057 ( 0.378 -0.251 -0.000) 0.453 8.061 ( -0.396 -0.193 0.013) 0.441 8.125 ( 0.032 -0.100 0.840) 0.846 8.131 ( -0.163 0.136 -0.927) 0.951 8.191 ( 1.143 -0.273 -0.111) 1.180 8.200 ( -1.111 -0.074 0.160) 1.125 8.383 ( 0.256 -0.227 0.470) 0.581 8.388 ( -0.313 -0.231 -0.522) 0.651 8.451 ( 0.377 0.438 0.613) 0.843 8.457 ( -0.235 0.423 -0.535) 0.722 ======================= Grid point 193 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -2.308 3.703 -3.436) 5.554 0.666 ( 2.308 3.703 3.436) 5.554 0.831 ( -0.798 4.585 -2.110) 5.110 0.831 ( 0.798 4.585 2.110) 5.110 0.894 ( 0.178 -0.348 -0.793) 0.884 0.894 ( -0.178 -0.348 0.793) 0.884 0.990 ( -0.756 -0.320 -1.121) 1.389 0.990 ( 0.756 -0.320 1.121) 1.389 1.021 ( 1.534 0.803 -1.409) 2.233 1.021 ( -1.534 0.803 1.409) 2.233 1.137 ( 0.393 -2.693 -1.936) 3.340 1.137 ( -0.393 -2.693 1.936) 3.340 1.193 ( -0.769 -3.173 -2.000) 3.829 1.193 ( 0.769 -3.173 2.000) 3.829 1.333 ( -3.431 -2.963 -1.427) 4.752 1.333 ( 3.431 -2.963 1.427) 4.752 1.527 ( -4.133 -0.305 -1.870) 4.547 1.527 ( 4.133 -0.305 1.870) 4.547 1.595 ( -1.893 -0.562 -2.714) 3.356 1.595 ( 1.893 -0.562 2.714) 3.356 1.871 ( 0.393 0.212 -0.600) 0.748 1.871 ( -0.393 0.212 0.600) 0.748 2.149 ( -0.686 9.527 -0.620) 9.572 2.149 ( 0.686 9.527 0.620) 9.572 2.195 ( 0.344 7.815 -2.323) 8.160 2.195 ( -0.344 7.815 2.323) 8.160 2.258 ( -1.420 4.875 -2.628) 5.717 2.258 ( 1.420 4.875 2.628) 5.717 2.394 ( -0.539 2.479 -2.629) 3.654 2.394 ( 0.539 2.479 2.629) 3.654 2.456 ( -0.054 2.976 -1.324) 3.258 2.456 ( 0.054 2.976 1.324) 3.258 2.545 ( 0.720 -2.057 -0.790) 2.318 2.545 ( -0.720 -2.057 0.790) 2.318 2.592 ( -0.014 -0.073 -1.295) 1.297 2.592 ( 0.014 -0.073 1.295) 1.297 2.630 ( 0.073 -0.853 -0.548) 1.017 2.630 ( -0.073 -0.853 0.548) 1.017 2.686 ( -0.348 -3.557 -2.007) 4.099 2.686 ( 0.348 -3.557 2.007) 4.099 2.786 ( -0.704 -6.792 -0.657) 6.859 2.786 ( 0.704 -6.792 0.657) 6.859 2.884 ( -2.191 -3.870 -1.985) 4.870 2.884 ( 2.191 -3.870 1.985) 4.870 2.930 ( 1.283 -1.228 -1.925) 2.619 2.930 ( -1.283 -1.228 1.925) 2.619 3.026 ( 0.178 -0.532 -2.586) 2.646 3.026 ( -0.178 -0.532 2.586) 2.646 3.117 ( -0.521 -0.000 -3.037) 3.081 3.117 ( 0.521 -0.000 3.037) 3.081 3.273 ( 0.278 -1.359 -2.941) 3.252 3.273 ( -0.278 -1.359 2.941) 3.252 3.388 ( 0.795 -0.533 -1.152) 1.498 3.388 ( -0.795 -0.533 1.152) 1.498 3.450 ( 0.165 -0.006 -1.097) 1.109 3.450 ( -0.165 -0.006 1.097) 1.109 3.728 ( 0.699 0.605 -1.375) 1.657 3.728 ( -0.699 0.605 1.375) 1.657 3.855 ( 0.336 0.293 -0.811) 0.925 3.855 ( -0.336 0.293 0.811) 0.925 3.882 ( 0.090 0.719 -0.537) 0.902 3.882 ( -0.090 0.719 0.537) 0.902 4.012 ( -0.130 0.470 -0.276) 0.560 4.012 ( 0.130 0.470 0.276) 0.560 4.237 ( 0.077 -0.413 -0.100) 0.432 4.237 ( -0.077 -0.413 0.100) 0.432 4.383 ( 0.102 -0.135 -0.320) 0.362 4.383 ( -0.102 -0.135 0.320) 0.362 4.550 ( -0.171 1.114 -0.273) 1.160 4.550 ( 0.171 1.114 0.273) 1.160 4.696 ( -0.366 2.608 -0.252) 2.646 4.696 ( 0.366 2.608 0.252) 2.646 4.786 ( -0.322 -0.618 -0.356) 0.782 4.786 ( 0.322 -0.618 0.356) 0.782 4.870 ( -0.133 -1.984 -0.279) 2.008 4.870 ( 0.133 -1.984 0.279) 2.008 5.104 ( -0.043 0.120 -0.254) 0.284 5.104 ( 0.043 0.120 0.254) 0.284 5.183 ( -0.062 0.136 -0.092) 0.175 5.183 ( 0.062 0.136 0.092) 0.175 7.384 ( -0.171 0.390 -0.075) 0.433 7.384 ( 0.171 0.390 0.075) 0.433 7.424 ( 0.205 0.273 -0.362) 0.498 7.424 ( -0.205 0.273 0.362) 0.498 8.005 ( 0.203 0.278 -0.677) 0.760 8.005 ( -0.203 0.278 0.677) 0.760 8.061 ( -0.131 -0.066 -0.386) 0.413 8.061 ( 0.131 -0.066 0.386) 0.413 8.127 ( 0.453 0.076 -0.828) 0.947 8.127 ( -0.453 0.076 0.828) 0.947 8.200 ( 0.026 -0.319 -1.316) 1.354 8.200 ( -0.026 -0.319 1.316) 1.354 8.386 ( -0.518 0.236 -0.211) 0.607 8.386 ( 0.518 0.236 0.211) 0.607 8.451 ( -0.676 -0.061 -0.098) 0.686 8.451 ( 0.676 -0.061 0.098) 0.686 ======================= Grid point 199 (90/95) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 6.068 -0.000 -3.701) 7.108 0.404 ( -2.379 0.000 -1.294) 2.708 0.429 ( 1.851 -0.000 -10.146) 10.313 0.536 ( -4.437 0.000 2.250) 4.975 0.607 ( -1.950 0.000 2.843) 3.447 0.608 ( 0.232 -0.000 0.331) 0.404 0.727 ( 12.446 -0.000 -7.138) 14.347 0.759 ( 5.619 -0.000 3.412) 6.574 0.968 ( 0.599 -0.000 -1.198) 1.339 0.976 ( -1.007 0.000 5.615) 5.704 0.990 ( 5.317 -0.000 -2.588) 5.913 1.062 ( -1.951 0.000 2.518) 3.185 1.232 ( -0.183 0.000 1.298) 1.311 1.281 ( -1.028 0.000 -0.029) 1.028 1.304 ( -6.385 0.000 0.956) 6.456 1.316 ( -3.166 0.000 1.378) 3.453 1.400 ( 2.988 -0.000 -3.515) 4.613 1.427 ( -2.626 0.000 -0.972) 2.800 1.463 ( 1.025 -0.000 -0.028) 1.026 1.470 ( -0.928 0.000 1.693) 1.931 1.510 ( 2.399 -0.000 -3.845) 4.532 1.561 ( -4.474 0.000 0.924) 4.569 1.677 ( -0.334 0.000 1.446) 1.484 1.702 ( -2.819 0.000 1.386) 3.141 1.940 ( 1.248 -0.000 0.899) 1.538 1.997 ( -0.769 0.000 0.738) 1.065 2.246 ( 2.536 -0.000 -0.579) 2.602 2.279 ( 1.205 -0.000 3.570) 3.768 2.332 ( 2.379 -0.000 -2.805) 3.677 2.356 ( 0.611 -0.000 -0.434) 0.750 2.358 ( -2.180 0.000 1.764) 2.804 2.379 ( -2.125 0.000 0.764) 2.258 2.417 ( 1.103 -0.000 -1.830) 2.137 2.471 ( -2.606 0.000 -1.221) 2.878 2.543 ( 3.666 -0.000 2.544) 4.462 2.608 ( 0.702 -0.000 -0.697) 0.990 2.619 ( -2.177 0.000 0.797) 2.318 2.717 ( 1.284 -0.000 -1.313) 1.836 2.746 ( -0.499 0.000 -0.101) 0.509 2.749 ( -2.783 0.000 -2.489) 3.734 2.866 ( -1.958 0.000 1.121) 2.256 2.896 ( -0.223 0.000 -3.138) 3.146 3.054 ( 3.074 -0.000 0.132) 3.077 3.127 ( -1.836 0.000 2.521) 3.119 3.159 ( 3.739 -0.000 1.118) 3.903 3.174 ( 0.350 -0.000 3.162) 3.181 3.271 ( 0.496 -0.000 -3.560) 3.594 3.297 ( 0.110 -0.000 -0.653) 0.662 3.370 ( 1.856 -0.000 -2.469) 3.089 3.386 ( -1.202 0.000 3.217) 3.434 3.420 ( -4.421 0.000 3.964) 5.937 3.454 ( 1.205 -0.000 -0.829) 1.462 3.462 ( -0.137 0.000 0.111) 0.177 3.468 ( -0.383 0.000 0.465) 0.603 3.474 ( -0.099 0.000 -0.032) 0.104 3.543 ( -4.435 0.000 -5.936) 7.410 3.636 ( 1.427 -0.000 -1.598) 2.143 3.637 ( -0.253 0.000 2.046) 2.062 3.752 ( 0.255 -0.000 -0.223) 0.339 3.761 ( -0.375 0.000 0.384) 0.537 3.797 ( 0.586 -0.000 0.233) 0.630 3.814 ( -0.502 0.000 0.547) 0.743 3.911 ( -0.126 0.000 -0.349) 0.371 3.918 ( -0.829 0.000 -0.343) 0.897 4.294 ( -0.066 0.000 0.301) 0.308 4.299 ( -0.006 0.000 -0.163) 0.163 4.389 ( 0.717 -0.000 -0.020) 0.717 4.413 ( 0.939 -0.000 0.008) 0.939 4.416 ( -0.575 0.000 0.060) 0.578 4.440 ( 0.061 -0.000 -0.308) 0.314 4.447 ( -0.534 0.000 0.045) 0.535 4.448 ( -0.479 0.000 0.367) 0.603 4.845 ( -0.126 0.000 0.503) 0.519 4.845 ( 0.475 -0.000 -0.492) 0.684 5.041 ( 0.239 -0.000 -0.001) 0.239 5.045 ( -0.026 0.000 0.024) 0.035 5.054 ( -0.175 0.000 0.124) 0.214 5.054 ( -0.120 0.000 -0.088) 0.149 5.118 ( 0.424 -0.000 0.236) 0.486 5.128 ( -0.060 0.000 0.043) 0.074 7.335 ( 0.197 -0.000 -0.277) 0.340 7.340 ( -0.508 0.000 0.366) 0.626 7.386 ( 0.284 -0.000 0.500) 0.575 7.393 ( 0.373 -0.000 -0.294) 0.475 7.946 ( -0.090 0.000 1.524) 1.527 7.950 ( 1.030 -0.000 -0.852) 1.337 8.041 ( -0.987 0.000 0.409) 1.068 8.041 ( -0.356 0.000 -0.703) 0.788 8.136 ( 0.170 -0.000 1.299) 1.310 8.146 ( 0.946 -0.000 -0.959) 1.347 8.177 ( 1.378 -0.000 1.422) 1.980 8.230 ( 1.387 -0.000 1.595) 2.114 8.308 ( -1.941 0.000 0.957) 2.164 8.351 ( 0.543 -0.000 -2.963) 3.012 8.468 ( 1.088 -0.000 -0.775) 1.336 8.493 ( -0.659 0.000 -0.005) 0.659 ======================= Grid point 200 (91/95) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.952 -4.853 -2.992) 5.781 0.483 ( -2.292 -6.890 -4.167) 8.372 0.593 ( 5.554 -7.592 -0.895) 9.449 0.650 ( 0.391 -4.949 0.804) 5.029 0.738 ( 0.473 -13.485 -1.172) 13.544 0.741 ( -1.826 -15.694 0.920) 15.827 0.864 ( 3.970 -9.649 1.936) 10.611 0.913 ( 2.737 -10.106 0.413) 10.478 0.977 ( -0.598 -1.712 0.143) 1.819 0.990 ( 3.254 -3.363 -0.318) 4.690 1.057 ( 2.751 -7.425 -0.124) 7.919 1.081 ( -1.271 -3.005 0.229) 3.271 1.210 ( 0.321 0.434 1.122) 1.245 1.240 ( -3.670 0.937 0.501) 3.820 1.296 ( 0.189 -1.309 0.347) 1.367 1.326 ( -1.116 0.407 0.764) 1.413 1.391 ( -1.314 0.331 -1.668) 2.149 1.416 ( -3.389 0.530 -0.276) 3.442 1.455 ( 0.085 0.996 -1.289) 1.631 1.463 ( -0.818 0.881 -0.357) 1.254 1.508 ( 2.909 -0.064 -2.139) 3.612 1.539 ( -3.048 0.703 1.780) 3.599 1.635 ( 0.322 3.222 2.438) 4.053 1.689 ( -2.663 1.203 -1.200) 3.159 1.937 ( 1.253 1.032 1.096) 1.958 1.973 ( -0.997 1.657 -0.684) 2.051 2.240 ( 2.964 1.369 -0.067) 3.265 2.280 ( -0.744 0.717 0.958) 1.409 2.347 ( 1.660 -0.935 -1.676) 2.537 2.359 ( -0.966 -1.549 0.823) 2.003 2.378 ( 0.419 -0.887 1.750) 2.006 2.406 ( -0.240 -2.151 0.868) 2.332 2.451 ( -0.664 -3.362 -0.803) 3.520 2.464 ( -2.254 -1.028 -1.016) 2.677 2.565 ( 4.084 0.373 2.842) 4.989 2.609 ( -0.815 0.355 0.489) 1.015 2.614 ( 0.850 -0.389 -0.832) 1.252 2.702 ( -3.301 0.717 -4.394) 5.542 2.735 ( 0.285 -0.058 0.361) 0.463 2.753 ( -0.982 -0.897 0.307) 1.365 2.873 ( -0.696 -0.878 1.816) 2.134 2.898 ( -0.149 -1.008 -2.918) 3.091 3.051 ( 2.788 1.870 0.242) 3.366 3.096 ( -1.833 2.610 -0.108) 3.191 3.154 ( 2.575 2.274 3.839) 5.152 3.174 ( 1.359 1.897 2.352) 3.313 3.232 ( 0.310 2.999 -1.415) 3.331 3.280 ( -1.343 1.919 -2.732) 3.598 3.365 ( 2.144 0.863 -2.470) 3.382 3.374 ( -0.663 2.427 1.962) 3.191 3.395 ( -3.295 1.508 3.159) 4.807 3.396 ( 0.501 4.181 -1.508) 4.473 3.427 ( 0.001 3.560 1.231) 3.767 3.440 ( -0.339 2.720 -0.263) 2.754 3.445 ( -0.286 2.055 1.073) 2.336 3.488 ( -1.638 2.444 -4.945) 5.754 3.653 ( 1.315 -1.340 -1.171) 2.213 3.657 ( -0.475 -1.589 1.289) 2.101 3.772 ( 0.628 -1.860 -0.350) 1.994 3.781 ( -0.680 -1.846 0.361) 2.000 3.810 ( 0.567 -0.947 0.410) 1.177 3.821 ( -0.390 -0.905 0.127) 0.994 3.920 ( 0.244 -1.217 -0.055) 1.242 3.931 ( -0.684 -1.442 -0.307) 1.626 4.285 ( -0.092 0.876 0.436) 0.983 4.290 ( -0.044 0.883 -0.389) 0.965 4.402 ( 0.143 0.653 0.067) 0.672 4.406 ( -0.101 -0.387 -0.111) 0.415 4.423 ( 0.461 -0.732 0.288) 0.912 4.431 ( 0.272 -1.388 -0.318) 1.450 4.482 ( 0.066 -3.190 0.170) 3.195 4.491 ( -0.575 -3.163 -0.077) 3.215 4.837 ( 0.217 0.885 -0.189) 0.931 4.839 ( -0.155 0.769 0.209) 0.812 5.032 ( 0.205 1.663 0.232) 1.692 5.036 ( 0.067 1.685 -0.173) 1.695 5.056 ( 0.179 -1.137 0.241) 1.176 5.065 ( -0.488 -1.228 -0.069) 1.323 5.131 ( 0.172 -1.078 0.101) 1.096 5.136 ( -0.228 -0.899 -0.022) 0.928 7.341 ( 0.210 -0.536 -0.278) 0.639 7.343 ( -0.405 -0.418 0.351) 0.680 7.394 ( 0.287 -0.542 0.262) 0.667 7.398 ( 0.162 -0.472 -0.141) 0.518 7.958 ( 0.299 -1.117 0.957) 1.501 7.969 ( -0.035 -1.365 -0.176) 1.377 8.040 ( -0.968 -0.270 0.730) 1.242 8.040 ( 0.009 -0.188 -1.052) 1.069 8.134 ( 0.238 0.536 1.283) 1.411 8.148 ( 0.320 -0.038 -1.326) 1.365 8.179 ( 2.122 0.550 0.598) 2.273 8.227 ( -2.008 0.770 -0.133) 2.155 8.326 ( 0.311 -1.644 2.598) 3.090 8.360 ( -0.143 -1.120 -2.205) 2.477 8.472 ( 1.038 0.030 -0.160) 1.051 8.489 ( -0.584 0.137 -0.199) 0.632 ======================= Grid point 201 (92/95) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 3.391 -6.942 -0.543) 7.745 0.595 ( -4.128 -7.588 -1.778) 8.819 0.686 ( 4.111 -2.630 0.675) 4.926 0.710 ( 0.018 -2.414 -0.557) 2.477 0.882 ( 1.189 0.255 4.158) 4.332 0.909 ( -0.079 -0.918 -2.717) 2.869 0.967 ( 1.459 -2.684 -0.622) 3.118 0.992 ( -3.489 -2.961 -0.182) 4.580 1.033 ( 3.217 -1.255 -0.395) 3.476 1.052 ( -1.787 0.604 1.006) 2.137 1.241 ( 2.220 -0.540 1.242) 2.600 1.261 ( -0.903 -3.457 -0.615) 3.626 1.299 ( -0.214 0.224 1.094) 1.137 1.305 ( 0.134 -3.169 -2.002) 3.751 1.351 ( 1.630 -7.465 1.062) 7.715 1.366 ( -1.331 -6.163 0.218) 6.309 1.392 ( 1.416 -4.450 0.086) 4.670 1.420 ( -4.487 -8.386 -0.246) 9.514 1.455 ( -0.325 -6.034 0.244) 6.048 1.462 ( -0.264 -8.069 -2.512) 8.455 1.545 ( 1.037 -5.599 0.119) 5.696 1.552 ( -0.335 -6.375 0.218) 6.387 1.615 ( 0.614 -1.518 3.529) 3.891 1.650 ( -2.397 -0.658 -3.586) 4.364 1.927 ( 0.689 0.598 1.160) 1.476 1.940 ( -0.631 1.002 -1.142) 1.645 2.232 ( 3.244 0.877 -0.045) 3.360 2.260 ( -2.743 0.641 0.093) 2.818 2.367 ( 1.395 -0.420 0.348) 1.498 2.377 ( -0.365 -0.578 0.285) 0.740 2.415 ( 1.477 -1.828 -0.725) 2.459 2.427 ( -1.638 -0.804 0.913) 2.040 2.494 ( -0.016 -2.531 1.644) 3.018 2.509 ( -1.232 -3.022 -1.516) 3.598 2.579 ( 3.251 0.495 2.078) 3.890 2.600 ( -0.440 0.295 -0.401) 0.664 2.623 ( 1.585 -0.117 -0.639) 1.713 2.658 ( -4.791 0.720 -1.919) 5.211 2.746 ( 2.060 -0.153 -0.191) 2.074 2.761 ( -1.685 -0.264 0.526) 1.785 2.893 ( 0.162 -0.398 2.240) 2.281 2.907 ( -0.137 -0.417 -2.488) 2.526 3.013 ( 1.374 3.009 0.351) 3.326 3.024 ( -0.714 3.873 -0.288) 3.949 3.117 ( 1.193 3.856 1.467) 4.295 3.125 ( 0.153 4.238 0.403) 4.260 3.172 ( 0.776 3.988 1.989) 4.524 3.198 ( -1.403 5.141 -2.934) 6.084 3.288 ( 0.373 5.574 1.018) 5.678 3.296 ( -0.342 5.147 -0.670) 5.201 3.336 ( 0.732 4.426 -0.297) 4.496 3.342 ( -0.510 4.482 -0.391) 4.528 3.389 ( -1.796 0.525 3.421) 3.899 3.395 ( 0.874 0.596 -3.066) 3.243 3.430 ( 0.479 0.240 0.719) 0.896 3.441 ( -0.665 0.680 -1.570) 1.836 3.685 ( 1.208 -1.679 -1.126) 2.355 3.688 ( -0.895 -1.697 1.124) 2.223 3.809 ( 0.658 -1.752 -0.543) 1.948 3.813 ( -0.766 -1.672 0.502) 1.906 3.837 ( 0.414 -1.534 0.499) 1.665 3.843 ( -0.278 -1.495 -0.296) 1.549 3.952 ( 0.499 -1.842 0.046) 1.909 3.958 ( -0.649 -1.780 -0.143) 1.900 4.268 ( -0.087 1.026 0.450) 1.123 4.270 ( 0.015 1.071 -0.444) 1.159 4.394 ( 0.263 0.423 0.158) 0.523 4.397 ( -0.269 0.486 -0.163) 0.579 4.465 ( 0.481 -2.564 0.021) 2.609 4.468 ( -0.214 -2.481 -0.051) 2.491 4.553 ( 0.280 -4.211 0.249) 4.228 4.557 ( -0.320 -4.183 -0.229) 4.201 4.817 ( 0.197 1.221 -0.073) 1.239 4.819 ( -0.316 1.152 0.086) 1.198 4.990 ( 0.209 2.948 0.213) 2.963 4.992 ( 0.080 2.976 -0.189) 2.983 5.080 ( 0.343 -1.116 0.159) 1.178 5.085 ( -0.511 -1.052 -0.082) 1.172 5.154 ( 0.031 -1.188 -0.008) 1.188 5.155 ( -0.167 -1.112 0.007) 1.125 7.354 ( -0.143 -0.850 0.279) 0.906 7.355 ( 0.062 -0.899 -0.228) 0.930 7.408 ( 0.278 -0.709 -0.033) 0.763 7.409 ( -0.076 -0.703 0.075) 0.711 7.986 ( 0.473 -1.172 0.468) 1.348 7.991 ( -0.377 -1.100 -0.073) 1.165 8.043 ( 0.457 -0.338 -0.808) 0.988 8.045 ( -0.894 -0.515 0.642) 1.215 8.129 ( 0.235 0.423 1.489) 1.566 8.140 ( -0.343 0.338 -1.808) 1.871 8.184 ( 2.285 0.097 0.091) 2.289 8.205 ( -2.242 0.377 0.065) 2.274 8.360 ( 0.381 -1.099 1.567) 1.952 8.371 ( -0.353 -0.740 -1.316) 1.551 8.472 ( 0.545 0.437 0.643) 0.949 8.480 ( -0.249 0.530 -0.676) 0.895 ======================= Grid point 202 (93/95) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -2.851 -6.204 -3.729) 7.779 0.708 ( 2.851 -6.204 3.729) 7.779 0.747 ( 0.815 -2.511 -2.550) 3.671 0.747 ( -0.815 -2.511 2.550) 3.671 0.897 ( -1.591 -1.021 -1.933) 2.704 0.897 ( 1.591 -1.021 1.933) 2.704 0.962 ( -0.108 2.380 -0.998) 2.583 0.962 ( 0.108 2.380 0.998) 2.583 1.063 ( -0.784 -0.148 -1.394) 1.606 1.063 ( 0.784 -0.148 1.394) 1.606 1.198 ( -0.619 4.035 -0.742) 4.149 1.198 ( 0.619 4.035 0.742) 4.149 1.253 ( -0.674 3.847 -1.375) 4.141 1.253 ( 0.674 3.847 1.375) 4.141 1.334 ( -1.161 3.496 -2.949) 4.719 1.334 ( 1.161 3.496 2.949) 4.719 1.482 ( -1.542 -2.015 -2.460) 3.534 1.482 ( 1.542 -2.015 2.460) 3.534 1.576 ( -1.749 -1.023 -3.321) 3.890 1.576 ( 1.749 -1.023 3.321) 3.890 1.800 ( -0.027 -12.215 -0.954) 12.252 1.800 ( 0.027 -12.215 0.954) 12.252 1.875 ( 0.359 -20.844 -0.399) 20.851 1.875 ( -0.359 -20.844 0.399) 20.851 1.956 ( 0.269 -6.592 -1.371) 6.738 1.956 ( -0.269 -6.592 1.371) 6.738 2.237 ( -3.144 0.216 -0.816) 3.255 2.237 ( 3.144 0.216 0.816) 3.255 2.373 ( 0.009 0.449 -2.557) 2.596 2.373 ( -0.009 0.449 2.557) 2.596 2.446 ( 0.473 -1.314 -1.308) 1.914 2.446 ( -0.473 -1.314 1.308) 1.914 2.537 ( -0.844 -0.981 -1.933) 2.326 2.537 ( 0.844 -0.981 1.933) 2.326 2.590 ( -1.908 0.046 -0.595) 2.000 2.590 ( 1.908 0.046 0.595) 2.000 2.634 ( -1.917 -0.270 -0.352) 1.967 2.634 ( 1.917 -0.270 0.352) 1.967 2.744 ( 0.807 1.654 -1.035) 2.111 2.744 ( -0.807 1.654 1.035) 2.111 2.880 ( -0.280 2.925 -0.931) 3.082 2.880 ( 0.280 2.925 0.931) 3.082 2.970 ( 0.665 2.118 -0.841) 2.374 2.970 ( -0.665 2.118 0.841) 2.374 3.009 ( -0.066 7.928 -1.254) 8.027 3.009 ( 0.066 7.928 1.254) 8.027 3.088 ( 0.150 5.177 -1.323) 5.345 3.088 ( -0.150 5.177 1.323) 5.345 3.207 ( -0.083 4.105 -0.847) 4.192 3.207 ( 0.083 4.105 0.847) 4.192 3.265 ( -0.195 2.205 -3.114) 3.821 3.265 ( 0.195 2.205 3.114) 3.821 3.386 ( 0.780 0.255 -2.517) 2.647 3.386 ( -0.780 0.255 2.517) 2.647 3.438 ( 0.633 -0.500 -1.207) 1.452 3.438 ( -0.633 -0.500 1.207) 1.452 3.715 ( 1.070 -1.227 -1.322) 2.097 3.715 ( -1.070 -1.227 1.322) 2.097 3.838 ( 0.608 -1.178 -0.620) 1.463 3.838 ( -0.608 -1.178 0.620) 1.463 3.867 ( -0.025 -1.301 -0.593) 1.430 3.867 ( 0.025 -1.301 0.593) 1.430 3.987 ( -0.419 -1.569 0.006) 1.624 3.987 ( 0.419 -1.569 -0.006) 1.624 4.250 ( 0.042 0.914 -0.299) 0.962 4.250 ( -0.042 0.914 0.299) 0.962 4.388 ( -0.210 0.358 -0.050) 0.418 4.388 ( 0.210 0.358 0.050) 0.418 4.514 ( -0.339 -2.454 -0.041) 2.478 4.514 ( 0.339 -2.454 0.041) 2.478 4.635 ( -0.321 -4.232 -0.236) 4.251 4.635 ( 0.321 -4.232 0.236) 4.251 4.797 ( -0.337 0.999 -0.037) 1.055 4.797 ( 0.337 0.999 0.037) 1.055 4.930 ( -0.050 3.488 -0.260) 3.498 4.930 ( 0.050 3.488 0.260) 3.498 5.098 ( -0.054 -0.565 -0.192) 0.599 5.098 ( 0.054 -0.565 0.192) 0.599 5.172 ( 0.036 -0.757 -0.037) 0.759 5.172 ( -0.036 -0.757 0.037) 0.759 7.371 ( 0.032 -0.899 -0.340) 0.962 7.371 ( -0.032 -0.899 0.340) 0.962 7.420 ( 0.002 -0.467 -0.302) 0.556 7.420 ( -0.002 -0.467 0.302) 0.556 8.003 ( 0.064 -0.455 -0.747) 0.877 8.003 ( -0.064 -0.455 0.747) 0.877 8.052 ( 0.550 -0.462 -0.285) 0.773 8.052 ( -0.550 -0.462 0.285) 0.773 8.129 ( -0.220 0.167 -1.549) 1.573 8.129 ( 0.220 0.167 1.549) 1.573 8.193 ( -0.688 -0.062 -0.485) 0.844 8.193 ( 0.688 -0.062 0.485) 0.844 8.379 ( -0.090 -0.523 -0.956) 1.093 8.379 ( 0.090 -0.523 0.956) 1.093 8.465 ( -0.071 0.669 -0.987) 1.194 8.465 ( 0.071 0.669 0.987) 1.194 ======================= Grid point 210 (94/95) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( -3.884 0.000 5.782) 6.966 0.390 ( 2.173 -0.000 -9.913) 10.148 0.431 ( 8.700 -0.000 -4.308) 9.708 0.488 ( -8.116 0.000 2.822) 8.592 0.610 ( -0.956 0.000 2.538) 2.712 0.612 ( 0.985 -0.000 -1.526) 1.816 0.800 ( 7.196 -0.000 -2.595) 7.649 0.810 ( 1.480 -0.000 2.648) 3.033 0.960 ( 3.172 -0.000 -4.390) 5.416 0.977 ( -4.775 0.000 4.751) 6.736 1.036 ( 5.891 -0.000 -2.110) 6.257 1.060 ( -1.932 0.000 2.191) 2.921 1.235 ( -1.026 0.000 1.401) 1.737 1.244 ( -3.364 0.000 -0.324) 3.379 1.289 ( -0.428 0.000 0.373) 0.567 1.293 ( -2.093 0.000 0.557) 2.166 1.403 ( 1.933 -0.000 -3.214) 3.750 1.407 ( -1.858 0.000 1.166) 2.193 1.470 ( 0.703 -0.000 -0.585) 0.915 1.471 ( -0.754 0.000 1.358) 1.553 1.515 ( 3.187 -0.000 -3.437) 4.687 1.531 ( -3.810 0.000 2.077) 4.339 1.683 ( 0.395 -0.000 0.423) 0.579 1.689 ( -1.459 0.000 0.884) 1.706 1.960 ( 2.152 -0.000 0.798) 2.295 1.984 ( -2.192 0.000 -0.278) 2.210 2.272 ( 3.349 -0.000 0.007) 3.349 2.294 ( -1.463 0.000 1.562) 2.140 2.338 ( 1.654 -0.000 -1.859) 2.488 2.345 ( -1.798 0.000 0.905) 2.013 2.358 ( 1.194 -0.000 -1.482) 1.903 2.365 ( -2.245 0.000 1.727) 2.832 2.423 ( 1.828 -0.000 -0.794) 1.993 2.442 ( -2.578 0.000 -0.501) 2.626 2.602 ( 4.385 -0.000 3.050) 5.341 2.609 ( 0.486 -0.000 -0.777) 0.916 2.613 ( 0.119 -0.000 2.681) 2.683 2.679 ( -4.230 0.000 -5.943) 7.294 2.736 ( -0.034 0.000 0.756) 0.757 2.740 ( -0.339 0.000 -0.358) 0.493 2.866 ( -0.451 0.000 2.310) 2.353 2.879 ( -0.115 0.000 -2.856) 2.858 3.081 ( 3.003 -0.000 -0.265) 3.015 3.106 ( -3.006 0.000 0.298) 3.020 3.198 ( 0.602 -0.000 3.562) 3.613 3.205 ( 2.379 -0.000 0.752) 2.495 3.262 ( 1.876 -0.000 -2.024) 2.760 3.284 ( -2.131 0.000 -0.835) 2.288 3.375 ( 2.386 -0.000 -2.840) 3.709 3.384 ( -2.796 0.000 2.906) 4.033 3.421 ( -0.959 0.000 5.555) 5.637 3.450 ( -0.992 0.000 -3.390) 3.532 3.462 ( 1.378 -0.000 -0.553) 1.485 3.470 ( -0.224 0.000 0.562) 0.605 3.473 ( -0.106 0.000 0.044) 0.114 3.482 ( -2.091 0.000 -3.523) 4.097 3.640 ( 1.383 -0.000 -1.595) 2.111 3.642 ( -0.947 0.000 1.771) 2.009 3.754 ( 0.533 -0.000 -0.176) 0.561 3.758 ( -0.574 0.000 0.215) 0.613 3.804 ( 0.707 -0.000 0.133) 0.720 3.811 ( -0.673 0.000 0.187) 0.698 3.910 ( 0.052 -0.000 -0.099) 0.112 3.912 ( -0.320 0.000 -0.191) 0.373 4.296 ( 0.044 -0.000 0.325) 0.328 4.298 ( -0.073 0.000 -0.270) 0.280 4.397 ( 0.930 -0.000 0.125) 0.938 4.407 ( -0.941 0.000 -0.247) 0.973 4.426 ( 1.097 -0.000 0.313) 1.140 4.436 ( -0.784 0.000 -0.218) 0.813 4.444 ( 0.134 -0.000 -0.237) 0.272 4.445 ( -0.433 0.000 0.321) 0.539 4.846 ( -0.216 0.000 0.506) 0.550 4.846 ( 0.353 -0.000 -0.502) 0.614 5.043 ( 0.200 -0.000 0.095) 0.222 5.045 ( -0.036 0.000 -0.062) 0.071 5.052 ( -0.027 0.000 -0.162) 0.164 5.053 ( -0.206 0.000 0.137) 0.247 5.123 ( 0.361 -0.000 0.245) 0.437 5.126 ( -0.213 0.000 -0.107) 0.238 7.336 ( 0.320 -0.000 -0.283) 0.427 7.338 ( -0.429 0.000 0.317) 0.533 7.391 ( 0.093 -0.000 0.500) 0.508 7.393 ( 0.150 -0.000 -0.409) 0.436 7.951 ( -0.397 0.000 1.397) 1.452 7.953 ( 0.761 -0.000 -1.120) 1.354 8.036 ( 0.123 -0.000 -0.727) 0.737 8.036 ( -0.641 0.000 0.588) 0.869 8.143 ( -0.073 0.000 1.213) 1.215 8.147 ( 0.462 -0.000 -1.127) 1.218 8.200 ( 1.965 -0.000 1.585) 2.524 8.226 ( -1.918 0.000 -1.014) 2.169 8.316 ( 0.331 -0.000 3.374) 3.390 8.336 ( 0.043 -0.000 -3.464) 3.464 8.476 ( 1.233 -0.000 -0.317) 1.273 8.485 ( -1.005 0.000 0.085) 1.008 ======================= Grid point 211 (95/95) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 2.942 -6.068 -6.082) 9.081 0.448 ( -2.942 -6.068 6.082) 9.081 0.635 ( 0.287 -7.222 -2.739) 7.730 0.635 ( -0.287 -7.222 2.739) 7.730 0.736 ( 1.790 -14.977 -2.782) 15.338 0.736 ( -1.790 -14.977 2.782) 15.338 0.907 ( -1.802 -6.459 -2.617) 7.198 0.907 ( 1.802 -6.459 2.617) 7.198 0.992 ( 0.550 -4.790 -2.647) 5.501 0.992 ( -0.550 -4.790 2.647) 5.501 1.074 ( 2.563 -4.615 -2.618) 5.893 1.074 ( -2.563 -4.615 2.618) 5.893 1.217 ( -0.228 -0.071 -1.010) 1.038 1.217 ( 0.228 -0.071 1.010) 1.038 1.310 ( -2.088 -1.038 -0.518) 2.388 1.310 ( 2.088 -1.038 0.518) 2.388 1.389 ( 1.142 1.234 -2.329) 2.872 1.389 ( -1.142 1.234 2.329) 2.872 1.456 ( 0.759 1.449 -0.956) 1.895 1.456 ( -0.759 1.449 0.956) 1.895 1.523 ( 2.957 -0.087 -2.245) 3.714 1.523 ( -2.957 -0.087 2.245) 3.714 1.659 ( -1.901 2.410 -2.270) 3.818 1.659 ( 1.901 2.410 2.270) 3.818 1.956 ( -1.570 1.378 -1.110) 2.365 1.956 ( 1.570 1.378 1.110) 2.365 2.266 ( -2.180 1.346 -0.379) 2.589 2.266 ( 2.180 1.346 0.379) 2.589 2.353 ( 1.447 -1.283 -1.363) 2.366 2.353 ( -1.447 -1.283 1.363) 2.366 2.396 ( -1.264 -2.039 -1.365) 2.760 2.396 ( 1.264 -2.039 1.365) 2.760 2.447 ( 0.791 -2.105 -0.990) 2.457 2.447 ( -0.791 -2.105 0.990) 2.457 2.604 ( -0.574 0.483 -0.571) 0.943 2.604 ( 0.574 0.483 0.571) 0.943 2.640 ( -4.189 0.245 -3.782) 5.649 2.640 ( 4.189 0.245 3.782) 5.649 2.745 ( -0.329 -0.601 -0.534) 0.869 2.745 ( 0.329 -0.601 0.534) 0.869 2.882 ( 0.110 -1.044 -2.645) 2.846 2.882 ( -0.110 -1.044 2.645) 2.846 3.075 ( -0.651 2.071 -1.499) 2.638 3.075 ( 0.651 2.071 1.499) 2.638 3.183 ( -0.599 2.499 -1.759) 3.115 3.183 ( 0.599 2.499 1.759) 3.115 3.247 ( -2.122 2.462 -2.810) 4.296 3.247 ( 2.122 2.462 2.810) 4.296 3.372 ( 2.106 1.104 -2.299) 3.308 3.372 ( -2.106 1.104 2.299) 3.308 3.391 ( 1.162 3.400 -2.758) 4.530 3.391 ( -1.162 3.400 2.758) 4.530 3.434 ( -0.043 3.265 -1.226) 3.488 3.434 ( 0.043 3.265 1.226) 3.488 3.457 ( -0.500 1.625 -3.052) 3.493 3.457 ( 0.500 1.625 3.052) 3.493 3.657 ( 1.193 -1.428 -1.726) 2.537 3.657 ( -1.193 -1.428 1.726) 2.537 3.777 ( 0.402 -1.826 -0.309) 1.895 3.777 ( -0.402 -1.826 0.309) 1.895 3.817 ( -0.309 -0.937 -0.388) 1.060 3.817 ( 0.309 -0.937 0.388) 1.060 3.924 ( -0.497 -1.372 -0.207) 1.474 3.924 ( 0.497 -1.372 0.207) 1.474 4.287 ( -0.030 0.893 -0.454) 1.003 4.287 ( 0.030 0.893 0.454) 1.003 4.404 ( -0.133 0.326 -0.170) 0.391 4.404 ( 0.133 0.326 0.170) 0.391 4.429 ( -0.278 -1.247 -0.388) 1.335 4.429 ( 0.278 -1.247 0.388) 1.335 4.485 ( -0.443 -3.209 -0.198) 3.246 4.485 ( 0.443 -3.209 0.198) 3.246 4.838 ( 0.276 0.865 -0.418) 1.000 4.838 ( -0.276 0.865 0.418) 1.000 5.034 ( -0.084 1.598 -0.255) 1.620 5.034 ( 0.084 1.598 0.255) 1.620 5.060 ( -0.373 -1.145 -0.243) 1.229 5.060 ( 0.373 -1.145 0.243) 1.229 5.134 ( -0.215 -0.926 -0.107) 0.956 5.134 ( 0.215 -0.926 0.107) 0.956 7.341 ( 0.312 -0.481 -0.326) 0.660 7.341 ( -0.312 -0.481 0.326) 0.660 7.397 ( 0.040 -0.497 -0.341) 0.604 7.397 ( -0.040 -0.497 0.341) 0.604 7.965 ( -0.086 -1.209 -0.790) 1.446 7.965 ( 0.086 -1.209 0.790) 1.446 8.037 ( 0.490 -0.227 -0.920) 1.067 8.037 ( -0.490 -0.227 0.920) 1.067 8.142 ( 0.017 0.355 -1.409) 1.453 8.142 ( -0.017 0.355 1.409) 1.453 8.203 ( -1.979 0.724 -1.061) 2.360 8.203 ( 1.979 0.724 1.061) 2.360 8.344 ( -0.301 -1.378 -2.869) 3.197 8.344 ( 0.301 -1.378 2.869) 3.197 8.481 ( -0.042 0.054 -0.788) 0.791 8.481 ( 0.042 0.054 0.788) 0.791 =================== 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 3/31104 10.0 15.892 25.138 14.990 -0.000 1.528 -0.000 3/31104 20.0 4.272 10.799 4.158 -0.000 0.432 -0.000 3/31104 30.0 2.134 6.040 2.050 -0.000 0.220 -0.000 3/31104 40.0 1.367 4.100 1.297 -0.000 0.140 -0.000 3/31104 50.0 0.998 3.098 0.941 -0.000 0.102 -0.000 3/31104 60.0 0.787 2.494 0.739 -0.000 0.080 -0.000 3/31104 70.0 0.651 2.091 0.610 -0.000 0.065 -0.000 3/31104 80.0 0.556 1.803 0.520 -0.000 0.056 -0.000 3/31104 90.0 0.486 1.587 0.454 -0.000 0.048 -0.000 3/31104 100.0 0.432 1.418 0.404 -0.000 0.043 -0.000 3/31104 110.0 0.389 1.282 0.364 -0.000 0.038 -0.000 3/31104 120.0 0.355 1.171 0.331 -0.000 0.035 -0.000 3/31104 130.0 0.326 1.077 0.304 -0.000 0.032 -0.000 3/31104 140.0 0.301 0.998 0.281 -0.000 0.029 -0.000 3/31104 150.0 0.280 0.930 0.262 -0.000 0.027 -0.000 3/31104 160.0 0.262 0.871 0.245 -0.000 0.026 -0.000 3/31104 170.0 0.246 0.818 0.230 -0.000 0.024 -0.000 3/31104 180.0 0.232 0.772 0.217 -0.000 0.023 -0.000 3/31104 190.0 0.220 0.731 0.205 -0.000 0.021 -0.000 3/31104 200.0 0.209 0.694 0.195 -0.000 0.020 -0.000 3/31104 210.0 0.199 0.661 0.186 -0.000 0.019 -0.000 3/31104 220.0 0.190 0.630 0.177 -0.000 0.018 -0.000 3/31104 230.0 0.181 0.603 0.169 -0.000 0.017 -0.000 3/31104 240.0 0.174 0.578 0.162 -0.000 0.017 -0.000 3/31104 250.0 0.167 0.554 0.156 -0.000 0.016 -0.000 3/31104 260.0 0.160 0.533 0.150 -0.000 0.015 -0.000 3/31104 270.0 0.154 0.513 0.144 -0.000 0.015 -0.000 3/31104 280.0 0.149 0.495 0.139 -0.000 0.014 -0.000 3/31104 290.0 0.144 0.478 0.134 -0.000 0.014 -0.000 3/31104 300.0 0.139 0.462 0.130 -0.000 0.013 -0.000 3/31104 310.0 0.134 0.447 0.126 -0.000 0.013 -0.000 3/31104 320.0 0.130 0.433 0.122 -0.000 0.012 -0.000 3/31104 330.0 0.126 0.420 0.118 -0.000 0.012 -0.000 3/31104 340.0 0.122 0.407 0.115 -0.000 0.012 -0.000 3/31104 350.0 0.119 0.396 0.111 -0.000 0.011 -0.000 3/31104 360.0 0.116 0.385 0.108 -0.000 0.011 -0.000 3/31104 370.0 0.113 0.374 0.105 -0.000 0.011 -0.000 3/31104 380.0 0.110 0.364 0.103 -0.000 0.010 -0.000 3/31104 390.0 0.107 0.355 0.100 -0.000 0.010 -0.000 3/31104 400.0 0.104 0.346 0.097 -0.000 0.010 -0.000 3/31104 410.0 0.102 0.338 0.095 -0.000 0.010 -0.000 3/31104 420.0 0.099 0.330 0.093 -0.000 0.009 -0.000 3/31104 430.0 0.097 0.322 0.091 -0.000 0.009 -0.000 3/31104 440.0 0.095 0.315 0.089 -0.000 0.009 -0.000 3/31104 450.0 0.093 0.308 0.087 -0.000 0.009 -0.000 3/31104 460.0 0.091 0.301 0.085 -0.000 0.009 -0.000 3/31104 470.0 0.089 0.295 0.083 -0.000 0.008 -0.000 3/31104 480.0 0.087 0.289 0.081 -0.000 0.008 -0.000 3/31104 490.0 0.085 0.283 0.080 -0.000 0.008 -0.000 3/31104 500.0 0.083 0.277 0.078 -0.000 0.008 -0.000 3/31104 510.0 0.082 0.272 0.077 -0.000 0.008 -0.000 3/31104 520.0 0.080 0.266 0.075 -0.000 0.008 -0.000 3/31104 530.0 0.079 0.261 0.074 -0.000 0.007 -0.000 3/31104 540.0 0.077 0.257 0.072 -0.000 0.007 -0.000 3/31104 550.0 0.076 0.252 0.071 -0.000 0.007 -0.000 3/31104 560.0 0.075 0.247 0.070 -0.000 0.007 -0.000 3/31104 570.0 0.073 0.243 0.069 -0.000 0.007 -0.000 3/31104 580.0 0.072 0.239 0.067 -0.000 0.007 -0.000 3/31104 590.0 0.071 0.235 0.066 -0.000 0.007 -0.000 3/31104 600.0 0.070 0.231 0.065 -0.000 0.007 -0.000 3/31104 610.0 0.069 0.227 0.064 -0.000 0.006 -0.000 3/31104 620.0 0.067 0.223 0.063 -0.000 0.006 -0.000 3/31104 630.0 0.066 0.220 0.062 -0.000 0.006 -0.000 3/31104 640.0 0.065 0.217 0.061 -0.000 0.006 -0.000 3/31104 650.0 0.064 0.213 0.060 -0.000 0.006 -0.000 3/31104 660.0 0.063 0.210 0.059 -0.000 0.006 -0.000 3/31104 670.0 0.062 0.207 0.058 -0.000 0.006 -0.000 3/31104 680.0 0.062 0.204 0.058 -0.000 0.006 -0.000 3/31104 690.0 0.061 0.201 0.057 -0.000 0.006 -0.000 3/31104 700.0 0.060 0.198 0.056 -0.000 0.006 -0.000 3/31104 710.0 0.059 0.195 0.055 -0.000 0.006 -0.000 3/31104 720.0 0.058 0.193 0.054 -0.000 0.005 -0.000 3/31104 730.0 0.057 0.190 0.054 -0.000 0.005 -0.000 3/31104 740.0 0.057 0.187 0.053 -0.000 0.005 -0.000 3/31104 750.0 0.056 0.185 0.052 -0.000 0.005 -0.000 3/31104 760.0 0.055 0.182 0.052 -0.000 0.005 -0.000 3/31104 770.0 0.054 0.180 0.051 -0.000 0.005 -0.000 3/31104 780.0 0.054 0.178 0.050 -0.000 0.005 -0.000 3/31104 790.0 0.053 0.175 0.050 -0.000 0.005 -0.000 3/31104 800.0 0.052 0.173 0.049 -0.000 0.005 -0.000 3/31104 810.0 0.052 0.171 0.048 -0.000 0.005 -0.000 3/31104 820.0 0.051 0.169 0.048 -0.000 0.005 -0.000 3/31104 830.0 0.050 0.167 0.047 -0.000 0.005 -0.000 3/31104 840.0 0.050 0.165 0.047 -0.000 0.005 -0.000 3/31104 850.0 0.049 0.163 0.046 -0.000 0.005 -0.000 3/31104 860.0 0.049 0.161 0.046 -0.000 0.005 -0.000 3/31104 870.0 0.048 0.159 0.045 -0.000 0.004 -0.000 3/31104 880.0 0.048 0.158 0.045 -0.000 0.004 -0.000 3/31104 890.0 0.047 0.156 0.044 -0.000 0.004 -0.000 3/31104 900.0 0.047 0.154 0.044 -0.000 0.004 -0.000 3/31104 910.0 0.046 0.152 0.043 -0.000 0.004 -0.000 3/31104 920.0 0.046 0.151 0.043 -0.000 0.004 -0.000 3/31104 930.0 0.045 0.149 0.042 -0.000 0.004 -0.000 3/31104 940.0 0.045 0.148 0.042 -0.000 0.004 -0.000 3/31104 950.0 0.044 0.146 0.041 -0.000 0.004 -0.000 3/31104 960.0 0.044 0.144 0.041 -0.000 0.004 -0.000 3/31104 970.0 0.043 0.143 0.041 -0.000 0.004 -0.000 3/31104 980.0 0.043 0.142 0.040 -0.000 0.004 -0.000 3/31104 990.0 0.042 0.140 0.040 -0.000 0.004 -0.000 3/31104 1000.0 0.042 0.139 0.039 -0.000 0.004 -0.000 3/31104 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:11:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|