----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:22:34]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.423603460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.136336810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.881850430000000 Atomic positions (fractional): *1 H 0.95732867408881 0.01887601218971 0.26998511806942 1.008 2 H 0.54267132591119 0.98112398781029 0.76998511806942 1.008 3 H 0.45732867408881 0.48112398781029 0.23001488193058 1.008 4 H 0.04267132591119 0.51887601218971 0.73001488193058 1.008 5 H 0.04267132591119 0.98112398781029 0.73001488193058 1.008 6 H 0.45732867408881 0.01887601218971 0.23001488193058 1.008 7 H 0.54267132591119 0.51887601218971 0.76998511806942 1.008 8 H 0.95732867408881 0.48112398781029 0.26998511806942 1.008 *9 H 0.16429667941051 0.08087041106611 0.47849798963113 1.008 10 H 0.33570332058949 0.91912958893389 0.97849798963113 1.008 11 H 0.66429667941051 0.41912958893389 0.02150201036887 1.008 12 H 0.83570332058949 0.58087041106611 0.52150201036887 1.008 13 H 0.83570332058949 0.91912958893389 0.52150201036887 1.008 14 H 0.66429667941051 0.08087041106611 0.02150201036887 1.008 15 H 0.33570332058949 0.58087041106611 0.97849798963113 1.008 16 H 0.16429667941051 0.41912958893389 0.47849798963113 1.008 *17 H 0.30635603916340 0.01986538586323 0.67087454837322 1.008 18 H 0.19364396083660 0.98013461413677 0.17087454837322 1.008 19 H 0.80635603916340 0.48013461413677 0.82912545162678 1.008 20 H 0.69364396083660 0.51986538586323 0.32912545162678 1.008 21 H 0.69364396083660 0.98013461413677 0.32912545162678 1.008 22 H 0.80635603916340 0.01986538586323 0.82912545162678 1.008 23 H 0.19364396083660 0.51986538586323 0.17087454837322 1.008 24 H 0.30635603916340 0.48013461413677 0.67087454837322 1.008 *25 H 0.95433176780678 0.32184359384650 0.39337555656165 1.008 26 H 0.54566823219322 0.67815640615350 0.89337555656165 1.008 27 H 0.45433176780679 0.17815640615351 0.10662444343835 1.008 28 H 0.04566823219322 0.82184359384650 0.60662444343835 1.008 29 H 0.04566823219322 0.67815640615350 0.60662444343835 1.008 30 H 0.45433176780679 0.32184359384650 0.10662444343835 1.008 31 H 0.54566823219322 0.82184359384650 0.89337555656165 1.008 32 H 0.95433176780678 0.17815640615351 0.39337555656165 1.008 *33 O 0.05738217461090 0.07688241174892 0.25098892209106 15.999 34 O 0.44261782538910 0.92311758825108 0.75098892209106 15.999 35 O 0.55738217461090 0.42311758825108 0.24901107790894 15.999 36 O 0.94261782538910 0.57688241174892 0.74901107790894 15.999 37 O 0.94261782538910 0.92311758825108 0.74901107790894 15.999 38 O 0.55738217461090 0.07688241174892 0.24901107790894 15.999 39 O 0.44261782538910 0.57688241174892 0.75098892209106 15.999 40 O 0.05738217461090 0.42311758825108 0.25098892209106 15.999 *41 O 0.22231041935340 0.09207054839969 0.63745003808600 15.999 42 O 0.27768958064660 0.90792945160031 0.13745003808600 15.999 43 O 0.72231041935340 0.40792945160031 0.86254996191400 15.999 44 O 0.77768958064660 0.59207054839969 0.36254996191400 15.999 45 O 0.77768958064660 0.90792945160031 0.36254996191400 15.999 46 O 0.72231041935340 0.09207054839969 0.86254996191400 15.999 47 O 0.27768958064660 0.59207054839969 0.13745003808600 15.999 48 O 0.22231041935340 0.40792945160031 0.63745003808600 15.999 *49 O 0.10490425931103 0.75000000000000 0.52759424687700 15.999 50 O 0.39509574068897 0.25000000000000 0.02759424687700 15.999 51 O 0.60490425931103 0.75000000000000 0.97240575312300 15.999 52 O 0.89509574068897 0.25000000000000 0.47240575312300 15.999 *53 Ba 0.96803456452169 0.75000000000000 0.08027741185886 137.327 54 Ba 0.53196543547831 0.25000000000000 0.58027741185886 137.327 55 Ba 0.46803456452169 0.75000000000000 0.41972258814114 137.327 56 Ba 0.03196543547831 0.25000000000000 0.91972258814114 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.423603460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.136336810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.881850430000000 Atomic positions (fractional): *1 H 0.95732867408881 0.01887601218971 0.26998511806942 1.008 > 1 2 H 0.54267132591119 0.98112398781029 0.76998511806942 1.008 > 2 3 H 0.45732867408881 0.48112398781029 0.23001488193058 1.008 > 3 4 H 0.04267132591119 0.51887601218971 0.73001488193058 1.008 > 4 5 H 0.04267132591119 0.98112398781029 0.73001488193058 1.008 > 5 6 H 0.45732867408881 0.01887601218971 0.23001488193058 1.008 > 6 7 H 0.54267132591119 0.51887601218971 0.76998511806942 1.008 > 7 8 H 0.95732867408881 0.48112398781029 0.26998511806942 1.008 > 8 *9 H 0.16429667941051 0.08087041106611 0.47849798963113 1.008 > 9 10 H 0.33570332058949 0.91912958893389 0.97849798963113 1.008 > 10 11 H 0.66429667941051 0.41912958893389 0.02150201036887 1.008 > 11 12 H 0.83570332058949 0.58087041106611 0.52150201036887 1.008 > 12 13 H 0.83570332058949 0.91912958893389 0.52150201036887 1.008 > 13 14 H 0.66429667941051 0.08087041106611 0.02150201036887 1.008 > 14 15 H 0.33570332058949 0.58087041106611 0.97849798963113 1.008 > 15 16 H 0.16429667941051 0.41912958893389 0.47849798963113 1.008 > 16 *17 H 0.30635603916340 0.01986538586323 0.67087454837322 1.008 > 17 18 H 0.19364396083660 0.98013461413677 0.17087454837322 1.008 > 18 19 H 0.80635603916340 0.48013461413677 0.82912545162678 1.008 > 19 20 H 0.69364396083660 0.51986538586323 0.32912545162678 1.008 > 20 21 H 0.69364396083660 0.98013461413677 0.32912545162678 1.008 > 21 22 H 0.80635603916340 0.01986538586323 0.82912545162678 1.008 > 22 23 H 0.19364396083660 0.51986538586323 0.17087454837322 1.008 > 23 24 H 0.30635603916340 0.48013461413677 0.67087454837322 1.008 > 24 *25 H 0.95433176780678 0.32184359384650 0.39337555656165 1.008 > 25 26 H 0.54566823219322 0.67815640615350 0.89337555656165 1.008 > 26 27 H 0.45433176780679 0.17815640615351 0.10662444343835 1.008 > 27 28 H 0.04566823219322 0.82184359384650 0.60662444343835 1.008 > 28 29 H 0.04566823219322 0.67815640615350 0.60662444343835 1.008 > 29 30 H 0.45433176780679 0.32184359384650 0.10662444343835 1.008 > 30 31 H 0.54566823219322 0.82184359384650 0.89337555656165 1.008 > 31 32 H 0.95433176780678 0.17815640615351 0.39337555656165 1.008 > 32 *33 O 0.05738217461090 0.07688241174892 0.25098892209106 15.999 > 33 34 O 0.44261782538910 0.92311758825108 0.75098892209106 15.999 > 34 35 O 0.55738217461090 0.42311758825108 0.24901107790894 15.999 > 35 36 O 0.94261782538910 0.57688241174892 0.74901107790894 15.999 > 36 37 O 0.94261782538910 0.92311758825108 0.74901107790894 15.999 > 37 38 O 0.55738217461090 0.07688241174892 0.24901107790894 15.999 > 38 39 O 0.44261782538910 0.57688241174892 0.75098892209106 15.999 > 39 40 O 0.05738217461090 0.42311758825108 0.25098892209106 15.999 > 40 *41 O 0.22231041935340 0.09207054839969 0.63745003808600 15.999 > 41 42 O 0.27768958064660 0.90792945160031 0.13745003808600 15.999 > 42 43 O 0.72231041935340 0.40792945160031 0.86254996191400 15.999 > 43 44 O 0.77768958064660 0.59207054839969 0.36254996191400 15.999 > 44 45 O 0.77768958064660 0.90792945160031 0.36254996191400 15.999 > 45 46 O 0.72231041935340 0.09207054839969 0.86254996191400 15.999 > 46 47 O 0.27768958064660 0.59207054839969 0.13745003808600 15.999 > 47 48 O 0.22231041935340 0.40792945160031 0.63745003808600 15.999 > 48 *49 O 0.10490425931103 0.75000000000000 0.52759424687700 15.999 > 49 50 O 0.39509574068897 0.25000000000000 0.02759424687700 15.999 > 50 51 O 0.60490425931103 0.75000000000000 0.97240575312300 15.999 > 51 52 O 0.89509574068897 0.25000000000000 0.47240575312300 15.999 > 52 *53 Ba 0.96803456452169 0.75000000000000 0.08027741185886 137.327 > 53 54 Ba 0.53196543547831 0.25000000000000 0.58027741185886 137.327 > 54 55 Ba 0.46803456452169 0.75000000000000 0.41972258814114 137.327 > 55 56 Ba 0.03196543547831 0.25000000000000 0.91972258814114 137.327 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.423603460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.136336810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.763700860000000 Atomic positions (fractional): *1 H 0.95732867408881 0.01887601218971 0.13499255903471 1.008 > 1 2 H 0.95732867408881 0.01887601218971 0.63499255903471 1.008 > 1 3 H 0.54267132591119 0.98112398781029 0.38499255903471 1.008 > 2 4 H 0.54267132591119 0.98112398781029 0.88499255903471 1.008 > 2 5 H 0.45732867408881 0.48112398781029 0.11500744096529 1.008 > 3 6 H 0.45732867408881 0.48112398781029 0.61500744096529 1.008 > 3 7 H 0.04267132591119 0.51887601218971 0.36500744096529 1.008 > 4 8 H 0.04267132591119 0.51887601218971 0.86500744096529 1.008 > 4 9 H 0.04267132591119 0.98112398781029 0.36500744096529 1.008 > 5 10 H 0.04267132591119 0.98112398781029 0.86500744096529 1.008 > 5 11 H 0.45732867408881 0.01887601218971 0.11500744096529 1.008 > 6 12 H 0.45732867408881 0.01887601218971 0.61500744096529 1.008 > 6 13 H 0.54267132591119 0.51887601218971 0.38499255903471 1.008 > 7 14 H 0.54267132591119 0.51887601218971 0.88499255903471 1.008 > 7 15 H 0.95732867408881 0.48112398781029 0.13499255903471 1.008 > 8 16 H 0.95732867408881 0.48112398781029 0.63499255903471 1.008 > 8 *17 H 0.16429667941051 0.08087041106611 0.23924899481557 1.008 > 9 18 H 0.16429667941051 0.08087041106611 0.73924899481557 1.008 > 9 19 H 0.33570332058949 0.91912958893389 0.48924899481557 1.008 > 10 20 H 0.33570332058949 0.91912958893389 0.98924899481557 1.008 > 10 21 H 0.66429667941051 0.41912958893389 0.01075100518443 1.008 > 11 22 H 0.66429667941051 0.41912958893389 0.51075100518443 1.008 > 11 23 H 0.83570332058949 0.58087041106611 0.26075100518443 1.008 > 12 24 H 0.83570332058949 0.58087041106611 0.76075100518443 1.008 > 12 25 H 0.83570332058949 0.91912958893389 0.26075100518443 1.008 > 13 26 H 0.83570332058949 0.91912958893389 0.76075100518443 1.008 > 13 27 H 0.66429667941051 0.08087041106611 0.01075100518443 1.008 > 14 28 H 0.66429667941051 0.08087041106611 0.51075100518443 1.008 > 14 29 H 0.33570332058949 0.58087041106611 0.48924899481557 1.008 > 15 30 H 0.33570332058949 0.58087041106611 0.98924899481557 1.008 > 15 31 H 0.16429667941051 0.41912958893389 0.23924899481557 1.008 > 16 32 H 0.16429667941051 0.41912958893389 0.73924899481557 1.008 > 16 *33 H 0.30635603916340 0.01986538586323 0.33543727418661 1.008 > 17 34 H 0.30635603916340 0.01986538586323 0.83543727418661 1.008 > 17 35 H 0.19364396083660 0.98013461413677 0.08543727418661 1.008 > 18 36 H 0.19364396083660 0.98013461413677 0.58543727418661 1.008 > 18 37 H 0.80635603916340 0.48013461413677 0.41456272581339 1.008 > 19 38 H 0.80635603916340 0.48013461413677 0.91456272581339 1.008 > 19 39 H 0.69364396083660 0.51986538586323 0.16456272581339 1.008 > 20 40 H 0.69364396083660 0.51986538586323 0.66456272581339 1.008 > 20 41 H 0.69364396083660 0.98013461413677 0.16456272581339 1.008 > 21 42 H 0.69364396083660 0.98013461413677 0.66456272581339 1.008 > 21 43 H 0.80635603916340 0.01986538586323 0.41456272581339 1.008 > 22 44 H 0.80635603916340 0.01986538586323 0.91456272581339 1.008 > 22 45 H 0.19364396083660 0.51986538586323 0.08543727418661 1.008 > 23 46 H 0.19364396083660 0.51986538586323 0.58543727418661 1.008 > 23 47 H 0.30635603916340 0.48013461413677 0.33543727418661 1.008 > 24 48 H 0.30635603916340 0.48013461413677 0.83543727418661 1.008 > 24 *49 H 0.95433176780678 0.32184359384650 0.19668777828082 1.008 > 25 50 H 0.95433176780678 0.32184359384650 0.69668777828082 1.008 > 25 51 H 0.54566823219322 0.67815640615350 0.44668777828082 1.008 > 26 52 H 0.54566823219322 0.67815640615350 0.94668777828082 1.008 > 26 53 H 0.45433176780679 0.17815640615351 0.05331222171918 1.008 > 27 54 H 0.45433176780679 0.17815640615351 0.55331222171918 1.008 > 27 55 H 0.04566823219322 0.82184359384650 0.30331222171918 1.008 > 28 56 H 0.04566823219322 0.82184359384650 0.80331222171918 1.008 > 28 57 H 0.04566823219322 0.67815640615350 0.30331222171918 1.008 > 29 58 H 0.04566823219322 0.67815640615350 0.80331222171918 1.008 > 29 59 H 0.45433176780679 0.32184359384650 0.05331222171918 1.008 > 30 60 H 0.45433176780679 0.32184359384650 0.55331222171918 1.008 > 30 61 H 0.54566823219322 0.82184359384650 0.44668777828082 1.008 > 31 62 H 0.54566823219322 0.82184359384650 0.94668777828082 1.008 > 31 63 H 0.95433176780678 0.17815640615351 0.19668777828082 1.008 > 32 64 H 0.95433176780678 0.17815640615351 0.69668777828082 1.008 > 32 *65 O 0.05738217461090 0.07688241174892 0.12549446104553 15.999 > 33 66 O 0.05738217461090 0.07688241174892 0.62549446104553 15.999 > 33 67 O 0.44261782538910 0.92311758825108 0.37549446104553 15.999 > 34 68 O 0.44261782538910 0.92311758825108 0.87549446104553 15.999 > 34 69 O 0.55738217461090 0.42311758825108 0.12450553895447 15.999 > 35 70 O 0.55738217461090 0.42311758825108 0.62450553895447 15.999 > 35 71 O 0.94261782538910 0.57688241174892 0.37450553895447 15.999 > 36 72 O 0.94261782538910 0.57688241174892 0.87450553895447 15.999 > 36 73 O 0.94261782538910 0.92311758825108 0.37450553895447 15.999 > 37 74 O 0.94261782538910 0.92311758825108 0.87450553895447 15.999 > 37 75 O 0.55738217461090 0.07688241174892 0.12450553895447 15.999 > 38 76 O 0.55738217461090 0.07688241174892 0.62450553895447 15.999 > 38 77 O 0.44261782538910 0.57688241174892 0.37549446104553 15.999 > 39 78 O 0.44261782538910 0.57688241174892 0.87549446104553 15.999 > 39 79 O 0.05738217461090 0.42311758825108 0.12549446104553 15.999 > 40 80 O 0.05738217461090 0.42311758825108 0.62549446104553 15.999 > 40 *81 O 0.22231041935340 0.09207054839969 0.31872501904300 15.999 > 41 82 O 0.22231041935340 0.09207054839969 0.81872501904300 15.999 > 41 83 O 0.27768958064660 0.90792945160031 0.06872501904300 15.999 > 42 84 O 0.27768958064660 0.90792945160031 0.56872501904300 15.999 > 42 85 O 0.72231041935340 0.40792945160031 0.43127498095700 15.999 > 43 86 O 0.72231041935340 0.40792945160031 0.93127498095700 15.999 > 43 87 O 0.77768958064660 0.59207054839969 0.18127498095700 15.999 > 44 88 O 0.77768958064660 0.59207054839969 0.68127498095700 15.999 > 44 89 O 0.77768958064660 0.90792945160031 0.18127498095700 15.999 > 45 90 O 0.77768958064660 0.90792945160031 0.68127498095700 15.999 > 45 91 O 0.72231041935340 0.09207054839969 0.43127498095700 15.999 > 46 92 O 0.72231041935340 0.09207054839969 0.93127498095700 15.999 > 46 93 O 0.27768958064660 0.59207054839969 0.06872501904300 15.999 > 47 94 O 0.27768958064660 0.59207054839969 0.56872501904300 15.999 > 47 95 O 0.22231041935340 0.40792945160031 0.31872501904300 15.999 > 48 96 O 0.22231041935340 0.40792945160031 0.81872501904300 15.999 > 48 *97 O 0.10490425931103 0.75000000000000 0.26379712343850 15.999 > 49 98 O 0.10490425931103 0.75000000000000 0.76379712343850 15.999 > 49 99 O 0.39509574068897 0.25000000000000 0.01379712343850 15.999 > 50 100 O 0.39509574068897 0.25000000000000 0.51379712343850 15.999 > 50 101 O 0.60490425931103 0.75000000000000 0.48620287656150 15.999 > 51 102 O 0.60490425931103 0.75000000000000 0.98620287656150 15.999 > 51 103 O 0.89509574068897 0.25000000000000 0.23620287656150 15.999 > 52 104 O 0.89509574068897 0.25000000000000 0.73620287656150 15.999 > 52 *105 Ba 0.96803456452169 0.75000000000000 0.04013870592943 137.327 > 53 106 Ba 0.96803456452169 0.75000000000000 0.54013870592943 137.327 > 53 107 Ba 0.53196543547831 0.25000000000000 0.29013870592943 137.327 > 54 108 Ba 0.53196543547831 0.25000000000000 0.79013870592943 137.327 > 54 109 Ba 0.46803456452169 0.75000000000000 0.20986129407057 137.327 > 55 110 Ba 0.46803456452169 0.75000000000000 0.70986129407057 137.327 > 55 111 Ba 0.03196543547831 0.25000000000000 0.45986129407057 137.327 > 56 112 Ba 0.03196543547831 0.25000000000000 0.95986129407057 137.327 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7123290 0.0000000 0.0000000 0.0000000 2.7548497 0.0000000 0.0000000 0.0000000 2.7500791 -------------------------- Born effective charges -------------------------- 1 H 0.6090517 0.3058045 -0.1007523 0.2814024 0.5348181 -0.0555034 -0.1215012 -0.0768526 0.3070395 2 H 0.6090517 0.3058045 0.1007523 0.2814024 0.5348181 0.0555034 0.1215012 0.0768526 0.3070395 3 H 0.6090517 -0.3058045 0.1007523 -0.2814024 0.5348181 -0.0555034 0.1215012 -0.0768526 0.3070395 4 H 0.6090517 -0.3058045 -0.1007523 -0.2814024 0.5348181 0.0555034 -0.1215012 0.0768526 0.3070395 5 H 0.6090517 0.3058045 -0.1007523 0.2814024 0.5348181 -0.0555034 -0.1215012 -0.0768526 0.3070395 6 H 0.6090517 0.3058045 0.1007523 0.2814024 0.5348181 0.0555034 0.1215012 0.0768526 0.3070395 7 H 0.6090517 -0.3058045 0.1007523 -0.2814024 0.5348181 -0.0555034 0.1215012 -0.0768526 0.3070395 8 H 0.6090517 -0.3058045 -0.1007523 -0.2814024 0.5348181 0.0555034 -0.1215012 0.0768526 0.3070395 9 H 0.6615039 0.0736118 0.6218229 0.0387886 0.2085340 0.0072609 0.6368187 0.0605680 1.3615032 10 H 0.6615039 0.0736118 -0.6218229 0.0387886 0.2085340 -0.0072609 -0.6368187 -0.0605680 1.3615032 11 H 0.6615039 -0.0736118 -0.6218229 -0.0387886 0.2085340 0.0072609 -0.6368187 0.0605680 1.3615032 12 H 0.6615039 -0.0736118 0.6218229 -0.0387886 0.2085340 -0.0072609 0.6368187 -0.0605680 1.3615032 13 H 0.6615039 0.0736118 0.6218229 0.0387886 0.2085340 0.0072609 0.6368187 0.0605680 1.3615032 14 H 0.6615039 0.0736118 -0.6218229 0.0387886 0.2085340 -0.0072609 -0.6368187 -0.0605680 1.3615032 15 H 0.6615039 -0.0736118 -0.6218229 -0.0387886 0.2085340 0.0072609 -0.6368187 0.0605680 1.3615032 16 H 0.6615039 -0.0736118 0.6218229 -0.0387886 0.2085340 -0.0072609 0.6368187 -0.0605680 1.3615032 17 H 0.9496937 -0.6459045 0.2595219 -0.6841523 1.0152153 -0.3799905 0.2852546 -0.3888238 0.3679492 18 H 0.9496937 -0.6459045 -0.2595219 -0.6841523 1.0152153 0.3799905 -0.2852546 0.3888238 0.3679492 19 H 0.9496937 0.6459045 -0.2595219 0.6841523 1.0152153 -0.3799905 -0.2852546 -0.3888238 0.3679492 20 H 0.9496937 0.6459045 0.2595219 0.6841523 1.0152153 0.3799905 0.2852546 0.3888238 0.3679492 21 H 0.9496937 -0.6459045 0.2595219 -0.6841523 1.0152153 -0.3799905 0.2852546 -0.3888238 0.3679492 22 H 0.9496937 -0.6459045 -0.2595219 -0.6841523 1.0152153 0.3799905 -0.2852546 0.3888238 0.3679492 23 H 0.9496937 0.6459045 -0.2595219 0.6841523 1.0152153 -0.3799905 -0.2852546 -0.3888238 0.3679492 24 H 0.9496937 0.6459045 0.2595219 0.6841523 1.0152153 0.3799905 0.2852546 0.3888238 0.3679492 25 H 0.4796861 0.4728164 -0.2402289 0.4621915 1.0901149 -0.4988860 -0.2242400 -0.5029678 0.5821296 26 H 0.4796861 0.4728164 0.2402289 0.4621915 1.0901149 0.4988860 0.2242400 0.5029678 0.5821296 27 H 0.4796861 -0.4728164 0.2402289 -0.4621915 1.0901149 -0.4988860 0.2242400 -0.5029678 0.5821296 28 H 0.4796861 -0.4728164 -0.2402289 -0.4621915 1.0901149 0.4988860 -0.2242400 0.5029678 0.5821296 29 H 0.4796861 0.4728164 -0.2402289 0.4621915 1.0901149 -0.4988860 -0.2242400 -0.5029678 0.5821296 30 H 0.4796861 0.4728164 0.2402289 0.4621915 1.0901149 0.4988860 0.2242400 0.5029678 0.5821296 31 H 0.4796861 -0.4728164 0.2402289 -0.4621915 1.0901149 -0.4988860 0.2242400 -0.5029678 0.5821296 32 H 0.4796861 -0.4728164 -0.2402289 -0.4621915 1.0901149 0.4988860 -0.2242400 0.5029678 0.5821296 33 O -1.5138554 0.3001457 0.0014117 0.4015927 -1.7634957 -0.1954399 0.0228132 -0.1231940 -1.7242426 34 O -1.5138554 0.3001457 -0.0014117 0.4015927 -1.7634957 0.1954399 -0.0228132 0.1231940 -1.7242426 35 O -1.5138554 -0.3001457 -0.0014117 -0.4015927 -1.7634957 -0.1954399 -0.0228132 -0.1231940 -1.7242426 36 O -1.5138554 -0.3001457 0.0014117 -0.4015927 -1.7634957 0.1954399 0.0228132 0.1231940 -1.7242426 37 O -1.5138554 0.3001457 0.0014117 0.4015927 -1.7634957 -0.1954399 0.0228132 -0.1231940 -1.7242426 38 O -1.5138554 0.3001457 -0.0014117 0.4015927 -1.7634957 0.1954399 -0.0228132 0.1231940 -1.7242426 39 O -1.5138554 -0.3001457 -0.0014117 -0.4015927 -1.7634957 -0.1954399 -0.0228132 -0.1231940 -1.7242426 40 O -1.5138554 -0.3001457 0.0014117 -0.4015927 -1.7634957 0.1954399 0.0228132 0.1231940 -1.7242426 41 O -1.7583515 0.0867341 -0.2766521 0.1650591 -1.5177593 0.1724921 -0.3050907 0.1464486 -1.5094883 42 O -1.7583515 0.0867341 0.2766521 0.1650591 -1.5177593 -0.1724921 0.3050907 -0.1464486 -1.5094883 43 O -1.7583515 -0.0867341 0.2766521 -0.1650591 -1.5177593 0.1724921 0.3050907 0.1464486 -1.5094883 44 O -1.7583515 -0.0867341 -0.2766521 -0.1650591 -1.5177593 -0.1724921 -0.3050907 -0.1464486 -1.5094883 45 O -1.7583515 0.0867341 -0.2766521 0.1650591 -1.5177593 0.1724921 -0.3050907 0.1464486 -1.5094883 46 O -1.7583515 0.0867341 0.2766521 0.1650591 -1.5177593 -0.1724921 0.3050907 -0.1464486 -1.5094883 47 O -1.7583515 -0.0867341 0.2766521 -0.1650591 -1.5177593 0.1724921 0.3050907 0.1464486 -1.5094883 48 O -1.7583515 -0.0867341 -0.2766521 -0.1650591 -1.5177593 -0.1724921 -0.3050907 -0.1464486 -1.5094883 49 O -1.3385112 0.0000000 0.2504645 0.0000000 -1.7092999 0.0000000 0.1966274 0.0000000 -1.4146701 50 O -1.3385112 0.0000000 -0.2504645 0.0000000 -1.7092999 0.0000000 -0.1966274 0.0000000 -1.4146701 51 O -1.3385112 0.0000000 -0.2504645 0.0000000 -1.7092999 0.0000000 -0.1966274 0.0000000 -1.4146701 52 O -1.3385112 0.0000000 0.2504645 0.0000000 -1.7092999 0.0000000 0.1966274 0.0000000 -1.4146701 53 Ba 2.4830542 0.0000000 0.0322709 0.0000000 2.5744454 0.0000000 0.0386179 0.0000000 2.6448888 54 Ba 2.4830542 0.0000000 -0.0322709 0.0000000 2.5744454 0.0000000 -0.0386179 0.0000000 2.6448888 55 Ba 2.4830542 0.0000000 -0.0322709 0.0000000 2.5744454 0.0000000 -0.0386179 0.0000000 2.6448888 56 Ba 2.4830542 0.0000000 0.0322709 0.0000000 2.5744454 0.0000000 0.0386179 0.0000000 2.6448888 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (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: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 260 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 8), data: (768, 20) @ (20, 8) |-- (268, 260), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 16), data: (800, 32) @ (32, 16) |-- (300, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.930 Solver_block: 200 / 880 - Time: 0.855 Solver_block: 300 / 880 - Time: 0.855 Solver_block: 400 / 880 - Time: 0.854 Solver_block: 500 / 880 - Time: 0.854 Solver_block: 600 / 880 - Time: 0.856 Solver_block: 700 / 880 - Time: 0.858 Solver_block: 800 / 880 - Time: 0.851 Solver_block: 880 / 880 - Time: 0.705 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.792 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (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: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 260 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 8), data: (768, 20) @ (20, 8) |-- (268, 260), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 16), data: (800, 32) @ (32, 16) |-- (300, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:23:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:23:20]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.423603460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.136336810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.881850430000000 Atomic positions (fractional): 1 H 0.95732867408881 0.01887601218971 0.26998511806942 1.008 2 H 0.54267132591119 0.98112398781029 0.76998511806942 1.008 3 H 0.45732867408881 0.48112398781029 0.23001488193058 1.008 4 H 0.04267132591119 0.51887601218971 0.73001488193058 1.008 5 H 0.04267132591119 0.98112398781029 0.73001488193058 1.008 6 H 0.45732867408881 0.01887601218971 0.23001488193058 1.008 7 H 0.54267132591119 0.51887601218971 0.76998511806942 1.008 8 H 0.95732867408881 0.48112398781029 0.26998511806942 1.008 9 H 0.16429667941051 0.08087041106611 0.47849798963113 1.008 10 H 0.33570332058949 0.91912958893389 0.97849798963113 1.008 11 H 0.66429667941051 0.41912958893389 0.02150201036887 1.008 12 H 0.83570332058949 0.58087041106611 0.52150201036887 1.008 13 H 0.83570332058949 0.91912958893389 0.52150201036887 1.008 14 H 0.66429667941051 0.08087041106611 0.02150201036887 1.008 15 H 0.33570332058949 0.58087041106611 0.97849798963113 1.008 16 H 0.16429667941051 0.41912958893389 0.47849798963113 1.008 17 H 0.30635603916340 0.01986538586323 0.67087454837322 1.008 18 H 0.19364396083660 0.98013461413677 0.17087454837322 1.008 19 H 0.80635603916340 0.48013461413677 0.82912545162678 1.008 20 H 0.69364396083660 0.51986538586323 0.32912545162678 1.008 21 H 0.69364396083660 0.98013461413677 0.32912545162678 1.008 22 H 0.80635603916340 0.01986538586323 0.82912545162678 1.008 23 H 0.19364396083660 0.51986538586323 0.17087454837322 1.008 24 H 0.30635603916340 0.48013461413677 0.67087454837322 1.008 25 H 0.95433176780678 0.32184359384650 0.39337555656165 1.008 26 H 0.54566823219322 0.67815640615350 0.89337555656165 1.008 27 H 0.45433176780679 0.17815640615351 0.10662444343835 1.008 28 H 0.04566823219322 0.82184359384650 0.60662444343835 1.008 29 H 0.04566823219322 0.67815640615350 0.60662444343835 1.008 30 H 0.45433176780679 0.32184359384650 0.10662444343835 1.008 31 H 0.54566823219322 0.82184359384650 0.89337555656165 1.008 32 H 0.95433176780678 0.17815640615351 0.39337555656165 1.008 33 O 0.05738217461090 0.07688241174892 0.25098892209106 15.999 34 O 0.44261782538910 0.92311758825108 0.75098892209106 15.999 35 O 0.55738217461090 0.42311758825108 0.24901107790894 15.999 36 O 0.94261782538910 0.57688241174892 0.74901107790894 15.999 37 O 0.94261782538910 0.92311758825108 0.74901107790894 15.999 38 O 0.55738217461090 0.07688241174892 0.24901107790894 15.999 39 O 0.44261782538910 0.57688241174892 0.75098892209106 15.999 40 O 0.05738217461090 0.42311758825108 0.25098892209106 15.999 41 O 0.22231041935340 0.09207054839969 0.63745003808600 15.999 42 O 0.27768958064660 0.90792945160031 0.13745003808600 15.999 43 O 0.72231041935340 0.40792945160031 0.86254996191400 15.999 44 O 0.77768958064660 0.59207054839969 0.36254996191400 15.999 45 O 0.77768958064660 0.90792945160031 0.36254996191400 15.999 46 O 0.72231041935340 0.09207054839969 0.86254996191400 15.999 47 O 0.27768958064660 0.59207054839969 0.13745003808600 15.999 48 O 0.22231041935340 0.40792945160031 0.63745003808600 15.999 49 O 0.10490425931103 0.75000000000000 0.52759424687700 15.999 50 O 0.39509574068897 0.25000000000000 0.02759424687700 15.999 51 O 0.60490425931103 0.75000000000000 0.97240575312300 15.999 52 O 0.89509574068897 0.25000000000000 0.47240575312300 15.999 53 Ba 0.96803456452169 0.75000000000000 0.08027741185886 137.327 54 Ba 0.53196543547831 0.25000000000000 0.58027741185886 137.327 55 Ba 0.46803456452169 0.75000000000000 0.41972258814114 137.327 56 Ba 0.03196543547831 0.25000000000000 0.91972258814114 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.423603460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.136336810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.763700860000000 Atomic positions (fractional): 1 H 0.95732867408881 0.01887601218971 0.13499255903471 1.008 > 1 2 H 0.95732867408881 0.01887601218971 0.63499255903471 1.008 > 1 3 H 0.54267132591119 0.98112398781029 0.38499255903471 1.008 > 3 4 H 0.54267132591119 0.98112398781029 0.88499255903471 1.008 > 3 5 H 0.45732867408881 0.48112398781029 0.11500744096529 1.008 > 5 6 H 0.45732867408881 0.48112398781029 0.61500744096529 1.008 > 5 7 H 0.04267132591119 0.51887601218971 0.36500744096529 1.008 > 7 8 H 0.04267132591119 0.51887601218971 0.86500744096529 1.008 > 7 9 H 0.04267132591119 0.98112398781029 0.36500744096529 1.008 > 9 10 H 0.04267132591119 0.98112398781029 0.86500744096529 1.008 > 9 11 H 0.45732867408881 0.01887601218971 0.11500744096529 1.008 > 11 12 H 0.45732867408881 0.01887601218971 0.61500744096529 1.008 > 11 13 H 0.54267132591119 0.51887601218971 0.38499255903471 1.008 > 13 14 H 0.54267132591119 0.51887601218971 0.88499255903471 1.008 > 13 15 H 0.95732867408881 0.48112398781029 0.13499255903471 1.008 > 15 16 H 0.95732867408881 0.48112398781029 0.63499255903471 1.008 > 15 17 H 0.16429667941051 0.08087041106611 0.23924899481557 1.008 > 17 18 H 0.16429667941051 0.08087041106611 0.73924899481557 1.008 > 17 19 H 0.33570332058949 0.91912958893389 0.48924899481557 1.008 > 19 20 H 0.33570332058949 0.91912958893389 0.98924899481557 1.008 > 19 21 H 0.66429667941051 0.41912958893389 0.01075100518443 1.008 > 21 22 H 0.66429667941051 0.41912958893389 0.51075100518443 1.008 > 21 23 H 0.83570332058949 0.58087041106611 0.26075100518443 1.008 > 23 24 H 0.83570332058949 0.58087041106611 0.76075100518443 1.008 > 23 25 H 0.83570332058949 0.91912958893389 0.26075100518443 1.008 > 25 26 H 0.83570332058949 0.91912958893389 0.76075100518443 1.008 > 25 27 H 0.66429667941051 0.08087041106611 0.01075100518443 1.008 > 27 28 H 0.66429667941051 0.08087041106611 0.51075100518443 1.008 > 27 29 H 0.33570332058949 0.58087041106611 0.48924899481557 1.008 > 29 30 H 0.33570332058949 0.58087041106611 0.98924899481557 1.008 > 29 31 H 0.16429667941051 0.41912958893389 0.23924899481557 1.008 > 31 32 H 0.16429667941051 0.41912958893389 0.73924899481557 1.008 > 31 33 H 0.30635603916340 0.01986538586323 0.33543727418661 1.008 > 33 34 H 0.30635603916340 0.01986538586323 0.83543727418661 1.008 > 33 35 H 0.19364396083660 0.98013461413677 0.08543727418661 1.008 > 35 36 H 0.19364396083660 0.98013461413677 0.58543727418661 1.008 > 35 37 H 0.80635603916340 0.48013461413677 0.41456272581339 1.008 > 37 38 H 0.80635603916340 0.48013461413677 0.91456272581339 1.008 > 37 39 H 0.69364396083660 0.51986538586323 0.16456272581339 1.008 > 39 40 H 0.69364396083660 0.51986538586323 0.66456272581339 1.008 > 39 41 H 0.69364396083660 0.98013461413677 0.16456272581339 1.008 > 41 42 H 0.69364396083660 0.98013461413677 0.66456272581339 1.008 > 41 43 H 0.80635603916340 0.01986538586323 0.41456272581339 1.008 > 43 44 H 0.80635603916340 0.01986538586323 0.91456272581339 1.008 > 43 45 H 0.19364396083660 0.51986538586323 0.08543727418661 1.008 > 45 46 H 0.19364396083660 0.51986538586323 0.58543727418661 1.008 > 45 47 H 0.30635603916340 0.48013461413677 0.33543727418661 1.008 > 47 48 H 0.30635603916340 0.48013461413677 0.83543727418661 1.008 > 47 49 H 0.95433176780678 0.32184359384650 0.19668777828082 1.008 > 49 50 H 0.95433176780678 0.32184359384650 0.69668777828082 1.008 > 49 51 H 0.54566823219322 0.67815640615350 0.44668777828082 1.008 > 51 52 H 0.54566823219322 0.67815640615350 0.94668777828082 1.008 > 51 53 H 0.45433176780679 0.17815640615351 0.05331222171918 1.008 > 53 54 H 0.45433176780679 0.17815640615351 0.55331222171918 1.008 > 53 55 H 0.04566823219322 0.82184359384650 0.30331222171918 1.008 > 55 56 H 0.04566823219322 0.82184359384650 0.80331222171918 1.008 > 55 57 H 0.04566823219322 0.67815640615350 0.30331222171918 1.008 > 57 58 H 0.04566823219322 0.67815640615350 0.80331222171918 1.008 > 57 59 H 0.45433176780679 0.32184359384650 0.05331222171918 1.008 > 59 60 H 0.45433176780679 0.32184359384650 0.55331222171918 1.008 > 59 61 H 0.54566823219322 0.82184359384650 0.44668777828082 1.008 > 61 62 H 0.54566823219322 0.82184359384650 0.94668777828082 1.008 > 61 63 H 0.95433176780678 0.17815640615351 0.19668777828082 1.008 > 63 64 H 0.95433176780678 0.17815640615351 0.69668777828082 1.008 > 63 65 O 0.05738217461090 0.07688241174892 0.12549446104553 15.999 > 65 66 O 0.05738217461090 0.07688241174892 0.62549446104553 15.999 > 65 67 O 0.44261782538910 0.92311758825108 0.37549446104553 15.999 > 67 68 O 0.44261782538910 0.92311758825108 0.87549446104553 15.999 > 67 69 O 0.55738217461090 0.42311758825108 0.12450553895447 15.999 > 69 70 O 0.55738217461090 0.42311758825108 0.62450553895447 15.999 > 69 71 O 0.94261782538910 0.57688241174892 0.37450553895447 15.999 > 71 72 O 0.94261782538910 0.57688241174892 0.87450553895447 15.999 > 71 73 O 0.94261782538910 0.92311758825108 0.37450553895447 15.999 > 73 74 O 0.94261782538910 0.92311758825108 0.87450553895447 15.999 > 73 75 O 0.55738217461090 0.07688241174892 0.12450553895447 15.999 > 75 76 O 0.55738217461090 0.07688241174892 0.62450553895447 15.999 > 75 77 O 0.44261782538910 0.57688241174892 0.37549446104553 15.999 > 77 78 O 0.44261782538910 0.57688241174892 0.87549446104553 15.999 > 77 79 O 0.05738217461090 0.42311758825108 0.12549446104553 15.999 > 79 80 O 0.05738217461090 0.42311758825108 0.62549446104553 15.999 > 79 81 O 0.22231041935340 0.09207054839969 0.31872501904300 15.999 > 81 82 O 0.22231041935340 0.09207054839969 0.81872501904300 15.999 > 81 83 O 0.27768958064660 0.90792945160031 0.06872501904300 15.999 > 83 84 O 0.27768958064660 0.90792945160031 0.56872501904300 15.999 > 83 85 O 0.72231041935340 0.40792945160031 0.43127498095700 15.999 > 85 86 O 0.72231041935340 0.40792945160031 0.93127498095700 15.999 > 85 87 O 0.77768958064660 0.59207054839969 0.18127498095700 15.999 > 87 88 O 0.77768958064660 0.59207054839969 0.68127498095700 15.999 > 87 89 O 0.77768958064660 0.90792945160031 0.18127498095700 15.999 > 89 90 O 0.77768958064660 0.90792945160031 0.68127498095700 15.999 > 89 91 O 0.72231041935340 0.09207054839969 0.43127498095700 15.999 > 91 92 O 0.72231041935340 0.09207054839969 0.93127498095700 15.999 > 91 93 O 0.27768958064660 0.59207054839969 0.06872501904300 15.999 > 93 94 O 0.27768958064660 0.59207054839969 0.56872501904300 15.999 > 93 95 O 0.22231041935340 0.40792945160031 0.31872501904300 15.999 > 95 96 O 0.22231041935340 0.40792945160031 0.81872501904300 15.999 > 95 97 O 0.10490425931103 0.75000000000000 0.26379712343850 15.999 > 97 98 O 0.10490425931103 0.75000000000000 0.76379712343850 15.999 > 97 99 O 0.39509574068897 0.25000000000000 0.01379712343850 15.999 > 99 100 O 0.39509574068897 0.25000000000000 0.51379712343850 15.999 > 99 101 O 0.60490425931103 0.75000000000000 0.48620287656150 15.999 > 101 102 O 0.60490425931103 0.75000000000000 0.98620287656150 15.999 > 101 103 O 0.89509574068897 0.25000000000000 0.23620287656150 15.999 > 103 104 O 0.89509574068897 0.25000000000000 0.73620287656150 15.999 > 103 105 Ba 0.96803456452169 0.75000000000000 0.04013870592943 137.327 > 105 106 Ba 0.96803456452169 0.75000000000000 0.54013870592943 137.327 > 105 107 Ba 0.53196543547831 0.25000000000000 0.29013870592943 137.327 > 107 108 Ba 0.53196543547831 0.25000000000000 0.79013870592943 137.327 > 107 109 Ba 0.46803456452169 0.75000000000000 0.20986129407057 137.327 > 109 110 Ba 0.46803456452169 0.75000000000000 0.70986129407057 137.327 > 109 111 Ba 0.03196543547831 0.25000000000000 0.45986129407057 137.327 > 111 112 Ba 0.03196543547831 0.25000000000000 0.95986129407057 137.327 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7123290 0.0000000 0.0000000 0.0000000 2.7548497 0.0000000 0.0000000 0.0000000 2.7500791 -------------------------- Born effective charges -------------------------- 1 H 0.6090517 0.3058045 -0.1007523 0.2814024 0.5348181 -0.0555034 -0.1215012 -0.0768526 0.3070395 2 H 0.6090517 0.3058045 0.1007523 0.2814024 0.5348181 0.0555034 0.1215012 0.0768526 0.3070395 3 H 0.6090517 -0.3058045 0.1007523 -0.2814024 0.5348181 -0.0555034 0.1215012 -0.0768526 0.3070395 4 H 0.6090517 -0.3058045 -0.1007523 -0.2814024 0.5348181 0.0555034 -0.1215012 0.0768526 0.3070395 5 H 0.6090517 0.3058045 -0.1007523 0.2814024 0.5348181 -0.0555034 -0.1215012 -0.0768526 0.3070395 6 H 0.6090517 0.3058045 0.1007523 0.2814024 0.5348181 0.0555034 0.1215012 0.0768526 0.3070395 7 H 0.6090517 -0.3058045 0.1007523 -0.2814024 0.5348181 -0.0555034 0.1215012 -0.0768526 0.3070395 8 H 0.6090517 -0.3058045 -0.1007523 -0.2814024 0.5348181 0.0555034 -0.1215012 0.0768526 0.3070395 9 H 0.6615039 0.0736118 0.6218229 0.0387886 0.2085340 0.0072609 0.6368187 0.0605680 1.3615032 10 H 0.6615039 0.0736118 -0.6218229 0.0387886 0.2085340 -0.0072609 -0.6368187 -0.0605680 1.3615032 11 H 0.6615039 -0.0736118 -0.6218229 -0.0387886 0.2085340 0.0072609 -0.6368187 0.0605680 1.3615032 12 H 0.6615039 -0.0736118 0.6218229 -0.0387886 0.2085340 -0.0072609 0.6368187 -0.0605680 1.3615032 13 H 0.6615039 0.0736118 0.6218229 0.0387886 0.2085340 0.0072609 0.6368187 0.0605680 1.3615032 14 H 0.6615039 0.0736118 -0.6218229 0.0387886 0.2085340 -0.0072609 -0.6368187 -0.0605680 1.3615032 15 H 0.6615039 -0.0736118 -0.6218229 -0.0387886 0.2085340 0.0072609 -0.6368187 0.0605680 1.3615032 16 H 0.6615039 -0.0736118 0.6218229 -0.0387886 0.2085340 -0.0072609 0.6368187 -0.0605680 1.3615032 17 H 0.9496937 -0.6459045 0.2595219 -0.6841523 1.0152153 -0.3799905 0.2852546 -0.3888238 0.3679492 18 H 0.9496937 -0.6459045 -0.2595219 -0.6841523 1.0152153 0.3799905 -0.2852546 0.3888238 0.3679492 19 H 0.9496937 0.6459045 -0.2595219 0.6841523 1.0152153 -0.3799905 -0.2852546 -0.3888238 0.3679492 20 H 0.9496937 0.6459045 0.2595219 0.6841523 1.0152153 0.3799905 0.2852546 0.3888238 0.3679492 21 H 0.9496937 -0.6459045 0.2595219 -0.6841523 1.0152153 -0.3799905 0.2852546 -0.3888238 0.3679492 22 H 0.9496937 -0.6459045 -0.2595219 -0.6841523 1.0152153 0.3799905 -0.2852546 0.3888238 0.3679492 23 H 0.9496937 0.6459045 -0.2595219 0.6841523 1.0152153 -0.3799905 -0.2852546 -0.3888238 0.3679492 24 H 0.9496937 0.6459045 0.2595219 0.6841523 1.0152153 0.3799905 0.2852546 0.3888238 0.3679492 25 H 0.4796861 0.4728164 -0.2402289 0.4621915 1.0901149 -0.4988860 -0.2242400 -0.5029678 0.5821296 26 H 0.4796861 0.4728164 0.2402289 0.4621915 1.0901149 0.4988860 0.2242400 0.5029678 0.5821296 27 H 0.4796861 -0.4728164 0.2402289 -0.4621915 1.0901149 -0.4988860 0.2242400 -0.5029678 0.5821296 28 H 0.4796861 -0.4728164 -0.2402289 -0.4621915 1.0901149 0.4988860 -0.2242400 0.5029678 0.5821296 29 H 0.4796861 0.4728164 -0.2402289 0.4621915 1.0901149 -0.4988860 -0.2242400 -0.5029678 0.5821296 30 H 0.4796861 0.4728164 0.2402289 0.4621915 1.0901149 0.4988860 0.2242400 0.5029678 0.5821296 31 H 0.4796861 -0.4728164 0.2402289 -0.4621915 1.0901149 -0.4988860 0.2242400 -0.5029678 0.5821296 32 H 0.4796861 -0.4728164 -0.2402289 -0.4621915 1.0901149 0.4988860 -0.2242400 0.5029678 0.5821296 33 O -1.5138554 0.3001457 0.0014117 0.4015927 -1.7634957 -0.1954399 0.0228132 -0.1231940 -1.7242426 34 O -1.5138554 0.3001457 -0.0014117 0.4015927 -1.7634957 0.1954399 -0.0228132 0.1231940 -1.7242426 35 O -1.5138554 -0.3001457 -0.0014117 -0.4015927 -1.7634957 -0.1954399 -0.0228132 -0.1231940 -1.7242426 36 O -1.5138554 -0.3001457 0.0014117 -0.4015927 -1.7634957 0.1954399 0.0228132 0.1231940 -1.7242426 37 O -1.5138554 0.3001457 0.0014117 0.4015927 -1.7634957 -0.1954399 0.0228132 -0.1231940 -1.7242426 38 O -1.5138554 0.3001457 -0.0014117 0.4015927 -1.7634957 0.1954399 -0.0228132 0.1231940 -1.7242426 39 O -1.5138554 -0.3001457 -0.0014117 -0.4015927 -1.7634957 -0.1954399 -0.0228132 -0.1231940 -1.7242426 40 O -1.5138554 -0.3001457 0.0014117 -0.4015927 -1.7634957 0.1954399 0.0228132 0.1231940 -1.7242426 41 O -1.7583515 0.0867341 -0.2766521 0.1650591 -1.5177593 0.1724921 -0.3050907 0.1464486 -1.5094883 42 O -1.7583515 0.0867341 0.2766521 0.1650591 -1.5177593 -0.1724921 0.3050907 -0.1464486 -1.5094883 43 O -1.7583515 -0.0867341 0.2766521 -0.1650591 -1.5177593 0.1724921 0.3050907 0.1464486 -1.5094883 44 O -1.7583515 -0.0867341 -0.2766521 -0.1650591 -1.5177593 -0.1724921 -0.3050907 -0.1464486 -1.5094883 45 O -1.7583515 0.0867341 -0.2766521 0.1650591 -1.5177593 0.1724921 -0.3050907 0.1464486 -1.5094883 46 O -1.7583515 0.0867341 0.2766521 0.1650591 -1.5177593 -0.1724921 0.3050907 -0.1464486 -1.5094883 47 O -1.7583515 -0.0867341 0.2766521 -0.1650591 -1.5177593 0.1724921 0.3050907 0.1464486 -1.5094883 48 O -1.7583515 -0.0867341 -0.2766521 -0.1650591 -1.5177593 -0.1724921 -0.3050907 -0.1464486 -1.5094883 49 O -1.3385112 0.0000000 0.2504645 0.0000000 -1.7092999 0.0000000 0.1966274 0.0000000 -1.4146701 50 O -1.3385112 0.0000000 -0.2504645 0.0000000 -1.7092999 0.0000000 -0.1966274 0.0000000 -1.4146701 51 O -1.3385112 0.0000000 -0.2504645 0.0000000 -1.7092999 0.0000000 -0.1966274 0.0000000 -1.4146701 52 O -1.3385112 0.0000000 0.2504645 0.0000000 -1.7092999 0.0000000 0.1966274 0.0000000 -1.4146701 53 Ba 2.4830542 0.0000000 0.0322709 0.0000000 2.5744454 0.0000000 0.0386179 0.0000000 2.6448888 54 Ba 2.4830542 0.0000000 -0.0322709 0.0000000 2.5744454 0.0000000 -0.0386179 0.0000000 2.6448888 55 Ba 2.4830542 0.0000000 -0.0322709 0.0000000 2.5744454 0.0000000 -0.0386179 0.0000000 2.6448888 56 Ba 2.4830542 0.0000000 0.0322709 0.0000000 2.5744454 0.0000000 0.0386179 0.0000000 2.6448888 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zxz) 0.00000001 (zxz) 0.00000001 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) 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 07:23:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:23:58]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.423603460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.136336810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.881850430000000 Atomic positions (fractional): 1 H 0.95732867408881 0.01887601218971 0.26998511806942 1.008 2 H 0.54267132591119 0.98112398781029 0.76998511806942 1.008 3 H 0.45732867408881 0.48112398781029 0.23001488193058 1.008 4 H 0.04267132591119 0.51887601218971 0.73001488193058 1.008 5 H 0.04267132591119 0.98112398781029 0.73001488193058 1.008 6 H 0.45732867408881 0.01887601218971 0.23001488193058 1.008 7 H 0.54267132591119 0.51887601218971 0.76998511806942 1.008 8 H 0.95732867408881 0.48112398781029 0.26998511806942 1.008 9 H 0.16429667941051 0.08087041106611 0.47849798963113 1.008 10 H 0.33570332058949 0.91912958893389 0.97849798963113 1.008 11 H 0.66429667941051 0.41912958893389 0.02150201036887 1.008 12 H 0.83570332058949 0.58087041106611 0.52150201036887 1.008 13 H 0.83570332058949 0.91912958893389 0.52150201036887 1.008 14 H 0.66429667941051 0.08087041106611 0.02150201036887 1.008 15 H 0.33570332058949 0.58087041106611 0.97849798963113 1.008 16 H 0.16429667941051 0.41912958893389 0.47849798963113 1.008 17 H 0.30635603916340 0.01986538586323 0.67087454837322 1.008 18 H 0.19364396083660 0.98013461413677 0.17087454837322 1.008 19 H 0.80635603916340 0.48013461413677 0.82912545162678 1.008 20 H 0.69364396083660 0.51986538586323 0.32912545162678 1.008 21 H 0.69364396083660 0.98013461413677 0.32912545162678 1.008 22 H 0.80635603916340 0.01986538586323 0.82912545162678 1.008 23 H 0.19364396083660 0.51986538586323 0.17087454837322 1.008 24 H 0.30635603916340 0.48013461413677 0.67087454837322 1.008 25 H 0.95433176780678 0.32184359384650 0.39337555656165 1.008 26 H 0.54566823219322 0.67815640615350 0.89337555656165 1.008 27 H 0.45433176780679 0.17815640615351 0.10662444343835 1.008 28 H 0.04566823219322 0.82184359384650 0.60662444343835 1.008 29 H 0.04566823219322 0.67815640615350 0.60662444343835 1.008 30 H 0.45433176780679 0.32184359384650 0.10662444343835 1.008 31 H 0.54566823219322 0.82184359384650 0.89337555656165 1.008 32 H 0.95433176780678 0.17815640615351 0.39337555656165 1.008 33 O 0.05738217461090 0.07688241174892 0.25098892209106 15.999 34 O 0.44261782538910 0.92311758825108 0.75098892209106 15.999 35 O 0.55738217461090 0.42311758825108 0.24901107790894 15.999 36 O 0.94261782538910 0.57688241174892 0.74901107790894 15.999 37 O 0.94261782538910 0.92311758825108 0.74901107790894 15.999 38 O 0.55738217461090 0.07688241174892 0.24901107790894 15.999 39 O 0.44261782538910 0.57688241174892 0.75098892209106 15.999 40 O 0.05738217461090 0.42311758825108 0.25098892209106 15.999 41 O 0.22231041935340 0.09207054839969 0.63745003808600 15.999 42 O 0.27768958064660 0.90792945160031 0.13745003808600 15.999 43 O 0.72231041935340 0.40792945160031 0.86254996191400 15.999 44 O 0.77768958064660 0.59207054839969 0.36254996191400 15.999 45 O 0.77768958064660 0.90792945160031 0.36254996191400 15.999 46 O 0.72231041935340 0.09207054839969 0.86254996191400 15.999 47 O 0.27768958064660 0.59207054839969 0.13745003808600 15.999 48 O 0.22231041935340 0.40792945160031 0.63745003808600 15.999 49 O 0.10490425931103 0.75000000000000 0.52759424687700 15.999 50 O 0.39509574068897 0.25000000000000 0.02759424687700 15.999 51 O 0.60490425931103 0.75000000000000 0.97240575312300 15.999 52 O 0.89509574068897 0.25000000000000 0.47240575312300 15.999 53 Ba 0.96803456452169 0.75000000000000 0.08027741185886 137.327 54 Ba 0.53196543547831 0.25000000000000 0.58027741185886 137.327 55 Ba 0.46803456452169 0.75000000000000 0.41972258814114 137.327 56 Ba 0.03196543547831 0.25000000000000 0.91972258814114 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.423603460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.136336810000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.763700860000000 Atomic positions (fractional): 1 H 0.95732867408881 0.01887601218971 0.13499255903471 1.008 > 1 2 H 0.95732867408881 0.01887601218971 0.63499255903471 1.008 > 1 3 H 0.54267132591119 0.98112398781029 0.38499255903471 1.008 > 3 4 H 0.54267132591119 0.98112398781029 0.88499255903471 1.008 > 3 5 H 0.45732867408881 0.48112398781029 0.11500744096529 1.008 > 5 6 H 0.45732867408881 0.48112398781029 0.61500744096529 1.008 > 5 7 H 0.04267132591119 0.51887601218971 0.36500744096529 1.008 > 7 8 H 0.04267132591119 0.51887601218971 0.86500744096529 1.008 > 7 9 H 0.04267132591119 0.98112398781029 0.36500744096529 1.008 > 9 10 H 0.04267132591119 0.98112398781029 0.86500744096529 1.008 > 9 11 H 0.45732867408881 0.01887601218971 0.11500744096529 1.008 > 11 12 H 0.45732867408881 0.01887601218971 0.61500744096529 1.008 > 11 13 H 0.54267132591119 0.51887601218971 0.38499255903471 1.008 > 13 14 H 0.54267132591119 0.51887601218971 0.88499255903471 1.008 > 13 15 H 0.95732867408881 0.48112398781029 0.13499255903471 1.008 > 15 16 H 0.95732867408881 0.48112398781029 0.63499255903471 1.008 > 15 17 H 0.16429667941051 0.08087041106611 0.23924899481557 1.008 > 17 18 H 0.16429667941051 0.08087041106611 0.73924899481557 1.008 > 17 19 H 0.33570332058949 0.91912958893389 0.48924899481557 1.008 > 19 20 H 0.33570332058949 0.91912958893389 0.98924899481557 1.008 > 19 21 H 0.66429667941051 0.41912958893389 0.01075100518443 1.008 > 21 22 H 0.66429667941051 0.41912958893389 0.51075100518443 1.008 > 21 23 H 0.83570332058949 0.58087041106611 0.26075100518443 1.008 > 23 24 H 0.83570332058949 0.58087041106611 0.76075100518443 1.008 > 23 25 H 0.83570332058949 0.91912958893389 0.26075100518443 1.008 > 25 26 H 0.83570332058949 0.91912958893389 0.76075100518443 1.008 > 25 27 H 0.66429667941051 0.08087041106611 0.01075100518443 1.008 > 27 28 H 0.66429667941051 0.08087041106611 0.51075100518443 1.008 > 27 29 H 0.33570332058949 0.58087041106611 0.48924899481557 1.008 > 29 30 H 0.33570332058949 0.58087041106611 0.98924899481557 1.008 > 29 31 H 0.16429667941051 0.41912958893389 0.23924899481557 1.008 > 31 32 H 0.16429667941051 0.41912958893389 0.73924899481557 1.008 > 31 33 H 0.30635603916340 0.01986538586323 0.33543727418661 1.008 > 33 34 H 0.30635603916340 0.01986538586323 0.83543727418661 1.008 > 33 35 H 0.19364396083660 0.98013461413677 0.08543727418661 1.008 > 35 36 H 0.19364396083660 0.98013461413677 0.58543727418661 1.008 > 35 37 H 0.80635603916340 0.48013461413677 0.41456272581339 1.008 > 37 38 H 0.80635603916340 0.48013461413677 0.91456272581339 1.008 > 37 39 H 0.69364396083660 0.51986538586323 0.16456272581339 1.008 > 39 40 H 0.69364396083660 0.51986538586323 0.66456272581339 1.008 > 39 41 H 0.69364396083660 0.98013461413677 0.16456272581339 1.008 > 41 42 H 0.69364396083660 0.98013461413677 0.66456272581339 1.008 > 41 43 H 0.80635603916340 0.01986538586323 0.41456272581339 1.008 > 43 44 H 0.80635603916340 0.01986538586323 0.91456272581339 1.008 > 43 45 H 0.19364396083660 0.51986538586323 0.08543727418661 1.008 > 45 46 H 0.19364396083660 0.51986538586323 0.58543727418661 1.008 > 45 47 H 0.30635603916340 0.48013461413677 0.33543727418661 1.008 > 47 48 H 0.30635603916340 0.48013461413677 0.83543727418661 1.008 > 47 49 H 0.95433176780678 0.32184359384650 0.19668777828082 1.008 > 49 50 H 0.95433176780678 0.32184359384650 0.69668777828082 1.008 > 49 51 H 0.54566823219322 0.67815640615350 0.44668777828082 1.008 > 51 52 H 0.54566823219322 0.67815640615350 0.94668777828082 1.008 > 51 53 H 0.45433176780679 0.17815640615351 0.05331222171918 1.008 > 53 54 H 0.45433176780679 0.17815640615351 0.55331222171918 1.008 > 53 55 H 0.04566823219322 0.82184359384650 0.30331222171918 1.008 > 55 56 H 0.04566823219322 0.82184359384650 0.80331222171918 1.008 > 55 57 H 0.04566823219322 0.67815640615350 0.30331222171918 1.008 > 57 58 H 0.04566823219322 0.67815640615350 0.80331222171918 1.008 > 57 59 H 0.45433176780679 0.32184359384650 0.05331222171918 1.008 > 59 60 H 0.45433176780679 0.32184359384650 0.55331222171918 1.008 > 59 61 H 0.54566823219322 0.82184359384650 0.44668777828082 1.008 > 61 62 H 0.54566823219322 0.82184359384650 0.94668777828082 1.008 > 61 63 H 0.95433176780678 0.17815640615351 0.19668777828082 1.008 > 63 64 H 0.95433176780678 0.17815640615351 0.69668777828082 1.008 > 63 65 O 0.05738217461090 0.07688241174892 0.12549446104553 15.999 > 65 66 O 0.05738217461090 0.07688241174892 0.62549446104553 15.999 > 65 67 O 0.44261782538910 0.92311758825108 0.37549446104553 15.999 > 67 68 O 0.44261782538910 0.92311758825108 0.87549446104553 15.999 > 67 69 O 0.55738217461090 0.42311758825108 0.12450553895447 15.999 > 69 70 O 0.55738217461090 0.42311758825108 0.62450553895447 15.999 > 69 71 O 0.94261782538910 0.57688241174892 0.37450553895447 15.999 > 71 72 O 0.94261782538910 0.57688241174892 0.87450553895447 15.999 > 71 73 O 0.94261782538910 0.92311758825108 0.37450553895447 15.999 > 73 74 O 0.94261782538910 0.92311758825108 0.87450553895447 15.999 > 73 75 O 0.55738217461090 0.07688241174892 0.12450553895447 15.999 > 75 76 O 0.55738217461090 0.07688241174892 0.62450553895447 15.999 > 75 77 O 0.44261782538910 0.57688241174892 0.37549446104553 15.999 > 77 78 O 0.44261782538910 0.57688241174892 0.87549446104553 15.999 > 77 79 O 0.05738217461090 0.42311758825108 0.12549446104553 15.999 > 79 80 O 0.05738217461090 0.42311758825108 0.62549446104553 15.999 > 79 81 O 0.22231041935340 0.09207054839969 0.31872501904300 15.999 > 81 82 O 0.22231041935340 0.09207054839969 0.81872501904300 15.999 > 81 83 O 0.27768958064660 0.90792945160031 0.06872501904300 15.999 > 83 84 O 0.27768958064660 0.90792945160031 0.56872501904300 15.999 > 83 85 O 0.72231041935340 0.40792945160031 0.43127498095700 15.999 > 85 86 O 0.72231041935340 0.40792945160031 0.93127498095700 15.999 > 85 87 O 0.77768958064660 0.59207054839969 0.18127498095700 15.999 > 87 88 O 0.77768958064660 0.59207054839969 0.68127498095700 15.999 > 87 89 O 0.77768958064660 0.90792945160031 0.18127498095700 15.999 > 89 90 O 0.77768958064660 0.90792945160031 0.68127498095700 15.999 > 89 91 O 0.72231041935340 0.09207054839969 0.43127498095700 15.999 > 91 92 O 0.72231041935340 0.09207054839969 0.93127498095700 15.999 > 91 93 O 0.27768958064660 0.59207054839969 0.06872501904300 15.999 > 93 94 O 0.27768958064660 0.59207054839969 0.56872501904300 15.999 > 93 95 O 0.22231041935340 0.40792945160031 0.31872501904300 15.999 > 95 96 O 0.22231041935340 0.40792945160031 0.81872501904300 15.999 > 95 97 O 0.10490425931103 0.75000000000000 0.26379712343850 15.999 > 97 98 O 0.10490425931103 0.75000000000000 0.76379712343850 15.999 > 97 99 O 0.39509574068897 0.25000000000000 0.01379712343850 15.999 > 99 100 O 0.39509574068897 0.25000000000000 0.51379712343850 15.999 > 99 101 O 0.60490425931103 0.75000000000000 0.48620287656150 15.999 > 101 102 O 0.60490425931103 0.75000000000000 0.98620287656150 15.999 > 101 103 O 0.89509574068897 0.25000000000000 0.23620287656150 15.999 > 103 104 O 0.89509574068897 0.25000000000000 0.73620287656150 15.999 > 103 105 Ba 0.96803456452169 0.75000000000000 0.04013870592943 137.327 > 105 106 Ba 0.96803456452169 0.75000000000000 0.54013870592943 137.327 > 105 107 Ba 0.53196543547831 0.25000000000000 0.29013870592943 137.327 > 107 108 Ba 0.53196543547831 0.25000000000000 0.79013870592943 137.327 > 107 109 Ba 0.46803456452169 0.75000000000000 0.20986129407057 137.327 > 109 110 Ba 0.46803456452169 0.75000000000000 0.70986129407057 137.327 > 109 111 Ba 0.03196543547831 0.25000000000000 0.45986129407057 137.327 > 111 112 Ba 0.03196543547831 0.25000000000000 0.95986129407057 137.327 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7123290 0.0000000 0.0000000 0.0000000 2.7548497 0.0000000 0.0000000 0.0000000 2.7500791 -------------------------- Born effective charges -------------------------- 1 H 0.6090517 0.3058045 -0.1007523 0.2814024 0.5348181 -0.0555034 -0.1215012 -0.0768526 0.3070395 2 H 0.6090517 0.3058045 0.1007523 0.2814024 0.5348181 0.0555034 0.1215012 0.0768526 0.3070395 3 H 0.6090517 -0.3058045 0.1007523 -0.2814024 0.5348181 -0.0555034 0.1215012 -0.0768526 0.3070395 4 H 0.6090517 -0.3058045 -0.1007523 -0.2814024 0.5348181 0.0555034 -0.1215012 0.0768526 0.3070395 5 H 0.6090517 0.3058045 -0.1007523 0.2814024 0.5348181 -0.0555034 -0.1215012 -0.0768526 0.3070395 6 H 0.6090517 0.3058045 0.1007523 0.2814024 0.5348181 0.0555034 0.1215012 0.0768526 0.3070395 7 H 0.6090517 -0.3058045 0.1007523 -0.2814024 0.5348181 -0.0555034 0.1215012 -0.0768526 0.3070395 8 H 0.6090517 -0.3058045 -0.1007523 -0.2814024 0.5348181 0.0555034 -0.1215012 0.0768526 0.3070395 9 H 0.6615039 0.0736118 0.6218229 0.0387886 0.2085340 0.0072609 0.6368187 0.0605680 1.3615032 10 H 0.6615039 0.0736118 -0.6218229 0.0387886 0.2085340 -0.0072609 -0.6368187 -0.0605680 1.3615032 11 H 0.6615039 -0.0736118 -0.6218229 -0.0387886 0.2085340 0.0072609 -0.6368187 0.0605680 1.3615032 12 H 0.6615039 -0.0736118 0.6218229 -0.0387886 0.2085340 -0.0072609 0.6368187 -0.0605680 1.3615032 13 H 0.6615039 0.0736118 0.6218229 0.0387886 0.2085340 0.0072609 0.6368187 0.0605680 1.3615032 14 H 0.6615039 0.0736118 -0.6218229 0.0387886 0.2085340 -0.0072609 -0.6368187 -0.0605680 1.3615032 15 H 0.6615039 -0.0736118 -0.6218229 -0.0387886 0.2085340 0.0072609 -0.6368187 0.0605680 1.3615032 16 H 0.6615039 -0.0736118 0.6218229 -0.0387886 0.2085340 -0.0072609 0.6368187 -0.0605680 1.3615032 17 H 0.9496937 -0.6459045 0.2595219 -0.6841523 1.0152153 -0.3799905 0.2852546 -0.3888238 0.3679492 18 H 0.9496937 -0.6459045 -0.2595219 -0.6841523 1.0152153 0.3799905 -0.2852546 0.3888238 0.3679492 19 H 0.9496937 0.6459045 -0.2595219 0.6841523 1.0152153 -0.3799905 -0.2852546 -0.3888238 0.3679492 20 H 0.9496937 0.6459045 0.2595219 0.6841523 1.0152153 0.3799905 0.2852546 0.3888238 0.3679492 21 H 0.9496937 -0.6459045 0.2595219 -0.6841523 1.0152153 -0.3799905 0.2852546 -0.3888238 0.3679492 22 H 0.9496937 -0.6459045 -0.2595219 -0.6841523 1.0152153 0.3799905 -0.2852546 0.3888238 0.3679492 23 H 0.9496937 0.6459045 -0.2595219 0.6841523 1.0152153 -0.3799905 -0.2852546 -0.3888238 0.3679492 24 H 0.9496937 0.6459045 0.2595219 0.6841523 1.0152153 0.3799905 0.2852546 0.3888238 0.3679492 25 H 0.4796861 0.4728164 -0.2402289 0.4621915 1.0901149 -0.4988860 -0.2242400 -0.5029678 0.5821296 26 H 0.4796861 0.4728164 0.2402289 0.4621915 1.0901149 0.4988860 0.2242400 0.5029678 0.5821296 27 H 0.4796861 -0.4728164 0.2402289 -0.4621915 1.0901149 -0.4988860 0.2242400 -0.5029678 0.5821296 28 H 0.4796861 -0.4728164 -0.2402289 -0.4621915 1.0901149 0.4988860 -0.2242400 0.5029678 0.5821296 29 H 0.4796861 0.4728164 -0.2402289 0.4621915 1.0901149 -0.4988860 -0.2242400 -0.5029678 0.5821296 30 H 0.4796861 0.4728164 0.2402289 0.4621915 1.0901149 0.4988860 0.2242400 0.5029678 0.5821296 31 H 0.4796861 -0.4728164 0.2402289 -0.4621915 1.0901149 -0.4988860 0.2242400 -0.5029678 0.5821296 32 H 0.4796861 -0.4728164 -0.2402289 -0.4621915 1.0901149 0.4988860 -0.2242400 0.5029678 0.5821296 33 O -1.5138554 0.3001457 0.0014117 0.4015927 -1.7634957 -0.1954399 0.0228132 -0.1231940 -1.7242426 34 O -1.5138554 0.3001457 -0.0014117 0.4015927 -1.7634957 0.1954399 -0.0228132 0.1231940 -1.7242426 35 O -1.5138554 -0.3001457 -0.0014117 -0.4015927 -1.7634957 -0.1954399 -0.0228132 -0.1231940 -1.7242426 36 O -1.5138554 -0.3001457 0.0014117 -0.4015927 -1.7634957 0.1954399 0.0228132 0.1231940 -1.7242426 37 O -1.5138554 0.3001457 0.0014117 0.4015927 -1.7634957 -0.1954399 0.0228132 -0.1231940 -1.7242426 38 O -1.5138554 0.3001457 -0.0014117 0.4015927 -1.7634957 0.1954399 -0.0228132 0.1231940 -1.7242426 39 O -1.5138554 -0.3001457 -0.0014117 -0.4015927 -1.7634957 -0.1954399 -0.0228132 -0.1231940 -1.7242426 40 O -1.5138554 -0.3001457 0.0014117 -0.4015927 -1.7634957 0.1954399 0.0228132 0.1231940 -1.7242426 41 O -1.7583515 0.0867341 -0.2766521 0.1650591 -1.5177593 0.1724921 -0.3050907 0.1464486 -1.5094883 42 O -1.7583515 0.0867341 0.2766521 0.1650591 -1.5177593 -0.1724921 0.3050907 -0.1464486 -1.5094883 43 O -1.7583515 -0.0867341 0.2766521 -0.1650591 -1.5177593 0.1724921 0.3050907 0.1464486 -1.5094883 44 O -1.7583515 -0.0867341 -0.2766521 -0.1650591 -1.5177593 -0.1724921 -0.3050907 -0.1464486 -1.5094883 45 O -1.7583515 0.0867341 -0.2766521 0.1650591 -1.5177593 0.1724921 -0.3050907 0.1464486 -1.5094883 46 O -1.7583515 0.0867341 0.2766521 0.1650591 -1.5177593 -0.1724921 0.3050907 -0.1464486 -1.5094883 47 O -1.7583515 -0.0867341 0.2766521 -0.1650591 -1.5177593 0.1724921 0.3050907 0.1464486 -1.5094883 48 O -1.7583515 -0.0867341 -0.2766521 -0.1650591 -1.5177593 -0.1724921 -0.3050907 -0.1464486 -1.5094883 49 O -1.3385112 0.0000000 0.2504645 0.0000000 -1.7092999 0.0000000 0.1966274 0.0000000 -1.4146701 50 O -1.3385112 0.0000000 -0.2504645 0.0000000 -1.7092999 0.0000000 -0.1966274 0.0000000 -1.4146701 51 O -1.3385112 0.0000000 -0.2504645 0.0000000 -1.7092999 0.0000000 -0.1966274 0.0000000 -1.4146701 52 O -1.3385112 0.0000000 0.2504645 0.0000000 -1.7092999 0.0000000 0.1966274 0.0000000 -1.4146701 53 Ba 2.4830542 0.0000000 0.0322709 0.0000000 2.5744454 0.0000000 0.0386179 0.0000000 2.6448888 54 Ba 2.4830542 0.0000000 -0.0322709 0.0000000 2.5744454 0.0000000 -0.0386179 0.0000000 2.6448888 55 Ba 2.4830542 0.0000000 -0.0322709 0.0000000 2.5744454 0.0000000 -0.0386179 0.0000000 2.6448888 56 Ba 2.4830542 0.0000000 0.0322709 0.0000000 2.5744454 0.0000000 0.0386179 0.0000000 2.6448888 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zxz) 0.00000001 (zxz) 0.00000001 (zzx) 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 ... [ 7 4 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 291, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 2.212 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.778 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 6.069 ( 0.000 0.000 0.000) 0.000 6.319 ( 0.000 0.000 0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 7.042 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.362 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.604 ( 0.000 0.000 0.000) 0.000 7.746 ( 0.000 0.000 0.000) 0.000 7.782 ( 0.000 0.000 0.000) 0.000 7.933 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 8.740 ( 0.000 0.000 0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.689 ( 0.000 0.000 0.000) 0.000 9.917 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 10.338 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.820 ( 0.000 0.000 0.000) 0.000 10.901 ( 0.000 0.000 0.000) 0.000 11.061 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 11.122 ( 0.000 0.000 0.000) 0.000 11.336 ( 0.000 0.000 0.000) 0.000 11.722 ( 0.000 0.000 0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 12.269 ( 0.000 0.000 0.000) 0.000 12.720 ( 0.000 0.000 0.000) 0.000 19.665 ( 0.000 0.000 0.000) 0.000 19.726 ( 0.000 0.000 0.000) 0.000 20.467 ( 0.000 0.000 0.000) 0.000 20.580 ( 0.000 0.000 0.000) 0.000 21.476 ( 0.000 0.000 0.000) 0.000 21.563 ( 0.000 0.000 0.000) 0.000 21.695 ( 0.000 0.000 0.000) 0.000 21.859 ( 0.000 0.000 0.000) 0.000 22.128 ( 0.000 0.000 0.000) 0.000 22.154 ( 0.000 0.000 0.000) 0.000 22.799 ( 0.000 0.000 0.000) 0.000 23.258 ( 0.000 0.000 0.000) 0.000 23.270 ( 0.000 0.000 0.000) 0.000 24.088 ( 0.000 0.000 0.000) 0.000 25.005 ( 0.000 0.000 0.000) 0.000 25.806 ( 0.000 0.000 0.000) 0.000 25.863 ( 0.000 0.000 0.000) 0.000 26.133 ( 0.000 0.000 0.000) 0.000 26.363 ( 0.000 0.000 0.000) 0.000 26.387 ( 0.000 0.000 0.000) 0.000 26.989 ( 0.000 0.000 0.000) 0.000 27.092 ( 0.000 0.000 0.000) 0.000 27.764 ( 0.000 0.000 0.000) 0.000 27.810 ( 0.000 0.000 0.000) 0.000 28.010 ( 0.000 0.000 0.000) 0.000 28.141 ( 0.000 0.000 0.000) 0.000 29.372 ( 0.000 0.000 0.000) 0.000 30.024 ( 0.000 0.000 0.000) 0.000 30.297 ( 0.000 0.000 0.000) 0.000 30.325 ( 0.000 0.000 0.000) 0.000 30.574 ( 0.000 0.000 0.000) 0.000 30.931 ( 0.000 0.000 0.000) 0.000 30.989 ( 0.000 0.000 0.000) 0.000 31.447 ( 0.000 0.000 0.000) 0.000 31.581 ( 0.000 0.000 0.000) 0.000 31.744 ( 0.000 0.000 0.000) 0.000 32.107 ( 0.000 0.000 0.000) 0.000 32.531 ( 0.000 0.000 0.000) 0.000 32.977 ( 0.000 0.000 0.000) 0.000 32.995 ( 0.000 0.000 0.000) 0.000 34.474 ( 0.000 0.000 0.000) 0.000 34.595 ( 0.000 0.000 0.000) 0.000 34.805 ( 0.000 0.000 0.000) 0.000 35.038 ( 0.000 0.000 0.000) 0.000 35.102 ( 0.000 0.000 0.000) 0.000 35.611 ( 0.000 0.000 0.000) 0.000 35.750 ( 0.000 0.000 0.000) 0.000 36.029 ( 0.000 0.000 0.000) 0.000 37.397 ( 0.000 0.000 0.000) 0.000 37.498 ( 0.000 0.000 0.000) 0.000 37.857 ( 0.000 0.000 0.000) 0.000 37.949 ( 0.000 0.000 0.000) 0.000 46.625 ( 0.000 0.000 0.000) 0.000 46.814 ( 0.000 0.000 0.000) 0.000 46.831 ( 0.000 0.000 0.000) 0.000 46.983 ( 0.000 0.000 0.000) 0.000 48.010 ( 0.000 0.000 0.000) 0.000 48.188 ( 0.000 0.000 0.000) 0.000 48.269 ( 0.000 0.000 0.000) 0.000 48.292 ( 0.000 0.000 0.000) 0.000 49.694 ( 0.000 0.000 0.000) 0.000 49.792 ( 0.000 0.000 0.000) 0.000 49.797 ( 0.000 0.000 0.000) 0.000 50.124 ( 0.000 0.000 0.000) 0.000 72.678 ( 0.000 0.000 0.000) 0.000 72.707 ( 0.000 0.000 0.000) 0.000 72.722 ( 0.000 0.000 0.000) 0.000 72.723 ( 0.000 0.000 0.000) 0.000 75.319 ( 0.000 0.000 0.000) 0.000 75.654 ( 0.000 0.000 0.000) 0.000 76.133 ( 0.000 0.000 0.000) 0.000 76.333 ( 0.000 0.000 0.000) 0.000 76.627 ( 0.000 0.000 0.000) 0.000 77.138 ( 0.000 0.000 0.000) 0.000 77.195 ( 0.000 0.000 0.000) 0.000 77.646 ( 0.000 0.000 0.000) 0.000 77.889 ( 0.000 0.000 0.000) 0.000 78.372 ( 0.000 0.000 0.000) 0.000 79.680 ( 0.000 0.000 0.000) 0.000 79.888 ( 0.000 0.000 0.000) 0.000 85.232 ( 0.000 0.000 0.000) 0.000 85.352 ( 0.000 0.000 0.000) 0.000 85.732 ( 0.000 0.000 0.000) 0.000 85.848 ( 0.000 0.000 0.000) 0.000 86.076 ( 0.000 0.000 0.000) 0.000 86.532 ( 0.000 0.000 0.000) 0.000 86.578 ( 0.000 0.000 0.000) 0.000 86.993 ( 0.000 0.000 0.000) 0.000 102.692 ( 0.000 0.000 0.000) 0.000 102.713 ( 0.000 0.000 0.000) 0.000 102.857 ( 0.000 0.000 0.000) 0.000 102.967 ( 0.000 0.000 0.000) 0.000 103.017 ( 0.000 0.000 0.000) 0.000 103.018 ( 0.000 0.000 0.000) 0.000 103.099 ( 0.000 0.000 0.000) 0.000 103.483 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 27.230 0.000 0.000) 27.230 0.547 ( 28.119 0.000 0.000) 28.119 0.752 ( 37.951 0.000 0.000) 37.951 1.825 ( 3.024 0.000 0.000) 3.024 1.962 ( -0.431 0.000 0.000) 0.431 2.169 ( -4.178 0.000 0.000) 4.178 2.298 ( -6.076 0.000 0.000) 6.076 2.417 ( -4.148 0.000 0.000) 4.148 2.479 ( -5.305 0.000 0.000) 5.305 2.517 ( -15.867 0.000 0.000) 15.867 2.786 ( -17.431 0.000 0.000) 17.431 2.908 ( -10.578 0.000 0.000) 10.578 3.262 ( 11.353 0.000 0.000) 11.353 3.451 ( 17.915 0.000 0.000) 17.915 3.495 ( 2.193 0.000 0.000) 2.193 3.828 ( -3.304 0.000 0.000) 3.304 4.012 ( 13.457 0.000 0.000) 13.457 4.187 ( -0.635 0.000 0.000) 0.635 4.188 ( -10.686 0.000 0.000) 10.686 4.260 ( -0.780 0.000 0.000) 0.780 4.293 ( -2.002 0.000 0.000) 2.002 4.386 ( -1.163 0.000 0.000) 1.163 4.418 ( -1.102 0.000 0.000) 1.102 4.511 ( -1.680 0.000 0.000) 1.680 4.813 ( 2.414 0.000 0.000) 2.414 4.836 ( 0.978 0.000 0.000) 0.978 4.876 ( -2.618 0.000 0.000) 2.618 4.943 ( -5.183 0.000 0.000) 5.183 4.970 ( 3.069 0.000 0.000) 3.069 5.132 ( 2.104 0.000 0.000) 2.104 5.303 ( -2.616 0.000 0.000) 2.616 5.363 ( -0.579 0.000 0.000) 0.579 5.528 ( -5.643 0.000 0.000) 5.643 5.551 ( 0.838 0.000 0.000) 0.838 5.705 ( 2.548 0.000 0.000) 2.548 5.757 ( 0.054 0.000 0.000) 0.054 5.784 ( -1.540 0.000 0.000) 1.540 5.930 ( 4.557 0.000 0.000) 4.557 5.986 ( 1.852 0.000 0.000) 1.852 6.095 ( 2.648 0.000 0.000) 2.648 6.311 ( -0.537 0.000 0.000) 0.537 6.454 ( 1.139 0.000 0.000) 1.139 6.591 ( -15.541 0.000 0.000) 15.541 7.027 ( -8.389 0.000 0.000) 8.389 7.067 ( 2.371 0.000 0.000) 2.371 7.434 ( 5.469 0.000 0.000) 5.469 7.582 ( -1.322 0.000 0.000) 1.322 7.612 ( 1.215 0.000 0.000) 1.215 7.679 ( 5.535 0.000 0.000) 5.535 7.720 ( -2.114 0.000 0.000) 2.114 7.744 ( -2.925 0.000 0.000) 2.925 7.922 ( 0.692 0.000 0.000) 0.692 7.946 ( -0.308 0.000 0.000) 0.308 8.122 ( 1.847 0.000 0.000) 1.847 8.884 ( 4.466 0.000 0.000) 4.466 9.298 ( 0.842 0.000 0.000) 0.842 9.429 ( -2.454 0.000 0.000) 2.454 9.666 ( -2.517 0.000 0.000) 2.517 9.927 ( 1.036 0.000 0.000) 1.036 10.278 ( -5.353 0.000 0.000) 5.353 10.307 ( -1.033 0.000 0.000) 1.033 10.365 ( -2.474 0.000 0.000) 2.474 10.878 ( 5.234 0.000 0.000) 5.234 10.915 ( 1.545 0.000 0.000) 1.545 11.030 ( -0.273 0.000 0.000) 0.273 11.222 ( 8.493 0.000 0.000) 8.493 11.335 ( -2.959 0.000 0.000) 2.959 11.374 ( 3.529 0.000 0.000) 3.529 11.772 ( 4.597 0.000 0.000) 4.597 12.162 ( -3.213 0.000 0.000) 3.213 12.353 ( 6.148 0.000 0.000) 6.148 13.197 ( -5.936 0.000 0.000) 5.936 19.703 ( 3.836 0.000 0.000) 3.836 19.769 ( 4.369 0.000 0.000) 4.369 20.422 ( -4.538 0.000 0.000) 4.538 20.536 ( -4.503 0.000 0.000) 4.503 21.518 ( 4.204 0.000 0.000) 4.204 21.597 ( 3.458 0.000 0.000) 3.458 21.746 ( 5.300 0.000 0.000) 5.300 21.938 ( 7.786 0.000 0.000) 7.786 22.134 ( -1.915 0.000 0.000) 1.915 22.203 ( -3.656 0.000 0.000) 3.656 22.750 ( -5.026 0.000 0.000) 5.026 23.195 ( -6.437 0.000 0.000) 6.437 23.376 ( 10.771 0.000 0.000) 10.771 24.459 ( 4.987 0.000 0.000) 4.987 24.959 ( -4.972 0.000 0.000) 4.972 25.812 ( 0.627 0.000 0.000) 0.627 25.878 ( 1.339 0.000 0.000) 1.339 25.990 ( -14.612 0.000 0.000) 14.612 26.378 ( -0.388 0.000 0.000) 0.388 26.931 ( -12.051 0.000 0.000) 12.051 27.009 ( 2.031 0.000 0.000) 2.031 27.106 ( 1.399 0.000 0.000) 1.399 27.690 ( -3.242 0.000 0.000) 3.242 27.978 ( 13.067 0.000 0.000) 13.067 28.073 ( -6.641 0.000 0.000) 6.641 28.206 ( 17.353 0.000 0.000) 17.353 29.410 ( 3.922 0.000 0.000) 3.922 29.930 ( -9.507 0.000 0.000) 9.507 30.204 ( -12.763 0.000 0.000) 12.763 30.603 ( 2.925 0.000 0.000) 2.925 30.706 ( -1.503 0.000 0.000) 1.503 30.712 ( -16.461 0.000 0.000) 16.461 31.040 ( 0.278 0.000 0.000) 0.278 31.429 ( -12.840 0.000 0.000) 12.840 31.489 ( 4.094 0.000 0.000) 4.094 31.804 ( 5.126 0.000 0.000) 5.126 32.135 ( 1.755 0.000 0.000) 1.755 32.487 ( -2.965 0.000 0.000) 2.965 32.947 ( -3.149 0.000 0.000) 3.149 33.141 ( -6.985 0.000 0.000) 6.985 34.584 ( 11.985 0.000 0.000) 11.985 34.651 ( 6.870 0.000 0.000) 6.870 35.055 ( 1.538 0.000 0.000) 1.538 35.085 ( 25.239 0.000 0.000) 25.239 35.344 ( 21.946 0.000 0.000) 21.946 35.590 ( -2.211 0.000 0.000) 2.211 35.826 ( 8.329 0.000 0.000) 8.329 36.094 ( 6.903 0.000 0.000) 6.903 37.310 ( -9.004 0.000 0.000) 9.004 37.410 ( -9.108 0.000 0.000) 9.108 37.864 ( -8.839 0.000 0.000) 8.839 37.993 ( -10.948 0.000 0.000) 10.948 46.642 ( 1.714 0.000 0.000) 1.714 46.815 ( 0.048 0.000 0.000) 0.048 46.830 ( -0.137 0.000 0.000) 0.137 46.965 ( -1.910 0.000 0.000) 1.910 48.041 ( 1.309 0.000 0.000) 1.309 48.192 ( 0.431 0.000 0.000) 0.431 48.257 ( -1.173 0.000 0.000) 1.173 48.286 ( -0.624 0.000 0.000) 0.624 49.693 ( 0.044 0.000 0.000) 0.044 49.791 ( -0.608 0.000 0.000) 0.608 49.821 ( 2.733 0.000 0.000) 2.733 50.207 ( -2.034 0.000 0.000) 2.034 72.680 ( 0.193 0.000 0.000) 0.193 72.706 ( -0.151 0.000 0.000) 0.151 72.724 ( 0.219 0.000 0.000) 0.219 72.725 ( 0.248 0.000 0.000) 0.248 75.352 ( 3.253 0.000 0.000) 3.253 75.651 ( -0.403 0.000 0.000) 0.403 76.139 ( 0.679 0.000 0.000) 0.679 76.371 ( 3.950 0.000 0.000) 3.950 76.560 ( -6.110 0.000 0.000) 6.110 77.218 ( -6.115 0.000 0.000) 6.115 77.250 ( 5.001 0.000 0.000) 5.001 77.634 ( -1.257 0.000 0.000) 1.257 77.935 ( 4.423 0.000 0.000) 4.423 78.369 ( -0.453 0.000 0.000) 0.453 79.986 ( 10.342 0.000 0.000) 10.342 83.357 ( -36.829 0.000 0.000) 36.829 85.135 ( -14.478 0.000 0.000) 14.478 85.145 ( -7.674 0.000 0.000) 7.674 85.943 ( 8.430 0.000 0.000) 8.430 85.965 ( 16.001 0.000 0.000) 16.001 86.216 ( 10.977 0.000 0.000) 10.977 86.523 ( -0.870 0.000 0.000) 0.870 86.710 ( 3.240 0.000 0.000) 3.240 86.997 ( 0.433 0.000 0.000) 0.433 102.705 ( 1.396 0.000 0.000) 1.396 102.728 ( 1.587 0.000 0.000) 1.587 102.874 ( 1.640 0.000 0.000) 1.640 102.952 ( -1.483 0.000 0.000) 1.483 102.996 ( -1.916 0.000 0.000) 1.916 103.018 ( -0.048 0.000 0.000) 0.048 103.136 ( 3.394 0.000 0.000) 3.394 103.841 ( -5.742 0.000 0.000) 5.742 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 24.562 0.000 0.000) 24.562 1.075 ( 26.548 0.000 0.000) 26.548 1.432 ( 31.776 0.000 0.000) 31.776 1.906 ( 5.187 0.000 0.000) 5.187 1.955 ( 0.144 0.000 0.000) 0.144 2.058 ( -7.716 0.000 0.000) 7.716 2.147 ( -8.552 0.000 0.000) 8.552 2.234 ( -12.475 0.000 0.000) 12.475 2.272 ( -11.674 0.000 0.000) 11.674 2.358 ( -6.203 0.000 0.000) 6.203 2.411 ( -19.032 0.000 0.000) 19.032 2.686 ( -12.419 0.000 0.000) 12.419 3.544 ( 6.027 0.000 0.000) 6.027 3.553 ( 14.751 0.000 0.000) 14.751 3.737 ( -0.829 0.000 0.000) 0.829 3.802 ( 12.119 0.000 0.000) 12.119 3.998 ( -7.078 0.000 0.000) 7.078 4.167 ( 0.324 0.000 0.000) 0.324 4.174 ( -0.686 0.000 0.000) 0.686 4.233 ( -4.144 0.000 0.000) 4.144 4.337 ( 8.372 0.000 0.000) 8.372 4.362 ( -1.090 0.000 0.000) 1.090 4.376 ( -3.295 0.000 0.000) 3.295 4.442 ( -3.806 0.000 0.000) 3.806 4.715 ( -12.037 0.000 0.000) 12.037 4.839 ( -0.328 0.000 0.000) 0.328 4.852 ( 1.101 0.000 0.000) 1.101 4.973 ( 7.546 0.000 0.000) 7.546 5.037 ( 4.067 0.000 0.000) 4.067 5.176 ( 1.888 0.000 0.000) 1.888 5.222 ( -4.592 0.000 0.000) 4.592 5.334 ( -2.937 0.000 0.000) 2.937 5.355 ( -11.540 0.000 0.000) 11.540 5.579 ( 2.169 0.000 0.000) 2.169 5.662 ( 0.188 0.000 0.000) 0.188 5.692 ( -8.560 0.000 0.000) 8.560 5.882 ( -1.233 0.000 0.000) 1.233 6.041 ( 10.290 0.000 0.000) 10.290 6.058 ( 8.062 0.000 0.000) 8.062 6.113 ( -5.452 0.000 0.000) 5.452 6.307 ( 0.039 0.000 0.000) 0.039 6.340 ( -5.072 0.000 0.000) 5.072 6.480 ( 1.669 0.000 0.000) 1.669 6.842 ( -10.253 0.000 0.000) 10.253 7.125 ( 3.492 0.000 0.000) 3.492 7.511 ( -6.715 0.000 0.000) 6.715 7.527 ( 3.846 0.000 0.000) 3.846 7.665 ( 4.319 0.000 0.000) 4.319 7.682 ( -1.842 0.000 0.000) 1.842 7.694 ( -1.716 0.000 0.000) 1.716 7.698 ( -1.685 0.000 0.000) 1.685 7.918 ( -2.613 0.000 0.000) 2.613 8.013 ( 6.703 0.000 0.000) 6.703 8.148 ( 0.777 0.000 0.000) 0.777 8.997 ( 6.791 0.000 0.000) 6.791 9.329 ( 2.563 0.000 0.000) 2.563 9.361 ( -4.594 0.000 0.000) 4.594 9.594 ( -4.782 0.000 0.000) 4.782 9.955 ( 1.819 0.000 0.000) 1.819 10.165 ( -5.779 0.000 0.000) 5.779 10.289 ( -0.703 0.000 0.000) 0.703 10.318 ( -2.087 0.000 0.000) 2.087 10.959 ( 2.830 0.000 0.000) 2.830 10.992 ( 6.146 0.000 0.000) 6.146 11.042 ( 0.869 0.000 0.000) 0.869 11.270 ( -3.597 0.000 0.000) 3.597 11.381 ( 7.207 0.000 0.000) 7.207 11.449 ( 3.746 0.000 0.000) 3.746 11.873 ( 5.459 0.000 0.000) 5.459 12.105 ( -2.848 0.000 0.000) 2.848 12.489 ( 7.898 0.000 0.000) 7.898 13.043 ( -9.555 0.000 0.000) 9.555 19.808 ( 6.940 0.000 0.000) 6.940 19.888 ( 7.760 0.000 0.000) 7.760 20.301 ( -7.716 0.000 0.000) 7.716 20.415 ( -7.847 0.000 0.000) 7.847 21.629 ( 7.050 0.000 0.000) 7.050 21.690 ( 6.053 0.000 0.000) 6.053 21.892 ( 9.169 0.000 0.000) 9.169 22.050 ( -2.113 0.000 0.000) 2.113 22.105 ( -6.279 0.000 0.000) 6.279 22.172 ( 11.828 0.000 0.000) 11.828 22.608 ( -9.630 0.000 0.000) 9.630 23.017 ( -11.802 0.000 0.000) 11.802 23.669 ( 19.201 0.000 0.000) 19.201 24.602 ( 9.917 0.000 0.000) 9.917 24.804 ( -11.428 0.000 0.000) 11.428 25.614 ( -22.704 0.000 0.000) 22.704 25.831 ( 1.314 0.000 0.000) 1.314 25.898 ( 0.407 0.000 0.000) 0.407 26.383 ( 1.042 0.000 0.000) 1.042 26.698 ( -11.061 0.000 0.000) 11.061 27.063 ( 3.371 0.000 0.000) 3.371 27.138 ( 1.614 0.000 0.000) 1.614 27.650 ( -0.899 0.000 0.000) 0.899 27.913 ( -9.179 0.000 0.000) 9.179 28.306 ( 21.043 0.000 0.000) 21.043 28.586 ( 20.818 0.000 0.000) 20.818 29.524 ( 7.947 0.000 0.000) 7.947 29.679 ( -15.805 0.000 0.000) 15.805 29.841 ( -24.142 0.000 0.000) 24.142 30.358 ( -19.234 0.000 0.000) 19.234 30.682 ( 5.137 0.000 0.000) 5.137 30.690 ( 0.425 0.000 0.000) 0.425 31.002 ( -3.779 0.000 0.000) 3.779 31.159 ( -14.288 0.000 0.000) 14.288 31.591 ( 6.095 0.000 0.000) 6.095 31.883 ( 0.925 0.000 0.000) 0.925 32.199 ( 7.125 0.000 0.000) 7.125 32.476 ( 2.513 0.000 0.000) 2.513 32.858 ( -5.993 0.000 0.000) 5.993 32.955 ( -11.909 0.000 0.000) 11.909 34.836 ( 10.592 0.000 0.000) 10.592 34.887 ( 17.467 0.000 0.000) 17.467 35.083 ( 0.983 0.000 0.000) 0.983 35.524 ( -4.751 0.000 0.000) 4.751 35.645 ( 30.497 0.000 0.000) 30.497 35.823 ( 25.259 0.000 0.000) 25.259 36.111 ( 22.396 0.000 0.000) 22.396 36.312 ( 16.284 0.000 0.000) 16.284 37.059 ( -16.826 0.000 0.000) 16.826 37.154 ( -17.237 0.000 0.000) 17.237 37.610 ( -17.423 0.000 0.000) 17.423 37.686 ( -20.604 0.000 0.000) 20.604 46.690 ( 3.141 0.000 0.000) 3.141 46.816 ( 0.095 0.000 0.000) 0.095 46.826 ( -0.213 0.000 0.000) 0.213 46.913 ( -3.386 0.000 0.000) 3.386 48.076 ( 2.281 0.000 0.000) 2.281 48.204 ( 0.825 0.000 0.000) 0.825 48.225 ( -2.122 0.000 0.000) 2.122 48.269 ( -1.069 0.000 0.000) 1.069 49.701 ( 0.767 0.000 0.000) 0.767 49.774 ( -1.135 0.000 0.000) 1.135 49.889 ( 4.210 0.000 0.000) 4.210 50.151 ( -3.677 0.000 0.000) 3.677 72.685 ( 0.303 0.000 0.000) 0.303 72.702 ( -0.231 0.000 0.000) 0.231 72.729 ( 0.294 0.000 0.000) 0.294 72.731 ( 0.283 0.000 0.000) 0.283 75.433 ( 4.841 0.000 0.000) 4.841 75.635 ( -1.308 0.000 0.000) 1.308 76.162 ( 1.778 0.000 0.000) 1.778 76.426 ( -7.133 0.000 0.000) 7.133 76.482 ( 7.487 0.000 0.000) 7.487 77.062 ( -9.758 0.000 0.000) 9.758 77.358 ( 5.674 0.000 0.000) 5.674 77.598 ( -2.460 0.000 0.000) 2.460 78.044 ( 6.480 0.000 0.000) 6.480 78.345 ( -2.213 0.000 0.000) 2.213 80.295 ( 22.039 0.000 0.000) 22.039 82.507 ( -48.043 0.000 0.000) 48.043 84.907 ( -8.492 0.000 0.000) 8.492 84.985 ( -8.150 0.000 0.000) 8.150 86.123 ( 9.403 0.000 0.000) 9.403 86.224 ( 9.823 0.000 0.000) 9.823 86.382 ( 5.429 0.000 0.000) 5.429 86.501 ( -1.329 0.000 0.000) 1.329 86.811 ( 6.707 0.000 0.000) 6.707 87.004 ( 0.077 0.000 0.000) 0.077 102.744 ( 2.506 0.000 0.000) 2.506 102.771 ( 2.760 0.000 0.000) 2.760 102.913 ( -2.490 0.000 0.000) 2.490 102.915 ( 2.391 0.000 0.000) 2.391 102.951 ( -2.696 0.000 0.000) 2.696 103.012 ( -0.574 0.000 0.000) 0.574 103.223 ( 5.697 0.000 0.000) 5.697 103.696 ( -8.869 0.000 0.000) 8.869 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 20.793 0.000 0.000) 20.793 1.561 ( 23.652 0.000 0.000) 23.652 1.830 ( -15.741 0.000 0.000) 15.741 1.906 ( 13.551 0.000 0.000) 13.551 1.975 ( -17.968 0.000 0.000) 17.968 2.003 ( 5.818 0.000 0.000) 5.818 2.010 ( 4.791 0.000 0.000) 4.791 2.039 ( -2.289 0.000 0.000) 2.289 2.063 ( -5.029 0.000 0.000) 5.029 2.107 ( -11.948 0.000 0.000) 11.948 2.270 ( -0.445 0.000 0.000) 0.445 2.437 ( -13.286 0.000 0.000) 13.286 3.604 ( 3.099 0.000 0.000) 3.099 3.668 ( -3.667 0.000 0.000) 3.667 3.909 ( 17.777 0.000 0.000) 17.777 3.968 ( 4.354 0.000 0.000) 4.354 4.021 ( 8.070 0.000 0.000) 8.070 4.114 ( -7.125 0.000 0.000) 7.125 4.142 ( -4.434 0.000 0.000) 4.434 4.142 ( -5.072 0.000 0.000) 5.072 4.277 ( -2.911 0.000 0.000) 2.911 4.303 ( -3.624 0.000 0.000) 3.624 4.353 ( 0.792 0.000 0.000) 0.792 4.463 ( -11.838 0.000 0.000) 11.838 4.597 ( 10.968 0.000 0.000) 10.968 4.773 ( -6.734 0.000 0.000) 6.734 4.934 ( 7.370 0.000 0.000) 7.370 5.122 ( -11.682 0.000 0.000) 11.682 5.128 ( 5.024 0.000 0.000) 5.024 5.171 ( -0.570 0.000 0.000) 0.570 5.183 ( 13.720 0.000 0.000) 13.720 5.194 ( 0.182 0.000 0.000) 0.182 5.250 ( -5.169 0.000 0.000) 5.169 5.464 ( -14.316 0.000 0.000) 14.316 5.645 ( 4.890 0.000 0.000) 4.890 5.727 ( 4.581 0.000 0.000) 4.581 5.776 ( -5.103 0.000 0.000) 5.103 5.911 ( -11.071 0.000 0.000) 11.071 6.209 ( 6.748 0.000 0.000) 6.748 6.269 ( 9.548 0.000 0.000) 9.548 6.294 ( -2.058 0.000 0.000) 2.058 6.353 ( 0.597 0.000 0.000) 0.597 6.530 ( 4.083 0.000 0.000) 4.083 6.654 ( -8.658 0.000 0.000) 8.658 7.205 ( 5.282 0.000 0.000) 5.282 7.345 ( -9.075 0.000 0.000) 9.075 7.591 ( 3.037 0.000 0.000) 3.037 7.644 ( -2.319 0.000 0.000) 2.319 7.674 ( -0.326 0.000 0.000) 0.326 7.677 ( -0.576 0.000 0.000) 0.576 7.760 ( 5.050 0.000 0.000) 5.050 7.850 ( -4.226 0.000 0.000) 4.226 8.115 ( 3.466 0.000 0.000) 3.466 8.151 ( -0.632 0.000 0.000) 0.632 9.131 ( 6.929 0.000 0.000) 6.929 9.257 ( -6.063 0.000 0.000) 6.063 9.397 ( 4.382 0.000 0.000) 4.382 9.493 ( -5.387 0.000 0.000) 5.387 9.999 ( 2.825 0.000 0.000) 2.825 10.067 ( -4.323 0.000 0.000) 4.323 10.282 ( 0.005 0.000 0.000) 0.005 10.290 ( -0.885 0.000 0.000) 0.885 11.014 ( 2.514 0.000 0.000) 2.514 11.046 ( -0.692 0.000 0.000) 0.692 11.104 ( 5.343 0.000 0.000) 5.343 11.196 ( -4.242 0.000 0.000) 4.242 11.482 ( 3.092 0.000 0.000) 3.092 11.499 ( 1.101 0.000 0.000) 1.101 11.971 ( 4.548 0.000 0.000) 4.548 12.047 ( -3.381 0.000 0.000) 3.381 12.656 ( 9.422 0.000 0.000) 9.422 12.848 ( -10.360 0.000 0.000) 10.360 19.962 ( 8.796 0.000 0.000) 8.796 20.057 ( 9.567 0.000 0.000) 9.567 20.137 ( -9.114 0.000 0.000) 9.114 20.244 ( -9.584 0.000 0.000) 9.584 21.777 ( 7.952 0.000 0.000) 7.952 21.823 ( 7.477 0.000 0.000) 7.477 21.920 ( -6.321 0.000 0.000) 6.321 21.970 ( -7.580 0.000 0.000) 7.580 22.141 ( 12.283 0.000 0.000) 12.283 22.390 ( -12.664 0.000 0.000) 12.664 22.452 ( 15.768 0.000 0.000) 15.768 22.754 ( -15.133 0.000 0.000) 15.133 24.086 ( 23.048 0.000 0.000) 23.048 24.507 ( -19.424 0.000 0.000) 19.424 24.841 ( 14.921 0.000 0.000) 14.921 25.183 ( -20.719 0.000 0.000) 20.719 25.861 ( 1.705 0.000 0.000) 1.705 25.890 ( -1.162 0.000 0.000) 1.162 26.424 ( 3.430 0.000 0.000) 3.430 26.523 ( -7.023 0.000 0.000) 7.023 27.126 ( 2.775 0.000 0.000) 2.775 27.155 ( -0.151 0.000 0.000) 0.151 27.661 ( 2.386 0.000 0.000) 2.386 27.751 ( -6.930 0.000 0.000) 6.930 28.775 ( 27.109 0.000 0.000) 27.109 28.980 ( 19.893 0.000 0.000) 19.893 29.321 ( -28.730 0.000 0.000) 28.730 29.347 ( -18.266 0.000 0.000) 18.266 29.719 ( 12.480 0.000 0.000) 12.480 30.004 ( -16.978 0.000 0.000) 16.978 30.744 ( 5.543 0.000 0.000) 5.543 30.792 ( 6.116 0.000 0.000) 6.116 30.907 ( -11.235 0.000 0.000) 11.235 30.908 ( -5.692 0.000 0.000) 5.692 31.713 ( 6.452 0.000 0.000) 6.452 31.830 ( -5.235 0.000 0.000) 5.235 32.417 ( 14.050 0.000 0.000) 14.050 32.575 ( 7.072 0.000 0.000) 7.072 32.698 ( -14.448 0.000 0.000) 14.448 32.723 ( -7.760 0.000 0.000) 7.760 35.004 ( 6.275 0.000 0.000) 6.275 35.078 ( -1.750 0.000 0.000) 1.750 35.193 ( 13.500 0.000 0.000) 13.500 35.401 ( -8.286 0.000 0.000) 8.286 36.200 ( 26.753 0.000 0.000) 26.753 36.297 ( 24.610 0.000 0.000) 24.610 36.645 ( 30.487 0.000 0.000) 30.487 36.676 ( -22.587 0.000 0.000) 22.587 36.718 ( 24.867 0.000 0.000) 24.867 36.762 ( -22.978 0.000 0.000) 22.978 37.205 ( -24.158 0.000 0.000) 24.158 37.216 ( -27.759 0.000 0.000) 27.759 46.759 ( 4.012 0.000 0.000) 4.012 46.819 ( 0.153 0.000 0.000) 0.153 46.822 ( -0.208 0.000 0.000) 0.208 46.839 ( -4.121 0.000 0.000) 4.121 48.125 ( 2.745 0.000 0.000) 2.745 48.178 ( -2.678 0.000 0.000) 2.678 48.223 ( 1.123 0.000 0.000) 1.123 48.246 ( -1.232 0.000 0.000) 1.232 49.721 ( 1.325 0.000 0.000) 1.325 49.749 ( -1.430 0.000 0.000) 1.430 49.977 ( 4.826 0.000 0.000) 4.826 50.070 ( -4.648 0.000 0.000) 4.648 72.691 ( 0.313 0.000 0.000) 0.313 72.697 ( -0.275 0.000 0.000) 0.275 72.734 ( 0.166 0.000 0.000) 0.166 72.735 ( 0.089 0.000 0.000) 0.089 75.525 ( 4.432 0.000 0.000) 4.432 75.596 ( -2.865 0.000 0.000) 2.865 76.212 ( 3.549 0.000 0.000) 3.549 76.301 ( -5.662 0.000 0.000) 5.662 76.653 ( 10.050 0.000 0.000) 10.050 76.858 ( -10.976 0.000 0.000) 10.976 77.459 ( 4.762 0.000 0.000) 4.762 77.540 ( -3.615 0.000 0.000) 3.615 78.171 ( 6.390 0.000 0.000) 6.390 78.279 ( -4.661 0.000 0.000) 4.661 80.838 ( 34.277 0.000 0.000) 34.277 81.601 ( -44.445 0.000 0.000) 44.445 84.816 ( -1.072 0.000 0.000) 1.072 84.855 ( -4.820 0.000 0.000) 4.820 86.277 ( 5.906 0.000 0.000) 5.906 86.328 ( 1.049 0.000 0.000) 1.049 86.445 ( 1.923 0.000 0.000) 1.923 86.475 ( -1.395 0.000 0.000) 1.395 86.929 ( 4.860 0.000 0.000) 4.860 86.991 ( -1.704 0.000 0.000) 1.704 102.798 ( 3.091 0.000 0.000) 3.091 102.830 ( 3.299 0.000 0.000) 3.299 102.859 ( -3.062 0.000 0.000) 3.062 102.894 ( -3.219 0.000 0.000) 3.219 102.960 ( 2.146 0.000 0.000) 2.146 102.994 ( -1.373 0.000 0.000) 1.373 103.354 ( 7.772 0.000 0.000) 7.772 103.518 ( -9.161 0.000 0.000) 9.161 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 0.000 24.919 0.000) 24.919 0.623 ( 0.000 26.986 0.000) 26.986 0.940 ( 0.000 37.576 0.000) 37.576 1.582 ( 0.000 -17.149 0.000) 17.149 1.798 ( 0.000 -11.945 0.000) 11.945 2.255 ( 0.000 3.318 0.000) 3.318 2.361 ( 0.000 -0.404 0.000) 0.404 2.465 ( 0.000 0.846 0.000) 0.846 2.471 ( 0.000 -8.330 0.000) 8.330 2.568 ( 0.000 -10.191 0.000) 10.191 2.956 ( 0.000 0.684 0.000) 0.684 3.027 ( 0.000 -2.089 0.000) 2.089 3.234 ( 0.000 6.637 0.000) 6.637 3.313 ( 0.000 7.490 0.000) 7.490 3.540 ( 0.000 1.253 0.000) 1.253 3.692 ( 0.000 -6.689 0.000) 6.689 3.823 ( 0.000 2.072 0.000) 2.072 3.941 ( 0.000 6.332 0.000) 6.332 4.194 ( 0.000 -6.431 0.000) 6.431 4.329 ( 0.000 -7.560 0.000) 7.560 4.339 ( 0.000 2.314 0.000) 2.314 4.438 ( 0.000 1.170 0.000) 1.170 4.537 ( 0.000 2.833 0.000) 2.833 4.770 ( 0.000 2.919 0.000) 2.919 4.824 ( 0.000 0.398 0.000) 0.398 4.846 ( 0.000 5.840 0.000) 5.840 4.859 ( 0.000 -6.108 0.000) 6.108 4.949 ( 0.000 3.058 0.000) 3.058 5.087 ( 0.000 -1.993 0.000) 1.993 5.157 ( 0.000 2.369 0.000) 2.369 5.296 ( 0.000 -12.600 0.000) 12.600 5.297 ( 0.000 -2.263 0.000) 2.263 5.420 ( 0.000 -0.688 0.000) 0.688 5.543 ( 0.000 -7.468 0.000) 7.468 5.555 ( 0.000 1.640 0.000) 1.640 5.682 ( 0.000 3.260 0.000) 3.260 5.790 ( 0.000 -2.572 0.000) 2.572 5.848 ( 0.000 -2.715 0.000) 2.715 5.986 ( 0.000 -2.932 0.000) 2.932 6.205 ( 0.000 -7.515 0.000) 7.515 6.301 ( 0.000 15.671 0.000) 15.671 6.554 ( 0.000 1.463 0.000) 1.463 6.901 ( 0.000 7.876 0.000) 7.876 7.032 ( 0.000 -0.838 0.000) 0.838 7.038 ( 0.000 -1.247 0.000) 1.247 7.114 ( 0.000 -1.459 0.000) 1.459 7.406 ( 0.000 3.431 0.000) 3.431 7.549 ( 0.000 -1.928 0.000) 1.928 7.628 ( 0.000 2.528 0.000) 2.528 7.703 ( 0.000 3.553 0.000) 3.553 7.742 ( 0.000 -0.220 0.000) 0.220 7.768 ( 0.000 -1.044 0.000) 1.044 8.100 ( 0.000 17.717 0.000) 17.717 8.753 ( 0.000 1.276 0.000) 1.276 8.848 ( 0.000 -1.848 0.000) 1.848 9.260 ( 0.000 -19.421 0.000) 19.421 9.400 ( 0.000 8.988 0.000) 8.988 9.647 ( 0.000 -0.455 0.000) 0.455 9.845 ( 0.000 -6.420 0.000) 6.420 10.002 ( 0.000 -14.739 0.000) 14.739 10.513 ( 0.000 3.447 0.000) 3.447 10.558 ( 0.000 -6.422 0.000) 6.422 11.044 ( 0.000 0.135 0.000) 0.135 11.071 ( 0.000 -1.288 0.000) 1.288 11.178 ( 0.000 3.752 0.000) 3.752 11.240 ( 0.000 12.886 0.000) 12.886 11.372 ( 0.000 2.658 0.000) 2.658 11.521 ( 0.000 -11.760 0.000) 11.760 12.230 ( 0.000 1.181 0.000) 1.181 12.276 ( 0.000 0.226 0.000) 0.226 12.284 ( 0.000 12.065 0.000) 12.065 12.672 ( 0.000 -4.301 0.000) 4.301 19.674 ( 0.000 0.747 0.000) 0.747 19.717 ( 0.000 -0.757 0.000) 0.757 20.483 ( 0.000 1.361 0.000) 1.361 20.563 ( 0.000 -1.447 0.000) 1.447 21.489 ( 0.000 1.106 0.000) 1.106 21.551 ( 0.000 -1.051 0.000) 1.051 21.726 ( 0.000 2.818 0.000) 2.818 21.969 ( 0.000 -6.399 0.000) 6.399 22.134 ( 0.000 0.494 0.000) 0.494 22.160 ( 0.000 -0.433 0.000) 0.433 22.855 ( 0.000 4.855 0.000) 4.855 23.175 ( 0.000 -6.624 0.000) 6.624 23.418 ( 0.000 11.712 0.000) 11.712 23.984 ( 0.000 -8.892 0.000) 8.892 25.147 ( 0.000 11.934 0.000) 11.934 25.890 ( 0.000 7.112 0.000) 7.112 25.906 ( 0.000 -16.794 0.000) 16.794 26.154 ( 0.000 1.827 0.000) 1.827 26.300 ( 0.000 -7.309 0.000) 7.309 26.306 ( 0.000 -4.080 0.000) 4.080 27.111 ( 0.000 9.674 0.000) 9.674 27.300 ( 0.000 15.242 0.000) 15.242 27.629 ( 0.000 -10.294 0.000) 10.294 27.862 ( 0.000 4.273 0.000) 4.273 28.000 ( 0.000 -11.651 0.000) 11.651 28.030 ( 0.000 -0.221 0.000) 0.221 29.524 ( 0.000 6.429 0.000) 6.429 30.043 ( 0.000 -14.676 0.000) 14.676 30.110 ( 0.000 6.547 0.000) 6.547 30.318 ( 0.000 -1.068 0.000) 1.068 30.829 ( 0.000 14.751 0.000) 14.751 30.916 ( 0.000 -0.963 0.000) 0.963 30.953 ( 0.000 -2.558 0.000) 2.558 31.365 ( 0.000 -7.140 0.000) 7.140 31.643 ( 0.000 4.817 0.000) 4.817 31.779 ( 0.000 1.747 0.000) 1.747 32.119 ( 0.000 2.118 0.000) 2.118 32.443 ( 0.000 -7.306 0.000) 7.306 33.001 ( 0.000 0.598 0.000) 0.598 33.052 ( 0.000 -1.221 0.000) 1.221 34.477 ( 0.000 0.579 0.000) 0.579 34.565 ( 0.000 -2.333 0.000) 2.333 34.852 ( 0.000 3.904 0.000) 3.904 35.062 ( 0.000 -3.457 0.000) 3.457 35.118 ( 0.000 6.805 0.000) 6.805 35.521 ( 0.000 -7.463 0.000) 7.463 35.803 ( 0.000 4.242 0.000) 4.242 35.999 ( 0.000 -2.726 0.000) 2.726 37.409 ( 0.000 1.057 0.000) 1.057 37.481 ( 0.000 -1.421 0.000) 1.421 37.909 ( 0.000 4.048 0.000) 4.048 38.079 ( 0.000 -2.063 0.000) 2.063 46.654 ( 0.000 2.454 0.000) 2.454 46.800 ( 0.000 -2.643 0.000) 2.643 46.828 ( 0.000 1.286 0.000) 1.286 46.945 ( 0.000 -2.969 0.000) 2.969 48.068 ( 0.000 4.688 0.000) 4.688 48.202 ( 0.000 1.118 0.000) 1.118 48.259 ( 0.000 -0.889 0.000) 0.889 48.299 ( 0.000 -3.624 0.000) 3.624 49.708 ( 0.000 1.174 0.000) 1.174 49.777 ( 0.000 -1.245 0.000) 1.245 49.848 ( 0.000 4.277 0.000) 4.277 50.079 ( 0.000 -3.839 0.000) 3.839 72.684 ( 0.000 0.455 0.000) 0.455 72.710 ( 0.000 0.193 0.000) 0.193 72.714 ( 0.000 -0.623 0.000) 0.623 72.720 ( 0.000 -0.188 0.000) 0.188 75.854 ( 0.000 15.979 0.000) 15.979 76.193 ( 0.000 6.403 0.000) 6.403 76.280 ( 0.000 -4.328 0.000) 4.328 76.660 ( 0.000 3.176 0.000) 3.176 76.938 ( 0.000 -8.966 0.000) 8.966 77.245 ( 0.000 -28.305 0.000) 28.305 77.420 ( 0.000 11.187 0.000) 11.187 77.827 ( 0.000 -5.435 0.000) 5.435 78.689 ( 0.000 21.729 0.000) 21.729 79.627 ( 0.000 0.736 0.000) 0.736 79.670 ( 0.000 -0.778 0.000) 0.778 79.691 ( 0.000 -16.520 0.000) 16.520 85.358 ( 0.000 10.175 0.000) 10.175 85.774 ( 0.000 3.646 0.000) 3.646 85.802 ( 0.000 -4.852 0.000) 4.852 86.011 ( 0.000 -5.021 0.000) 5.021 86.455 ( 0.000 2.779 0.000) 2.779 86.563 ( 0.000 -1.362 0.000) 1.362 86.592 ( 0.000 5.525 0.000) 5.525 86.928 ( 0.000 -5.597 0.000) 5.597 102.695 ( 0.000 0.266 0.000) 0.266 102.710 ( 0.000 -0.251 0.000) 0.251 102.974 ( 0.000 0.630 0.000) 0.630 103.010 ( 0.000 -0.630 0.000) 0.630 103.029 ( 0.000 0.968 0.000) 0.968 103.087 ( 0.000 -1.046 0.000) 1.046 103.485 ( 0.000 0.222 0.000) 0.222 103.498 ( 0.000 -0.220 0.000) 0.220 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 2.185 20.338 0.000) 20.455 0.774 ( 18.840 17.106 0.000) 25.447 1.324 ( 23.449 20.658 0.000) 31.251 1.627 ( 4.529 -15.633 0.000) 16.275 1.753 ( -2.205 -8.674 0.000) 8.950 2.216 ( -4.169 3.432 0.000) 5.399 2.304 ( -5.883 -0.019 0.000) 5.883 2.413 ( -4.524 -0.284 0.000) 4.533 2.447 ( -3.553 -2.738 0.000) 4.486 2.526 ( -4.138 -3.266 0.000) 5.272 2.760 ( -17.322 -1.261 0.000) 17.368 2.849 ( -11.870 -3.860 0.000) 12.482 3.383 ( 11.851 8.901 0.000) 14.821 3.447 ( 12.551 1.195 0.000) 12.607 3.605 ( 3.296 6.612 0.000) 7.388 3.769 ( 3.081 -10.056 0.000) 10.517 3.934 ( -0.091 4.826 0.000) 4.826 3.955 ( 11.445 -3.208 0.000) 11.886 4.186 ( -0.415 -5.937 0.000) 5.951 4.295 ( -3.681 -6.355 0.000) 7.344 4.322 ( -1.532 2.216 0.000) 2.694 4.450 ( 0.769 0.525 0.000) 0.931 4.490 ( -4.054 3.153 0.000) 5.136 4.619 ( -10.233 9.951 0.000) 14.273 4.805 ( 0.345 1.188 0.000) 1.237 4.864 ( -0.254 -5.305 0.000) 5.311 4.908 ( 2.527 3.878 0.000) 4.629 4.964 ( 2.160 3.103 0.000) 3.781 5.062 ( -10.548 5.558 0.000) 11.923 5.115 ( 2.434 -1.557 0.000) 2.889 5.241 ( -4.417 -5.990 0.000) 7.442 5.306 ( -2.270 -4.537 0.000) 5.073 5.417 ( 6.937 -5.981 0.000) 9.160 5.505 ( -4.665 -9.376 0.000) 10.472 5.538 ( -1.287 0.146 0.000) 1.296 5.742 ( 4.617 3.102 0.000) 5.563 5.760 ( -3.516 -4.392 0.000) 5.626 5.888 ( 3.067 -2.049 0.000) 3.689 6.016 ( 3.008 -2.051 0.000) 3.641 6.213 ( 0.562 -6.668 0.000) 6.692 6.286 ( -2.898 13.283 0.000) 13.595 6.501 ( -0.457 2.652 0.000) 2.692 6.733 ( -13.886 9.049 0.000) 16.574 7.004 ( -9.288 -2.406 0.000) 9.594 7.046 ( 2.386 -0.752 0.000) 2.501 7.255 ( 12.168 -12.644 0.000) 17.548 7.484 ( 5.492 3.436 0.000) 6.478 7.602 ( 0.486 0.747 0.000) 0.891 7.625 ( -0.476 1.428 0.000) 1.505 7.735 ( -0.381 0.302 0.000) 0.486 7.754 ( 7.954 1.352 0.000) 8.068 7.788 ( 2.557 -1.327 0.000) 2.881 8.084 ( -1.455 18.594 0.000) 18.651 8.698 ( -5.302 9.927 0.000) 11.254 8.881 ( 3.292 -1.061 0.000) 3.459 9.245 ( -1.514 -18.590 0.000) 18.652 9.403 ( 0.366 8.645 0.000) 8.653 9.628 ( -1.941 -0.366 0.000) 1.975 9.849 ( 0.356 -6.888 0.000) 6.897 9.978 ( -2.297 -14.030 0.000) 14.217 10.484 ( -2.623 3.885 0.000) 4.687 10.564 ( 0.657 -7.935 0.000) 7.963 10.690 ( -24.453 10.694 0.000) 26.689 10.941 ( -8.027 -4.786 0.000) 9.346 11.269 ( 6.838 4.216 0.000) 8.033 11.282 ( 3.880 12.785 0.000) 13.361 11.405 ( 3.186 2.420 0.000) 4.001 11.514 ( 0.339 -1.444 0.000) 1.483 12.032 ( -3.734 25.160 0.000) 25.435 12.196 ( -1.896 2.960 0.000) 3.515 12.339 ( 4.913 -1.450 0.000) 5.122 12.929 ( 5.281 -16.745 0.000) 17.559 19.714 ( 3.982 0.851 0.000) 4.072 19.759 ( 4.323 -0.790 0.000) 4.395 20.438 ( -4.515 1.381 0.000) 4.722 20.519 ( -4.490 -1.441 0.000) 4.715 21.530 ( 4.090 1.009 0.000) 4.213 21.586 ( 3.567 -0.958 0.000) 3.693 21.780 ( 5.580 3.029 0.000) 6.349 21.958 ( 3.438 -1.146 0.000) 3.624 22.129 ( -1.727 -0.193 0.000) 1.738 22.176 ( -0.735 -2.071 0.000) 2.197 22.806 ( -5.107 4.775 0.000) 6.992 23.117 ( -6.025 -6.327 0.000) 8.737 23.505 ( 9.527 10.988 0.000) 14.543 24.162 ( 12.232 -16.650 0.000) 20.661 25.089 ( -6.069 11.049 0.000) 12.606 25.786 ( -11.586 -14.183 0.000) 18.314 25.901 ( 0.273 6.063 0.000) 6.069 26.021 ( -2.805 8.893 0.000) 9.325 26.293 ( -0.385 -7.077 0.000) 7.087 26.561 ( 5.850 -18.079 0.000) 19.002 27.150 ( 2.925 9.876 0.000) 10.301 27.288 ( -0.956 13.726 0.000) 13.759 27.631 ( -0.362 -7.255 0.000) 7.264 27.940 ( -5.738 -10.968 0.000) 12.379 27.975 ( 11.749 1.873 0.000) 11.897 28.140 ( 13.358 -2.668 0.000) 13.622 29.543 ( 3.238 9.083 0.000) 9.643 30.013 ( -10.110 6.201 0.000) 11.860 30.191 ( 8.701 -20.807 0.000) 22.553 30.198 ( -12.636 -0.864 0.000) 12.666 30.724 ( -15.035 1.386 0.000) 15.099 30.888 ( 4.688 12.289 0.000) 13.153 30.937 ( -4.926 -7.004 0.000) 8.563 31.395 ( 3.413 -7.402 0.000) 8.151 31.547 ( -7.896 8.281 0.000) 11.443 31.813 ( 2.575 -0.506 0.000) 2.624 32.143 ( 2.004 1.789 0.000) 2.686 32.415 ( -1.644 -6.018 0.000) 6.238 32.958 ( -3.725 0.894 0.000) 3.831 33.046 ( -2.920 -3.776 0.000) 4.773 34.576 ( 10.882 -0.262 0.000) 10.885 34.630 ( 7.760 -1.725 0.000) 7.950 35.126 ( 24.735 3.399 0.000) 24.967 35.129 ( 0.920 6.317 0.000) 6.383 35.309 ( 22.451 -3.010 0.000) 22.652 35.507 ( -1.647 -7.007 0.000) 7.198 35.876 ( 8.041 4.087 0.000) 9.020 36.064 ( 7.088 -2.597 0.000) 7.549 37.322 ( -8.975 1.061 0.000) 9.037 37.393 ( -9.081 -1.395 0.000) 9.187 37.849 ( -7.318 1.714 0.000) 7.516 37.978 ( -10.494 -1.682 0.000) 10.628 46.669 ( 1.467 2.248 0.000) 2.684 46.801 ( 0.160 -2.401 0.000) 2.406 46.827 ( -0.081 1.189 0.000) 1.191 46.934 ( -1.278 -2.579 0.000) 2.878 48.081 ( 1.162 3.895 0.000) 4.065 48.203 ( 0.170 0.907 0.000) 0.922 48.249 ( -0.959 -0.713 0.000) 1.195 48.278 ( -1.512 -2.299 0.000) 2.752 49.711 ( 0.432 1.537 0.000) 1.597 49.801 ( 2.333 -1.614 0.000) 2.837 49.841 ( -0.680 4.266 0.000) 4.320 50.099 ( 0.526 -5.994 0.000) 6.017 72.686 ( 0.203 0.462 0.000) 0.505 72.708 ( -0.107 0.229 0.000) 0.253 72.716 ( 0.219 -0.623 0.000) 0.661 72.722 ( 0.138 -0.247 0.000) 0.283 75.857 ( 0.263 16.444 0.000) 16.446 76.196 ( 0.462 5.506 0.000) 5.526 76.320 ( 3.912 -3.592 0.000) 5.310 76.555 ( -15.044 9.636 0.000) 17.865 76.760 ( -27.169 20.010 0.000) 33.743 77.056 ( -19.282 14.729 0.000) 24.264 77.256 ( 1.087 -27.282 0.000) 27.304 77.630 ( -11.545 6.517 0.000) 13.257 78.203 ( -7.799 43.452 0.000) 44.146 78.677 ( -1.319 21.783 0.000) 21.823 79.753 ( 6.506 -19.130 0.000) 20.206 81.219 ( 25.979 -93.335 0.000) 96.883 85.311 ( -3.963 13.130 0.000) 13.715 85.872 ( 6.397 -6.727 0.000) 9.284 85.958 ( 9.894 8.433 0.000) 13.000 86.089 ( -11.956 13.264 0.000) 17.857 86.204 ( 5.685 4.258 0.000) 7.103 86.589 ( -0.308 5.866 0.000) 5.874 86.622 ( 2.834 -6.130 0.000) 6.754 86.931 ( 0.297 -5.695 0.000) 5.703 102.709 ( 1.422 0.284 0.000) 1.450 102.724 ( 1.524 -0.272 0.000) 1.548 102.958 ( -1.544 0.551 0.000) 1.640 102.989 ( -1.847 -0.552 0.000) 1.928 103.035 ( 0.441 1.411 0.000) 1.478 103.118 ( 2.875 -1.506 0.000) 3.246 103.175 ( -10.679 14.836 0.000) 18.280 103.660 ( 0.071 -10.550 0.000) 10.551 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 23.848 -5.189 0.000) 24.406 1.184 ( 22.214 9.033 0.000) 23.981 1.546 ( 1.502 -21.866 0.000) 21.918 1.736 ( 5.567 -12.158 0.000) 13.372 1.924 ( 18.116 22.875 0.000) 29.179 2.064 ( -12.334 0.315 0.000) 12.338 2.153 ( -9.031 -1.447 0.000) 9.147 2.276 ( -10.219 1.525 0.000) 10.332 2.336 ( -6.773 -1.771 0.000) 7.000 2.431 ( -13.378 3.000 0.000) 13.710 2.440 ( -4.600 7.211 0.000) 8.553 2.651 ( -8.797 -2.961 0.000) 9.282 3.628 ( 10.614 5.837 0.000) 12.113 3.652 ( 4.533 7.379 0.000) 8.660 3.705 ( 9.122 -3.461 0.000) 9.756 3.769 ( 1.724 -3.668 0.000) 4.053 3.945 ( 1.135 1.587 0.000) 1.951 4.117 ( 3.436 -3.313 0.000) 4.773 4.191 ( -1.322 -3.608 0.000) 3.843 4.224 ( -2.471 -4.549 0.000) 5.177 4.334 ( 4.130 -0.016 0.000) 4.131 4.393 ( -2.898 -2.039 0.000) 3.543 4.448 ( -8.353 10.496 0.000) 13.414 4.469 ( 0.220 7.091 0.000) 7.094 4.746 ( -8.536 2.370 0.000) 8.859 4.866 ( 1.063 -2.824 0.000) 3.018 4.870 ( -6.903 1.136 0.000) 6.996 4.973 ( 4.960 -1.144 0.000) 5.090 5.016 ( 3.204 1.430 0.000) 3.509 5.137 ( -6.024 -4.322 0.000) 7.414 5.164 ( 2.310 -1.089 0.000) 2.554 5.258 ( -3.199 -5.499 0.000) 6.362 5.382 ( -4.879 1.317 0.000) 5.054 5.520 ( -0.588 -2.853 0.000) 2.913 5.582 ( 6.437 -6.956 0.000) 9.478 5.649 ( -7.538 -4.926 0.000) 9.005 5.808 ( 0.589 1.064 0.000) 1.216 5.986 ( 8.653 -3.999 0.000) 9.533 6.068 ( 0.269 -0.816 0.000) 0.860 6.218 ( 0.321 -6.139 0.000) 6.147 6.244 ( -0.139 9.517 0.000) 9.518 6.480 ( -10.358 9.436 0.000) 14.011 6.509 ( 0.306 0.590 0.000) 0.664 6.805 ( -10.700 -3.577 0.000) 11.282 7.108 ( 3.972 0.374 0.000) 3.989 7.408 ( 4.736 -11.874 0.000) 12.784 7.498 ( -5.359 0.904 0.000) 5.434 7.567 ( -2.455 -2.170 0.000) 3.276 7.665 ( 4.919 7.349 0.000) 8.844 7.740 ( 0.926 2.527 0.000) 2.692 7.866 ( 4.912 -1.829 0.000) 5.242 7.949 ( 10.087 -1.343 0.000) 10.176 8.059 ( -0.561 20.949 0.000) 20.957 8.561 ( -8.630 18.566 0.000) 20.474 8.963 ( 4.764 -3.107 0.000) 5.688 9.201 ( -2.978 -16.120 0.000) 16.393 9.419 ( 1.362 7.506 0.000) 7.628 9.576 ( -3.294 0.392 0.000) 3.317 9.853 ( -0.017 -8.199 0.000) 8.199 9.925 ( -2.903 -12.713 0.000) 13.040 10.400 ( -6.791 6.338 0.000) 9.289 10.429 ( -2.766 4.299 0.000) 5.112 10.585 ( 1.504 -11.261 0.000) 11.361 10.798 ( -6.664 -11.616 0.000) 13.392 11.368 ( 4.517 12.096 0.000) 12.912 11.384 ( 4.769 4.316 0.000) 6.432 11.477 ( 3.831 2.259 0.000) 4.447 11.538 ( 1.697 3.700 0.000) 4.070 12.052 ( 3.013 18.497 0.000) 18.741 12.166 ( -1.304 5.521 0.000) 5.673 12.451 ( 6.658 -3.524 0.000) 7.533 12.898 ( -5.983 -12.187 0.000) 13.577 19.821 ( 7.050 1.081 0.000) 7.133 19.877 ( 7.655 -0.917 0.000) 7.710 20.318 ( -7.707 1.405 0.000) 7.834 20.398 ( -7.801 -1.403 0.000) 7.926 21.638 ( 6.888 0.778 0.000) 6.932 21.682 ( 6.186 -0.744 0.000) 6.231 21.929 ( 8.753 3.030 0.000) 9.262 22.040 ( -0.920 -0.975 0.000) 1.340 22.088 ( -2.659 -0.285 0.000) 2.674 22.175 ( 7.019 -1.303 0.000) 7.139 22.661 ( -9.749 4.581 0.000) 10.772 22.949 ( -11.175 -5.579 0.000) 12.491 23.775 ( 18.038 9.200 0.000) 20.249 24.403 ( 13.449 -14.763 0.000) 19.970 24.908 ( -12.966 8.843 0.000) 15.695 25.469 ( -20.203 -11.480 0.000) 23.237 25.914 ( 1.046 6.778 0.000) 6.858 25.999 ( -0.722 8.235 0.000) 8.267 26.296 ( 0.923 -7.042 0.000) 7.102 26.528 ( -5.737 -12.306 0.000) 13.578 27.199 ( 2.398 10.024 0.000) 10.306 27.274 ( -0.369 10.710 0.000) 10.717 27.613 ( -0.847 -4.335 0.000) 4.417 27.806 ( -7.431 -8.904 0.000) 11.598 28.305 ( 21.671 0.837 0.000) 21.687 28.497 ( 21.675 -5.842 0.000) 22.448 29.649 ( 7.557 9.949 0.000) 12.494 29.734 ( -18.105 4.035 0.000) 18.549 29.840 ( -23.705 -0.310 0.000) 23.707 30.314 ( 5.175 -17.889 0.000) 18.623 30.400 ( -17.484 4.006 0.000) 17.937 30.786 ( -9.818 -11.608 0.000) 15.203 30.980 ( 4.952 12.731 0.000) 13.660 31.384 ( -8.597 12.456 0.000) 15.135 31.492 ( 6.214 -8.036 0.000) 10.158 31.830 ( -1.958 -5.190 0.000) 5.547 32.226 ( 7.930 2.783 0.000) 8.404 32.431 ( 3.853 -3.840 0.000) 5.440 32.859 ( -6.572 0.299 0.000) 6.579 32.921 ( -9.502 -2.210 0.000) 9.755 34.825 ( 12.162 -0.504 0.000) 12.172 34.868 ( 16.020 -1.583 0.000) 16.098 35.141 ( 0.042 5.030 0.000) 5.031 35.453 ( -4.106 -5.914 0.000) 7.200 35.675 ( 29.923 2.523 0.000) 30.029 35.804 ( 26.409 -1.814 0.000) 26.472 36.146 ( 20.948 2.944 0.000) 21.153 36.290 ( 16.879 -1.989 0.000) 16.996 37.071 ( -16.773 1.092 0.000) 16.808 37.138 ( -17.068 -1.271 0.000) 17.115 37.612 ( -17.139 0.825 0.000) 17.159 37.680 ( -20.115 -0.783 0.000) 20.130 46.709 ( 2.667 1.652 0.000) 3.137 46.806 ( 0.303 -1.737 0.000) 1.763 46.824 ( -0.247 0.801 0.000) 0.838 46.895 ( -2.663 -1.519 0.000) 3.066 48.108 ( 1.690 2.835 0.000) 3.301 48.208 ( 0.207 0.306 0.000) 0.370 48.224 ( -1.520 -0.166 0.000) 1.529 48.253 ( -1.099 -1.761 0.000) 2.076 49.727 ( 1.244 2.271 0.000) 2.589 49.822 ( -1.315 4.106 0.000) 4.311 49.861 ( 3.674 -2.388 0.000) 4.382 50.079 ( -2.405 -5.450 0.000) 5.957 72.691 ( 0.310 0.475 0.000) 0.567 72.706 ( -0.169 0.320 0.000) 0.362 72.721 ( 0.297 -0.621 0.000) 0.688 72.725 ( 0.196 -0.409 0.000) 0.453 75.864 ( 0.402 18.037 0.000) 18.041 76.098 ( -16.771 39.608 0.000) 43.012 76.216 ( 1.731 4.814 0.000) 5.115 76.425 ( 6.868 -3.440 0.000) 7.681 76.493 ( -8.107 6.847 0.000) 10.612 76.891 ( -6.690 -5.497 0.000) 8.659 77.286 ( 2.012 -24.029 0.000) 24.113 77.490 ( -5.439 -0.933 0.000) 5.519 78.270 ( 7.617 28.045 0.000) 29.061 78.634 ( -3.232 22.215 0.000) 22.449 79.945 ( 13.512 -27.518 0.000) 30.657 81.167 ( -19.448 -84.125 0.000) 86.344 85.242 ( -2.494 19.601 0.000) 19.759 85.641 ( -19.046 36.871 0.000) 41.500 86.015 ( 7.845 -9.505 0.000) 12.324 86.235 ( 7.370 0.413 0.000) 7.382 86.381 ( 7.233 0.554 0.000) 7.254 86.581 ( -0.611 6.516 0.000) 6.545 86.717 ( 7.067 -8.065 0.000) 10.723 86.934 ( -0.164 -5.962 0.000) 5.964 102.748 ( 2.539 0.332 0.000) 2.560 102.766 ( 2.713 -0.344 0.000) 2.735 102.918 ( -2.523 0.475 0.000) 2.567 102.945 ( -2.675 -0.484 0.000) 2.718 103.043 ( 0.358 2.557 0.000) 2.582 103.067 ( -2.221 11.290 0.000) 11.506 103.192 ( 4.770 -2.673 0.000) 5.468 103.580 ( -6.754 -9.107 0.000) 11.338 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 23.379 -9.780 0.000) 25.342 1.553 ( 6.826 -1.951 0.000) 7.099 1.613 ( 6.732 -19.232 0.000) 20.377 1.693 ( -6.575 -6.016 0.000) 8.912 1.853 ( -7.250 -5.241 0.000) 8.946 2.008 ( -14.713 2.827 0.000) 14.982 2.041 ( 2.528 -4.185 0.000) 4.889 2.154 ( -4.537 3.472 0.000) 5.713 2.273 ( 4.682 10.115 0.000) 11.146 2.297 ( -1.804 10.501 0.000) 10.655 2.374 ( 0.581 10.479 0.000) 10.495 2.498 ( -7.703 3.652 0.000) 8.525 3.669 ( 1.129 4.853 0.000) 4.982 3.696 ( -1.864 2.040 0.000) 2.763 3.885 ( 11.328 -2.644 0.000) 11.632 3.938 ( 8.388 -3.569 0.000) 9.116 3.988 ( 1.788 -1.028 0.000) 2.063 4.089 ( -6.697 -1.236 0.000) 6.810 4.189 ( 3.418 1.978 0.000) 3.949 4.200 ( -0.516 -6.423 0.000) 6.444 4.253 ( -5.828 1.233 0.000) 5.957 4.286 ( -7.365 10.935 0.000) 13.184 4.470 ( 1.603 8.426 0.000) 8.577 4.550 ( 10.296 -3.500 0.000) 10.875 4.562 ( -8.162 6.756 0.000) 10.595 4.734 ( -8.420 -3.340 0.000) 9.058 4.915 ( 4.009 -3.768 0.000) 5.502 5.010 ( -5.318 -6.974 0.000) 8.770 5.096 ( 4.956 -1.186 0.000) 5.096 5.117 ( 6.886 -3.433 0.000) 7.694 5.189 ( -0.038 -1.027 0.000) 1.028 5.193 ( -3.688 -4.082 0.000) 5.501 5.317 ( -0.340 7.312 0.000) 7.320 5.430 ( -9.518 -1.162 0.000) 9.589 5.582 ( 2.312 -5.053 0.000) 5.557 5.642 ( -1.600 -7.223 0.000) 7.398 5.824 ( 4.525 5.814 0.000) 7.367 5.968 ( -8.610 4.471 0.000) 9.702 6.175 ( 8.415 -7.256 0.000) 11.112 6.245 ( 0.813 -7.373 0.000) 7.418 6.282 ( 3.453 5.457 0.000) 6.457 6.355 ( -4.028 5.097 0.000) 6.497 6.519 ( 1.615 -2.051 0.000) 2.610 6.614 ( -8.342 -3.639 0.000) 9.101 7.204 ( 6.216 1.787 0.000) 6.467 7.350 ( -8.520 1.740 0.000) 8.696 7.476 ( 2.809 -8.137 0.000) 8.609 7.524 ( -2.282 -4.994 0.000) 5.490 7.744 ( 2.591 7.994 0.000) 8.404 7.760 ( 0.611 5.887 0.000) 5.918 7.954 ( 3.889 0.447 0.000) 3.915 8.010 ( -1.855 3.194 0.000) 3.694 8.174 ( 10.395 16.441 0.000) 19.451 8.376 ( -10.346 18.679 0.000) 21.353 9.053 ( 4.517 -7.286 0.000) 8.573 9.134 ( -3.895 -12.133 0.000) 12.743 9.455 ( 2.407 5.192 0.000) 5.723 9.511 ( -3.275 2.381 0.000) 4.049 9.854 ( 0.405 -10.052 0.000) 10.060 9.876 ( -1.947 -11.502 0.000) 11.666 10.354 ( 0.451 3.716 0.000) 3.743 10.382 ( -2.098 4.059 0.000) 4.569 10.624 ( 2.633 -14.465 0.000) 14.703 10.691 ( -4.445 -15.194 0.000) 15.831 11.436 ( 2.213 9.838 0.000) 10.084 11.445 ( 1.393 6.515 0.000) 6.662 11.539 ( 2.299 3.060 0.000) 3.827 11.560 ( 0.197 4.236 0.000) 4.241 12.106 ( 2.336 13.312 0.000) 13.515 12.141 ( -1.435 8.900 0.000) 9.015 12.593 ( 7.987 -5.744 0.000) 9.838 12.753 ( -8.367 -8.478 0.000) 11.912 19.977 ( 8.876 1.264 0.000) 8.966 20.044 ( 9.442 -1.115 0.000) 9.507 20.153 ( -9.149 1.376 0.000) 9.252 20.229 ( -9.490 -1.296 0.000) 9.578 21.783 ( 7.836 0.546 0.000) 7.855 21.815 ( 7.473 -0.597 0.000) 7.497 21.926 ( -6.511 0.480 0.000) 6.529 21.958 ( -6.942 -0.838 0.000) 6.993 22.189 ( 12.513 4.036 0.000) 13.148 22.413 ( 14.685 -3.481 0.000) 15.092 22.440 ( -12.798 4.344 0.000) 13.515 22.699 ( -14.411 -4.635 0.000) 15.138 24.172 ( 22.256 7.544 0.000) 23.500 24.589 ( -19.919 7.113 0.000) 21.151 24.696 ( 17.108 -11.438 0.000) 20.580 25.062 ( -20.807 -9.746 0.000) 22.976 25.941 ( 1.757 6.755 0.000) 6.980 25.976 ( -1.672 7.234 0.000) 7.425 26.333 ( 2.981 -7.377 0.000) 7.956 26.414 ( -5.374 -8.678 0.000) 10.207 27.243 ( 1.929 8.949 0.000) 9.154 27.267 ( -0.625 8.800 0.000) 8.822 27.616 ( 1.491 -4.359 0.000) 4.607 27.680 ( -5.156 -6.166 0.000) 8.038 28.782 ( 27.190 1.022 0.000) 27.209 28.928 ( 22.533 -3.949 0.000) 22.877 29.319 ( -27.216 0.447 0.000) 27.219 29.357 ( -22.545 0.081 0.000) 22.545 29.829 ( 11.186 9.049 0.000) 14.388 30.082 ( -15.078 6.848 0.000) 16.561 30.426 ( 6.957 -15.437 0.000) 16.932 30.590 ( -9.889 -13.879 0.000) 17.042 31.088 ( 6.426 13.780 0.000) 15.205 31.226 ( -7.777 13.918 0.000) 15.943 31.620 ( 6.805 -7.930 0.000) 10.449 31.745 ( -5.986 -7.280 0.000) 9.425 32.438 ( 13.020 1.875 0.000) 13.154 32.553 ( 8.128 -1.936 0.000) 8.356 32.691 ( -12.162 -0.082 0.000) 12.162 32.721 ( -9.272 -0.487 0.000) 9.285 35.019 ( 7.562 1.474 0.000) 7.705 35.117 ( -2.874 3.361 0.000) 4.422 35.153 ( 12.524 -3.241 0.000) 12.937 35.343 ( -7.508 -4.673 0.000) 8.843 36.220 ( 26.304 1.607 0.000) 26.353 36.290 ( 24.615 -0.708 0.000) 24.626 36.657 ( 29.741 1.013 0.000) 29.758 36.690 ( -22.448 1.187 0.000) 22.479 36.710 ( 25.632 -0.727 0.000) 25.642 36.751 ( -22.680 -0.944 0.000) 22.699 37.204 ( -24.819 0.238 0.000) 24.820 37.220 ( -26.979 0.095 0.000) 26.979 46.768 ( 3.326 0.725 0.000) 3.404 46.813 ( 0.430 -0.811 0.000) 0.918 46.817 ( -0.660 0.051 0.000) 0.662 46.837 ( -3.104 -0.319 0.000) 3.120 48.145 ( 2.039 1.687 0.000) 2.647 48.185 ( -2.034 0.604 0.000) 2.121 48.220 ( 0.595 -0.405 0.000) 0.720 48.234 ( -0.861 -1.191 0.000) 1.469 49.757 ( 1.765 3.037 0.000) 3.513 49.792 ( -1.763 3.687 0.000) 4.087 49.938 ( 4.206 -3.300 0.000) 5.346 50.017 ( -3.867 -4.316 0.000) 5.795 72.697 ( 0.298 0.466 0.000) 0.553 72.702 ( -0.229 0.413 0.000) 0.472 72.726 ( 0.184 -0.601 0.000) 0.629 72.728 ( 0.041 -0.538 0.000) 0.539 75.875 ( 0.972 21.504 0.000) 21.526 75.918 ( -4.314 28.421 0.000) 28.747 76.266 ( 3.614 4.669 0.000) 5.905 76.358 ( -5.907 4.994 0.000) 7.735 76.576 ( 8.619 -4.295 0.000) 9.630 76.744 ( -8.459 -5.626 0.000) 10.159 77.333 ( 2.897 -18.266 0.000) 18.494 77.399 ( -4.029 -10.161 0.000) 10.931 78.422 ( 7.560 25.192 0.000) 26.302 78.549 ( -5.567 23.372 0.000) 24.026 80.272 ( 20.361 -42.376 0.000) 47.013 80.714 ( -24.767 -62.665 0.000) 67.382 85.238 ( 2.572 27.288 0.000) 27.409 85.358 ( -10.269 34.325 0.000) 35.828 86.158 ( 6.608 -9.939 0.000) 11.935 86.257 ( -3.217 -6.527 0.000) 7.276 86.502 ( 4.804 4.741 0.000) 6.749 86.561 ( -1.697 6.461 0.000) 6.680 86.846 ( 5.388 -7.056 0.000) 8.878 86.916 ( -2.036 -6.373 0.000) 6.690 102.803 ( 3.119 0.386 0.000) 3.143 102.825 ( 3.279 -0.411 0.000) 3.304 102.864 ( -3.087 0.431 0.000) 3.116 102.888 ( -3.210 -0.451 0.000) 3.242 103.047 ( 0.110 4.456 0.000) 4.457 103.049 ( -0.217 7.276 0.000) 7.279 103.300 ( 6.463 -4.485 0.000) 7.867 103.437 ( -7.567 -6.774 0.000) 10.156 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.000 -23.569 0.000) 23.569 1.110 ( 0.000 23.569 0.000) 23.569 1.170 ( 0.000 -19.002 0.000) 19.002 1.170 ( 0.000 19.002 0.000) 19.002 1.964 ( 0.000 -28.432 0.000) 28.432 1.964 ( 0.000 28.432 0.000) 28.432 2.328 ( 0.000 -2.608 0.000) 2.608 2.328 ( 0.000 2.608 0.000) 2.608 2.492 ( 0.000 -1.510 0.000) 1.510 2.492 ( 0.000 1.510 0.000) 1.510 2.984 ( 0.000 -1.675 0.000) 1.675 2.984 ( 0.000 1.675 0.000) 1.675 3.419 ( 0.000 -8.939 0.000) 8.939 3.419 ( 0.000 8.939 0.000) 8.939 3.508 ( 0.000 -9.073 0.000) 9.073 3.508 ( 0.000 9.073 0.000) 9.073 3.999 ( 0.000 -10.255 0.000) 10.255 3.999 ( 0.000 10.255 0.000) 10.255 4.128 ( 0.000 -9.521 0.000) 9.521 4.128 ( 0.000 9.521 0.000) 9.521 4.403 ( 0.000 -2.971 0.000) 2.971 4.403 ( 0.000 2.971 0.000) 2.971 4.684 ( 0.000 -8.504 0.000) 8.504 4.684 ( 0.000 8.504 0.000) 8.504 4.820 ( 0.000 -1.148 0.000) 1.148 4.820 ( 0.000 1.148 0.000) 1.148 5.025 ( 0.000 -9.993 0.000) 9.993 5.025 ( 0.000 9.993 0.000) 9.993 5.027 ( 0.000 -3.346 0.000) 3.346 5.027 ( 0.000 3.346 0.000) 3.346 5.231 ( 0.000 -3.300 0.000) 3.300 5.231 ( 0.000 3.300 0.000) 3.300 5.433 ( 0.000 -2.444 0.000) 2.444 5.433 ( 0.000 2.444 0.000) 2.444 5.648 ( 0.000 -6.753 0.000) 6.753 5.648 ( 0.000 6.753 0.000) 6.753 5.771 ( 0.000 -3.926 0.000) 3.926 5.771 ( 0.000 3.926 0.000) 3.926 6.045 ( 0.000 -6.085 0.000) 6.085 6.045 ( 0.000 6.085 0.000) 6.085 6.534 ( 0.000 -4.799 0.000) 4.799 6.534 ( 0.000 4.799 0.000) 4.799 7.018 ( 0.000 -0.061 0.000) 0.061 7.018 ( 0.000 0.061 0.000) 0.061 7.047 ( 0.000 -4.696 0.000) 4.696 7.047 ( 0.000 4.696 0.000) 4.696 7.488 ( 0.000 -3.404 0.000) 3.404 7.488 ( 0.000 3.404 0.000) 3.404 7.698 ( 0.000 -2.788 0.000) 2.788 7.698 ( 0.000 2.788 0.000) 2.788 7.746 ( 0.000 -0.690 0.000) 0.690 7.746 ( 0.000 0.690 0.000) 0.690 8.669 ( 0.000 -29.293 0.000) 29.293 8.669 ( 0.000 29.293 0.000) 29.293 8.796 ( 0.000 -2.403 0.000) 2.403 8.796 ( 0.000 2.403 0.000) 2.403 9.641 ( 0.000 -11.064 0.000) 11.064 9.641 ( 0.000 11.064 0.000) 11.064 9.733 ( 0.000 -8.228 0.000) 8.228 9.733 ( 0.000 8.228 0.000) 8.228 10.522 ( 0.000 -0.964 0.000) 0.964 10.522 ( 0.000 0.964 0.000) 0.964 11.051 ( 0.000 -0.549 0.000) 0.549 11.051 ( 0.000 0.549 0.000) 0.549 11.299 ( 0.000 -7.485 0.000) 7.485 11.299 ( 0.000 7.485 0.000) 7.485 11.400 ( 0.000 -1.717 0.000) 1.717 11.400 ( 0.000 1.717 0.000) 1.717 12.263 ( 0.000 -1.402 0.000) 1.402 12.263 ( 0.000 1.402 0.000) 1.402 12.525 ( 0.000 -8.840 0.000) 8.840 12.525 ( 0.000 8.840 0.000) 8.840 19.695 ( 0.000 -1.066 0.000) 1.066 19.695 ( 0.000 1.066 0.000) 1.066 20.523 ( 0.000 -1.978 0.000) 1.978 20.523 ( 0.000 1.978 0.000) 1.978 21.520 ( 0.000 -1.511 0.000) 1.511 21.520 ( 0.000 1.511 0.000) 1.511 21.823 ( 0.000 -5.780 0.000) 5.780 21.823 ( 0.000 5.780 0.000) 5.780 22.147 ( 0.000 -0.636 0.000) 0.636 22.147 ( 0.000 0.636 0.000) 0.636 23.003 ( 0.000 -7.837 0.000) 7.837 23.003 ( 0.000 7.837 0.000) 7.837 23.720 ( 0.000 -13.751 0.000) 13.751 23.720 ( 0.000 13.751 0.000) 13.751 25.497 ( 0.000 -18.123 0.000) 18.123 25.497 ( 0.000 18.123 0.000) 18.123 26.094 ( 0.000 -10.090 0.000) 10.090 26.094 ( 0.000 10.090 0.000) 10.090 26.216 ( 0.000 -3.567 0.000) 3.567 26.216 ( 0.000 3.567 0.000) 3.567 27.368 ( 0.000 -12.255 0.000) 12.255 27.368 ( 0.000 12.255 0.000) 12.255 27.671 ( 0.000 -16.567 0.000) 16.567 27.671 ( 0.000 16.567 0.000) 16.567 27.971 ( 0.000 -4.572 0.000) 4.572 27.971 ( 0.000 4.572 0.000) 4.572 29.735 ( 0.000 -12.078 0.000) 12.078 29.735 ( 0.000 12.078 0.000) 12.078 30.253 ( 0.000 -5.029 0.000) 5.029 30.253 ( 0.000 5.029 0.000) 5.029 30.909 ( 0.000 -0.808 0.000) 0.808 30.909 ( 0.000 0.808 0.000) 0.808 31.141 ( 0.000 -12.432 0.000) 12.432 31.141 ( 0.000 12.432 0.000) 12.432 31.754 ( 0.000 -3.968 0.000) 3.968 31.754 ( 0.000 3.968 0.000) 3.968 32.247 ( 0.000 -8.749 0.000) 8.749 32.247 ( 0.000 8.749 0.000) 8.749 33.022 ( 0.000 -1.231 0.000) 1.231 33.022 ( 0.000 1.231 0.000) 1.231 34.509 ( 0.000 -2.236 0.000) 2.236 34.509 ( 0.000 2.236 0.000) 2.236 34.960 ( 0.000 -5.195 0.000) 5.195 34.960 ( 0.000 5.195 0.000) 5.195 35.315 ( 0.000 -9.908 0.000) 9.908 35.315 ( 0.000 9.908 0.000) 9.908 35.912 ( 0.000 -4.786 0.000) 4.786 35.912 ( 0.000 4.786 0.000) 4.786 37.443 ( 0.000 -1.791 0.000) 1.791 37.443 ( 0.000 1.791 0.000) 1.791 38.008 ( 0.000 -4.158 0.000) 4.158 38.008 ( 0.000 4.158 0.000) 4.158 46.726 ( 0.000 -3.590 0.000) 3.590 46.726 ( 0.000 3.590 0.000) 3.590 46.875 ( 0.000 -2.837 0.000) 2.837 46.875 ( 0.000 2.837 0.000) 2.837 48.191 ( 0.000 -5.669 0.000) 5.669 48.191 ( 0.000 5.669 0.000) 5.669 48.232 ( 0.000 -1.405 0.000) 1.405 48.232 ( 0.000 1.405 0.000) 1.405 49.742 ( 0.000 -1.711 0.000) 1.711 49.742 ( 0.000 1.711 0.000) 1.711 49.967 ( 0.000 -5.706 0.000) 5.706 49.967 ( 0.000 5.706 0.000) 5.706 72.698 ( 0.000 -0.742 0.000) 0.742 72.698 ( 0.000 0.742 0.000) 0.742 72.715 ( 0.000 -0.269 0.000) 0.269 72.715 ( 0.000 0.269 0.000) 0.269 76.150 ( 0.000 -7.772 0.000) 7.772 76.150 ( 0.000 7.772 0.000) 7.772 76.574 ( 0.000 -27.877 0.000) 27.877 76.574 ( 0.000 27.877 0.000) 27.877 76.766 ( 0.000 -6.264 0.000) 6.264 76.766 ( 0.000 6.264 0.000) 6.264 77.656 ( 0.000 -9.429 0.000) 9.429 77.656 ( 0.000 9.429 0.000) 9.429 79.217 ( 0.000 -23.919 0.000) 23.919 79.217 ( 0.000 23.919 0.000) 23.919 79.649 ( 0.000 -1.067 0.000) 1.067 79.649 ( 0.000 1.067 0.000) 1.067 85.616 ( 0.000 -11.147 0.000) 11.147 85.616 ( 0.000 11.147 0.000) 11.147 85.884 ( 0.000 -5.727 0.000) 5.727 85.884 ( 0.000 5.727 0.000) 5.727 86.518 ( 0.000 -2.527 0.000) 2.527 86.518 ( 0.000 2.527 0.000) 2.527 86.761 ( 0.000 -8.488 0.000) 8.488 86.761 ( 0.000 8.488 0.000) 8.488 102.702 ( 0.000 -0.365 0.000) 0.365 102.702 ( 0.000 0.365 0.000) 0.365 102.992 ( 0.000 -0.891 0.000) 0.891 102.992 ( 0.000 0.891 0.000) 0.891 103.058 ( 0.000 -1.424 0.000) 1.424 103.058 ( 0.000 1.424 0.000) 1.424 103.492 ( 0.000 -0.313 0.000) 0.313 103.492 ( 0.000 0.313 0.000) 0.313 ======================= Grid point 16 (10/60) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -8.063 -26.942 0.000) 28.122 1.047 ( -8.063 26.942 0.000) 28.122 1.209 ( 9.668 -20.234 0.000) 22.425 1.209 ( 9.668 20.234 0.000) 22.425 2.135 ( 13.372 -23.451 0.000) 26.996 2.135 ( 13.372 23.451 0.000) 26.996 2.283 ( -5.237 -2.008 0.000) 5.609 2.283 ( -5.237 2.008 0.000) 5.609 2.449 ( -4.282 -1.888 0.000) 4.680 2.449 ( -4.282 1.888 0.000) 4.680 2.771 ( -15.229 -2.451 0.000) 15.425 2.771 ( -15.229 2.451 0.000) 15.425 3.557 ( 4.764 -8.084 0.000) 9.384 3.557 ( 4.764 8.084 0.000) 9.384 3.590 ( 11.320 -7.822 0.000) 13.759 3.590 ( 11.320 7.822 0.000) 13.759 4.016 ( 2.261 -8.021 0.000) 8.334 4.016 ( 2.261 8.021 0.000) 8.334 4.109 ( -1.932 -9.137 0.000) 9.339 4.109 ( -1.932 9.137 0.000) 9.339 4.385 ( -1.865 -3.298 0.000) 3.789 4.385 ( -1.865 3.298 0.000) 3.789 4.675 ( -0.422 -9.792 0.000) 9.801 4.675 ( -0.422 9.792 0.000) 9.801 4.785 ( -2.913 -4.447 0.000) 5.316 4.785 ( -2.913 4.447 0.000) 5.316 5.025 ( -3.514 -6.779 0.000) 7.636 5.025 ( -3.514 6.779 0.000) 7.636 5.057 ( 2.758 -3.714 0.000) 4.626 5.057 ( 2.758 3.714 0.000) 4.626 5.201 ( -2.189 -3.941 0.000) 4.508 5.201 ( -2.189 3.941 0.000) 4.508 5.383 ( -1.007 -2.223 0.000) 2.440 5.383 ( -1.007 2.223 0.000) 2.440 5.608 ( -3.742 -6.286 0.000) 7.316 5.608 ( -3.742 6.286 0.000) 7.316 5.823 ( 3.509 -3.610 0.000) 5.034 5.823 ( 3.509 3.610 0.000) 5.034 6.071 ( 2.127 -5.299 0.000) 5.710 6.071 ( 2.127 5.299 0.000) 5.710 6.490 ( -3.436 -4.714 0.000) 5.833 6.490 ( -3.436 4.714 0.000) 5.833 6.910 ( -11.474 -6.085 0.000) 12.988 6.910 ( -11.474 6.085 0.000) 12.988 7.087 ( 5.789 -4.549 0.000) 7.363 7.087 ( 5.789 4.549 0.000) 7.363 7.561 ( 3.052 -3.084 0.000) 4.339 7.561 ( 3.052 3.084 0.000) 4.339 7.709 ( 3.092 -3.990 0.000) 5.048 7.709 ( 3.092 3.990 0.000) 5.048 7.755 ( 1.353 -1.382 0.000) 1.934 7.755 ( 1.353 1.382 0.000) 1.934 8.666 ( -0.265 -29.309 0.000) 29.310 8.666 ( -0.265 29.309 0.000) 29.310 8.826 ( 2.212 -3.702 0.000) 4.312 8.826 ( 2.212 3.702 0.000) 4.312 9.638 ( -0.241 -11.057 0.000) 11.059 9.638 ( -0.241 11.057 0.000) 11.059 9.716 ( -1.710 -8.254 0.000) 8.430 9.716 ( -1.710 8.254 0.000) 8.430 10.506 ( -1.546 -0.637 0.000) 1.672 10.506 ( -1.546 0.637 0.000) 1.672 10.838 ( -15.839 -4.716 0.000) 16.526 10.838 ( -15.839 4.716 0.000) 16.526 11.393 ( 5.925 -6.424 0.000) 8.739 11.393 ( 5.925 6.424 0.000) 8.739 11.434 ( 3.205 -1.414 0.000) 3.503 11.434 ( 3.205 1.414 0.000) 3.503 12.279 ( 1.656 -3.753 0.000) 4.102 12.279 ( 1.656 3.753 0.000) 4.102 12.539 ( 0.698 -18.982 0.000) 18.994 12.539 ( 0.698 18.982 0.000) 18.994 19.737 ( 4.199 -1.123 0.000) 4.346 19.737 ( 4.199 1.123 0.000) 4.346 20.478 ( -4.485 -1.989 0.000) 4.906 20.478 ( -4.485 1.989 0.000) 4.906 21.558 ( 3.826 -1.380 0.000) 4.067 21.558 ( 3.826 1.380 0.000) 4.067 21.875 ( 5.371 -4.959 0.000) 7.310 21.875 ( 5.371 4.959 0.000) 7.310 22.139 ( -1.188 -1.115 0.000) 1.629 22.139 ( -1.188 1.115 0.000) 1.629 22.950 ( -5.420 -7.626 0.000) 9.356 22.950 ( -5.420 7.626 0.000) 9.356 23.810 ( 9.092 -15.062 0.000) 17.593 23.810 ( 9.092 15.062 0.000) 17.593 25.414 ( -8.581 -16.807 0.000) 18.871 25.414 ( -8.581 16.807 0.000) 18.871 26.094 ( 0.139 -9.709 0.000) 9.710 26.094 ( 0.139 9.709 0.000) 9.710 26.242 ( 1.457 -11.289 0.000) 11.382 26.242 ( 1.457 11.289 0.000) 11.382 27.403 ( 2.686 -11.703 0.000) 12.008 27.403 ( 2.686 11.703 0.000) 12.008 27.631 ( -3.728 -15.548 0.000) 15.988 27.631 ( -3.728 15.548 0.000) 15.988 28.060 ( 10.188 -4.452 0.000) 11.118 28.060 ( 10.188 4.452 0.000) 11.118 29.802 ( 6.048 -14.243 0.000) 15.474 29.802 ( 6.048 14.243 0.000) 15.474 30.144 ( -11.590 -4.389 0.000) 12.393 30.144 ( -11.590 4.389 0.000) 12.393 30.793 ( -10.851 -4.992 0.000) 11.945 30.793 ( -10.851 4.992 0.000) 11.945 31.173 ( 3.275 -11.963 0.000) 12.403 31.173 ( 3.275 11.963 0.000) 12.403 31.729 ( -2.612 -6.804 0.000) 7.288 31.729 ( -2.612 6.804 0.000) 7.288 32.252 ( 1.098 -7.335 0.000) 7.417 32.252 ( 1.098 7.335 0.000) 7.417 32.988 ( -3.671 -1.813 0.000) 4.094 32.988 ( -3.671 1.813 0.000) 4.094 34.589 ( 9.198 -1.461 0.000) 9.313 34.589 ( 9.198 1.461 0.000) 9.313 35.220 ( 23.593 -4.545 0.000) 24.027 35.220 ( 23.593 4.545 0.000) 24.027 35.313 ( -0.390 -9.326 0.000) 9.334 35.313 ( -0.390 9.326 0.000) 9.334 35.981 ( 7.527 -4.610 0.000) 8.827 35.981 ( 7.527 4.610 0.000) 8.827 37.355 ( -9.005 -1.759 0.000) 9.176 37.355 ( -9.005 1.759 0.000) 9.176 37.918 ( -9.352 -3.416 0.000) 9.956 37.918 ( -9.352 3.416 0.000) 9.956 46.734 ( 0.837 -3.274 0.000) 3.379 46.734 ( 0.837 3.274 0.000) 3.379 46.871 ( -0.482 -2.620 0.000) 2.664 46.871 ( -0.482 2.620 0.000) 2.664 48.189 ( -0.144 -5.021 0.000) 5.023 48.189 ( -0.144 5.021 0.000) 5.023 48.228 ( -0.417 -1.132 0.000) 1.206 48.228 ( -0.417 1.132 0.000) 1.206 49.756 ( 1.377 -2.229 0.000) 2.620 49.756 ( 1.377 2.229 0.000) 2.620 49.963 ( -0.502 -6.095 0.000) 6.116 49.963 ( -0.502 6.095 0.000) 6.116 72.700 ( 0.216 -0.746 0.000) 0.776 72.700 ( 0.216 0.746 0.000) 0.776 72.715 ( -0.000 -0.323 0.000) 0.323 72.715 ( -0.000 0.323 0.000) 0.323 76.163 ( 1.334 -7.999 0.000) 8.110 76.163 ( 1.334 7.999 0.000) 8.110 76.596 ( 2.390 -27.630 0.000) 27.733 76.596 ( 2.390 27.630 0.000) 27.733 76.692 ( -7.297 -6.601 0.000) 9.839 76.692 ( -7.297 6.601 0.000) 9.839 77.492 ( -14.520 -13.264 0.000) 19.667 77.492 ( -14.520 13.264 0.000) 19.667 79.226 ( 0.872 -25.696 0.000) 25.711 79.226 ( 0.872 25.696 0.000) 25.711 79.539 ( -8.502 -64.356 0.000) 64.915 79.539 ( -8.502 64.356 0.000) 64.915 85.636 ( 2.050 -13.794 0.000) 13.946 85.636 ( 2.050 13.794 0.000) 13.946 86.066 ( 14.299 -4.350 0.000) 14.947 86.066 ( 14.299 4.350 0.000) 14.947 86.458 ( -4.943 -9.104 0.000) 10.359 86.458 ( -4.943 9.104 0.000) 10.359 86.763 ( 0.098 -8.582 0.000) 8.582 86.763 ( 0.098 8.582 0.000) 8.582 102.717 ( 1.471 -0.387 0.000) 1.521 102.717 ( 1.471 0.387 0.000) 1.521 102.974 ( -1.696 -0.769 0.000) 1.862 102.974 ( -1.696 0.769 0.000) 1.862 103.075 ( 1.646 -2.054 0.000) 2.632 103.075 ( 1.646 2.054 0.000) 2.632 103.438 ( -4.820 -9.790 0.000) 10.912 103.438 ( -4.820 9.790 0.000) 10.912 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 5.605 -22.199 0.000) 22.896 1.007 ( 5.605 22.199 0.000) 22.896 1.442 ( 13.079 -13.112 0.000) 18.519 1.442 ( 13.079 13.112 0.000) 18.519 2.091 ( -14.511 -2.555 0.000) 14.735 2.091 ( -14.511 2.555 0.000) 14.735 2.278 ( -5.326 -4.353 0.000) 6.879 2.278 ( -5.326 4.353 0.000) 6.879 2.406 ( 5.108 -10.255 0.000) 11.457 2.406 ( 5.108 10.255 0.000) 11.457 2.548 ( -6.615 -5.952 0.000) 8.899 2.548 ( -6.615 5.952 0.000) 8.899 3.676 ( 7.041 -2.353 0.000) 7.424 3.676 ( 7.041 2.353 0.000) 7.424 3.741 ( 4.146 -1.739 0.000) 4.496 3.741 ( 4.146 1.739 0.000) 4.496 4.066 ( -1.972 -7.465 0.000) 7.721 4.066 ( -1.972 7.465 0.000) 7.721 4.098 ( 5.111 -2.951 0.000) 5.902 4.098 ( 5.111 2.951 0.000) 5.902 4.346 ( -1.058 -1.382 0.000) 1.741 4.346 ( -1.058 1.382 0.000) 1.741 4.685 ( 1.527 -10.627 0.000) 10.736 4.685 ( 1.527 10.627 0.000) 10.736 4.698 ( -6.910 -9.101 0.000) 11.427 4.698 ( -6.910 9.101 0.000) 11.427 4.899 ( -6.461 -3.930 0.000) 7.562 4.899 ( -6.461 3.930 0.000) 7.562 5.111 ( 2.308 -4.136 0.000) 4.736 5.111 ( 2.308 4.136 0.000) 4.736 5.141 ( -3.475 -4.177 0.000) 5.434 5.141 ( -3.475 4.177 0.000) 5.434 5.445 ( 4.538 -4.703 0.000) 6.535 5.445 ( 4.538 4.703 0.000) 6.535 5.524 ( -4.381 -3.856 0.000) 5.836 5.524 ( -4.381 3.856 0.000) 5.836 5.886 ( 3.815 -4.593 0.000) 5.971 5.886 ( 3.815 4.593 0.000) 5.971 6.104 ( 0.826 -3.587 0.000) 3.681 6.104 ( 0.826 3.587 0.000) 3.681 6.434 ( -2.093 -6.890 0.000) 7.201 6.434 ( -2.093 6.890 0.000) 7.201 6.679 ( -11.477 -7.572 0.000) 13.750 6.679 ( -11.477 7.572 0.000) 13.750 7.201 ( 5.695 -7.236 0.000) 9.208 7.201 ( 5.695 7.236 0.000) 9.208 7.529 ( -4.666 -1.536 0.000) 4.913 7.529 ( -4.666 1.536 0.000) 4.913 7.809 ( 4.132 -3.189 0.000) 5.219 7.809 ( 4.132 3.189 0.000) 5.219 7.831 ( 6.987 -6.892 0.000) 9.814 7.831 ( 6.987 6.892 0.000) 9.814 8.667 ( 0.688 -28.519 0.000) 28.527 8.667 ( 0.688 28.519 0.000) 28.527 8.845 ( -0.823 -7.912 0.000) 7.955 8.845 ( -0.823 7.912 0.000) 7.955 9.632 ( -0.425 -10.577 0.000) 10.585 9.632 ( -0.425 10.577 0.000) 10.585 9.674 ( -2.339 -8.463 0.000) 8.781 9.674 ( -2.339 8.463 0.000) 8.781 10.472 ( -1.783 -1.340 0.000) 2.230 10.472 ( -1.783 1.340 0.000) 2.230 10.572 ( -10.265 -8.795 0.000) 13.518 10.572 ( -10.265 8.795 0.000) 13.518 11.493 ( 4.328 -4.773 0.000) 6.443 11.493 ( 4.328 4.773 0.000) 6.443 11.505 ( 3.588 -1.358 0.000) 3.837 11.505 ( 3.588 1.358 0.000) 3.837 12.326 ( 3.111 -7.349 0.000) 7.981 12.326 ( 3.111 7.349 0.000) 7.981 12.529 ( -1.883 -20.165 0.000) 20.253 12.529 ( -1.883 20.165 0.000) 20.253 19.850 ( 7.373 -1.352 0.000) 7.496 19.850 ( 7.373 1.352 0.000) 7.496 20.358 ( -7.727 -1.979 0.000) 7.976 20.358 ( -7.727 1.979 0.000) 7.976 21.660 ( 6.524 -1.072 0.000) 6.612 21.660 ( 6.524 1.072 0.000) 6.612 22.001 ( 4.112 -2.668 0.000) 4.902 22.001 ( 4.112 2.668 0.000) 4.902 22.116 ( 2.136 -2.773 0.000) 3.500 22.116 ( 2.136 2.773 0.000) 3.500 22.798 ( -10.230 -7.091 0.000) 12.447 22.798 ( -10.230 7.091 0.000) 12.447 24.055 ( 15.940 -14.884 0.000) 21.808 24.055 ( 15.940 14.884 0.000) 21.808 25.171 ( -16.356 -13.667 0.000) 21.315 25.171 ( -16.356 13.667 0.000) 21.315 26.103 ( 0.931 -9.338 0.000) 9.385 26.103 ( 0.931 9.338 0.000) 9.385 26.238 ( -1.890 -12.459 0.000) 12.602 26.238 ( -1.890 12.459 0.000) 12.602 27.441 ( 1.182 -10.287 0.000) 10.354 27.441 ( 1.182 10.287 0.000) 10.354 27.552 ( -3.924 -12.817 0.000) 13.404 27.552 ( -3.924 12.817 0.000) 13.404 28.372 ( 21.309 -4.870 0.000) 21.858 28.372 ( 21.309 4.870 0.000) 21.858 29.813 ( -21.918 -2.374 0.000) 22.046 29.813 ( -21.918 2.374 0.000) 22.046 29.935 ( 7.417 -15.185 0.000) 16.900 29.935 ( 7.417 15.185 0.000) 16.900 30.548 ( -13.543 -9.036 0.000) 16.280 30.548 ( -13.543 9.036 0.000) 16.280 31.261 ( 5.724 -11.943 0.000) 13.243 31.261 ( 5.724 11.943 0.000) 13.243 31.649 ( -5.695 -10.498 0.000) 11.943 31.649 ( -5.695 10.498 0.000) 11.943 32.322 ( 6.658 -5.238 0.000) 8.472 32.322 ( 6.658 5.238 0.000) 8.472 32.878 ( -7.608 -1.441 0.000) 7.743 32.878 ( -7.608 1.441 0.000) 7.743 34.832 ( 14.141 -1.195 0.000) 14.191 34.832 ( 14.141 1.195 0.000) 14.191 35.291 ( -2.149 -7.677 0.000) 7.972 35.291 ( -2.149 7.677 0.000) 7.972 35.744 ( 28.408 -3.233 0.000) 28.592 35.744 ( 28.408 3.233 0.000) 28.592 36.225 ( 18.544 -3.580 0.000) 18.887 36.225 ( 18.544 3.580 0.000) 18.887 37.104 ( -16.825 -1.656 0.000) 16.907 37.104 ( -16.825 1.656 0.000) 16.907 37.648 ( -18.592 -1.923 0.000) 18.691 37.648 ( -18.592 1.923 0.000) 18.691 46.757 ( 1.504 -2.387 0.000) 2.821 46.757 ( 1.504 2.387 0.000) 2.821 46.854 ( -1.223 -1.804 0.000) 2.179 46.854 ( -1.223 1.804 0.000) 2.179 48.188 ( 0.085 -3.709 0.000) 3.710 48.188 ( 0.085 3.709 0.000) 3.710 48.217 ( -0.664 -0.428 0.000) 0.790 48.217 ( -0.664 0.428 0.000) 0.790 49.793 ( 2.430 -3.292 0.000) 4.092 49.793 ( 2.430 3.292 0.000) 4.092 49.943 ( -1.678 -6.193 0.000) 6.417 49.943 ( -1.678 6.193 0.000) 6.417 72.705 ( 0.309 -0.747 0.000) 0.809 72.705 ( 0.309 0.747 0.000) 0.809 72.715 ( -0.010 -0.468 0.000) 0.468 72.715 ( -0.010 0.468 0.000) 0.468 76.200 ( 2.453 -8.449 0.000) 8.797 76.200 ( 2.453 8.449 0.000) 8.797 76.518 ( -9.535 -7.349 0.000) 12.038 76.518 ( -9.535 7.349 0.000) 12.038 76.668 ( 5.089 -26.720 0.000) 27.201 76.668 ( 5.089 26.720 0.000) 27.201 77.204 ( -13.870 -22.168 0.000) 26.150 77.204 ( -13.870 22.168 0.000) 26.150 79.249 ( 1.524 -31.230 0.000) 31.267 79.249 ( 1.524 31.230 0.000) 31.267 79.402 ( -5.237 -68.690 0.000) 68.889 79.402 ( -5.237 68.690 0.000) 68.889 85.698 ( 4.575 -18.453 0.000) 19.012 85.698 ( 4.575 18.453 0.000) 19.012 86.164 ( -6.625 -9.874 0.000) 11.891 86.164 ( -6.625 9.874 0.000) 11.891 86.487 ( 9.464 -10.101 0.000) 13.842 86.487 ( 9.464 10.101 0.000) 13.842 86.761 ( -0.439 -8.715 0.000) 8.727 86.761 ( -0.439 8.715 0.000) 8.727 102.757 ( 2.620 -0.451 0.000) 2.658 102.757 ( 2.620 0.451 0.000) 2.658 102.932 ( -2.602 -0.663 0.000) 2.685 102.932 ( -2.602 0.663 0.000) 2.685 103.116 ( 2.564 -3.675 0.000) 4.481 103.116 ( 2.564 3.675 0.000) 4.481 103.337 ( -5.182 -11.886 0.000) 12.967 103.337 ( -5.182 11.886 0.000) 12.967 ======================= Grid point 20 (12/60) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 17.096 -10.828 0.000) 20.236 1.244 ( 17.096 10.828 0.000) 20.236 1.556 ( -9.205 -4.253 0.000) 10.140 1.556 ( -9.205 4.253 0.000) 10.140 1.899 ( 3.343 -6.551 0.000) 7.355 1.899 ( 3.343 6.551 0.000) 7.355 2.092 ( -11.600 -4.295 0.000) 12.370 2.092 ( -11.600 4.295 0.000) 12.370 2.481 ( 1.428 -2.889 0.000) 3.223 2.481 ( 1.428 2.889 0.000) 3.223 2.490 ( -0.648 -5.211 0.000) 5.251 2.490 ( -0.648 5.211 0.000) 5.251 3.784 ( 2.857 -6.479 0.000) 7.081 3.784 ( 2.857 6.479 0.000) 7.081 3.787 ( 1.444 -5.339 0.000) 5.531 3.787 ( 1.444 5.339 0.000) 5.531 4.062 ( 2.175 -5.281 0.000) 5.711 4.062 ( 2.175 5.281 0.000) 5.711 4.124 ( -2.609 -3.822 0.000) 4.628 4.124 ( -2.609 3.822 0.000) 4.628 4.402 ( 6.509 -7.770 0.000) 10.136 4.402 ( 6.509 7.770 0.000) 10.136 4.544 ( -7.942 -9.734 0.000) 12.563 4.544 ( -7.942 9.734 0.000) 12.563 4.726 ( 2.778 -11.454 0.000) 11.786 4.726 ( 2.778 11.454 0.000) 11.786 4.798 ( -4.584 -9.941 0.000) 10.947 4.798 ( -4.584 9.941 0.000) 10.947 5.108 ( 0.360 -2.486 0.000) 2.512 5.108 ( 0.360 2.486 0.000) 2.512 5.129 ( -0.664 -3.367 0.000) 3.432 5.129 ( -0.664 3.367 0.000) 3.432 5.468 ( -0.844 -4.179 0.000) 4.263 5.468 ( -0.844 4.179 0.000) 4.263 5.479 ( -0.725 -7.133 0.000) 7.170 5.479 ( -0.725 7.133 0.000) 7.170 5.991 ( 6.466 -8.394 0.000) 10.596 5.991 ( 6.466 8.394 0.000) 10.596 6.088 ( -2.871 -6.155 0.000) 6.792 6.088 ( -2.871 6.155 0.000) 6.792 6.420 ( 1.091 -6.142 0.000) 6.238 6.420 ( 1.091 6.142 0.000) 6.238 6.496 ( -6.995 -6.515 0.000) 9.559 6.496 ( -6.995 6.515 0.000) 9.559 7.308 ( 5.678 -6.711 0.000) 8.790 7.308 ( 5.678 6.711 0.000) 8.790 7.422 ( -5.997 -4.160 0.000) 7.299 7.422 ( -5.997 4.160 0.000) 7.299 7.892 ( 3.667 -5.014 0.000) 6.212 7.892 ( 3.667 5.014 0.000) 6.212 7.919 ( 1.531 -6.904 0.000) 7.071 7.919 ( 1.531 6.904 0.000) 7.071 8.707 ( 3.616 -24.278 0.000) 24.546 8.707 ( 3.616 24.278 0.000) 24.546 8.791 ( -4.357 -15.966 0.000) 16.550 8.791 ( -4.357 15.966 0.000) 16.550 9.624 ( -0.114 -9.508 0.000) 9.509 9.624 ( -0.114 9.508 0.000) 9.509 9.636 ( -1.404 -8.870 0.000) 8.980 9.636 ( -1.404 8.870 0.000) 8.980 10.444 ( -0.897 -3.137 0.000) 3.263 10.444 ( -0.897 3.137 0.000) 3.263 10.454 ( -2.583 -6.380 0.000) 6.883 10.454 ( -2.583 6.380 0.000) 6.883 11.553 ( 1.724 -3.546 0.000) 3.943 11.553 ( 1.724 3.546 0.000) 3.943 11.556 ( 1.411 -2.348 0.000) 2.740 11.556 ( 1.411 2.348 0.000) 2.740 12.396 ( 4.002 -11.452 0.000) 12.131 12.396 ( 4.002 11.452 0.000) 12.131 12.472 ( -3.731 -16.013 0.000) 16.442 12.472 ( -3.731 16.013 0.000) 16.442 20.012 ( 9.142 -1.648 0.000) 9.289 20.012 ( 9.142 1.648 0.000) 9.289 20.192 ( -9.291 -1.875 0.000) 9.478 20.192 ( -9.291 1.875 0.000) 9.478 21.799 ( 7.597 -0.794 0.000) 7.638 21.799 ( 7.597 0.794 0.000) 7.638 21.940 ( -6.592 -0.737 0.000) 6.633 21.940 ( -6.592 0.737 0.000) 6.633 22.305 ( 13.327 -5.651 0.000) 14.475 22.305 ( 13.327 5.651 0.000) 14.475 22.568 ( -13.334 -6.416 0.000) 14.798 22.568 ( -13.334 6.416 0.000) 14.798 24.407 ( 20.183 -12.742 0.000) 23.869 24.407 ( 20.183 12.742 0.000) 23.869 24.807 ( -20.644 -11.607 0.000) 23.683 24.807 ( -20.644 11.607 0.000) 23.683 26.133 ( 2.201 -9.549 0.000) 9.800 26.133 ( 2.201 9.549 0.000) 9.800 26.186 ( -3.040 -10.633 0.000) 11.059 26.186 ( -3.040 10.633 0.000) 11.059 27.460 ( 1.110 -9.180 0.000) 9.247 27.460 ( 1.110 9.180 0.000) 9.247 27.491 ( -2.303 -10.033 0.000) 10.294 27.491 ( -2.303 10.033 0.000) 10.294 28.835 ( 25.885 -3.681 0.000) 26.145 28.835 ( 25.885 3.681 0.000) 26.145 29.342 ( -26.122 -1.227 0.000) 26.151 29.342 ( -26.122 1.227 0.000) 26.151 30.092 ( 9.199 -13.781 0.000) 16.569 30.092 ( 9.199 13.781 0.000) 16.569 30.297 ( -12.106 -11.786 0.000) 16.896 30.297 ( -12.106 11.786 0.000) 16.896 31.385 ( 6.932 -12.338 0.000) 14.152 31.385 ( 6.932 12.338 0.000) 14.152 31.522 ( -7.110 -12.087 0.000) 14.023 31.522 ( -7.110 12.087 0.000) 14.023 32.495 ( 10.563 -2.900 0.000) 10.954 32.495 ( 10.563 2.900 0.000) 10.954 32.702 ( -10.389 -0.951 0.000) 10.433 32.702 ( -10.389 0.951 0.000) 10.433 35.073 ( 10.203 -3.283 0.000) 10.718 35.073 ( 10.203 3.283 0.000) 10.718 35.221 ( -5.365 -5.547 0.000) 7.717 35.221 ( -5.365 5.547 0.000) 7.717 36.261 ( 25.279 -1.778 0.000) 25.342 36.261 ( 25.279 1.778 0.000) 25.342 36.686 ( 27.663 -1.374 0.000) 27.697 36.686 ( 27.663 1.374 0.000) 27.697 36.722 ( -22.352 -1.501 0.000) 22.402 36.722 ( -22.352 1.501 0.000) 22.402 37.215 ( -25.892 -0.515 0.000) 25.897 37.215 ( -25.892 0.515 0.000) 25.897 46.790 ( 1.847 -1.120 0.000) 2.160 46.790 ( 1.847 1.120 0.000) 2.160 46.825 ( -1.758 -0.597 0.000) 1.857 46.825 ( -1.758 0.597 0.000) 1.857 48.193 ( 0.427 -2.297 0.000) 2.336 48.193 ( 0.427 2.297 0.000) 2.336 48.204 ( -0.658 -0.948 0.000) 1.154 48.204 ( -0.658 0.948 0.000) 1.154 49.846 ( 2.903 -4.458 0.000) 5.320 49.846 ( 2.903 4.458 0.000) 5.320 49.900 ( -2.643 -5.519 0.000) 6.119 49.900 ( -2.643 5.519 0.000) 6.119 72.711 ( 0.245 -0.717 0.000) 0.758 72.711 ( 0.245 0.717 0.000) 0.758 72.714 ( -0.104 -0.623 0.000) 0.632 72.714 ( -0.104 0.623 0.000) 0.632 76.260 ( 3.926 -8.870 0.000) 9.700 76.260 ( 3.926 8.870 0.000) 9.700 76.359 ( -6.676 -8.765 0.000) 11.017 76.359 ( -6.676 8.765 0.000) 11.017 76.793 ( 7.898 -25.374 0.000) 26.574 76.793 ( 7.898 25.374 0.000) 26.574 76.971 ( -10.589 -24.424 0.000) 26.620 76.971 ( -10.589 24.424 0.000) 26.620 79.283 ( 1.989 -40.842 0.000) 40.891 79.283 ( 1.989 40.842 0.000) 40.891 79.328 ( -2.824 -54.355 0.000) 54.428 79.328 ( -2.824 54.355 0.000) 54.428 85.815 ( 7.544 -21.169 0.000) 22.473 85.815 ( 7.544 21.169 0.000) 22.473 85.985 ( -9.870 -19.407 0.000) 21.773 85.985 ( -9.870 19.407 0.000) 21.773 86.654 ( 6.495 -8.627 0.000) 10.799 86.654 ( 6.495 8.627 0.000) 10.799 86.736 ( -2.412 -8.673 0.000) 9.002 86.736 ( -2.412 8.673 0.000) 9.002 102.814 ( 3.197 -0.530 0.000) 3.241 102.814 ( 3.197 0.530 0.000) 3.241 102.876 ( -3.150 -0.599 0.000) 3.207 102.876 ( -3.150 0.599 0.000) 3.207 103.173 ( 3.368 -6.225 0.000) 7.078 103.173 ( 3.368 6.225 0.000) 7.078 103.246 ( -4.231 -9.424 0.000) 10.331 103.246 ( -4.231 9.424 0.000) 10.331 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 0.000 0.000 25.837) 25.837 0.502 ( 0.000 0.000 25.776) 25.776 0.860 ( 0.000 0.000 43.655) 43.655 1.829 ( 0.000 0.000 3.639) 3.639 1.975 ( 0.000 0.000 0.989) 0.989 2.221 ( 0.000 0.000 0.906) 0.906 2.352 ( 0.000 0.000 -0.924) 0.924 2.506 ( 0.000 0.000 4.991) 4.991 2.553 ( 0.000 0.000 -15.413) 15.413 2.564 ( 0.000 0.000 5.043) 5.043 2.944 ( 0.000 0.000 -0.568) 0.568 3.059 ( 0.000 0.000 -0.727) 0.727 3.066 ( 0.000 0.000 -4.878) 4.878 3.315 ( 0.000 0.000 7.243) 7.243 3.604 ( 0.000 0.000 9.223) 9.223 3.752 ( 0.000 0.000 -0.524) 0.524 3.830 ( 0.000 0.000 -1.901) 1.901 3.914 ( 0.000 0.000 5.492) 5.492 4.210 ( 0.000 0.000 1.326) 1.326 4.285 ( 0.000 0.000 -2.767) 2.767 4.342 ( 0.000 0.000 -7.344) 7.344 4.345 ( 0.000 0.000 -5.410) 5.410 4.513 ( 0.000 0.000 -1.605) 1.605 4.766 ( 0.000 0.000 -1.273) 1.273 4.783 ( 0.000 0.000 -1.807) 1.807 4.875 ( 0.000 0.000 -5.796) 5.796 4.961 ( 0.000 0.000 3.513) 3.513 4.980 ( 0.000 0.000 -7.051) 7.051 5.013 ( 0.000 0.000 0.770) 0.770 5.074 ( 0.000 0.000 -0.404) 0.404 5.146 ( 0.000 0.000 1.489) 1.489 5.345 ( 0.000 0.000 -14.011) 14.011 5.400 ( 0.000 0.000 5.913) 5.913 5.495 ( 0.000 0.000 -7.902) 7.902 5.496 ( 0.000 0.000 1.278) 1.278 5.764 ( 0.000 0.000 -2.688) 2.688 5.861 ( 0.000 0.000 -1.734) 1.734 5.874 ( 0.000 0.000 -0.879) 0.879 6.069 ( 0.000 0.000 12.532) 12.532 6.104 ( 0.000 0.000 0.280) 0.280 6.401 ( 0.000 0.000 -4.049) 4.049 6.405 ( 0.000 0.000 7.797) 7.797 6.676 ( 0.000 0.000 -8.250) 8.250 7.060 ( 0.000 0.000 1.904) 1.904 7.109 ( 0.000 0.000 -1.716) 1.716 7.166 ( 0.000 0.000 8.881) 8.881 7.350 ( 0.000 0.000 -0.990) 0.990 7.619 ( 0.000 0.000 1.483) 1.483 7.628 ( 0.000 0.000 3.330) 3.330 7.750 ( 0.000 0.000 5.569) 5.569 7.751 ( 0.000 0.000 0.376) 0.376 7.847 ( 0.000 0.000 7.135) 7.135 7.927 ( 0.000 0.000 -1.798) 1.798 8.741 ( 0.000 0.000 0.080) 0.080 9.053 ( 0.000 0.000 -1.330) 1.330 9.287 ( 0.000 0.000 0.862) 0.862 9.429 ( 0.000 0.000 -2.500) 2.500 9.754 ( 0.000 0.000 5.659) 5.659 9.961 ( 0.000 0.000 4.345) 4.345 10.307 ( 0.000 0.000 -1.634) 1.634 10.393 ( 0.000 0.000 0.202) 0.202 10.718 ( 0.000 0.000 -9.309) 9.309 10.887 ( 0.000 0.000 -1.232) 1.232 11.030 ( 0.000 0.000 -3.396) 3.396 11.122 ( 0.000 0.000 -1.140) 1.140 11.187 ( 0.000 0.000 8.088) 8.088 11.298 ( 0.000 0.000 -7.260) 7.260 11.346 ( 0.000 0.000 1.242) 1.242 11.785 ( 0.000 0.000 5.587) 5.587 12.235 ( 0.000 0.000 1.806) 1.806 12.679 ( 0.000 0.000 -4.061) 4.061 12.680 ( 0.000 0.000 -1.794) 1.794 19.645 ( 0.000 0.000 -1.822) 1.822 19.726 ( 0.000 0.000 0.181) 0.181 20.408 ( 0.000 0.000 -6.061) 6.061 20.534 ( 0.000 0.000 -4.830) 4.830 21.531 ( 0.000 0.000 5.508) 5.508 21.661 ( 0.000 0.000 4.945) 4.945 21.704 ( 0.000 0.000 1.010) 1.010 21.863 ( 0.000 0.000 0.412) 0.412 22.134 ( 0.000 0.000 0.604) 0.604 22.152 ( 0.000 0.000 -0.128) 0.128 22.805 ( 0.000 0.000 0.597) 0.597 23.224 ( 0.000 0.000 -3.409) 3.409 23.288 ( 0.000 0.000 1.916) 1.916 24.051 ( 0.000 0.000 -3.806) 3.806 25.800 ( 0.000 0.000 3.128) 3.128 25.823 ( 0.000 0.000 -1.466) 1.466 25.966 ( 0.000 0.000 -11.875) 11.875 26.027 ( 0.000 0.000 13.186) 13.186 26.341 ( 0.000 0.000 6.303) 6.303 26.744 ( 0.000 0.000 23.161) 23.161 26.940 ( 0.000 0.000 -3.738) 3.738 27.144 ( 0.000 0.000 3.842) 3.842 27.747 ( 0.000 0.000 -1.730) 1.730 27.799 ( 0.000 0.000 -1.191) 1.191 27.980 ( 0.000 0.000 -3.261) 3.261 28.166 ( 0.000 0.000 2.671) 2.671 29.391 ( 0.000 0.000 2.060) 2.060 30.237 ( 0.000 0.000 -11.292) 11.292 30.318 ( 0.000 0.000 2.172) 2.172 30.366 ( 0.000 0.000 -13.563) 13.563 30.531 ( 0.000 0.000 -1.640) 1.640 30.925 ( 0.000 0.000 -6.867) 6.867 30.932 ( 0.000 0.000 0.151) 0.151 31.325 ( 0.000 0.000 -9.234) 9.234 31.588 ( 0.000 0.000 0.588) 0.588 31.738 ( 0.000 0.000 -3.209) 3.209 32.237 ( 0.000 0.000 10.926) 10.926 32.569 ( 0.000 0.000 3.701) 3.701 32.968 ( 0.000 0.000 -0.955) 0.955 32.989 ( 0.000 0.000 -0.647) 0.647 34.508 ( 0.000 0.000 3.598) 3.598 34.640 ( 0.000 0.000 1.723) 1.723 34.836 ( 0.000 0.000 3.074) 3.074 35.059 ( 0.000 0.000 2.167) 2.167 35.101 ( 0.000 0.000 -0.131) 0.131 35.618 ( 0.000 0.000 0.648) 0.648 35.705 ( 0.000 0.000 -4.690) 4.690 35.982 ( 0.000 0.000 -4.762) 4.762 37.447 ( 0.000 0.000 5.014) 5.014 37.535 ( 0.000 0.000 3.698) 3.698 37.866 ( 0.000 0.000 0.918) 0.918 37.963 ( 0.000 0.000 1.365) 1.365 46.685 ( 0.000 0.000 6.161) 6.161 46.839 ( 0.000 0.000 2.856) 2.856 46.953 ( 0.000 0.000 6.335) 6.335 47.031 ( 0.000 0.000 4.997) 4.997 47.994 ( 0.000 0.000 -1.775) 1.775 48.130 ( 0.000 0.000 -5.681) 5.681 48.218 ( 0.000 0.000 -5.281) 5.281 48.280 ( 0.000 0.000 -1.745) 1.745 49.698 ( 0.000 0.000 0.350) 0.350 49.792 ( 0.000 0.000 -0.464) 0.464 49.925 ( 0.000 0.000 0.983) 0.983 50.122 ( 0.000 0.000 -0.287) 0.287 72.755 ( 0.000 0.000 7.291) 7.291 72.808 ( 0.000 0.000 8.928) 8.928 72.827 ( 0.000 0.000 12.975) 12.975 75.157 ( 0.000 0.000 -14.842) 14.842 75.585 ( 0.000 0.000 -8.507) 8.507 75.941 ( 0.000 0.000 0.609) 0.609 76.193 ( 0.000 0.000 -14.916) 14.916 76.193 ( 0.000 0.000 6.418) 6.418 76.721 ( 0.000 0.000 8.894) 8.894 77.026 ( 0.000 0.000 -10.831) 10.831 77.152 ( 0.000 0.000 -4.192) 4.192 77.660 ( 0.000 0.000 1.069) 1.069 77.919 ( 0.000 0.000 3.153) 3.153 78.423 ( 0.000 0.000 5.245) 5.245 79.559 ( 0.000 0.000 -11.730) 11.730 80.098 ( 0.000 0.000 -5.658) 5.658 85.202 ( 0.000 0.000 -2.568) 2.568 85.363 ( 0.000 0.000 1.030) 1.030 85.766 ( 0.000 0.000 3.046) 3.046 85.830 ( 0.000 0.000 -1.775) 1.775 86.082 ( 0.000 0.000 0.650) 0.650 86.369 ( 0.000 0.000 -12.834) 12.834 87.313 ( 0.000 0.000 23.722) 23.722 88.318 ( 0.000 0.000 0.243) 0.243 102.695 ( 0.000 0.000 0.326) 0.326 102.724 ( 0.000 0.000 1.245) 1.245 102.847 ( 0.000 0.000 -1.017) 1.017 102.972 ( 0.000 0.000 0.528) 0.528 103.017 ( 0.000 0.000 -0.065) 0.065 103.021 ( 0.000 0.000 0.260) 0.260 103.161 ( 0.000 0.000 -0.754) 0.754 103.436 ( 0.000 0.000 -4.773) 4.773 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 16.756 0.000 14.791) 22.351 0.716 ( 19.197 0.000 16.465) 25.291 1.182 ( 25.001 0.000 31.519) 40.230 1.843 ( 1.246 0.000 2.008) 2.363 1.988 ( 1.535 0.000 2.754) 3.153 2.177 ( -4.222 0.000 0.635) 4.270 2.293 ( -5.882 0.000 -0.583) 5.911 2.429 ( -10.480 0.000 -8.715) 13.630 2.463 ( -4.277 0.000 4.922) 6.521 2.519 ( -4.782 0.000 4.650) 6.670 2.801 ( -15.892 0.000 1.437) 15.957 2.901 ( -10.751 0.000 -0.616) 10.769 3.199 ( 12.205 0.000 -5.529) 13.399 3.397 ( 6.806 0.000 1.481) 6.966 3.649 ( 4.325 0.000 5.979) 7.380 3.805 ( -2.094 0.000 -0.412) 2.134 3.829 ( 3.147 0.000 -10.340) 10.808 4.047 ( 11.333 0.000 2.993) 11.722 4.193 ( -1.654 0.000 -0.215) 1.668 4.264 ( -2.180 0.000 -2.747) 3.507 4.340 ( -0.406 0.000 -4.227) 4.246 4.343 ( 0.033 0.000 -6.408) 6.408 4.469 ( -6.062 0.000 0.433) 6.077 4.563 ( -12.861 0.000 1.045) 12.904 4.802 ( -0.166 0.000 -0.834) 0.850 4.815 ( 3.245 0.000 -0.598) 3.300 4.901 ( -5.767 0.000 1.948) 6.087 4.988 ( -1.971 0.000 3.542) 4.053 5.024 ( 3.439 0.000 2.914) 4.508 5.099 ( 3.381 0.000 -3.157) 4.626 5.253 ( 1.765 0.000 -10.169) 10.321 5.364 ( 0.686 0.000 2.995) 3.073 5.443 ( -5.637 0.000 -8.106) 9.874 5.459 ( 3.277 0.000 -1.604) 3.649 5.631 ( 10.862 0.000 -5.233) 12.057 5.755 ( -1.154 0.000 -2.902) 3.123 5.794 ( -4.836 0.000 0.752) 4.894 5.931 ( 5.288 0.000 0.127) 5.289 6.060 ( -1.922 0.000 7.314) 7.562 6.104 ( 1.537 0.000 0.448) 1.601 6.371 ( -1.657 0.000 3.361) 3.747 6.430 ( 1.356 0.000 -0.222) 1.374 6.558 ( -10.614 0.000 -3.212) 11.089 7.011 ( -8.352 0.000 -1.584) 8.501 7.028 ( 1.818 0.000 -0.267) 1.838 7.413 ( 12.107 0.000 -4.910) 13.065 7.419 ( 5.256 0.000 -1.317) 5.418 7.624 ( 0.207 0.000 3.081) 3.088 7.627 ( 1.134 0.000 1.444) 1.836 7.721 ( -2.444 0.000 -0.071) 2.445 7.752 ( -0.705 0.000 4.205) 4.264 7.900 ( 5.725 0.000 7.456) 9.400 7.934 ( 0.075 0.000 -1.267) 1.269 8.657 ( -12.453 0.000 12.380) 17.560 8.896 ( -3.698 0.000 1.384) 3.948 9.302 ( 1.594 0.000 1.481) 2.176 9.397 ( -3.272 0.000 -3.281) 4.634 9.726 ( -2.911 0.000 5.365) 6.104 9.973 ( 1.274 0.000 4.590) 4.764 10.294 ( -0.993 0.000 -1.481) 1.783 10.376 ( -1.650 0.000 1.047) 1.954 10.510 ( -16.657 0.000 5.291) 17.478 10.908 ( 1.828 0.000 -0.786) 1.990 10.969 ( -1.391 0.000 8.929) 9.037 11.007 ( -0.779 0.000 -2.758) 2.866 11.262 ( -2.271 0.000 -6.988) 7.348 11.271 ( 6.727 0.000 4.913) 8.330 11.385 ( 3.611 0.000 1.298) 3.837 11.813 ( 3.371 0.000 4.323) 5.482 12.210 ( -4.053 0.000 3.823) 5.572 12.385 ( 0.670 0.000 2.514) 2.601 13.018 ( 3.422 0.000 -13.466) 13.894 19.681 ( 3.754 0.000 -1.925) 4.219 19.756 ( 3.719 0.000 -0.552) 3.760 20.367 ( -4.097 0.000 -5.600) 6.939 20.501 ( -3.934 0.000 -4.088) 5.673 21.560 ( 2.974 0.000 4.142) 5.099 21.670 ( 2.079 0.000 6.154) 6.495 21.758 ( 5.725 0.000 1.350) 5.882 21.950 ( 8.421 0.000 1.075) 8.489 22.125 ( -2.817 0.000 -0.818) 2.933 22.153 ( -0.807 0.000 -2.465) 2.593 22.764 ( -4.235 0.000 1.366) 4.450 23.162 ( -6.318 0.000 -3.286) 7.121 23.391 ( 10.575 0.000 1.689) 10.709 24.242 ( 13.453 0.000 -10.832) 17.272 25.297 ( -23.981 0.000 17.450) 29.658 25.818 ( 1.722 0.000 3.444) 3.851 25.880 ( -13.532 0.000 -10.058) 16.861 26.024 ( -0.416 0.000 12.141) 12.148 26.382 ( 1.434 0.000 3.523) 3.804 26.960 ( 2.067 0.000 -3.792) 4.319 26.978 ( 1.111 0.000 9.004) 9.072 27.151 ( 0.607 0.000 3.125) 3.184 27.682 ( -2.816 0.000 -0.718) 2.906 27.937 ( 8.666 0.000 -3.351) 9.292 28.097 ( 15.385 0.000 -7.111) 16.949 28.121 ( -2.262 0.000 4.294) 4.853 29.429 ( 3.903 0.000 2.031) 4.400 29.984 ( -16.835 0.000 -0.579) 16.845 30.133 ( -11.554 0.000 -8.861) 14.561 30.542 ( 1.336 0.000 -4.040) 4.256 30.598 ( 6.219 0.000 -8.013) 10.143 30.715 ( -14.882 0.000 -0.301) 14.885 30.980 ( -0.581 0.000 -6.167) 6.194 31.382 ( 4.672 0.000 -7.822) 9.111 31.445 ( -11.213 0.000 0.979) 11.256 31.784 ( 3.590 0.000 -3.317) 4.887 32.248 ( 0.733 0.000 9.909) 9.936 32.526 ( -2.954 0.000 3.834) 4.840 32.939 ( -2.962 0.000 -0.790) 3.066 33.031 ( -1.106 0.000 -6.241) 6.338 34.621 ( 11.995 0.000 3.782) 12.577 34.676 ( 5.979 0.000 2.230) 6.381 35.069 ( 1.156 0.000 1.544) 1.929 35.109 ( 24.718 0.000 2.382) 24.832 35.353 ( 22.103 0.000 0.445) 22.107 35.596 ( -2.236 0.000 0.518) 2.295 35.784 ( 8.680 0.000 -4.301) 9.687 36.051 ( 7.308 0.000 -4.301) 8.480 37.358 ( -9.114 0.000 4.902) 10.349 37.442 ( -9.302 0.000 3.435) 9.916 37.877 ( -8.976 0.000 1.228) 9.059 37.877 ( -4.719 0.000 -5.456) 7.214 46.701 ( 1.663 0.000 6.114) 6.336 46.836 ( 0.016 0.000 3.168) 3.168 46.925 ( -1.645 0.000 7.513) 7.691 47.013 ( -1.838 0.000 5.067) 5.390 48.015 ( 1.681 0.000 -2.336) 2.878 48.136 ( 0.682 0.000 -5.468) 5.510 48.211 ( -0.818 0.000 -4.974) 5.041 48.272 ( -0.837 0.000 -1.918) 2.093 49.703 ( 0.297 0.000 0.601) 0.671 49.786 ( -0.236 0.000 -0.215) 0.320 49.877 ( -1.027 0.000 3.611) 3.755 50.158 ( 0.395 0.000 -3.039) 3.064 72.758 ( 0.349 0.000 7.514) 7.522 72.817 ( 0.930 0.000 9.643) 9.688 72.823 ( -0.451 0.000 12.612) 12.620 74.006 ( -74.283 0.000 78.368) 107.979 75.189 ( 3.206 0.000 -14.853) 15.195 75.573 ( -1.330 0.000 -9.197) 9.293 76.205 ( 1.293 0.000 6.868) 6.989 76.255 ( 4.248 0.000 -12.482) 13.185 76.653 ( -5.978 0.000 8.612) 10.483 77.070 ( -4.000 0.000 -13.607) 14.183 77.215 ( 5.560 0.000 -3.350) 6.492 77.645 ( -1.528 0.000 0.824) 1.736 77.954 ( 3.839 0.000 2.182) 4.416 78.450 ( -1.407 0.000 6.823) 6.966 79.897 ( 11.362 0.000 -9.765) 14.981 81.519 ( 56.098 0.000 -99.050) 113.832 85.099 ( -9.364 0.000 -1.293) 9.453 85.204 ( -10.600 0.000 3.639) 11.208 85.915 ( 8.103 0.000 -2.528) 8.489 85.964 ( 13.734 0.000 -0.513) 13.743 86.177 ( 8.690 0.000 0.063) 8.691 86.386 ( 1.849 0.000 -12.055) 12.196 87.253 ( -7.188 0.000 23.685) 24.752 87.695 ( -33.800 0.000 39.051) 51.647 102.708 ( 1.369 0.000 0.300) 1.401 102.739 ( 1.511 0.000 1.146) 1.896 102.861 ( 1.360 0.000 -1.199) 1.812 102.960 ( -1.202 0.000 0.713) 1.397 103.001 ( -1.892 0.000 0.439) 1.943 103.017 ( -0.093 0.000 -0.117) 0.150 103.144 ( 1.671 0.000 0.332) 1.704 103.608 ( 5.182 0.000 -14.985) 15.856 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 25.607 0.000 2.218) 25.703 1.121 ( 21.566 0.000 8.489) 23.177 1.672 ( 24.324 0.000 18.999) 30.864 1.878 ( 2.655 0.000 0.313) 2.673 2.036 ( 3.254 0.000 5.598) 6.475 2.079 ( -5.968 0.000 1.667) 6.196 2.134 ( -9.969 0.000 -1.093) 10.029 2.227 ( -9.346 0.000 -1.018) 9.402 2.323 ( -11.289 0.000 5.645) 12.622 2.391 ( -9.509 0.000 4.149) 10.375 2.456 ( -14.973 0.000 4.124) 15.531 2.683 ( -12.037 0.000 -0.235) 12.040 3.482 ( 13.586 0.000 -5.936) 14.826 3.523 ( 8.319 0.000 -1.526) 8.458 3.697 ( -1.639 0.000 -3.982) 4.306 3.826 ( 6.303 0.000 1.391) 6.454 3.831 ( -1.022 0.000 -10.940) 10.988 4.147 ( -3.253 0.000 -4.311) 5.401 4.205 ( -4.007 0.000 -2.476) 4.710 4.214 ( 1.269 0.000 1.868) 2.258 4.312 ( -4.542 0.000 -4.219) 6.199 4.339 ( 0.777 0.000 -0.856) 1.156 4.374 ( -8.596 0.000 -3.084) 9.132 4.415 ( 6.594 0.000 0.277) 6.600 4.743 ( -10.385 0.000 2.550) 10.693 4.802 ( 0.027 0.000 -2.489) 2.489 4.890 ( 3.320 0.000 3.429) 4.773 5.003 ( 5.747 0.000 2.775) 6.382 5.097 ( 3.692 0.000 3.385) 5.009 5.153 ( 1.763 0.000 -1.320) 2.203 5.237 ( -2.184 0.000 -0.726) 2.301 5.286 ( -9.890 0.000 -6.376) 11.767 5.380 ( -0.613 0.000 4.224) 4.268 5.511 ( 3.623 0.000 -1.764) 4.030 5.683 ( -7.240 0.000 -1.510) 7.395 5.705 ( -0.883 0.000 1.765) 1.973 5.834 ( 3.386 0.000 -5.505) 6.463 6.013 ( 1.180 0.000 0.073) 1.182 6.060 ( 7.751 0.000 0.235) 7.755 6.129 ( -2.351 0.000 -0.069) 2.352 6.345 ( -1.102 0.000 3.397) 3.571 6.370 ( -5.170 0.000 2.147) 5.598 6.458 ( 1.800 0.000 -1.813) 2.555 6.828 ( -10.146 0.000 -1.412) 10.243 7.102 ( 5.148 0.000 -0.745) 5.202 7.487 ( -3.254 0.000 -2.370) 4.025 7.511 ( 4.047 0.000 -1.422) 4.289 7.651 ( 1.781 0.000 0.682) 1.907 7.666 ( 0.723 0.000 -0.174) 0.743 7.684 ( 0.958 0.000 0.474) 1.069 7.714 ( -2.489 0.000 2.529) 3.548 7.913 ( -2.341 0.000 -0.573) 2.410 8.045 ( 8.126 0.000 6.564) 10.446 8.418 ( -9.394 0.000 15.840) 18.416 8.941 ( 5.268 0.000 -4.786) 7.118 9.309 ( -5.623 0.000 -4.968) 7.503 9.350 ( 3.491 0.000 2.826) 4.491 9.647 ( -5.075 0.000 5.007) 7.129 10.009 ( 2.396 0.000 5.140) 5.671 10.273 ( -8.622 0.000 7.223) 11.247 10.280 ( -0.346 0.000 -0.894) 0.959 10.338 ( -2.059 0.000 1.711) 2.677 10.949 ( 2.363 0.000 -1.019) 2.573 11.013 ( 0.869 0.000 -2.972) 3.097 11.014 ( 3.958 0.000 2.225) 4.540 11.214 ( -2.653 0.000 -5.565) 6.165 11.399 ( 5.941 0.000 1.608) 6.155 11.462 ( 3.755 0.000 1.389) 4.004 11.898 ( 4.936 0.000 2.692) 5.622 12.136 ( -3.412 0.000 3.100) 4.610 12.479 ( 6.960 0.000 -1.064) 7.041 12.962 ( -6.846 0.000 -7.638) 10.257 19.784 ( 6.764 0.000 -2.234) 7.123 19.867 ( 7.517 0.000 -1.630) 7.692 20.257 ( -7.170 0.000 -4.579) 8.507 20.386 ( -7.646 0.000 -3.115) 8.256 21.644 ( 5.636 0.000 1.492) 5.830 21.742 ( 5.053 0.000 4.885) 7.028 21.917 ( 9.721 0.000 2.591) 10.061 22.047 ( -3.952 0.000 -1.032) 4.084 22.093 ( -4.845 0.000 -0.784) 4.908 22.168 ( 13.151 0.000 0.388) 13.157 22.640 ( -8.707 0.000 2.990) 9.206 22.989 ( -11.441 0.000 -2.826) 11.785 23.682 ( 19.138 0.000 1.364) 19.186 24.494 ( 13.046 0.000 -7.916) 15.260 24.931 ( -17.043 0.000 9.083) 19.312 25.531 ( -21.097 0.000 -7.331) 22.334 25.861 ( 2.583 0.000 4.432) 5.130 26.006 ( -1.470 0.000 9.815) 9.925 26.418 ( 2.584 0.000 4.856) 5.501 26.830 ( -11.336 0.000 12.104) 16.583 27.017 ( 3.690 0.000 -3.760) 5.268 27.161 ( 0.178 0.000 1.187) 1.200 27.651 ( -0.486 0.000 0.115) 0.499 27.908 ( -7.922 0.000 -0.523) 7.940 28.317 ( 19.600 0.000 1.333) 19.646 28.479 ( 21.560 0.000 -9.497) 23.559 29.541 ( 7.745 0.000 1.880) 7.970 29.645 ( -18.653 0.000 -5.081) 19.333 29.792 ( -22.891 0.000 -5.521) 23.548 30.364 ( -18.421 0.000 0.522) 18.428 30.619 ( 4.438 0.000 -5.669) 7.200 30.673 ( 3.307 0.000 -1.178) 3.511 30.931 ( -4.028 0.000 -7.337) 8.370 31.180 ( -13.732 0.000 2.167) 13.902 31.522 ( 7.661 0.000 -5.864) 9.647 31.836 ( 0.565 0.000 -4.814) 4.847 32.287 ( 4.843 0.000 7.694) 9.091 32.511 ( 2.010 0.000 3.408) 3.957 32.856 ( -5.565 0.000 -0.199) 5.568 32.917 ( -9.591 0.000 -3.375) 10.167 34.849 ( 9.971 0.000 1.270) 10.051 34.919 ( 16.932 0.000 3.228) 17.237 35.091 ( 0.677 0.000 0.812) 1.058 35.518 ( -2.889 0.000 -0.729) 2.980 35.674 ( 28.495 0.000 2.909) 28.643 35.830 ( 24.990 0.000 0.483) 24.994 36.080 ( 23.057 0.000 -3.115) 23.266 36.279 ( 16.859 0.000 -3.228) 17.165 37.104 ( -16.900 0.000 4.640) 17.526 37.184 ( -17.290 0.000 3.099) 17.566 37.619 ( -17.636 0.000 0.884) 17.658 37.644 ( -18.497 0.000 -3.308) 18.790 46.747 ( 3.044 0.000 5.977) 6.707 46.842 ( 0.576 0.000 3.568) 3.614 46.899 ( -1.201 0.000 6.532) 6.641 46.963 ( -3.262 0.000 5.255) 6.185 48.053 ( 2.206 0.000 -2.482) 3.321 48.155 ( 1.272 0.000 -4.879) 5.042 48.186 ( -1.767 0.000 -4.240) 4.593 48.249 ( -1.468 0.000 -2.417) 2.828 49.711 ( 0.699 0.000 0.910) 1.147 49.779 ( -0.796 0.000 0.423) 0.901 49.900 ( 2.964 0.000 1.122) 3.169 50.129 ( -2.935 0.000 -1.952) 3.525 72.768 ( 0.619 0.000 8.166) 8.189 72.811 ( -0.714 0.000 11.661) 11.683 72.844 ( 1.972 0.000 11.934) 12.096 73.227 ( -19.804 0.000 44.085) 48.329 75.271 ( 5.020 0.000 -14.724) 15.556 75.533 ( -2.830 0.000 -10.902) 11.264 76.244 ( 2.726 0.000 7.943) 8.398 76.372 ( 7.773 0.000 -11.768) 14.104 76.526 ( -6.704 0.000 8.962) 11.192 76.941 ( -8.757 0.000 -11.853) 14.737 77.332 ( 6.166 0.000 -2.412) 6.621 77.602 ( -2.912 0.000 0.177) 2.917 78.055 ( 6.237 0.000 1.290) 6.369 78.397 ( -3.899 0.000 4.573) 6.009 80.192 ( 19.867 0.000 -10.530) 22.485 81.762 ( -16.281 0.000 -61.926) 64.030 84.925 ( -7.119 0.000 2.060) 7.411 85.021 ( -8.343 0.000 3.590) 9.082 86.086 ( 8.863 0.000 -3.810) 9.647 86.191 ( 8.719 0.000 -3.438) 9.373 86.328 ( 5.396 0.000 -2.041) 5.769 86.443 ( 3.225 0.000 -6.922) 7.636 87.077 ( -5.909 0.000 23.702) 24.428 87.352 ( -8.469 0.000 26.013) 27.356 102.746 ( 2.441 0.000 0.210) 2.450 102.780 ( 2.694 0.000 0.982) 2.867 102.885 ( 0.212 0.000 -1.602) 1.616 102.938 ( -0.290 0.000 1.136) 1.172 102.957 ( -2.659 0.000 0.546) 2.715 103.010 ( -0.613 0.000 -0.207) 0.647 103.211 ( 4.865 0.000 -1.271) 5.029 103.590 ( -5.089 0.000 -9.579) 10.847 ======================= Grid point 38 (16/60) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 19.404 0.000 4.508) 19.921 1.541 ( 24.078 0.000 -0.048) 24.078 1.857 ( -15.511 0.000 2.634) 15.734 1.952 ( -6.884 0.000 1.227) 6.993 1.972 ( -4.668 0.000 0.820) 4.739 2.039 ( -0.629 0.000 0.496) 0.801 2.060 ( 10.788 0.000 9.803) 14.577 2.085 ( -5.168 0.000 1.570) 5.401 2.148 ( 0.181 0.000 7.941) 7.943 2.171 ( -5.012 0.000 8.434) 9.811 2.311 ( -3.273 0.000 4.250) 5.364 2.445 ( -12.568 0.000 1.361) 12.641 3.578 ( 3.039 0.000 -2.533) 3.956 3.635 ( -2.971 0.000 -3.452) 4.554 3.840 ( 16.270 0.000 -5.755) 17.258 3.873 ( 6.715 0.000 -8.274) 10.656 3.963 ( 6.731 0.000 -5.331) 8.587 4.064 ( -5.778 0.000 -6.816) 8.936 4.077 ( -12.672 0.000 -5.523) 13.824 4.097 ( -7.644 0.000 -5.121) 9.201 4.244 ( -0.467 0.000 -2.026) 2.079 4.270 ( -2.550 0.000 -2.172) 3.350 4.384 ( 4.313 0.000 3.592) 5.613 4.528 ( -10.595 0.000 4.864) 11.658 4.613 ( 10.327 0.000 1.321) 10.411 4.766 ( -4.892 0.000 -0.455) 4.914 4.959 ( 5.040 0.000 2.009) 5.426 5.095 ( -8.792 0.000 -2.642) 9.180 5.141 ( 1.874 0.000 -1.312) 2.287 5.189 ( -2.161 0.000 0.341) 2.188 5.206 ( 13.391 0.000 2.193) 13.570 5.219 ( 4.433 0.000 4.913) 6.618 5.318 ( -5.021 0.000 6.165) 7.951 5.476 ( -13.441 0.000 0.689) 13.459 5.611 ( 6.184 0.000 -2.393) 6.631 5.740 ( -4.295 0.000 0.298) 4.305 5.764 ( 3.325 0.000 0.254) 3.334 5.933 ( -10.449 0.000 1.278) 10.527 6.209 ( 7.073 0.000 0.187) 7.076 6.215 ( 10.100 0.000 -4.318) 10.984 6.310 ( -3.219 0.000 1.645) 3.615 6.341 ( -2.297 0.000 -1.625) 2.813 6.515 ( 4.486 0.000 -1.575) 4.755 6.642 ( -8.616 0.000 -1.219) 8.702 7.215 ( 6.587 0.000 1.228) 6.700 7.360 ( -8.210 0.000 1.274) 8.308 7.579 ( 3.154 0.000 -1.132) 3.351 7.632 ( -2.368 0.000 -1.043) 2.587 7.672 ( 0.579 0.000 0.839) 1.019 7.683 ( -0.837 0.000 1.538) 1.751 7.762 ( 4.722 0.000 0.243) 4.728 7.849 ( -4.115 0.000 -0.163) 4.118 8.182 ( 5.952 0.000 7.142) 9.297 8.285 ( -5.358 0.000 10.431) 11.727 9.060 ( 6.654 0.000 -6.504) 9.305 9.189 ( -6.646 0.000 -6.365) 9.202 9.434 ( 5.086 0.000 4.059) 6.507 9.540 ( -5.765 0.000 4.745) 7.466 10.064 ( 3.435 0.000 5.850) 6.784 10.145 ( -5.124 0.000 6.414) 8.210 10.283 ( 0.640 0.000 0.061) 0.643 10.303 ( -1.470 0.000 1.138) 1.860 10.994 ( 2.078 0.000 -1.917) 2.827 11.020 ( -0.443 0.000 -2.589) 2.627 11.092 ( 3.883 0.000 -1.176) 4.057 11.159 ( -3.120 0.000 -3.635) 4.791 11.487 ( 2.987 0.000 0.379) 3.011 11.508 ( 0.756 0.000 0.804) 1.103 11.991 ( 4.556 0.000 2.175) 5.049 12.070 ( -3.674 0.000 2.414) 4.396 12.630 ( 8.617 0.000 -2.533) 8.982 12.803 ( -9.044 0.000 -4.414) 10.064 19.934 ( 8.502 0.000 -2.765) 8.940 20.033 ( 9.435 0.000 -2.203) 9.689 20.102 ( -8.677 0.000 -3.552) 9.376 20.218 ( -9.473 0.000 -2.615) 9.827 21.770 ( 7.169 0.000 -0.548) 7.190 21.855 ( 6.462 0.000 3.150) 7.189 21.908 ( -6.759 0.000 -1.170) 6.859 21.982 ( -6.458 0.000 1.242) 6.577 22.176 ( 13.221 0.000 3.279) 13.622 22.417 ( -3.394 0.000 2.386) 4.148 22.461 ( 6.049 0.000 1.320) 6.192 22.736 ( -14.412 0.000 -1.732) 14.516 24.101 ( 23.526 0.000 1.581) 23.579 24.540 ( -20.113 0.000 3.289) 20.380 24.792 ( 14.287 0.000 -4.865) 15.093 25.127 ( -19.721 0.000 -5.097) 20.369 25.914 ( 2.864 0.000 5.849) 6.513 25.967 ( -2.531 0.000 7.584) 7.995 26.491 ( 5.287 0.000 7.217) 8.947 26.628 ( -8.986 0.000 10.132) 13.543 27.092 ( 3.774 0.000 -3.100) 4.884 27.148 ( -1.777 0.000 -1.277) 2.188 27.669 ( 2.637 0.000 0.809) 2.758 27.759 ( -6.655 0.000 0.784) 6.701 28.766 ( 26.087 0.000 -0.938) 26.104 28.887 ( 20.642 0.000 -9.142) 22.575 29.274 ( -19.694 0.000 -7.834) 21.195 29.290 ( -27.574 0.000 -3.198) 27.759 29.738 ( 12.300 0.000 1.908) 12.447 30.019 ( -16.699 0.000 1.497) 16.766 30.723 ( 5.917 0.000 -6.876) 9.071 30.763 ( 6.616 0.000 2.131) 6.951 30.836 ( -5.624 0.000 -7.368) 9.269 30.936 ( -11.176 0.000 2.910) 11.549 31.667 ( 7.139 0.000 -4.497) 8.437 31.788 ( -5.034 0.000 -4.327) 6.638 32.454 ( 11.646 0.000 3.352) 12.119 32.597 ( 6.344 0.000 2.189) 6.711 32.696 ( -12.717 0.000 -0.241) 12.720 32.732 ( -7.120 0.000 0.847) 7.171 35.007 ( 6.026 0.000 0.328) 6.035 35.082 ( -1.926 0.000 0.273) 1.945 35.211 ( 12.716 0.000 1.751) 12.836 35.406 ( -7.778 0.000 0.403) 7.789 36.221 ( 26.708 0.000 2.175) 26.797 36.302 ( 24.579 0.000 0.462) 24.583 36.597 ( 22.516 0.000 -3.864) 22.845 36.639 ( 1.353 0.000 -2.236) 2.613 36.777 ( 1.257 0.000 4.561) 4.731 36.813 ( -15.290 0.000 4.254) 15.870 37.200 ( -26.717 0.000 -1.303) 26.749 37.210 ( -24.322 0.000 0.497) 24.327 46.815 ( 3.882 0.000 5.765) 6.950 46.857 ( 0.923 0.000 4.329) 4.427 46.877 ( -1.102 0.000 5.365) 5.477 46.892 ( -3.979 0.000 5.508) 6.795 48.098 ( 2.486 0.000 -2.885) 3.808 48.145 ( -2.339 0.000 -3.508) 4.216 48.184 ( 1.665 0.000 -4.052) 4.381 48.217 ( -1.753 0.000 -3.172) 3.624 49.731 ( 1.279 0.000 0.896) 1.562 49.757 ( -1.353 0.000 0.809) 1.576 49.974 ( 4.334 0.000 -0.321) 4.346 50.058 ( -4.245 0.000 -1.118) 4.390 72.781 ( 0.767 0.000 9.182) 9.214 72.796 ( -0.799 0.000 10.421) 10.451 72.896 ( 3.530 0.000 16.459) 16.834 72.993 ( -7.224 0.000 25.262) 26.275 75.372 ( 5.205 0.000 -14.104) 15.034 75.464 ( -4.283 0.000 -12.770) 13.470 76.311 ( 4.229 0.000 8.960) 9.908 76.406 ( -5.656 0.000 9.318) 10.900 76.547 ( 10.145 0.000 -11.174) 15.092 76.750 ( -10.623 0.000 -11.087) 15.355 77.443 ( 5.273 0.000 -1.571) 5.502 77.534 ( -4.135 0.000 -0.681) 4.191 78.182 ( 6.728 0.000 1.190) 6.832 78.304 ( -5.720 0.000 2.268) 6.153 80.660 ( 28.415 0.000 -17.437) 33.339 81.252 ( -31.545 0.000 -32.680) 45.421 84.849 ( -0.707 0.000 3.479) 3.551 84.891 ( -4.815 0.000 3.713) 6.080 86.231 ( 5.641 0.000 -4.709) 7.348 86.282 ( 0.753 0.000 -4.753) 4.812 86.403 ( 3.178 0.000 -2.093) 3.806 86.455 ( -1.794 0.000 -1.277) 2.202 87.088 ( 5.248 0.000 15.764) 16.614 87.213 ( -6.940 0.000 17.572) 18.892 102.799 ( 2.956 0.000 0.017) 2.957 102.838 ( 3.228 0.000 0.826) 3.332 102.854 ( -2.664 0.000 -0.438) 2.700 102.900 ( -3.152 0.000 0.673) 3.223 102.960 ( 1.813 0.000 0.060) 1.814 102.992 ( -1.340 0.000 -0.223) 1.358 103.324 ( 6.716 0.000 -2.968) 7.342 103.462 ( -7.383 0.000 -5.461) 9.183 ======================= Grid point 42 (17/60) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.000 16.539 11.869) 20.357 0.781 ( 0.000 19.813 14.650) 24.641 1.281 ( 0.000 23.038 26.030) 34.761 1.589 ( 0.000 -18.324 0.908) 18.347 1.835 ( 0.000 -8.013 4.526) 9.203 2.263 ( 0.000 2.968 0.584) 3.025 2.350 ( 0.000 -0.735 -1.093) 1.317 2.479 ( 0.000 -8.465 -1.438) 8.586 2.508 ( 0.000 0.467 4.365) 4.390 2.565 ( 0.000 -1.123 2.355) 2.609 2.950 ( 0.000 0.563 -0.611) 0.831 3.021 ( 0.000 -2.246 -0.527) 2.307 3.199 ( 0.000 9.876 -2.515) 10.192 3.384 ( 0.000 5.143 5.962) 7.874 3.583 ( 0.000 -2.972 3.405) 4.520 3.726 ( 0.000 -4.297 3.851) 5.770 3.800 ( 0.000 -0.375 -2.907) 2.931 3.976 ( 0.000 7.513 3.986) 8.505 4.143 ( 0.000 -6.928 -2.566) 7.388 4.313 ( 0.000 2.303 -2.880) 3.687 4.386 ( 0.000 -1.682 -2.018) 2.627 4.405 ( 0.000 2.714 -3.765) 4.641 4.477 ( 0.000 -0.912 -2.985) 3.121 4.771 ( 0.000 -3.955 -3.197) 5.086 4.798 ( 0.000 1.007 1.509) 1.814 4.818 ( 0.000 0.426 -3.481) 3.507 4.842 ( 0.000 -0.504 -5.466) 5.489 4.947 ( 0.000 -1.701 0.532) 1.783 5.037 ( 0.000 -1.224 -2.567) 2.844 5.137 ( 0.000 -0.927 -1.985) 2.191 5.189 ( 0.000 3.102 -9.894) 10.369 5.261 ( 0.000 -7.443 -2.789) 7.949 5.381 ( 0.000 -0.492 -5.999) 6.019 5.416 ( 0.000 1.229 5.464) 5.600 5.617 ( 0.000 4.631 -4.008) 6.124 5.732 ( 0.000 -5.393 6.172) 8.196 5.780 ( 0.000 -3.197 -2.368) 3.978 5.809 ( 0.000 -3.210 -3.185) 4.522 6.023 ( 0.000 -1.414 1.857) 2.334 6.201 ( 0.000 -1.701 0.619) 1.810 6.405 ( 0.000 7.560 8.288) 11.218 6.528 ( 0.000 5.807 -2.513) 6.327 6.798 ( 0.000 6.755 -6.497) 9.372 6.989 ( 0.000 -3.368 -2.566) 4.234 7.160 ( 0.000 1.368 3.907) 4.139 7.173 ( 0.000 0.429 9.407) 9.417 7.384 ( 0.000 2.836 -1.295) 3.117 7.591 ( 0.000 -6.760 0.964) 6.829 7.641 ( 0.000 1.399 1.777) 2.261 7.678 ( 0.000 0.877 3.761) 3.862 7.764 ( 0.000 1.232 1.905) 2.269 7.876 ( 0.000 -1.264 6.044) 6.175 8.052 ( 0.000 17.375 -1.611) 17.450 8.723 ( 0.000 -1.363 -2.575) 2.913 8.889 ( 0.000 -5.598 1.466) 5.787 9.240 ( 0.000 -16.777 -1.769) 16.870 9.400 ( 0.000 7.882 0.871) 7.930 9.735 ( 0.000 0.597 7.477) 7.500 9.873 ( 0.000 -8.337 3.123) 8.902 10.058 ( 0.000 -12.937 3.824) 13.490 10.468 ( 0.000 2.335 -3.047) 3.839 10.510 ( 0.000 -6.590 -4.348) 7.895 10.982 ( 0.000 1.423 -9.336) 9.444 10.998 ( 0.000 -0.413 -4.812) 4.830 11.200 ( 0.000 4.713 5.184) 7.006 11.327 ( 0.000 9.583 4.939) 10.781 11.380 ( 0.000 3.276 0.530) 3.319 11.542 ( 0.000 -5.076 -1.934) 5.432 11.946 ( 0.000 17.801 -7.575) 19.346 12.242 ( 0.000 0.469 1.215) 1.302 12.561 ( 0.000 -4.627 6.691) 8.135 12.636 ( 0.000 -3.712 -3.551) 5.136 19.654 ( 0.000 0.787 -1.744) 1.913 19.705 ( 0.000 -1.244 -0.546) 1.358 20.426 ( 0.000 1.500 -5.897) 6.085 20.514 ( 0.000 -1.624 -5.042) 5.297 21.546 ( 0.000 1.203 5.592) 5.720 21.620 ( 0.000 -1.861 6.205) 6.478 21.736 ( 0.000 2.852 1.109) 3.061 21.919 ( 0.000 -1.352 -2.790) 3.100 22.138 ( 0.000 0.305 0.394) 0.498 22.150 ( 0.000 -0.123 -0.421) 0.439 22.863 ( 0.000 5.067 0.775) 5.126 23.181 ( 0.000 -5.238 -1.215) 5.377 23.407 ( 0.000 10.466 -0.042) 10.466 23.950 ( 0.000 -8.679 -3.494) 9.356 25.324 ( 0.000 -6.671 10.963) 12.834 25.788 ( 0.000 -13.889 -9.590) 16.878 25.886 ( 0.000 5.551 2.864) 6.246 26.228 ( 0.000 -7.829 4.239) 8.903 26.334 ( 0.000 8.466 13.341) 15.800 26.665 ( 0.000 -6.157 22.713) 23.532 27.070 ( 0.000 9.966 -3.371) 10.521 27.348 ( 0.000 15.147 4.013) 15.669 27.600 ( 0.000 -10.606 -2.262) 10.844 27.849 ( 0.000 4.110 -1.349) 4.326 27.998 ( 0.000 -1.140 -2.649) 2.884 28.047 ( 0.000 -9.900 3.325) 10.443 29.505 ( 0.000 7.983 -0.228) 7.986 30.010 ( 0.000 -13.439 -4.347) 14.125 30.188 ( 0.000 -2.579 -0.093) 2.580 30.309 ( 0.000 -1.472 -1.273) 1.947 30.752 ( 0.000 13.032 -5.998) 14.346 30.906 ( 0.000 -1.062 -5.057) 5.167 30.911 ( 0.000 -1.561 -0.751) 1.732 31.236 ( 0.000 -6.203 -9.470) 11.321 31.637 ( 0.000 3.839 -0.692) 3.901 31.743 ( 0.000 0.393 -3.946) 3.965 32.247 ( 0.000 1.644 11.038) 11.160 32.495 ( 0.000 -6.106 4.935) 7.851 32.994 ( 0.000 0.456 -0.793) 0.915 33.015 ( 0.000 0.771 -2.787) 2.892 34.509 ( 0.000 0.378 3.315) 3.336 34.595 ( 0.000 -2.769 2.690) 3.860 34.870 ( 0.000 3.009 1.770) 3.491 35.061 ( 0.000 -3.459 -0.164) 3.463 35.145 ( 0.000 7.049 2.679) 7.541 35.534 ( 0.000 -6.947 1.175) 7.045 35.760 ( 0.000 4.341 -4.409) 6.187 35.955 ( 0.000 -2.605 -4.545) 5.238 37.456 ( 0.000 0.854 4.746) 4.822 37.518 ( 0.000 -1.295 3.817) 4.030 37.914 ( 0.000 3.713 0.580) 3.758 38.031 ( 0.000 1.182 -2.540) 2.802 46.714 ( 0.000 2.453 6.139) 6.611 46.838 ( 0.000 -0.484 3.546) 3.579 46.903 ( 0.000 -1.979 7.284) 7.548 46.990 ( 0.000 -3.146 4.711) 5.665 48.053 ( 0.000 4.713 -1.623) 4.984 48.146 ( 0.000 1.163 -5.577) 5.697 48.207 ( 0.000 -0.864 -5.289) 5.359 48.270 ( 0.000 -2.302 -2.660) 3.518 49.713 ( 0.000 1.309 0.458) 1.386 49.806 ( 0.000 -1.452 0.504) 1.537 49.869 ( 0.000 1.580 2.763) 3.183 50.078 ( 0.000 -3.736 -0.157) 3.739 72.756 ( 0.000 0.193 7.297) 7.299 72.792 ( 0.000 -1.204 8.488) 8.573 72.854 ( 0.000 2.544 14.953) 15.168 73.363 ( 0.000 -36.804 47.023) 59.713 75.725 ( 0.000 14.812 -12.717) 19.522 76.086 ( 0.000 4.975 -10.561) 11.674 76.149 ( 0.000 -3.739 -14.142) 14.628 76.764 ( 0.000 -15.606 -14.243) 21.129 76.774 ( 0.000 5.002 10.183) 11.346 77.327 ( 0.000 -9.054 2.366) 9.358 77.422 ( 0.000 1.168 2.471) 2.733 77.809 ( 0.000 -2.741 -5.562) 6.201 78.419 ( 0.000 49.681 -60.175) 78.033 78.659 ( 0.000 15.596 -2.187) 15.749 79.541 ( 0.000 -0.970 -12.356) 12.394 79.912 ( 0.000 -14.344 -1.753) 14.450 85.318 ( 0.000 9.150 -3.450) 9.779 85.599 ( 0.000 9.148 -15.820) 18.274 85.784 ( 0.000 -1.688 -4.952) 5.232 85.795 ( 0.000 2.287 1.138) 2.554 86.150 ( 0.000 4.303 1.969) 4.732 86.333 ( 0.000 -3.102 -11.694) 12.099 87.303 ( 0.000 -0.438 26.159) 26.163 87.675 ( 0.000 -27.409 39.828) 48.348 102.699 ( 0.000 0.365 0.451) 0.580 102.720 ( 0.000 -0.361 1.075) 1.134 102.975 ( 0.000 0.772 -0.045) 0.773 103.012 ( 0.000 -0.611 0.201) 0.643 103.028 ( 0.000 0.875 -0.087) 0.879 103.057 ( 0.000 2.183 -3.387) 4.029 103.280 ( 0.000 8.835 -12.429) 15.249 103.429 ( 0.000 -0.627 -5.558) 5.593 ======================= Grid point 43 (18/60) ======================= q-point: ( 0.14 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 4.406 9.625 17.222) 20.215 0.889 ( 14.703 16.028 11.394) 24.554 1.455 ( 8.883 -0.179 8.613) 12.375 1.649 ( 8.187 -6.701 5.828) 12.079 1.848 ( 3.370 -2.390 9.315) 10.190 2.230 ( -3.566 3.103 1.077) 4.848 2.297 ( -5.493 -0.216 -0.649) 5.536 2.439 ( -4.144 -1.232 0.233) 4.330 2.480 ( -3.363 -0.545 3.361) 4.786 2.517 ( -4.754 -0.050 1.934) 5.132 2.779 ( -14.935 -1.451 1.622) 15.093 2.851 ( -12.208 -3.171 0.298) 12.617 3.333 ( 10.771 9.656 -3.754) 14.945 3.450 ( 6.767 3.510 1.393) 7.749 3.655 ( 3.559 0.018 0.748) 3.637 3.760 ( 2.111 -2.556 1.592) 3.678 3.856 ( 3.348 0.705 -3.858) 5.157 4.012 ( 5.043 1.064 2.621) 5.782 4.151 ( 0.471 -6.739 -2.239) 7.116 4.298 ( -0.549 2.016 -2.097) 2.961 4.361 ( -3.890 -5.019 2.100) 6.688 4.415 ( -1.199 -1.277 -4.309) 4.652 4.425 ( -1.998 6.739 -6.012) 9.249 4.569 ( -11.046 4.562 -3.831) 12.550 4.805 ( 0.159 2.303 -0.715) 2.417 4.864 ( 1.771 -0.034 -4.555) 4.888 4.886 ( -0.240 -4.018 2.471) 4.723 4.952 ( 2.876 -1.731 -1.480) 3.669 5.043 ( -3.846 0.784 0.507) 3.958 5.115 ( 0.066 2.587 -1.456) 2.969 5.186 ( 0.607 -5.226 -6.482) 8.348 5.281 ( 1.200 -5.768 -1.218) 6.016 5.363 ( -2.555 -1.506 -5.054) 5.860 5.437 ( 2.803 -1.568 3.072) 4.444 5.667 ( 1.111 0.919 -2.301) 2.715 5.688 ( 0.059 -3.139 3.164) 4.457 5.770 ( -0.666 -3.003 -1.205) 3.304 5.863 ( 3.276 -3.577 -1.311) 5.024 6.039 ( 1.392 -0.687 0.924) 1.806 6.203 ( 0.305 0.601 -0.477) 0.826 6.357 ( -4.536 4.898 5.705) 8.781 6.494 ( -1.470 4.038 -0.650) 4.346 6.701 ( -9.126 8.325 -2.463) 12.596 6.966 ( -4.484 -3.184 -3.233) 6.379 7.079 ( -1.712 3.063 3.625) 5.045 7.315 ( 8.508 -7.711 5.480) 12.723 7.460 ( 5.447 3.103 -1.934) 6.561 7.612 ( -0.180 0.514 -0.303) 0.623 7.657 ( -0.490 1.011 0.560) 1.256 7.673 ( 2.661 -3.724 3.076) 5.514 7.754 ( -0.342 1.779 0.857) 2.003 7.901 ( 2.769 -2.599 4.415) 5.824 8.058 ( 0.992 18.250 1.055) 18.308 8.723 ( -1.277 2.252 -0.004) 2.589 8.866 ( -0.924 -2.126 -0.840) 2.465 9.222 ( -1.945 -16.324 -2.370) 16.609 9.405 ( 0.679 7.904 1.318) 8.042 9.715 ( -2.024 1.129 7.423) 7.777 9.874 ( 0.161 -9.068 3.142) 9.598 10.053 ( -0.536 -11.696 5.053) 12.752 10.445 ( -2.240 2.700 -2.337) 4.216 10.525 ( 1.286 -7.643 -3.812) 8.637 10.742 ( -18.795 4.602 1.318) 19.394 10.912 ( -7.119 -4.084 -3.347) 8.864 11.259 ( 4.448 6.941 1.535) 8.386 11.358 ( 2.831 8.255 3.660) 9.463 11.406 ( 2.462 3.602 -0.324) 4.375 11.500 ( -0.739 1.483 -1.234) 2.066 11.969 ( 3.036 16.475 -2.104) 16.884 12.252 ( -1.038 3.687 2.976) 4.850 12.378 ( -1.851 -0.026 3.073) 3.588 12.853 ( 5.229 -12.118 -6.800) 14.847 19.692 ( 3.896 0.893 -1.889) 4.421 19.743 ( 4.031 -0.991 -1.041) 4.280 20.385 ( -4.075 1.533 -5.429) 6.959 20.478 ( -3.921 -1.798 -4.386) 6.151 21.574 ( 2.908 1.129 4.269) 5.287 21.645 ( 2.692 -1.668 5.401) 6.261 21.797 ( 6.136 3.218 1.779) 7.153 21.965 ( 5.687 -0.902 0.686) 5.799 22.122 ( -2.434 -0.044 -0.581) 2.502 22.146 ( -0.828 -0.706 -1.923) 2.209 22.820 ( -4.495 4.821 1.377) 6.734 23.113 ( -6.562 -4.792 -1.176) 8.210 23.503 ( 9.927 9.783 0.252) 13.940 24.091 ( 11.833 -11.971 -5.926) 17.845 25.201 ( -10.564 0.248 8.387) 13.491 25.692 ( -10.500 -13.383 -8.215) 18.890 25.895 ( 1.377 6.040 3.083) 6.920 26.196 ( -3.471 7.015 12.773) 14.980 26.290 ( -0.076 -4.051 4.612) 6.139 26.762 ( 1.196 -13.156 16.157) 20.870 27.098 ( 2.384 10.261 -3.785) 11.194 27.340 ( -0.933 13.582 3.877) 14.156 27.602 ( 0.118 -8.050 -2.385) 8.397 27.915 ( 1.120 -1.936 -2.074) 3.050 28.026 ( 4.205 -6.142 4.063) 8.480 28.100 ( 11.988 -0.804 -3.660) 12.561 29.540 ( 3.848 8.555 0.307) 9.386 29.982 ( -8.208 -0.794 -4.538) 9.412 30.087 ( -8.904 -4.310 -7.713) 12.544 30.273 ( -1.749 -10.445 2.289) 10.835 30.715 ( -13.816 1.622 -1.049) 13.950 30.807 ( 2.868 7.941 -6.839) 10.865 30.912 ( -2.899 -2.499 -3.088) 4.918 31.292 ( 5.593 -6.863 -7.966) 11.910 31.538 ( -8.123 7.019 -0.924) 10.775 31.773 ( 1.922 -1.409 -4.148) 4.784 32.256 ( 0.783 1.369 9.851) 9.977 32.465 ( -1.870 -5.055 4.820) 7.231 32.950 ( -3.616 0.805 -0.853) 3.801 33.008 ( -2.562 -1.541 -3.142) 4.337 34.609 ( 10.798 -0.503 3.427) 11.339 34.655 ( 7.454 -1.683 2.477) 8.032 35.098 ( 11.904 3.071 -0.591) 12.308 35.186 ( 13.140 5.677 3.371) 14.706 35.310 ( 21.134 -3.311 0.199) 21.393 35.525 ( -0.377 -5.943 1.648) 6.178 35.836 ( 8.345 4.156 -4.115) 10.190 36.023 ( 7.388 -2.507 -4.184) 8.853 37.367 ( -9.079 0.863 4.640) 10.232 37.428 ( -9.231 -1.202 3.653) 10.001 37.852 ( -7.353 1.720 0.188) 7.554 37.939 ( -9.608 0.652 -2.377) 9.920 46.728 ( 1.391 2.224 6.070) 6.612 46.838 ( 0.073 -0.372 3.705) 3.724 46.897 ( -0.559 -1.332 6.862) 7.012 46.979 ( -1.215 -2.742 4.727) 5.598 48.063 ( 0.977 4.066 -1.854) 4.575 48.149 ( 0.360 0.962 -5.347) 5.445 48.201 ( -0.642 -0.759 -4.972) 5.070 48.258 ( -1.115 -2.025 -2.316) 3.272 49.719 ( 0.598 1.473 0.647) 1.716 49.809 ( 0.687 -0.178 0.006) 0.710 49.864 ( -0.369 1.606 2.477) 2.975 50.088 ( 0.166 -4.957 -0.973) 5.054 72.761 ( 0.455 0.280 7.581) 7.600 72.800 ( 0.864 -1.240 9.087) 9.212 72.848 ( -0.631 2.334 14.413) 14.614 73.241 ( -10.296 -24.117 42.286) 49.757 75.716 ( -0.978 16.058 -13.784) 21.185 76.017 ( -7.340 11.445 -16.129) 21.095 76.194 ( 3.976 -3.647 -12.976) 14.053 76.658 ( -16.983 5.972 -2.837) 18.224 76.701 ( -5.386 0.561 3.988) 6.725 77.011 ( -24.028 26.018 -2.170) 35.482 77.337 ( -1.280 -19.699 5.833) 20.585 77.556 ( -7.160 10.722 -6.875) 14.612 78.123 ( 3.195 25.991 -3.969) 26.486 78.738 ( -2.014 22.216 3.513) 22.582 79.656 ( 7.554 -19.809 -10.679) 23.738 80.650 ( 31.489 -55.028 -43.264) 76.756 85.292 ( -2.588 12.382 -2.357) 12.868 85.545 ( -4.646 19.103 -17.744) 26.483 85.836 ( 5.854 -5.675 -4.419) 9.273 85.967 ( 11.929 -0.197 -3.969) 12.574 86.233 ( 8.080 3.205 2.712) 9.106 86.359 ( 3.438 -2.376 -9.480) 10.360 87.236 ( -7.797 -0.808 26.386) 27.526 87.467 ( -14.485 -12.979 37.864) 42.567 102.713 ( 1.396 0.383 0.423) 1.508 102.734 ( 1.480 -0.369 1.032) 1.841 102.958 ( -1.675 0.919 -0.231) 1.924 102.991 ( -1.781 -0.363 0.133) 1.822 103.032 ( 0.322 1.411 -0.302) 1.478 103.069 ( -0.163 6.160 -4.185) 7.449 103.160 ( -3.541 5.148 -1.196) 6.362 103.527 ( 2.473 -6.108 -10.665) 12.536 ======================= Grid point 44 (19/60) ======================= q-point: ( 0.29 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 19.351 -3.779 11.740) 22.947 1.247 ( 20.256 9.020 6.461) 23.096 1.529 ( 3.112 -19.781 -0.263) 20.026 1.814 ( 5.280 -10.496 6.631) 13.491 2.032 ( 10.687 13.106 9.666) 19.478 2.106 ( -8.042 2.710 4.504) 9.608 2.153 ( -8.640 -1.277 0.106) 8.734 2.311 ( -9.015 3.188 2.600) 9.909 2.374 ( -6.489 0.970 3.157) 7.281 2.407 ( -6.487 2.981 1.552) 7.305 2.494 ( -11.394 4.025 3.304) 12.528 2.649 ( -8.748 -2.720 -0.147) 9.162 3.540 ( 8.208 3.692 -5.933) 10.780 3.595 ( 7.457 3.363 -3.622) 8.947 3.693 ( 1.676 1.309 -3.572) 4.158 3.805 ( 3.692 0.217 0.801) 3.784 3.890 ( 1.779 3.734 -3.420) 5.367 4.118 ( 3.606 -4.745 -0.023) 5.960 4.123 ( -3.897 -4.787 -5.931) 8.561 4.257 ( -4.034 -3.395 0.582) 5.304 4.302 ( -8.436 2.388 -8.325) 12.091 4.372 ( 5.598 2.255 2.385) 6.489 4.392 ( -0.965 2.901 -3.485) 4.636 4.475 ( -0.211 7.938 0.496) 7.957 4.769 ( -6.102 2.602 0.806) 6.683 4.818 ( -4.285 -0.170 -1.221) 4.458 4.923 ( 2.335 -7.770 -2.599) 8.520 4.942 ( -0.095 2.682 2.387) 3.592 5.051 ( 5.539 -2.692 2.988) 6.845 5.121 ( -5.349 -4.084 -1.444) 6.883 5.167 ( 1.951 -0.755 -0.839) 2.254 5.284 ( -0.021 -4.906 1.404) 5.103 5.340 ( -1.426 1.451 -1.794) 2.712 5.477 ( 1.374 -1.478 -1.694) 2.635 5.626 ( -3.307 -5.548 3.039) 7.138 5.684 ( -2.572 -3.950 1.931) 5.093 5.796 ( 0.667 0.945 -1.422) 1.833 5.944 ( 7.717 -3.348 -3.062) 8.951 6.057 ( -0.527 -1.057 -1.402) 1.833 6.219 ( 1.525 3.820 -0.475) 4.140 6.281 ( -2.620 -0.192 3.397) 4.295 6.474 ( -1.917 3.487 -1.785) 4.362 6.524 ( -6.255 6.257 2.790) 9.277 6.811 ( -9.712 -2.643 0.056) 10.066 7.124 ( 4.573 2.521 1.821) 5.530 7.432 ( 3.946 -9.846 2.392) 10.874 7.496 ( -3.477 1.177 -0.616) 3.722 7.601 ( -2.734 -1.567 2.939) 4.309 7.640 ( 3.169 4.025 -0.936) 5.208 7.727 ( 1.186 2.811 -0.859) 3.169 7.789 ( 4.058 0.339 -3.420) 5.318 7.951 ( 1.031 0.181 -3.262) 3.426 8.126 ( 6.731 14.829 8.200) 18.233 8.634 ( -7.384 11.704 4.898) 14.680 8.900 ( 3.838 -3.693 -5.200) 7.444 9.164 ( -3.907 -13.931 -3.817) 14.964 9.433 ( 2.420 6.841 2.655) 7.727 9.659 ( -3.714 2.453 7.152) 8.424 9.881 ( 0.756 -10.359 3.767) 11.048 10.031 ( -2.107 -10.049 7.637) 12.796 10.387 ( -3.591 3.445 -0.624) 5.015 10.464 ( -7.042 5.266 1.576) 8.934 10.568 ( 1.662 -12.889 -1.132) 13.045 10.776 ( -6.456 -10.559 -2.354) 12.598 11.344 ( 4.066 9.044 -0.872) 9.954 11.405 ( 1.798 7.587 -1.310) 7.907 11.472 ( 4.040 3.949 0.069) 5.650 11.528 ( 2.412 2.639 -0.133) 3.577 12.044 ( 4.072 13.922 0.094) 14.506 12.208 ( -2.383 7.332 3.574) 8.498 12.441 ( 5.864 -3.531 -1.068) 6.928 12.842 ( -4.671 -10.295 -5.380) 12.520 19.798 ( 6.892 1.110 -2.195) 7.318 19.856 ( 7.447 -0.964 -1.758) 7.712 20.275 ( -7.182 1.548 -4.418) 8.573 20.366 ( -7.472 -1.675 -3.419) 8.387 21.657 ( 5.604 1.066 1.815) 5.986 21.723 ( 5.310 -1.427 3.959) 6.776 21.956 ( 8.847 3.161 2.865) 9.822 22.044 ( -3.257 -0.276 -0.116) 3.271 22.083 ( -2.313 -0.242 -0.311) 2.347 22.163 ( 10.124 -1.384 -0.290) 10.222 22.690 ( -9.025 4.280 2.675) 10.341 22.941 ( -11.129 -4.213 -1.066) 11.947 23.778 ( 18.099 8.371 0.362) 19.944 24.346 ( 14.539 -12.224 -5.216) 19.698 24.955 ( -15.197 4.224 4.109) 16.300 25.398 ( -18.931 -10.432 -6.313) 22.519 25.937 ( 2.703 6.312 4.154) 8.025 26.127 ( -3.456 9.470 11.232) 15.093 26.321 ( 2.733 -7.516 4.170) 9.019 26.674 ( -8.043 -11.397 12.772) 18.913 27.147 ( 2.872 9.878 -3.851) 10.984 27.310 ( -1.951 11.098 2.159) 11.473 27.599 ( -0.043 -5.576 -1.281) 5.721 27.812 ( -7.427 -7.717 0.484) 10.722 28.307 ( 20.749 0.119 0.267) 20.751 28.439 ( 21.137 -3.202 -5.527) 22.081 29.637 ( 1.140 6.273 -2.468) 6.837 29.705 ( -13.434 6.276 -2.449) 15.029 29.786 ( -21.465 -0.549 -5.821) 22.247 30.307 ( 4.012 -15.782 -0.844) 16.306 30.403 ( -17.067 3.242 0.341) 17.376 30.743 ( -8.312 -9.994 -4.663) 13.810 30.941 ( 5.169 11.746 -3.316) 13.255 31.368 ( -8.779 11.347 -1.632) 14.439 31.428 ( 7.563 -7.549 -5.408) 11.977 31.784 ( -1.643 -4.884 -4.632) 6.928 32.305 ( 5.455 1.933 7.076) 9.141 32.471 ( 3.078 -3.360 3.907) 6.003 32.856 ( -6.228 0.170 -0.414) 6.244 32.900 ( -8.331 -1.286 -2.005) 8.665 34.842 ( 11.362 -0.245 1.649) 11.484 34.895 ( 15.683 -1.862 2.812) 16.042 35.145 ( -0.005 4.672 0.335) 4.684 35.445 ( -2.945 -5.962 -0.843) 6.703 35.701 ( 28.972 2.377 2.630) 29.188 35.818 ( 25.723 -1.352 1.299) 25.791 36.115 ( 21.532 2.956 -3.117) 21.957 36.258 ( 17.429 -1.947 -3.189) 17.825 37.115 ( -16.838 0.906 4.401) 17.427 37.171 ( -17.131 -1.049 3.377) 17.492 37.614 ( -17.219 0.632 0.080) 17.231 37.660 ( -19.269 0.221 -1.508) 19.329 46.766 ( 2.534 1.577 5.879) 6.593 46.843 ( 0.479 -0.285 4.007) 4.045 46.884 ( -0.728 -0.693 6.048) 6.131 46.943 ( -2.501 -1.712 4.951) 5.805 48.087 ( 1.464 2.929 -2.257) 3.977 48.159 ( 0.680 0.355 -4.745) 4.807 48.183 ( -1.157 -0.224 -4.303) 4.462 48.233 ( -1.377 -1.643 -2.400) 3.218 49.736 ( 1.175 2.136 0.780) 2.559 49.820 ( -0.395 3.163 -0.177) 3.192 49.874 ( 2.154 -1.746 1.348) 3.083 50.068 ( -2.233 -4.848 -1.103) 5.450 72.773 ( 0.810 0.524 8.408) 8.463 72.824 ( 1.276 -0.944 11.124) 11.237 72.833 ( -0.529 1.362 12.893) 12.975 73.055 ( -8.006 -9.462 30.418) 32.846 75.692 ( -1.170 19.807 -16.179) 25.602 75.840 ( -8.178 23.806 -17.062) 30.409 76.290 ( 5.619 -6.056 -12.539) 15.016 76.401 ( -5.027 12.037 8.090) 15.350 76.595 ( -4.943 3.254 6.145) 8.531 76.804 ( -6.642 1.249 -5.205) 8.530 77.329 ( 0.409 -19.570 3.340) 19.857 77.469 ( -3.735 0.375 -1.955) 4.232 78.257 ( 8.485 23.059 -0.722) 24.581 78.666 ( -4.921 22.206 2.441) 22.876 79.854 ( 13.038 -27.086 -9.445) 31.509 80.809 ( -8.678 -65.721 -32.399) 73.785 85.237 ( -2.409 18.197 -0.777) 18.372 85.421 ( -7.701 27.741 -12.951) 31.569 85.964 ( 6.837 -9.431 -5.161) 12.741 86.135 ( 4.143 -5.157 -9.724) 11.761 86.391 ( 7.880 3.967 1.355) 8.926 86.501 ( 9.341 3.358 -2.006) 10.127 87.042 ( -8.413 -1.380 24.841) 26.263 87.270 ( -7.645 -6.564 24.340) 26.343 102.751 ( 2.483 0.435 0.340) 2.544 102.775 ( 2.642 -0.420 0.912) 2.827 102.917 ( -2.489 0.919 -0.257) 2.666 102.949 ( -2.561 -0.495 0.401) 2.639 103.037 ( 0.062 3.814 -0.895) 3.918 103.047 ( -0.778 7.911 -1.538) 8.097 103.183 ( 3.786 -2.246 -0.981) 4.510 103.498 ( -4.464 -7.471 -7.641) 11.581 ======================= Grid point 45 (20/60) ======================= q-point: ( 0.43 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 21.742 -8.209 6.496) 24.131 1.587 ( 12.634 -7.088 2.792) 14.753 1.643 ( -1.271 -10.223 4.631) 11.295 1.742 ( -3.173 -6.082 3.859) 7.871 1.887 ( -9.793 -5.442 3.224) 11.658 2.041 ( -11.548 3.035 3.467) 12.433 2.088 ( 2.881 -3.689 4.918) 6.789 2.212 ( -5.327 3.051 5.723) 8.393 2.294 ( 0.024 4.752 2.253) 5.259 2.346 ( -4.476 10.195 2.561) 11.425 2.371 ( 5.523 10.644 1.611) 12.099 2.505 ( -6.822 3.137 0.826) 7.554 3.621 ( 1.936 3.075 -4.645) 5.898 3.644 ( -0.591 1.063 -4.661) 4.817 3.807 ( 7.330 -1.898 -5.958) 9.635 3.911 ( 2.544 -5.572 -4.788) 7.774 3.938 ( 3.741 2.546 -4.569) 6.431 4.028 ( -3.619 0.928 -5.131) 6.347 4.155 ( -0.310 4.391 -3.532) 5.644 4.167 ( -2.582 0.865 -4.185) 4.993 4.220 ( -0.348 -1.545 -0.608) 1.697 4.283 ( -6.913 8.125 -2.315) 10.916 4.499 ( 3.342 8.521 2.816) 9.577 4.562 ( 9.318 -4.028 1.074) 10.209 4.611 ( -7.826 6.003 3.877) 10.598 4.721 ( -6.675 -4.204 -0.998) 7.952 4.925 ( 1.941 -4.905 0.588) 5.308 4.995 ( -5.129 -6.705 -1.358) 8.550 5.077 ( 8.139 -2.121 -0.863) 8.455 5.172 ( 4.790 -4.156 4.609) 7.839 5.202 ( -0.364 -0.360 0.837) 0.981 5.255 ( -4.416 -3.037 4.787) 7.186 5.308 ( 3.001 5.245 0.343) 6.053 5.455 ( -8.036 -0.829 1.352) 8.191 5.553 ( 1.649 -4.733 -1.423) 5.210 5.630 ( -4.473 -7.393 -0.925) 8.690 5.831 ( 5.464 5.578 0.482) 7.823 5.971 ( -7.469 3.422 -0.387) 8.224 6.131 ( 8.845 -5.954 -3.944) 11.368 6.232 ( -1.637 -6.095 -1.484) 6.483 6.296 ( 4.133 4.973 1.371) 6.610 6.385 ( -4.820 5.657 2.741) 7.921 6.518 ( 2.863 -1.091 0.015) 3.064 6.629 ( -8.431 -2.155 1.153) 8.778 7.232 ( 6.563 2.265 2.506) 7.381 7.373 ( -7.733 1.873 1.964) 8.196 7.494 ( 2.808 -7.757 1.634) 8.410 7.547 ( -2.723 -4.805 2.178) 5.937 7.707 ( 2.763 5.887 -2.658) 7.026 7.736 ( -0.342 5.851 -2.040) 6.206 7.873 ( 4.153 1.518 -4.968) 6.651 7.936 ( -2.249 2.524 -4.990) 6.027 8.288 ( 9.291 12.673 8.452) 17.843 8.469 ( -9.265 14.033 6.939) 18.191 8.986 ( 4.795 -6.662 -5.905) 10.112 9.079 ( -4.769 -10.315 -5.220) 12.506 9.496 ( 3.965 5.255 4.558) 8.007 9.579 ( -4.412 3.896 6.257) 8.591 9.910 ( 2.316 -10.785 5.597) 12.369 9.970 ( -3.704 -10.208 7.741) 13.335 10.353 ( 0.491 3.057 -0.170) 3.101 10.386 ( -2.566 3.452 0.192) 4.305 10.610 ( 2.636 -14.809 -1.293) 15.098 10.674 ( -4.143 -14.570 -1.702) 15.243 11.406 ( 2.203 9.360 -2.349) 9.898 11.425 ( 0.143 8.688 -2.839) 9.141 11.539 ( 2.532 3.295 0.044) 4.156 11.560 ( 0.446 2.726 -0.028) 2.762 12.113 ( 3.067 11.325 1.013) 11.777 12.164 ( -2.331 9.132 2.187) 9.675 12.571 ( 7.433 -5.423 -2.152) 9.449 12.718 ( -7.493 -7.630 -3.443) 11.235 19.949 ( 8.606 1.316 -2.697) 9.114 20.020 ( 9.278 -1.169 -2.294) 9.629 20.119 ( -8.742 1.473 -3.436) 9.508 20.201 ( -9.302 -1.430 -2.782) 9.814 21.781 ( 7.085 0.977 -0.088) 7.153 21.840 ( 6.618 -1.173 2.431) 7.147 21.917 ( -6.710 0.812 -0.811) 6.808 21.967 ( -6.245 -1.081 0.965) 6.411 22.222 ( 13.192 3.782 3.121) 14.074 22.413 ( 12.743 -2.158 0.657) 12.942 22.482 ( -10.911 3.272 3.429) 11.896 22.696 ( -13.970 -3.546 -0.362) 14.417 24.176 ( 22.470 6.654 0.479) 23.439 24.598 ( -16.688 4.539 0.830) 17.315 24.661 ( 13.099 -9.689 -3.367) 16.637 25.014 ( -19.856 -9.048 -4.447) 22.269 25.994 ( 3.265 6.763 5.941) 9.575 26.060 ( -3.512 7.785 8.188) 11.832 26.394 ( 4.956 -7.742 6.658) 11.350 26.515 ( -7.602 -8.858 9.716) 15.188 27.209 ( 3.343 9.037 -2.842) 10.046 27.268 ( -2.608 9.218 -0.622) 9.600 27.615 ( 1.963 -5.203 -0.182) 5.564 27.684 ( -5.348 -6.305 0.398) 8.277 28.766 ( 26.150 0.586 -1.733) 26.214 28.865 ( 22.586 -2.022 -6.235) 23.518 29.273 ( -24.390 0.653 -5.511) 25.014 29.308 ( -24.674 0.490 -4.596) 25.104 29.837 ( 11.026 8.410 0.937) 13.898 30.088 ( -14.976 6.149 0.627) 16.202 30.412 ( 6.800 -14.931 -1.478) 16.472 30.568 ( -9.113 -13.418 -2.519) 16.414 31.058 ( 6.839 13.513 -2.705) 15.385 31.202 ( -8.135 13.501 -2.099) 15.901 31.576 ( 7.435 -7.680 -4.192) 11.482 31.707 ( -5.858 -7.012 -3.991) 9.970 32.471 ( 11.002 1.605 3.080) 11.537 32.576 ( 7.244 -1.832 2.293) 7.816 32.693 ( -11.141 0.119 0.160) 11.143 32.728 ( -8.238 -0.548 0.663) 8.283 35.024 ( 7.176 1.631 0.503) 7.376 35.119 ( -2.753 3.234 0.131) 4.249 35.168 ( 11.669 -3.394 1.513) 12.247 35.347 ( -7.015 -4.793 0.253) 8.500 36.240 ( 26.222 1.501 2.042) 26.344 36.299 ( 24.527 -0.406 0.901) 24.547 36.608 ( 20.907 0.926 -3.691) 21.251 36.640 ( 5.523 -0.033 -2.676) 6.137 36.780 ( -2.203 0.305 4.765) 5.259 36.807 ( -13.804 -0.524 4.505) 14.530 37.201 ( -25.520 0.330 -0.518) 25.528 37.217 ( -25.676 0.216 -0.029) 25.677 46.822 ( 3.142 0.597 5.592) 6.442 46.855 ( 0.705 -0.216 4.517) 4.577 46.869 ( -0.910 -0.448 5.297) 5.394 46.887 ( -3.016 -0.493 5.245) 6.071 48.118 ( 1.715 1.708 -2.818) 3.715 48.151 ( -1.579 0.552 -3.565) 3.938 48.182 ( 1.081 -0.298 -3.884) 4.043 48.206 ( -1.374 -1.076 -3.048) 3.512 49.764 ( 1.693 2.866 0.699) 3.401 49.797 ( -1.638 3.462 0.540) 3.868 49.936 ( 3.789 -3.132 -0.128) 4.918 50.009 ( -3.619 -4.011 -0.735) 5.452 72.791 ( 1.011 0.887 9.700) 9.793 72.811 ( -1.062 1.330 11.305) 11.433 72.868 ( 2.751 -2.054 14.543) 14.943 72.937 ( -4.561 -3.879 20.573) 21.427 75.688 ( 1.074 21.475 -16.469) 27.084 75.733 ( -3.572 21.572 -15.511) 26.808 76.367 ( 1.718 -2.768 0.296) 3.271 76.386 ( 0.701 -2.011 -1.730) 2.744 76.556 ( 2.518 5.829 3.102) 7.067 76.669 ( -7.344 1.101 -4.572) 8.720 77.353 ( 1.973 -15.872 1.628) 16.077 77.402 ( -3.101 -8.635 0.200) 9.177 78.417 ( 7.906 23.157 -0.327) 24.471 78.556 ( -6.454 22.580 0.456) 23.488 80.152 ( 17.697 -38.779 -11.962) 44.273 80.513 ( -18.868 -53.885 -19.238) 60.247 85.220 ( 1.069 24.287 -1.509) 24.357 85.285 ( -5.618 28.547 -5.416) 29.594 86.081 ( 5.004 -10.961 -6.942) 13.906 86.149 ( -1.797 -9.446 -9.256) 13.346 86.529 ( 5.905 8.101 2.909) 10.438 86.598 ( -0.271 9.838 3.619) 10.486 87.000 ( 3.971 -7.175 15.181) 17.255 87.126 ( -7.565 -7.477 16.402) 19.549 102.805 ( 3.033 0.513 0.192) 3.082 102.832 ( 3.197 -0.476 0.754) 3.319 102.864 ( -2.978 0.650 -0.020) 3.048 102.894 ( -3.128 -0.512 0.590) 3.224 103.038 ( 0.179 5.968 -1.020) 6.057 103.041 ( -0.147 4.629 -0.692) 4.683 103.275 ( 5.553 -4.135 -2.551) 7.378 103.390 ( -6.178 -6.066 -4.614) 9.811 ======================= Grid point 49 (21/60) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.000 -17.742 0.469) 17.748 1.070 ( 0.000 17.742 0.469) 17.748 1.281 ( 0.000 -13.443 7.984) 15.635 1.281 ( 0.000 13.443 7.984) 15.635 2.089 ( 0.000 -23.106 11.670) 25.885 2.089 ( 0.000 23.106 11.670) 25.885 2.327 ( 0.000 -2.389 -0.245) 2.402 2.327 ( 0.000 2.389 -0.245) 2.402 2.532 ( 0.000 -1.477 4.046) 4.308 2.532 ( 0.000 1.477 4.046) 4.308 2.975 ( 0.000 -1.687 -0.791) 1.863 2.975 ( 0.000 1.687 -0.791) 1.863 3.442 ( 0.000 -9.733 2.164) 9.971 3.442 ( 0.000 9.733 2.164) 9.971 3.534 ( 0.000 -8.676 2.690) 9.084 3.534 ( 0.000 8.676 2.690) 9.084 3.941 ( 0.000 -9.693 -4.405) 10.647 3.941 ( 0.000 9.693 -4.405) 10.647 4.201 ( 0.000 -11.073 5.223) 12.243 4.201 ( 0.000 11.073 5.223) 12.243 4.375 ( 0.000 -2.777 -3.511) 4.477 4.375 ( 0.000 2.777 -3.511) 4.477 4.613 ( 0.000 -8.393 -5.688) 10.139 4.613 ( 0.000 8.393 -5.688) 10.139 4.830 ( 0.000 -1.599 -4.883) 5.138 4.830 ( 0.000 1.599 -4.883) 5.138 4.884 ( 0.000 -3.380 -4.932) 5.979 4.884 ( 0.000 3.380 -4.932) 5.979 5.065 ( 0.000 -3.673 -0.098) 3.674 5.065 ( 0.000 3.673 -0.098) 3.674 5.199 ( 0.000 -0.653 -2.209) 2.304 5.199 ( 0.000 0.653 -2.209) 2.304 5.418 ( 0.000 -1.849 0.320) 1.876 5.418 ( 0.000 1.849 0.320) 1.876 5.668 ( 0.000 -2.296 0.205) 2.306 5.668 ( 0.000 2.296 0.205) 2.306 5.735 ( 0.000 -3.986 -2.706) 4.818 5.735 ( 0.000 3.986 -2.706) 4.818 6.088 ( 0.000 -5.417 2.769) 6.084 6.088 ( 0.000 5.417 2.769) 6.084 6.567 ( 0.000 -3.167 3.013) 4.371 6.567 ( 0.000 3.167 3.013) 4.371 6.913 ( 0.000 -3.790 -5.478) 6.662 6.913 ( 0.000 3.790 -5.478) 6.662 7.174 ( 0.000 -0.338 7.012) 7.020 7.174 ( 0.000 0.338 7.012) 7.020 7.468 ( 0.000 -4.512 -0.668) 4.561 7.468 ( 0.000 4.512 -0.668) 4.561 7.677 ( 0.000 -1.058 0.872) 1.371 7.677 ( 0.000 1.058 0.872) 1.371 7.815 ( 0.000 -3.206 4.159) 5.252 7.815 ( 0.000 3.206 4.159) 5.252 8.561 ( 0.000 -20.696 -6.483) 21.687 8.561 ( 0.000 20.696 -6.483) 21.687 8.857 ( 0.000 -5.653 2.216) 6.072 8.857 ( 0.000 5.653 2.216) 6.072 9.626 ( 0.000 -11.460 0.747) 11.485 9.626 ( 0.000 11.460 0.747) 11.485 9.834 ( 0.000 -7.681 7.572) 10.786 9.834 ( 0.000 7.681 7.572) 10.786 10.468 ( 0.000 -0.895 -4.423) 4.513 10.468 ( 0.000 0.895 -4.423) 4.513 10.994 ( 0.000 -0.176 -6.775) 6.777 10.994 ( 0.000 0.176 -6.775) 6.777 11.342 ( 0.000 -7.710 4.509) 8.932 11.342 ( 0.000 7.710 4.509) 8.932 11.445 ( 0.000 -0.870 2.998) 3.121 11.445 ( 0.000 0.870 2.998) 3.121 12.216 ( 0.000 -4.978 -3.525) 6.100 12.216 ( 0.000 4.978 -3.525) 6.100 12.543 ( 0.000 -2.916 1.149) 3.134 12.543 ( 0.000 2.916 1.149) 3.134 19.677 ( 0.000 -1.201 -1.428) 1.866 19.677 ( 0.000 1.201 -1.428) 1.866 20.469 ( 0.000 -2.188 -5.496) 5.915 20.469 ( 0.000 2.188 -5.496) 5.915 21.580 ( 0.000 -1.729 5.807) 6.059 21.580 ( 0.000 1.729 5.807) 6.059 21.828 ( 0.000 -4.968 0.564) 5.000 21.828 ( 0.000 4.968 0.564) 5.000 22.145 ( 0.000 -0.313 -0.122) 0.336 22.145 ( 0.000 0.313 -0.122) 0.336 23.017 ( 0.000 -8.022 0.907) 8.073 23.017 ( 0.000 8.022 0.907) 8.073 23.692 ( 0.000 -13.316 -2.499) 13.548 23.692 ( 0.000 13.316 -2.499) 13.548 25.453 ( 0.000 -13.440 -3.366) 13.855 25.453 ( 0.000 13.440 -3.366) 13.855 26.045 ( 0.000 -8.039 2.396) 8.389 26.045 ( 0.000 8.039 2.396) 8.389 26.503 ( 0.000 -7.563 20.376) 21.734 26.503 ( 0.000 7.563 20.376) 21.734 27.332 ( 0.000 -12.521 -2.921) 12.857 27.332 ( 0.000 12.521 -2.921) 12.857 27.718 ( 0.000 -16.490 4.143) 17.002 27.718 ( 0.000 16.490 4.143) 17.002 27.953 ( 0.000 -4.258 -1.984) 4.698 27.953 ( 0.000 4.258 -1.984) 4.698 29.723 ( 0.000 -11.516 -1.276) 11.586 29.723 ( 0.000 11.516 -1.276) 11.586 30.242 ( 0.000 -4.222 -2.463) 4.888 30.242 ( 0.000 4.222 -2.463) 4.888 30.883 ( 0.000 -0.628 -3.195) 3.256 30.883 ( 0.000 0.628 -3.195) 3.256 31.043 ( 0.000 -10.837 -7.683) 13.284 31.043 ( 0.000 10.837 -7.683) 13.284 31.722 ( 0.000 -2.767 -3.281) 4.292 31.722 ( 0.000 2.767 -3.281) 4.292 32.339 ( 0.000 -6.469 8.388) 10.593 32.339 ( 0.000 6.469 8.388) 10.593 33.008 ( 0.000 -0.766 -1.354) 1.556 33.008 ( 0.000 0.766 -1.354) 1.556 34.537 ( 0.000 -2.126 2.852) 3.557 34.537 ( 0.000 2.126 2.852) 3.557 34.962 ( 0.000 -4.797 0.242) 4.803 34.962 ( 0.000 4.797 0.242) 4.803 35.340 ( 0.000 -9.486 2.408) 9.787 35.340 ( 0.000 9.486 2.408) 9.787 35.869 ( 0.000 -4.778 -4.337) 6.453 35.869 ( 0.000 4.778 -4.337) 6.453 37.484 ( 0.000 -1.563 4.227) 4.507 37.484 ( 0.000 1.563 4.227) 4.507 38.000 ( 0.000 -3.236 -0.537) 3.280 38.000 ( 0.000 3.236 -0.537) 3.280 46.785 ( 0.000 -3.475 5.919) 6.864 46.785 ( 0.000 3.475 5.919) 6.864 46.918 ( 0.000 -2.635 4.636) 5.332 46.918 ( 0.000 2.635 4.636) 5.332 48.163 ( 0.000 -2.290 -3.485) 4.170 48.163 ( 0.000 2.290 -3.485) 4.170 48.191 ( 0.000 -1.644 -3.639) 3.994 48.191 ( 0.000 1.644 -3.639) 3.994 49.753 ( 0.000 -2.241 0.927) 2.425 49.753 ( 0.000 2.241 0.927) 2.425 49.969 ( 0.000 -5.434 0.319) 5.444 49.969 ( 0.000 5.434 0.319) 5.444 72.767 ( 0.000 -0.813 7.677) 7.720 72.767 ( 0.000 0.813 7.677) 7.720 72.960 ( 0.000 -7.941 23.023) 24.354 72.960 ( 0.000 7.941 23.023) 24.354 76.025 ( 0.000 -8.238 -13.421) 15.748 76.025 ( 0.000 8.238 -13.421) 15.748 76.350 ( 0.000 -19.200 -15.504) 24.678 76.350 ( 0.000 19.200 -15.504) 24.678 76.964 ( 0.000 -12.703 12.798) 18.032 76.964 ( 0.000 12.703 12.798) 18.032 77.646 ( 0.000 -9.814 -1.581) 9.940 77.646 ( 0.000 9.814 -1.581) 9.940 78.897 ( 0.000 -0.301 -26.809) 26.811 78.897 ( 0.000 0.301 -26.809) 26.811 79.601 ( 0.000 -9.216 -5.286) 10.624 79.601 ( 0.000 9.216 -5.286) 10.624 85.541 ( 0.000 -9.057 -6.072) 10.904 85.541 ( 0.000 9.057 -6.072) 10.904 85.829 ( 0.000 -0.763 -7.230) 7.270 85.829 ( 0.000 0.763 -7.230) 7.270 86.244 ( 0.000 -4.325 -5.022) 6.628 86.244 ( 0.000 4.325 -5.022) 6.628 87.340 ( 0.000 -5.615 33.687) 34.152 87.340 ( 0.000 5.615 33.687) 34.152 102.709 ( 0.000 -0.510 0.755) 0.911 102.709 ( 0.000 0.510 0.755) 0.911 102.994 ( 0.000 -0.902 0.197) 0.924 102.994 ( 0.000 0.902 0.197) 0.924 103.053 ( 0.000 -1.105 -0.504) 1.214 103.053 ( 0.000 1.105 -0.504) 1.214 103.399 ( 0.000 -2.535 -8.496) 8.866 103.399 ( 0.000 2.535 -8.496) 8.866 ======================= Grid point 51 (22/60) ======================= q-point: ( 0.14 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -2.637 -22.105 2.711) 22.426 1.048 ( -2.637 22.105 2.711) 22.426 1.317 ( 6.647 -19.607 8.749) 22.475 1.317 ( 6.647 19.607 8.749) 22.475 2.202 ( 7.365 -16.265 5.993) 18.833 2.202 ( 7.365 16.265 5.993) 18.833 2.296 ( -2.331 -3.259 1.608) 4.317 2.296 ( -2.331 3.259 1.608) 4.317 2.490 ( -4.224 -1.318 4.117) 6.044 2.490 ( -4.224 1.318 4.117) 6.044 2.784 ( -14.282 -2.170 1.296) 14.504 2.784 ( -14.282 2.170 1.296) 14.504 3.509 ( 3.795 -2.124 -1.631) 4.645 3.509 ( 3.795 2.124 -1.631) 4.645 3.656 ( 10.530 -5.573 3.206) 12.338 3.656 ( 10.530 5.573 3.206) 12.338 3.942 ( 0.075 -8.918 -5.272) 10.360 3.942 ( 0.075 8.918 -5.272) 10.360 4.175 ( -2.042 -9.362 4.017) 10.391 4.175 ( -2.042 9.362 4.017) 10.391 4.353 ( -2.076 -2.893 -3.587) 5.055 4.353 ( -2.076 2.893 -3.587) 5.055 4.614 ( 0.097 -7.250 -5.404) 9.043 4.614 ( 0.097 7.250 -5.404) 9.043 4.798 ( -2.471 -4.021 -1.950) 5.106 4.798 ( -2.471 4.021 -1.950) 5.106 4.897 ( 0.239 -3.549 -5.695) 6.715 4.897 ( 0.239 3.549 -5.695) 6.715 5.079 ( 0.473 -3.034 -0.934) 3.210 5.079 ( 0.473 3.034 -0.934) 3.210 5.191 ( -0.805 -2.964 -0.196) 3.077 5.191 ( -0.805 2.964 -0.196) 3.077 5.395 ( -0.318 -2.768 1.432) 3.132 5.395 ( -0.318 2.768 1.432) 3.132 5.637 ( -2.768 -2.229 1.497) 3.856 5.637 ( -2.768 2.229 1.497) 3.856 5.781 ( 3.459 -3.838 -3.130) 6.041 5.781 ( 3.459 3.838 -3.130) 6.041 6.109 ( 1.702 -5.188 2.197) 5.885 6.109 ( 1.702 5.188 2.197) 5.885 6.505 ( -4.888 -3.967 1.684) 6.517 6.505 ( -4.888 3.967 1.684) 6.517 6.863 ( -6.470 -5.964 -3.558) 9.491 6.863 ( -6.470 5.964 -3.558) 9.491 7.167 ( 1.689 -5.014 6.366) 8.278 7.167 ( 1.689 5.014 6.366) 8.278 7.551 ( 5.427 -4.656 -1.239) 7.257 7.551 ( 5.427 4.656 -1.239) 7.257 7.661 ( -0.815 -0.651 0.054) 1.045 7.661 ( -0.815 0.651 0.054) 1.045 7.822 ( 1.168 -3.924 3.283) 5.247 7.822 ( 1.168 3.924 3.283) 5.247 8.581 ( 1.845 -22.060 -5.385) 22.783 8.581 ( 1.845 22.060 -5.385) 22.783 8.861 ( 0.193 -5.399 1.162) 5.526 8.861 ( 0.193 5.399 1.162) 5.526 9.625 ( -0.027 -11.193 1.207) 11.258 9.625 ( -0.027 11.193 1.207) 11.258 9.828 ( -0.673 -8.341 8.222) 11.732 9.828 ( -0.673 8.341 8.222) 11.732 10.458 ( -0.933 -0.266 -3.879) 3.998 10.458 ( -0.933 0.266 -3.879) 3.998 10.831 ( -13.605 -3.403 -2.280) 14.208 10.831 ( -13.605 3.403 -2.280) 14.208 11.397 ( 4.351 -6.003 1.407) 7.546 11.397 ( 4.351 6.003 1.407) 7.546 11.466 ( 2.059 -0.739 1.778) 2.819 11.466 ( 2.059 0.739 1.778) 2.819 12.244 ( 2.581 -5.967 -2.762) 7.064 12.244 ( 2.581 5.967 -2.762) 7.064 12.547 ( -0.064 -14.133 0.404) 14.139 12.547 ( -0.064 14.133 0.404) 14.139 19.717 ( 4.082 -1.234 -1.611) 4.559 19.717 ( 4.082 1.234 -1.611) 4.559 20.430 ( -4.007 -2.255 -4.979) 6.777 20.430 ( -4.007 2.255 -4.979) 6.777 21.606 ( 2.808 -1.678 4.643) 5.680 21.606 ( 2.808 1.678 4.643) 5.680 21.891 ( 6.298 -4.664 1.659) 8.011 21.891 ( 6.298 4.664 1.659) 8.011 22.129 ( -1.784 -0.622 -0.789) 2.047 22.129 ( -1.784 0.622 -0.789) 2.047 22.965 ( -5.355 -7.411 1.032) 9.201 22.965 ( -5.355 7.411 1.032) 9.201 23.786 ( 9.350 -14.087 -2.303) 17.064 23.786 ( 9.350 14.087 -2.303) 17.064 25.374 ( -8.309 -13.021 -3.258) 15.786 25.374 ( -8.309 13.021 -3.258) 15.786 26.067 ( 2.117 -8.728 2.441) 9.307 26.067 ( 2.117 8.728 2.441) 9.307 26.477 ( -2.965 -11.904 17.792) 21.611 26.477 ( -2.965 11.904 17.792) 21.611 27.359 ( 2.097 -12.006 -3.558) 12.697 27.359 ( 2.097 12.006 -3.558) 12.697 27.680 ( -3.892 -14.941 4.043) 15.961 27.680 ( -3.892 14.941 4.043) 15.961 28.044 ( 10.396 -3.683 -1.654) 11.152 28.044 ( 10.396 3.683 -1.654) 11.152 29.777 ( 4.550 -12.102 -2.664) 13.201 29.777 ( 4.550 12.102 -2.664) 13.201 30.132 ( -11.131 -4.967 -2.089) 12.366 30.132 ( -11.131 4.967 -2.089) 12.366 30.770 ( -10.520 -3.725 -2.647) 11.469 30.770 ( -10.520 3.725 -2.647) 11.469 31.093 ( 4.727 -10.642 -6.555) 13.363 31.093 ( 4.727 10.642 -6.555) 13.363 31.694 ( -2.722 -5.813 -3.497) 7.310 31.694 ( -2.722 5.813 -3.497) 7.310 32.335 ( 0.135 -5.504 7.593) 9.379 32.335 ( 0.135 5.504 7.593) 9.379 32.974 ( -3.576 -1.364 -1.336) 4.054 32.974 ( -3.576 1.364 -1.336) 4.054 34.617 ( 9.110 -1.253 2.879) 9.635 34.617 ( 9.110 1.253 2.879) 9.635 35.195 ( 17.782 -4.823 -1.768) 18.509 35.195 ( 17.782 4.823 -1.768) 18.509 35.361 ( 5.089 -7.748 3.991) 10.093 35.361 ( 5.089 7.748 3.991) 10.093 35.941 ( 7.810 -4.590 -4.046) 9.921 35.941 ( 7.810 4.590 -4.046) 9.921 37.395 ( -9.108 -1.521 4.123) 10.113 37.395 ( -9.108 1.521 4.123) 10.113 37.912 ( -9.253 -2.629 -0.493) 9.632 37.912 ( -9.253 2.629 -0.493) 9.632 46.791 ( 0.686 -3.100 5.800) 6.612 46.791 ( 0.686 3.100 5.800) 6.612 46.914 ( -0.463 -2.450 4.635) 5.263 46.914 ( -0.463 2.450 4.635) 5.263 48.161 ( -0.149 -2.231 -3.387) 4.058 48.161 ( -0.149 2.231 -3.387) 4.058 48.189 ( -0.253 -1.534 -3.580) 3.903 48.189 ( -0.253 1.534 -3.580) 3.903 49.765 ( 1.184 -2.403 0.774) 2.788 49.765 ( 1.184 2.403 0.774) 2.788 49.964 ( -0.606 -5.687 0.182) 5.722 49.964 ( -0.606 5.687 0.182) 5.722 72.774 ( 0.694 -0.915 8.097) 8.178 72.774 ( 0.694 0.915 8.097) 8.178 72.942 ( -1.776 -6.757 21.552) 22.656 72.942 ( -1.776 6.757 21.552) 22.656 76.036 ( 1.161 -8.820 -13.510) 16.176 76.036 ( 1.161 8.820 -13.510) 16.176 76.335 ( -1.755 -17.919 -16.471) 24.402 76.335 ( -1.755 17.919 -16.471) 24.402 76.917 ( -4.234 -14.480 12.647) 19.686 76.917 ( -4.234 14.480 12.647) 19.686 77.481 ( -13.855 -12.587 -1.343) 18.766 77.481 ( -13.855 12.587 -1.343) 18.766 78.967 ( 6.066 -30.776 -20.772) 37.622 78.967 ( 6.066 30.776 -20.772) 37.622 79.534 ( -5.879 -38.753 -2.875) 39.301 79.534 ( -5.879 38.753 -2.875) 39.301 85.582 ( 3.245 -11.509 -5.044) 12.978 85.582 ( 3.245 11.509 -5.044) 12.978 85.901 ( 4.968 -7.045 -14.770) 17.102 85.901 ( 4.968 7.045 -14.770) 17.102 86.293 ( 6.230 -2.787 0.060) 6.825 86.293 ( 6.230 2.787 0.060) 6.825 87.268 ( -6.916 -4.669 30.921) 32.027 87.268 ( -6.916 4.669 30.921) 32.027 102.724 ( 1.442 -0.529 0.725) 1.698 102.724 ( 1.442 0.529 0.725) 1.698 102.976 ( -1.683 -0.799 0.202) 1.874 102.976 ( -1.683 0.799 0.202) 1.874 103.069 ( 1.519 -1.751 -0.615) 2.398 103.069 ( 1.519 1.751 -0.615) 2.398 103.363 ( -3.314 -8.569 -7.031) 11.569 103.363 ( -3.314 8.569 -7.031) 11.569 ======================= Grid point 53 (23/60) ======================= q-point: ( 0.29 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 6.451 -17.590 6.303) 19.767 1.063 ( 6.451 17.590 6.303) 19.767 1.520 ( 12.419 -13.382 7.195) 19.623 1.520 ( 12.419 13.382 7.195) 19.623 2.099 ( -13.049 -1.759 1.215) 13.223 2.099 ( -13.049 1.759 1.215) 13.223 2.327 ( -5.523 -4.275 4.458) 8.286 2.327 ( -5.523 4.275 4.458) 8.286 2.420 ( 1.782 -6.512 1.781) 6.982 2.420 ( 1.782 6.512 1.781) 6.982 2.572 ( -6.076 -4.279 2.291) 7.776 2.572 ( -6.076 4.279 2.291) 7.776 3.591 ( 4.740 -1.248 -4.717) 6.803 3.591 ( 4.740 1.248 -4.717) 6.803 3.802 ( 2.417 -4.153 1.183) 4.949 3.802 ( 2.417 4.153 1.183) 4.949 3.958 ( 2.603 -5.472 -5.972) 8.508 3.958 ( 2.603 5.472 -5.972) 8.508 4.150 ( -0.583 -5.428 0.756) 5.512 4.150 ( -0.583 5.428 0.756) 5.512 4.327 ( 0.632 -1.756 -1.640) 2.484 4.327 ( 0.632 1.756 -1.640) 2.484 4.602 ( -1.774 -5.854 -5.560) 8.266 4.602 ( -1.774 5.854 -5.560) 8.266 4.752 ( -2.113 -2.821 1.570) 3.858 4.752 ( -2.113 2.821 1.570) 3.858 4.875 ( -2.496 -5.940 -0.564) 6.468 4.875 ( -2.496 5.940 -0.564) 6.468 5.064 ( -1.304 -2.378 -2.705) 3.831 5.064 ( -1.304 2.378 -2.705) 3.831 5.191 ( 1.446 -2.942 3.333) 4.675 5.191 ( 1.446 2.942 3.333) 4.675 5.416 ( 0.859 -4.216 -1.699) 4.625 5.416 ( 0.859 4.216 -1.699) 4.625 5.574 ( -3.550 -2.238 3.311) 5.345 5.574 ( -3.550 2.238 3.311) 5.345 5.858 ( 5.127 -3.738 -2.177) 6.708 5.858 ( 5.127 3.738 -2.177) 6.708 6.124 ( -0.703 -5.253 0.985) 5.391 6.124 ( -0.703 5.253 0.985) 5.391 6.430 ( -2.085 -6.073 0.029) 6.421 6.430 ( -2.085 6.073 0.029) 6.421 6.696 ( -9.442 -7.107 1.388) 11.900 6.696 ( -9.442 7.107 1.388) 11.900 7.234 ( 4.535 -7.118 3.131) 9.002 7.234 ( 4.535 7.118 3.131) 9.002 7.549 ( -4.366 -2.652 1.817) 5.422 7.549 ( -4.366 2.652 1.817) 5.422 7.722 ( 5.708 -2.746 -4.125) 7.559 7.722 ( 5.708 2.746 -4.125) 7.559 7.864 ( 2.573 -5.532 0.012) 6.101 7.864 ( 2.573 5.532 0.012) 6.101 8.626 ( 2.934 -22.911 -2.604) 23.244 8.626 ( 2.934 22.911 -2.604) 23.244 8.849 ( -1.762 -7.414 -0.394) 7.630 8.849 ( -1.762 7.414 -0.394) 7.630 9.632 ( 0.899 -10.465 2.681) 10.840 9.632 ( 0.899 10.465 2.681) 10.840 9.801 ( -2.407 -9.506 9.160) 13.419 9.801 ( -2.407 9.506 9.160) 13.419 10.437 ( -1.114 -1.466 -2.785) 3.339 10.437 ( -1.114 1.466 -2.785) 3.339 10.583 ( -10.403 -6.698 -0.034) 12.373 10.583 ( -10.403 6.698 -0.034) 12.373 11.481 ( 4.008 -4.598 -0.547) 6.124 11.481 ( 4.008 4.598 -0.547) 6.124 11.514 ( 2.576 -1.724 0.118) 3.102 11.514 ( 2.576 1.724 0.118) 3.102 12.305 ( 3.700 -8.003 -1.692) 8.978 12.305 ( 3.700 8.003 -1.692) 8.978 12.526 ( -2.232 -16.882 -0.401) 17.033 12.526 ( -2.232 16.882 -0.401) 17.033 19.828 ( 7.206 -1.419 -2.009) 7.614 19.828 ( 7.206 1.419 -2.009) 7.614 20.320 ( -7.261 -2.232 -3.986) 8.579 20.320 ( -7.261 2.232 -3.986) 8.579 21.688 ( 5.509 -1.599 2.678) 6.331 21.688 ( 5.509 1.599 2.678) 6.331 22.025 ( 1.638 -1.934 2.160) 3.330 22.025 ( 1.638 1.934 2.160) 3.330 22.106 ( 5.037 -2.610 -0.594) 5.705 22.106 ( 5.037 2.610 -0.594) 5.705 22.815 ( -10.002 -6.301 1.479) 11.914 22.815 ( -10.002 6.301 1.479) 11.914 24.035 ( 16.148 -13.778 -1.896) 21.312 24.035 ( 16.148 13.778 -1.896) 21.312 25.138 ( -15.887 -11.170 -2.858) 19.630 25.138 ( -15.887 11.170 -2.858) 19.630 26.118 ( 3.115 -9.173 3.762) 10.392 26.118 ( 3.115 9.173 3.762) 10.392 26.391 ( -5.557 -12.761 13.101) 19.115 26.391 ( -5.557 12.761 13.101) 19.115 27.396 ( 1.740 -10.989 -3.590) 11.691 27.396 ( 1.740 10.989 -3.590) 11.691 27.587 ( -5.175 -11.827 2.503) 13.151 27.587 ( -5.175 11.827 2.503) 13.151 28.354 ( 20.866 -3.715 -1.816) 21.271 28.354 ( 20.866 3.715 -1.816) 21.271 29.738 ( -17.094 -3.025 -7.196) 18.792 29.738 ( -17.094 3.025 -7.196) 18.792 29.961 ( 2.454 -14.076 1.821) 14.404 29.961 ( 2.454 14.076 1.821) 14.404 30.531 ( -13.225 -7.965 -1.838) 15.547 30.531 ( -13.225 7.965 -1.838) 15.547 31.208 ( 6.909 -11.377 -4.697) 14.115 31.208 ( 6.909 11.377 -4.697) 14.115 31.615 ( -5.495 -9.826 -3.439) 11.772 31.615 ( -5.495 9.826 -3.439) 11.772 32.379 ( 5.040 -4.285 5.333) 8.497 32.379 ( 5.040 4.285 5.333) 8.497 32.871 ( -7.117 -1.123 -0.820) 7.251 32.871 ( -7.117 1.123 -0.820) 7.251 34.854 ( 13.588 -1.416 2.220) 13.840 34.854 ( 13.588 1.416 2.220) 13.840 35.286 ( -1.580 -7.377 -0.530) 7.563 35.286 ( -1.580 7.377 -0.530) 7.563 35.766 ( 27.628 -2.999 2.189) 27.876 35.766 ( 27.628 2.999 2.189) 27.876 36.194 ( 19.080 -3.554 -3.114) 19.657 36.194 ( 19.080 3.554 -3.114) 19.657 37.142 ( -16.882 -1.413 3.903) 17.385 37.142 ( -16.882 1.413 3.903) 17.385 37.644 ( -18.471 -1.452 -0.362) 18.532 37.644 ( -18.471 1.452 -0.362) 18.532 46.811 ( 1.317 -2.162 5.531) 6.083 46.811 ( 1.317 2.162 5.531) 6.083 46.899 ( -1.124 -1.747 4.728) 5.164 46.899 ( -1.124 1.747 4.728) 5.164 48.160 ( 0.044 -1.896 -3.252) 3.765 48.160 ( 0.044 1.896 -3.252) 3.765 48.182 ( -0.483 -1.213 -3.433) 3.673 48.182 ( -0.483 1.213 -3.433) 3.673 49.798 ( 2.235 -3.110 0.463) 3.858 49.798 ( 2.235 3.110 0.463) 3.858 49.943 ( -1.708 -5.708 0.025) 5.958 49.943 ( -1.708 5.708 0.025) 5.958 72.793 ( 1.267 -1.227 9.361) 9.525 72.793 ( 1.267 1.227 9.361) 9.525 72.901 ( -2.302 -4.533 18.131) 18.831 72.901 ( -2.302 4.533 18.131) 18.831 76.068 ( 2.073 -10.116 -13.733) 17.182 76.068 ( 2.073 10.116 -13.733) 17.182 76.276 ( -4.317 -14.259 -17.005) 22.608 76.276 ( -4.317 14.259 -17.005) 22.608 76.852 ( -1.167 -18.683 11.040) 21.732 76.852 ( -1.167 18.683 11.040) 21.732 77.221 ( -12.023 -20.438 1.599) 23.766 77.221 ( -12.023 20.438 1.599) 23.766 79.091 ( 6.309 -39.439 -12.441) 41.833 79.091 ( 6.309 39.439 -12.441) 41.833 79.415 ( -5.949 -48.052 -1.417) 48.440 79.415 ( -5.949 48.052 -1.417) 48.440 85.650 ( 4.003 -15.837 -4.642) 16.982 85.650 ( 4.003 15.837 -4.642) 16.982 85.926 ( -2.332 -13.891 -16.850) 21.962 85.926 ( -2.332 13.891 -16.850) 21.962 86.490 ( 12.548 -4.075 3.709) 13.705 86.490 ( 12.548 4.075 3.709) 13.705 87.105 ( -9.403 -6.779 23.605) 26.298 87.105 ( -9.403 6.779 23.605) 26.298 102.763 ( 2.566 -0.585 0.638) 2.707 102.763 ( 2.566 0.585 0.638) 2.707 102.935 ( -2.562 -0.749 0.267) 2.682 102.935 ( -2.562 0.749 0.267) 2.682 103.106 ( 2.289 -3.293 -1.001) 4.133 103.106 ( 2.289 3.293 -1.001) 4.133 103.290 ( -3.923 -10.445 -4.579) 12.060 103.290 ( -3.923 10.445 -4.579) 12.060 ======================= Grid point 55 (24/60) ======================= q-point: ( 0.43 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 16.687 -8.928 5.850) 19.809 1.299 ( 16.687 8.928 5.850) 19.809 1.614 ( -10.704 -3.688 5.569) 12.617 1.614 ( -10.704 3.688 5.569) 12.617 1.939 ( 5.224 -6.819 4.235) 9.577 1.939 ( 5.224 6.819 4.235) 9.577 2.141 ( -11.463 -4.686 4.774) 13.272 2.141 ( -11.463 4.686 4.774) 13.272 2.464 ( 2.102 -4.460 -0.766) 4.989 2.464 ( 2.102 4.460 -0.766) 4.989 2.509 ( -2.346 -2.583 0.877) 3.598 2.509 ( -2.346 2.583 0.877) 3.598 3.683 ( 4.687 -0.708 -6.353) 7.927 3.683 ( 4.687 0.708 -6.353) 7.927 3.769 ( -3.994 -2.626 -5.006) 6.921 3.769 ( -3.994 2.626 -5.006) 6.921 4.039 ( 4.789 -4.943 -1.381) 7.019 4.039 ( 4.789 4.943 -1.381) 7.019 4.118 ( -3.115 -4.494 -1.530) 5.678 4.118 ( -3.115 4.494 -1.530) 5.678 4.403 ( 6.591 -9.208 -0.859) 11.357 4.403 ( 6.591 9.208 -0.859) 11.357 4.533 ( -5.693 -10.846 -1.423) 12.331 4.533 ( -5.693 10.846 -1.423) 12.331 4.736 ( 1.113 -8.761 0.664) 8.856 4.736 ( 1.113 8.761 0.664) 8.856 4.797 ( -4.637 -8.474 0.295) 9.665 4.797 ( -4.637 8.474 0.295) 9.665 5.099 ( 4.738 -2.410 0.954) 5.401 5.099 ( 4.738 2.410 0.954) 5.401 5.190 ( -2.974 -1.255 4.676) 5.682 5.190 ( -2.974 1.255 4.676) 5.682 5.428 ( 1.897 -4.546 -2.996) 5.766 5.428 ( 1.897 4.546 -2.996) 5.766 5.497 ( -4.406 -3.192 1.266) 5.587 5.497 ( -4.406 3.192 1.266) 5.587 5.980 ( 6.623 -6.898 -1.284) 9.648 5.980 ( 6.623 6.898 -1.284) 9.648 6.081 ( -3.701 -5.972 -1.000) 7.096 6.081 ( -3.701 5.972 -1.000) 7.096 6.434 ( 2.532 -5.768 1.453) 6.465 6.434 ( 2.532 5.768 1.453) 6.465 6.530 ( -7.257 -6.133 3.086) 9.990 6.530 ( -7.257 6.133 3.086) 9.990 7.332 ( 5.576 -6.296 2.169) 8.685 7.332 ( 5.576 6.296 2.169) 8.685 7.445 ( -5.940 -4.122 2.186) 7.553 7.445 ( -5.940 4.122 2.186) 7.553 7.826 ( 4.699 -3.930 -4.780) 7.770 7.826 ( 4.699 3.930 -4.780) 7.770 7.885 ( -1.001 -5.275 -3.625) 6.479 7.885 ( -1.001 5.275 -3.625) 6.479 8.699 ( 4.609 -19.284 -0.495) 19.834 8.699 ( 4.609 19.284 -0.495) 19.834 8.790 ( -4.294 -12.772 -0.485) 13.483 8.790 ( -4.294 12.772 -0.485) 13.483 9.666 ( 2.781 -9.584 5.286) 11.293 9.666 ( 2.781 9.584 5.286) 11.293 9.735 ( -4.010 -9.431 8.132) 13.082 9.735 ( -4.010 9.431 8.132) 13.082 10.423 ( 0.062 -3.444 -1.625) 3.809 10.423 ( 0.062 3.444 -1.625) 3.809 10.453 ( -3.488 -4.935 -0.598) 6.073 10.453 ( -3.488 4.935 -0.598) 6.073 11.540 ( 1.895 -3.811 -1.136) 4.405 11.540 ( 1.895 3.811 -1.136) 4.405 11.550 ( 0.824 -2.903 -0.876) 3.143 11.550 ( 0.824 2.903 -0.876) 3.143 12.383 ( 4.303 -10.928 -1.082) 11.794 12.383 ( 4.303 10.928 -1.082) 11.794 12.465 ( -3.933 -14.318 -0.758) 14.868 12.465 ( -3.933 14.318 -0.758) 14.868 19.986 ( 8.920 -1.729 -2.504) 9.425 19.986 ( 8.920 1.729 -2.504) 9.425 20.161 ( -8.972 -2.031 -3.135) 9.719 20.161 ( -8.972 2.031 -3.135) 9.719 21.810 ( 6.876 -1.436 1.063) 7.104 21.810 ( 6.876 1.436 1.063) 7.104 21.941 ( -6.430 -1.191 0.111) 6.540 21.941 ( -6.430 1.191 0.111) 6.540 22.326 ( 13.627 -4.895 2.170) 14.641 22.326 ( 13.627 4.895 2.170) 14.641 22.589 ( -13.163 -5.431 2.031) 14.383 22.589 ( -13.163 5.431 2.031) 14.383 24.389 ( 20.075 -11.717 -1.780) 23.312 24.389 ( 20.075 11.717 -1.780) 23.312 24.784 ( -20.219 -10.134 -2.198) 22.723 24.784 ( -20.219 10.134 -2.198) 22.723 26.188 ( 4.204 -9.663 6.153) 12.203 26.188 ( 4.204 9.663 6.153) 12.203 26.282 ( -5.476 -10.966 9.162) 15.303 26.282 ( -5.476 10.966 9.162) 15.303 27.435 ( 2.526 -9.694 -2.134) 10.242 27.435 ( 2.526 9.694 -2.134) 10.242 27.497 ( -3.977 -9.672 0.120) 10.458 27.497 ( -3.977 9.672 0.120) 10.458 28.806 ( 25.209 -2.725 -3.082) 25.542 28.806 ( 25.209 2.725 -3.082) 25.542 29.299 ( -25.373 -1.187 -4.604) 25.815 29.299 ( -25.373 1.187 -4.604) 25.815 30.089 ( 8.743 -13.387 -0.246) 15.991 30.089 ( 8.743 13.387 -0.246) 15.991 30.287 ( -11.746 -11.163 -1.051) 16.238 30.287 ( -11.746 11.163 -1.051) 16.238 31.348 ( 7.466 -12.041 -3.523) 14.599 31.348 ( 7.466 12.041 -3.523) 14.599 31.490 ( -7.171 -11.750 -3.192) 14.131 31.490 ( -7.171 11.750 -3.192) 14.131 32.522 ( 9.223 -2.681 2.602) 9.951 32.522 ( 9.223 2.681 2.602) 9.951 32.708 ( -9.489 -1.035 0.502) 9.558 32.708 ( -9.489 1.035 0.502) 9.558 35.083 ( 9.620 -3.524 0.956) 10.290 35.083 ( 9.620 3.524 0.956) 10.290 35.222 ( -5.066 -5.581 0.077) 7.538 35.222 ( -5.066 5.581 0.077) 7.538 36.277 ( 25.156 -1.537 1.608) 25.254 36.277 ( 25.156 1.537 1.608) 25.254 36.631 ( 14.695 -0.844 -3.328) 15.090 36.631 ( 14.695 0.844 -3.328) 15.090 36.792 ( -9.237 -0.699 4.872) 10.467 36.792 ( -9.237 0.699 4.872) 10.467 37.213 ( -25.699 -0.511 -0.158) 25.704 37.213 ( -25.699 0.511 -0.158) 25.704 46.840 ( 1.670 -0.943 5.230) 5.570 46.840 ( 1.670 0.943 5.230) 5.570 46.872 ( -1.605 -0.653 4.946) 5.241 46.872 ( -1.605 0.653 4.946) 5.241 48.163 ( 0.336 -1.423 -3.218) 3.534 48.163 ( 0.336 1.423 -3.218) 3.534 48.172 ( -0.516 -1.102 -3.289) 3.507 48.172 ( -0.516 1.102 -3.289) 3.507 49.847 ( 2.774 -4.125 0.193) 4.975 49.847 ( 2.774 4.125 0.193) 4.975 49.900 ( -2.586 -5.092 0.036) 5.711 49.900 ( -2.586 5.092 0.036) 5.711 72.821 ( 1.702 -1.805 11.483) 11.748 72.821 ( 1.702 1.805 11.483) 11.748 72.858 ( -2.075 -2.821 14.473) 14.890 72.858 ( -2.075 2.821 14.473) 14.890 76.116 ( 3.042 -11.236 -14.178) 18.345 76.116 ( 3.042 11.236 -14.178) 18.345 76.187 ( -4.352 -12.036 -15.353) 19.988 76.187 ( -4.352 12.036 -15.353) 19.988 76.890 ( 4.803 -21.146 7.636) 22.990 76.890 ( 4.803 21.146 7.636) 22.990 77.023 ( -8.726 -21.840 4.596) 23.963 77.023 ( -8.726 21.840 4.596) 23.963 79.205 ( 5.560 -42.122 -6.712) 43.014 79.205 ( 5.560 42.122 -6.712) 43.014 79.308 ( -5.329 -45.619 -3.061) 46.032 79.308 ( -5.329 45.619 -3.061) 46.032 85.740 ( 5.236 -18.375 -6.801) 20.280 85.740 ( 5.236 18.375 -6.801) 20.280 85.845 ( -5.380 -17.644 -11.372) 21.670 85.845 ( -5.380 17.644 -11.372) 21.670 86.722 ( 11.110 -6.324 7.198) 14.671 86.722 ( 11.110 6.324 7.198) 14.671 86.920 ( -9.754 -7.689 14.552) 19.132 86.920 ( -9.754 7.689 14.552) 19.132 102.819 ( 3.132 -0.658 0.510) 3.241 102.819 ( 3.132 0.658 0.510) 3.241 102.880 ( -3.092 -0.716 0.376) 3.196 102.880 ( -3.092 0.716 0.376) 3.196 103.157 ( 2.907 -5.622 -1.689) 6.550 103.157 ( 2.907 5.622 -1.689) 6.550 103.218 ( -3.468 -8.432 -2.801) 9.538 103.218 ( -3.468 8.432 -2.801) 9.538 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 0.000 22.356) 22.356 0.971 ( 0.000 0.000 24.629) 24.629 1.590 ( 0.000 0.000 30.230) 30.230 1.934 ( 0.000 0.000 7.372) 7.372 2.025 ( 0.000 0.000 6.627) 6.627 2.228 ( 0.000 0.000 -1.056) 1.056 2.244 ( 0.000 0.000 -15.434) 15.434 2.322 ( 0.000 0.000 -2.849) 2.849 2.619 ( 0.000 0.000 5.960) 5.960 2.689 ( 0.000 0.000 7.615) 7.615 2.936 ( 0.000 0.000 0.017) 0.017 3.018 ( 0.000 0.000 1.069) 1.069 3.044 ( 0.000 0.000 -0.609) 0.609 3.466 ( 0.000 0.000 8.382) 8.382 3.634 ( 0.000 0.000 -4.609) 4.609 3.782 ( 0.000 0.000 3.798) 3.798 3.898 ( 0.000 0.000 6.748) 6.748 4.013 ( 0.000 0.000 4.493) 4.493 4.158 ( 0.000 0.000 -8.993) 8.993 4.186 ( 0.000 0.000 -8.276) 8.276 4.208 ( 0.000 0.000 -5.327) 5.327 4.283 ( 0.000 0.000 1.556) 1.556 4.441 ( 0.000 0.000 -5.866) 5.866 4.698 ( 0.000 0.000 -7.477) 7.477 4.721 ( 0.000 0.000 -10.381) 10.381 4.776 ( 0.000 0.000 1.008) 1.008 4.833 ( 0.000 0.000 -5.490) 5.490 5.004 ( 0.000 0.000 0.327) 0.327 5.034 ( 0.000 0.000 1.289) 1.289 5.053 ( 0.000 0.000 -11.038) 11.038 5.115 ( 0.000 0.000 4.184) 4.184 5.236 ( 0.000 0.000 2.911) 2.911 5.318 ( 0.000 0.000 -9.039) 9.039 5.513 ( 0.000 0.000 5.752) 5.752 5.528 ( 0.000 0.000 1.994) 1.994 5.692 ( 0.000 0.000 -4.910) 4.910 5.826 ( 0.000 0.000 -2.023) 2.023 5.877 ( 0.000 0.000 1.373) 1.373 6.113 ( 0.000 0.000 1.063) 1.063 6.255 ( 0.000 0.000 5.856) 5.856 6.301 ( 0.000 0.000 -6.021) 6.021 6.508 ( 0.000 0.000 -8.976) 8.976 6.565 ( 0.000 0.000 8.286) 8.286 7.059 ( 0.000 0.000 -3.474) 3.474 7.114 ( 0.000 0.000 3.765) 3.765 7.313 ( 0.000 0.000 5.617) 5.617 7.344 ( 0.000 0.000 0.929) 0.929 7.654 ( 0.000 0.000 2.099) 2.099 7.744 ( 0.000 0.000 9.005) 9.005 7.756 ( 0.000 0.000 0.079) 0.079 7.869 ( 0.000 0.000 6.591) 6.591 7.874 ( 0.000 0.000 -3.864) 3.864 8.051 ( 0.000 0.000 13.950) 13.950 8.742 ( 0.000 0.000 0.058) 0.058 9.023 ( 0.000 0.000 -1.679) 1.679 9.359 ( 0.000 0.000 6.922) 6.922 9.363 ( 0.000 0.000 -4.322) 4.322 9.870 ( 0.000 0.000 6.414) 6.414 10.062 ( 0.000 0.000 5.730) 5.730 10.247 ( 0.000 0.000 -4.715) 4.715 10.406 ( 0.000 0.000 0.991) 0.991 10.521 ( 0.000 0.000 -10.463) 10.463 10.858 ( 0.000 0.000 -1.888) 1.888 10.935 ( 0.000 0.000 -6.426) 6.426 11.054 ( 0.000 0.000 -6.020) 6.020 11.136 ( 0.000 0.000 -9.449) 9.449 11.361 ( 0.000 0.000 9.209) 9.209 11.386 ( 0.000 0.000 2.999) 2.999 11.901 ( 0.000 0.000 6.354) 6.354 12.273 ( 0.000 0.000 1.753) 1.753 12.586 ( 0.000 0.000 -5.087) 5.087 12.636 ( 0.000 0.000 -2.651) 2.651 19.615 ( 0.000 0.000 -0.822) 0.822 19.741 ( 0.000 0.000 1.545) 1.545 20.253 ( 0.000 0.000 -9.866) 9.866 20.406 ( 0.000 0.000 -8.339) 8.339 21.664 ( 0.000 0.000 7.964) 7.964 21.733 ( 0.000 0.000 2.033) 2.033 21.785 ( 0.000 0.000 7.673) 7.673 21.869 ( 0.000 0.000 0.090) 0.090 22.147 ( 0.000 0.000 -0.584) 0.584 22.147 ( 0.000 0.000 0.682) 0.682 22.820 ( 0.000 0.000 0.994) 0.994 23.138 ( 0.000 0.000 -5.364) 5.364 23.342 ( 0.000 0.000 3.713) 3.713 23.952 ( 0.000 0.000 -6.445) 6.445 25.782 ( 0.000 0.000 -7.182) 7.182 25.785 ( 0.000 0.000 -2.426) 2.426 25.935 ( 0.000 0.000 10.638) 10.638 26.317 ( 0.000 0.000 16.855) 16.855 26.530 ( 0.000 0.000 13.037) 13.037 26.866 ( 0.000 0.000 -4.141) 4.141 27.204 ( 0.000 0.000 1.980) 1.980 27.217 ( 0.000 0.000 26.612) 26.612 27.705 ( 0.000 0.000 -2.502) 2.502 27.765 ( 0.000 0.000 -2.327) 2.327 27.883 ( 0.000 0.000 -7.092) 7.092 28.245 ( 0.000 0.000 5.845) 5.845 29.454 ( 0.000 0.000 4.799) 4.799 29.903 ( 0.000 0.000 -22.321) 22.321 29.994 ( 0.000 0.000 -24.916) 24.916 30.381 ( 0.000 0.000 4.513) 4.513 30.532 ( 0.000 0.000 -1.060) 1.060 30.753 ( 0.000 0.000 -8.915) 8.915 30.933 ( 0.000 0.000 -0.168) 0.168 31.166 ( 0.000 0.000 -7.825) 7.825 31.600 ( 0.000 0.000 0.546) 0.546 31.652 ( 0.000 0.000 -4.833) 4.833 32.456 ( 0.000 0.000 11.219) 11.219 32.652 ( 0.000 0.000 4.638) 4.638 32.942 ( 0.000 0.000 -1.776) 1.776 32.969 ( 0.000 0.000 -1.451) 1.451 34.604 ( 0.000 0.000 6.344) 6.344 34.690 ( 0.000 0.000 3.602) 3.602 34.910 ( 0.000 0.000 4.324) 4.324 35.096 ( 0.000 0.000 -0.560) 0.560 35.111 ( 0.000 0.000 3.092) 3.092 35.583 ( 0.000 0.000 -7.825) 7.825 35.630 ( 0.000 0.000 0.449) 0.449 35.864 ( 0.000 0.000 -7.325) 7.325 37.574 ( 0.000 0.000 8.044) 8.044 37.628 ( 0.000 0.000 5.850) 5.850 37.888 ( 0.000 0.000 1.174) 1.174 37.991 ( 0.000 0.000 1.286) 1.286 46.847 ( 0.000 0.000 10.618) 10.618 46.928 ( 0.000 0.000 6.602) 6.602 47.114 ( 0.000 0.000 10.336) 10.336 47.168 ( 0.000 0.000 9.414) 9.414 47.933 ( 0.000 0.000 -5.138) 5.138 47.988 ( 0.000 0.000 -9.059) 9.059 48.082 ( 0.000 0.000 -8.472) 8.472 48.214 ( 0.000 0.000 -5.369) 5.369 49.707 ( 0.000 0.000 0.664) 0.664 49.781 ( 0.000 0.000 -0.638) 0.638 49.949 ( 0.000 0.000 1.571) 1.571 50.112 ( 0.000 0.000 -0.837) 0.837 72.949 ( 0.000 0.000 13.136) 13.136 73.054 ( 0.000 0.000 16.886) 16.886 73.167 ( 0.000 0.000 22.022) 22.022 74.820 ( 0.000 0.000 -19.923) 19.923 75.343 ( 0.000 0.000 -16.228) 16.228 75.776 ( 0.000 0.000 -28.439) 28.439 75.964 ( 0.000 0.000 1.953) 1.953 76.346 ( 0.000 0.000 8.899) 8.899 76.780 ( 0.000 0.000 -14.026) 14.026 76.923 ( 0.000 0.000 11.735) 11.735 77.052 ( 0.000 0.000 -6.056) 6.056 77.668 ( 0.000 0.000 -0.572) 0.572 78.007 ( 0.000 0.000 6.136) 6.136 78.555 ( 0.000 0.000 8.111) 8.111 79.293 ( 0.000 0.000 -14.848) 14.848 79.944 ( 0.000 0.000 -10.480) 10.480 85.159 ( 0.000 0.000 -1.525) 1.525 85.379 ( 0.000 0.000 0.311) 0.311 85.792 ( 0.000 0.000 -1.810) 1.810 85.823 ( 0.000 0.000 2.584) 2.584 86.098 ( 0.000 0.000 0.964) 0.964 86.192 ( 0.000 0.000 -5.868) 5.868 87.740 ( 0.000 0.000 20.085) 20.085 88.322 ( 0.000 0.000 0.196) 0.196 102.704 ( 0.000 0.000 0.636) 0.636 102.760 ( 0.000 0.000 2.511) 2.511 102.823 ( 0.000 0.000 -1.501) 1.501 102.984 ( 0.000 0.000 0.631) 0.631 103.015 ( 0.000 0.000 -0.122) 0.122 103.028 ( 0.000 0.000 0.490) 0.490 103.141 ( 0.000 0.000 -1.258) 1.258 103.316 ( 0.000 0.000 -7.437) 7.437 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 4.582 0.000 20.209) 20.722 1.079 ( 10.505 0.000 20.672) 23.188 1.712 ( 8.726 0.000 17.179) 19.268 1.936 ( 2.803 0.000 10.987) 11.339 2.086 ( 5.068 0.000 9.672) 10.919 2.152 ( -5.052 0.000 -5.891) 7.761 2.248 ( -1.840 0.000 -6.419) 6.677 2.277 ( -4.428 0.000 -2.099) 4.901 2.581 ( -3.727 0.000 6.537) 7.525 2.641 ( -4.908 0.000 7.541) 8.998 2.838 ( -10.792 0.000 2.335) 11.042 2.893 ( -11.930 0.000 0.276) 11.933 3.128 ( 10.624 0.000 -0.565) 10.639 3.481 ( 1.528 0.000 6.410) 6.589 3.623 ( -0.941 0.000 -5.226) 5.310 3.749 ( -3.675 0.000 -0.005) 3.675 3.867 ( -2.780 0.000 3.266) 4.289 4.102 ( 7.743 0.000 1.818) 7.953 4.114 ( -3.997 0.000 -7.474) 8.475 4.195 ( -2.130 0.000 -5.745) 6.127 4.213 ( 3.127 0.000 -6.154) 6.903 4.303 ( 2.320 0.000 1.719) 2.887 4.399 ( -5.574 0.000 -7.087) 9.017 4.508 ( -10.501 0.000 -5.456) 11.834 4.793 ( -1.156 0.000 -0.645) 1.324 4.829 ( 4.932 0.000 1.524) 5.162 4.912 ( 7.412 0.000 -11.593) 13.760 4.933 ( -5.474 0.000 1.046) 5.573 5.012 ( 4.358 0.000 -6.394) 7.738 5.044 ( -0.225 0.000 1.681) 1.696 5.197 ( 2.939 0.000 4.200) 5.126 5.271 ( -4.569 0.000 -8.130) 9.326 5.370 ( 9.202 0.000 -0.914) 9.247 5.517 ( 0.823 0.000 5.687) 5.747 5.576 ( 4.667 0.000 -0.883) 4.750 5.681 ( -1.128 0.000 -4.800) 4.931 5.787 ( -3.267 0.000 -0.915) 3.393 5.940 ( 5.648 0.000 1.008) 5.738 6.106 ( -0.234 0.000 -0.051) 0.240 6.197 ( -5.895 0.000 5.750) 8.235 6.314 ( 1.348 0.000 -5.498) 5.661 6.472 ( -3.658 0.000 -5.859) 6.907 6.540 ( -2.458 0.000 7.507) 7.900 6.969 ( -7.960 0.000 -2.821) 8.445 7.078 ( -0.401 0.000 4.491) 4.509 7.403 ( 4.678 0.000 0.183) 4.681 7.408 ( 5.702 0.000 1.314) 5.852 7.661 ( 0.835 0.000 1.979) 2.148 7.715 ( -3.013 0.000 -0.623) 3.077 7.736 ( -0.328 0.000 8.668) 8.674 7.858 ( -2.060 0.000 6.477) 6.797 7.896 ( 1.136 0.000 -2.721) 2.949 8.091 ( 4.413 0.000 12.106) 12.885 8.739 ( -1.185 0.000 0.513) 1.291 8.920 ( -8.203 0.000 0.743) 8.236 9.315 ( -4.794 0.000 -5.171) 7.052 9.383 ( 2.496 0.000 7.257) 7.674 9.840 ( -3.018 0.000 6.477) 7.146 10.077 ( 1.517 0.000 5.756) 5.953 10.244 ( -0.158 0.000 -3.999) 4.002 10.399 ( -0.875 0.000 1.161) 1.454 10.455 ( -6.009 0.000 -6.691) 8.994 10.885 ( 2.352 0.000 -1.734) 2.922 10.924 ( -0.489 0.000 -5.615) 5.636 11.046 ( -0.582 0.000 -2.091) 2.170 11.105 ( -1.892 0.000 -8.530) 8.737 11.376 ( 1.915 0.000 4.921) 5.281 11.433 ( 3.700 0.000 4.158) 5.566 11.919 ( 1.945 0.000 6.268) 6.562 12.279 ( -0.990 0.000 3.120) 3.273 12.416 ( -4.420 0.000 0.603) 4.461 12.793 ( 4.660 0.000 -9.910) 10.951 19.648 ( 3.348 0.000 -1.152) 3.541 19.761 ( 2.542 0.000 1.217) 2.819 20.223 ( -3.014 0.000 -9.190) 9.671 20.385 ( -2.607 0.000 -7.786) 8.210 21.655 ( -0.109 0.000 5.272) 5.273 21.797 ( 6.708 0.000 2.642) 7.209 21.801 ( 1.690 0.000 7.403) 7.593 21.968 ( 8.660 0.000 0.737) 8.691 22.113 ( -3.061 0.000 -0.274) 3.073 22.135 ( -1.407 0.000 0.103) 1.410 22.795 ( -2.764 0.000 1.713) 3.252 23.081 ( -5.892 0.000 -5.035) 7.750 23.440 ( 10.160 0.000 3.516) 10.751 24.072 ( 11.293 0.000 -8.158) 13.931 25.501 ( -20.711 0.000 5.576) 21.448 25.702 ( -11.564 0.000 -7.562) 13.817 25.954 ( 1.934 0.000 10.542) 10.718 26.295 ( -2.255 0.000 15.869) 16.029 26.537 ( 0.879 0.000 12.031) 12.063 26.884 ( 1.867 0.000 -4.295) 4.683 27.193 ( -1.099 0.000 0.922) 1.435 27.263 ( -1.731 0.000 19.330) 19.407 27.665 ( -1.603 0.000 -1.011) 1.895 27.866 ( 6.338 0.000 -4.116) 7.557 27.964 ( 11.143 0.000 -7.238) 13.288 28.227 ( -0.076 0.000 6.962) 6.962 29.490 ( 3.740 0.000 4.604) 5.932 29.802 ( -16.013 0.000 -18.402) 24.393 29.849 ( -6.530 0.000 -20.072) 21.108 30.498 ( -2.922 0.000 -2.106) 3.601 30.511 ( 9.275 0.000 -0.141) 9.276 30.676 ( -8.794 0.000 -4.226) 9.757 30.850 ( -6.441 0.000 -5.438) 8.430 31.236 ( 6.405 0.000 -7.699) 10.015 31.471 ( -10.020 0.000 1.595) 10.146 31.693 ( 2.054 0.000 -5.296) 5.681 32.444 ( -1.111 0.000 9.946) 10.008 32.613 ( -2.820 0.000 4.920) 5.671 32.917 ( -2.523 0.000 -1.563) 2.967 32.948 ( -2.793 0.000 -3.255) 4.289 34.720 ( 11.890 0.000 6.539) 13.569 34.732 ( 5.645 0.000 3.779) 6.794 35.102 ( 0.419 0.000 1.518) 1.575 35.163 ( 22.948 0.000 2.903) 23.131 35.359 ( 22.246 0.000 0.290) 22.248 35.605 ( -1.921 0.000 0.404) 1.964 35.674 ( 9.959 0.000 -6.909) 12.121 35.945 ( 8.489 0.000 -6.371) 10.614 37.483 ( -9.391 0.000 7.886) 12.263 37.532 ( -9.737 0.000 5.703) 11.284 37.828 ( -7.025 0.000 -0.727) 7.062 37.901 ( -9.297 0.000 1.094) 9.361 46.862 ( 1.565 0.000 10.575) 10.690 46.932 ( 0.488 0.000 6.899) 6.916 47.096 ( -1.608 0.000 10.493) 10.615 47.152 ( -1.687 0.000 9.489) 9.638 47.947 ( 1.311 0.000 -5.368) 5.525 47.999 ( 1.113 0.000 -8.841) 8.911 48.080 ( -0.279 0.000 -8.329) 8.334 48.202 ( -1.168 0.000 -5.519) 5.641 49.715 ( 0.665 0.000 0.727) 0.986 49.781 ( 0.161 0.000 -0.322) 0.360 49.932 ( -1.131 0.000 2.367) 2.624 50.114 ( -0.272 0.000 -1.845) 1.865 72.959 ( 0.983 0.000 13.533) 13.569 73.080 ( 2.746 0.000 17.923) 18.132 73.154 ( -1.341 0.000 21.505) 21.547 74.853 ( 3.258 0.000 -19.899) 20.164 75.013 ( -59.506 0.000 31.435) 67.299 75.321 ( -2.323 0.000 -16.601) 16.763 75.910 ( 4.285 0.000 -22.322) 22.729 76.365 ( 1.948 0.000 9.170) 9.375 76.778 ( -3.357 0.000 -16.135) 16.480 76.832 ( -6.400 0.000 8.876) 10.942 77.147 ( 6.881 0.000 -2.823) 7.438 77.649 ( -1.996 0.000 -0.779) 2.143 78.022 ( 2.357 0.000 5.003) 5.531 78.573 ( -2.458 0.000 5.470) 5.997 79.607 ( 18.055 0.000 -19.691) 26.716 80.304 ( 29.934 0.000 -36.875) 47.495 85.094 ( -5.701 0.000 0.841) 5.763 85.270 ( -8.648 0.000 3.055) 9.172 85.857 ( 6.007 0.000 -3.264) 6.837 85.943 ( 9.236 0.000 -1.681) 9.388 86.186 ( 7.846 0.000 0.645) 7.872 86.222 ( 3.478 0.000 -5.196) 6.253 87.668 ( -7.388 0.000 19.425) 20.783 88.103 ( -18.364 0.000 10.482) 21.145 102.717 ( 1.293 0.000 0.590) 1.421 102.772 ( 1.306 0.000 2.409) 2.740 102.834 ( 1.075 0.000 -1.610) 1.936 102.974 ( -0.897 0.000 0.763) 1.178 103.011 ( -1.640 0.000 0.630) 1.757 103.014 ( -0.207 0.000 -0.202) 0.290 103.138 ( 0.740 0.000 -0.949) 1.203 103.373 ( 3.389 0.000 -10.476) 11.011 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 17.654 0.000 11.514) 21.077 1.336 ( 15.269 0.000 13.572) 20.429 1.831 ( 5.391 0.000 0.399) 5.405 2.065 ( -3.745 0.000 -3.429) 5.078 2.072 ( 8.126 0.000 11.154) 13.800 2.143 ( -8.445 0.000 1.669) 8.608 2.187 ( 4.209 0.000 14.501) 15.100 2.190 ( -4.585 0.000 -2.842) 5.394 2.463 ( -9.800 0.000 7.618) 12.412 2.517 ( -7.632 0.000 8.122) 11.145 2.558 ( -13.265 0.000 7.218) 15.102 2.687 ( -9.901 0.000 1.272) 9.982 3.379 ( 13.495 0.000 -3.987) 14.071 3.521 ( 2.829 0.000 1.733) 3.318 3.610 ( 0.164 0.000 -4.331) 4.334 3.681 ( -2.046 0.000 -4.681) 5.109 3.820 ( -1.139 0.000 -2.463) 2.714 4.023 ( -5.151 0.000 -7.571) 9.157 4.122 ( -5.300 0.000 -5.728) 7.804 4.159 ( -6.637 0.000 -9.555) 11.633 4.215 ( -3.916 0.000 -3.667) 5.364 4.305 ( -3.812 0.000 -2.745) 4.697 4.366 ( 3.997 0.000 2.811) 4.886 4.438 ( 8.705 0.000 1.338) 8.808 4.778 ( 0.521 0.000 0.439) 0.681 4.783 ( -8.748 0.000 0.605) 8.769 4.952 ( 4.225 0.000 2.492) 4.905 5.034 ( 3.972 0.000 -8.280) 9.183 5.054 ( 3.227 0.000 1.209) 3.446 5.138 ( 6.622 0.000 -4.068) 7.772 5.165 ( -5.301 0.000 -4.100) 6.701 5.232 ( 1.036 0.000 3.762) 3.901 5.481 ( 1.307 0.000 5.437) 5.592 5.542 ( 1.812 0.000 3.097) 3.588 5.626 ( -5.365 0.000 -4.325) 6.891 5.688 ( 5.109 0.000 -3.834) 6.388 5.756 ( 2.014 0.000 -0.260) 2.030 6.055 ( -7.344 0.000 2.737) 7.837 6.070 ( 7.613 0.000 0.944) 7.672 6.103 ( -0.857 0.000 -1.425) 1.663 6.355 ( 2.703 0.000 -3.373) 4.323 6.387 ( -4.271 0.000 -0.762) 4.338 6.480 ( -3.402 0.000 4.693) 5.796 6.792 ( -9.818 0.000 -2.255) 10.074 7.130 ( 5.189 0.000 3.342) 6.172 7.461 ( -0.701 0.000 -0.415) 0.815 7.490 ( 4.108 0.000 -0.313) 4.120 7.655 ( -2.147 0.000 -0.850) 2.309 7.703 ( 2.627 0.000 1.400) 2.977 7.736 ( -0.035 0.000 7.189) 7.189 7.792 ( -3.809 0.000 5.340) 6.559 7.894 ( -1.507 0.000 -1.515) 2.137 8.206 ( 6.758 0.000 9.321) 11.513 8.627 ( -9.169 0.000 6.455) 11.213 8.855 ( 1.642 0.000 -3.673) 4.024 9.194 ( -7.337 0.000 -6.834) 10.027 9.452 ( 4.524 0.000 7.887) 9.092 9.762 ( -4.811 0.000 6.990) 8.486 10.117 ( 2.595 0.000 5.574) 6.149 10.248 ( 0.764 0.000 -2.689) 2.796 10.335 ( -5.681 0.000 -0.468) 5.700 10.369 ( -2.228 0.000 1.152) 2.508 10.921 ( 1.299 0.000 -2.424) 2.750 10.940 ( 1.830 0.000 -3.847) 4.260 11.046 ( 0.582 0.000 -0.073) 0.586 11.082 ( -0.628 0.000 -7.632) 7.658 11.429 ( 3.337 0.000 1.550) 3.680 11.498 ( 2.560 0.000 2.135) 3.333 11.976 ( 3.791 0.000 5.370) 6.573 12.214 ( -4.108 0.000 4.991) 6.465 12.448 ( 5.145 0.000 -2.214) 5.601 12.799 ( -3.211 0.000 -8.750) 9.320 19.739 ( 5.987 0.000 -2.094) 6.343 19.846 ( 6.199 0.000 -0.253) 6.205 20.139 ( -5.632 0.000 -7.485) 9.367 20.298 ( -6.298 0.000 -5.979) 8.684 21.681 ( 2.927 0.000 2.323) 3.737 21.850 ( 3.385 0.000 6.103) 6.979 21.982 ( 12.143 0.000 3.187) 12.554 22.002 ( -5.543 0.000 -2.443) 6.057 22.089 ( -3.309 0.000 0.387) 3.331 22.202 ( 12.315 0.000 2.683) 12.604 22.703 ( -7.138 0.000 3.289) 7.859 22.920 ( -10.399 0.000 -4.071) 11.168 23.723 ( 18.818 0.000 3.035) 19.061 24.340 ( 15.825 0.000 -8.259) 17.851 25.082 ( -22.512 0.000 6.442) 23.416 25.397 ( -18.771 0.000 -5.981) 19.701 26.005 ( 3.286 0.000 10.543) 11.043 26.236 ( -3.710 0.000 13.853) 14.341 26.579 ( 3.796 0.000 11.842) 12.435 26.937 ( 3.631 0.000 -4.629) 5.883 27.104 ( -12.087 0.000 16.011) 20.061 27.161 ( -2.347 0.000 -1.463) 2.765 27.655 ( 0.590 0.000 0.454) 0.744 27.888 ( -4.341 0.000 -1.750) 4.680 28.285 ( 19.597 0.000 -10.155) 22.071 28.365 ( 15.229 0.000 3.995) 15.744 29.448 ( -19.933 0.000 -15.661) 25.349 29.592 ( 0.687 0.000 0.777) 1.038 29.622 ( -10.857 0.000 -9.778) 14.612 30.370 ( -14.593 0.000 -0.433) 14.600 30.517 ( -1.120 0.000 -4.139) 4.288 30.674 ( 7.720 0.000 1.779) 7.922 30.742 ( -4.952 0.000 -11.761) 12.761 31.230 ( -11.270 0.000 2.589) 11.563 31.407 ( 7.709 0.000 -5.884) 9.698 31.718 ( 0.012 0.000 -7.046) 7.046 32.437 ( 1.445 0.000 7.494) 7.632 32.590 ( 0.976 0.000 4.560) 4.664 32.849 ( -4.491 0.000 -0.680) 4.543 32.850 ( -7.195 0.000 -3.444) 7.977 34.883 ( 8.323 0.000 2.281) 8.630 35.001 ( 15.168 0.000 5.196) 16.033 35.107 ( -0.221 0.000 0.550) 0.593 35.491 ( -0.586 0.000 -2.298) 2.372 35.748 ( 26.102 0.000 4.779) 26.536 35.835 ( 24.805 0.000 0.099) 24.805 36.006 ( 25.104 0.000 -4.323) 25.473 36.203 ( 18.613 0.000 -4.531) 19.157 37.222 ( -17.311 0.000 7.419) 18.834 37.265 ( -17.624 0.000 5.228) 18.383 37.594 ( -17.373 0.000 -1.820) 17.468 37.636 ( -18.111 0.000 0.637) 18.122 46.906 ( 2.853 0.000 10.445) 10.828 46.948 ( 1.220 0.000 7.505) 7.603 47.059 ( -2.142 0.000 10.118) 10.342 47.106 ( -3.005 0.000 9.691) 10.146 47.978 ( 1.804 0.000 -5.713) 5.991 48.030 ( 2.021 0.000 -8.253) 8.497 48.069 ( -0.889 0.000 -7.740) 7.791 48.170 ( -2.094 0.000 -5.957) 6.314 49.730 ( 0.935 0.000 1.067) 1.418 49.786 ( 0.043 0.000 0.300) 0.303 49.927 ( 0.929 0.000 1.597) 1.848 50.090 ( -2.274 0.000 -2.075) 3.078 72.986 ( 1.801 0.000 14.660) 14.770 73.119 ( -2.193 0.000 20.129) 20.248 73.162 ( 5.850 0.000 21.066) 21.864 74.083 ( -35.698 0.000 41.807) 54.974 74.938 ( 5.339 0.000 -19.740) 20.449 75.257 ( -4.247 0.000 -17.496) 18.004 76.041 ( 8.897 0.000 -22.660) 24.344 76.419 ( 3.577 0.000 9.773) 10.407 76.657 ( -8.730 0.000 -17.349) 19.421 76.710 ( -6.127 0.000 9.518) 11.320 77.280 ( 6.778 0.000 -2.611) 7.263 77.594 ( -3.680 0.000 -1.315) 3.908 78.096 ( 5.166 0.000 3.170) 6.061 78.479 ( -6.354 0.000 3.288) 7.154 79.923 ( 16.566 0.000 -16.876) 23.648 80.671 ( 5.196 0.000 -47.644) 47.927 84.987 ( -4.454 0.000 4.487) 6.322 85.108 ( -7.631 0.000 5.209) 9.239 85.990 ( 7.087 0.000 -5.914) 9.230 86.099 ( 5.988 0.000 -6.135) 8.573 86.289 ( 4.926 0.000 -1.584) 5.174 86.376 ( 8.421 0.000 -0.704) 8.450 87.487 ( -9.175 0.000 18.914) 21.022 87.773 ( -14.518 0.000 16.593) 22.048 102.752 ( 2.254 0.000 0.424) 2.293 102.809 ( 2.430 0.000 2.088) 3.204 102.854 ( 0.593 0.000 -1.651) 1.754 102.957 ( -0.592 0.000 0.878) 1.059 102.971 ( -2.454 0.000 0.937) 2.627 103.005 ( -0.703 0.000 -0.335) 0.778 103.177 ( 3.148 0.000 -2.221) 3.853 103.394 ( -1.362 0.000 -10.260) 10.350 ======================= Grid point 73 (28/60) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 22.351 0.000 5.856) 23.105 1.638 ( 15.503 0.000 7.702) 17.311 1.914 ( -12.731 0.000 2.964) 13.072 1.981 ( 8.803 0.000 -0.047) 8.804 2.000 ( -15.525 0.000 3.740) 15.969 2.054 ( 0.423 0.000 0.781) 0.888 2.102 ( -4.015 0.000 -0.083) 4.016 2.222 ( -12.939 0.000 2.464) 13.172 2.281 ( 6.659 0.000 11.456) 13.251 2.414 ( -6.298 0.000 8.097) 10.258 2.431 ( 2.273 0.000 13.811) 13.996 2.523 ( -6.795 0.000 7.371) 10.025 3.515 ( 2.374 0.000 -4.469) 5.061 3.552 ( -1.368 0.000 -4.170) 4.388 3.717 ( 6.476 0.000 -7.337) 9.787 3.750 ( 13.339 0.000 -2.856) 13.641 3.843 ( 3.219 0.000 -7.127) 7.820 3.917 ( -13.224 0.000 -9.909) 16.524 3.924 ( -4.888 0.000 -7.306) 8.790 3.986 ( -9.081 0.000 -5.314) 10.521 4.215 ( 0.698 0.000 -1.845) 1.973 4.239 ( -2.194 0.000 -1.192) 2.496 4.456 ( 5.692 0.000 3.155) 6.508 4.600 ( -9.224 0.000 2.098) 9.460 4.642 ( 9.776 0.000 1.786) 9.938 4.771 ( -3.015 0.000 1.361) 3.308 4.987 ( 1.471 0.000 0.606) 1.591 5.040 ( -3.976 0.000 -2.588) 4.745 5.087 ( 3.191 0.000 -4.147) 5.233 5.164 ( -3.474 0.000 -3.273) 4.773 5.246 ( 11.260 0.000 1.622) 11.376 5.317 ( 6.897 0.000 4.355) 8.157 5.433 ( -4.868 0.000 5.557) 7.388 5.467 ( -10.672 0.000 -1.874) 10.836 5.600 ( 4.776 0.000 1.130) 4.908 5.715 ( -4.805 0.000 -1.569) 5.055 5.812 ( 5.054 0.000 3.683) 6.253 5.937 ( -6.495 0.000 -0.744) 6.538 6.149 ( 7.763 0.000 -2.090) 8.039 6.222 ( 7.805 0.000 1.264) 7.907 6.301 ( -6.013 0.000 -2.210) 6.406 6.351 ( -4.815 0.000 2.346) 5.356 6.477 ( 4.731 0.000 -2.049) 5.156 6.611 ( -8.592 0.000 -1.973) 8.816 7.252 ( 6.997 0.000 2.606) 7.466 7.385 ( -6.315 0.000 1.342) 6.456 7.560 ( 3.181 0.000 -0.473) 3.216 7.613 ( -2.313 0.000 -0.792) 2.445 7.732 ( 0.061 0.000 5.080) 5.080 7.745 ( -1.255 0.000 4.854) 5.014 7.770 ( 3.891 0.000 0.491) 3.922 7.843 ( -3.505 0.000 -0.494) 3.540 8.334 ( 6.522 0.000 7.865) 10.217 8.465 ( -7.399 0.000 7.610) 10.614 8.926 ( 5.321 0.000 -6.855) 8.678 9.050 ( -7.249 0.000 -7.755) 10.615 9.551 ( 5.603 0.000 8.156) 9.895 9.661 ( -5.644 0.000 7.769) 9.602 10.174 ( 3.229 0.000 4.863) 5.837 10.243 ( -4.040 0.000 3.123) 5.106 10.275 ( 1.968 0.000 -1.231) 2.322 10.320 ( -2.613 0.000 0.251) 2.625 10.948 ( 1.346 0.000 -2.835) 3.139 10.962 ( 0.171 0.000 -2.991) 2.996 11.061 ( 0.807 0.000 -2.198) 2.341 11.073 ( -0.483 0.000 -5.015) 5.038 11.490 ( 2.664 0.000 -0.054) 2.664 11.521 ( -0.296 0.000 0.291) 0.415 12.056 ( 4.316 0.000 4.675) 6.363 12.137 ( -4.071 0.000 4.641) 6.174 12.568 ( 6.874 0.000 -3.907) 7.907 12.700 ( -6.463 0.000 -6.046) 8.850 19.870 ( 7.377 0.000 -3.555) 8.189 19.989 ( 8.340 0.000 -2.090) 8.598 20.013 ( -7.239 0.000 -5.431) 9.050 20.154 ( -8.382 0.000 -3.973) 9.276 21.763 ( 5.436 0.000 -0.019) 5.436 21.881 ( -6.514 0.000 -1.577) 6.702 21.927 ( 4.404 0.000 4.066) 5.994 22.013 ( -4.417 0.000 1.955) 4.830 22.245 ( 14.547 0.000 3.523) 14.967 22.453 ( 13.088 0.000 1.156) 13.139 22.513 ( -12.399 0.000 3.771) 12.960 22.698 ( -12.277 0.000 -1.878) 12.420 24.143 ( 24.177 0.000 2.839) 24.343 24.619 ( -21.030 0.000 4.746) 21.559 24.672 ( 13.971 0.000 -7.419) 15.819 25.025 ( -19.197 0.000 -5.155) 19.877 26.077 ( 4.049 0.000 11.018) 11.739 26.158 ( -4.259 0.000 12.104) 12.831 26.688 ( 7.591 0.000 13.093) 15.134 26.870 ( -11.249 0.000 14.778) 18.572 27.018 ( 4.540 0.000 -4.680) 6.521 27.101 ( -3.842 0.000 -3.688) 5.326 27.690 ( 3.122 0.000 1.392) 3.418 27.777 ( -5.765 0.000 1.028) 5.856 28.670 ( 20.068 0.000 -13.045) 23.935 28.744 ( 22.716 0.000 -1.142) 22.745 29.058 ( -20.334 0.000 -14.609) 25.038 29.200 ( -23.720 0.000 -6.339) 24.553 29.789 ( 11.932 0.000 3.490) 12.432 30.058 ( -15.793 0.000 2.610) 16.007 30.560 ( 4.036 0.000 -9.578) 10.394 30.648 ( -4.859 0.000 -11.834) 12.792 30.825 ( 8.492 0.000 4.417) 9.572 31.011 ( -10.773 0.000 4.831) 11.807 31.560 ( 7.386 0.000 -6.594) 9.901 31.676 ( -4.385 0.000 -7.069) 8.319 32.522 ( 7.143 0.000 3.438) 7.927 32.648 ( 4.634 0.000 2.952) 5.494 32.687 ( -9.218 0.000 -0.745) 9.248 32.750 ( -5.528 0.000 0.948) 5.608 35.015 ( 5.197 0.000 0.458) 5.217 35.085 ( -2.221 0.000 -0.057) 2.222 35.251 ( 10.409 0.000 2.192) 10.637 35.408 ( -6.266 0.000 -0.346) 6.275 36.281 ( 26.660 0.000 4.076) 26.969 36.312 ( 24.664 0.000 0.729) 24.675 36.523 ( 20.699 0.000 -3.744) 21.035 36.602 ( 12.703 0.000 -1.721) 12.819 36.877 ( -9.431 0.000 5.905) 11.127 36.903 ( -14.214 0.000 5.066) 15.090 37.178 ( -24.846 0.000 -0.983) 24.865 37.218 ( -24.531 0.000 0.241) 24.532 46.969 ( 3.619 0.000 10.232) 10.853 46.978 ( 1.832 0.000 8.294) 8.494 47.017 ( -2.158 0.000 9.234) 9.483 47.040 ( -3.686 0.000 9.963) 10.623 48.013 ( 1.826 0.000 -6.207) 6.470 48.046 ( -1.487 0.000 -6.925) 7.083 48.074 ( 2.551 0.000 -7.454) 7.879 48.125 ( -2.585 0.000 -6.636) 7.122 49.752 ( 1.290 0.000 1.266) 1.808 49.776 ( -1.052 0.000 1.081) 1.509 49.968 ( 3.065 0.000 -0.202) 3.071 50.033 ( -3.402 0.000 -1.409) 3.682 73.026 ( 2.328 0.000 16.333) 16.498 73.073 ( -2.484 0.000 18.272) 18.440 73.313 ( 10.267 0.000 26.479) 28.400 73.581 ( -18.509 0.000 34.245) 38.927 75.049 ( 5.990 0.000 -19.284) 20.192 75.161 ( -5.528 0.000 -18.491) 19.299 76.239 ( 11.278 0.000 -21.021) 23.855 76.460 ( -11.295 0.000 -19.088) 22.180 76.500 ( 4.721 0.000 10.255) 11.290 76.598 ( -5.494 0.000 10.217) 11.600 77.404 ( 5.993 0.000 -2.461) 6.478 77.510 ( -4.974 0.000 -1.964) 5.347 78.212 ( 6.709 0.000 1.923) 6.979 78.347 ( -7.110 0.000 1.902) 7.360 80.258 ( 17.729 0.000 -22.939) 28.992 80.568 ( -13.009 0.000 -35.282) 37.604 84.943 ( 0.062 0.000 6.308) 6.309 84.988 ( -4.497 0.000 6.324) 7.760 86.109 ( 4.761 0.000 -7.833) 9.166 86.157 ( 0.072 0.000 -8.138) 8.138 86.392 ( 5.301 0.000 0.990) 5.393 86.459 ( -0.359 0.000 1.314) 1.363 87.408 ( 1.977 0.000 16.165) 16.286 87.537 ( -10.162 0.000 15.113) 18.212 102.799 ( 2.561 0.000 0.055) 2.562 102.843 ( -1.719 0.000 -0.731) 1.868 102.862 ( 2.959 0.000 1.687) 3.406 102.919 ( -2.902 0.000 1.289) 3.175 102.962 ( 1.063 0.000 0.147) 1.073 102.986 ( -1.223 0.000 -0.325) 1.265 103.251 ( 4.358 0.000 -4.411) 6.201 103.336 ( -4.111 0.000 -7.307) 8.384 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 3.102 21.962) 22.180 1.097 ( 0.000 11.015 17.403) 20.596 1.625 ( 0.000 -18.654 3.178) 18.922 1.673 ( 0.000 -2.387 11.415) 11.662 2.044 ( 0.000 8.325 19.223) 20.948 2.257 ( 0.000 2.098 -1.816) 2.775 2.318 ( 0.000 -0.471 -2.502) 2.546 2.415 ( 0.000 5.660 -3.812) 6.824 2.613 ( 0.000 0.180 6.118) 6.121 2.671 ( 0.000 -1.492 7.396) 7.545 2.939 ( 0.000 0.288 -0.337) 0.443 3.007 ( 0.000 -2.381 -0.979) 2.574 3.184 ( 0.000 12.562 2.001) 12.720 3.512 ( 0.000 3.335 7.331) 8.054 3.636 ( 0.000 -1.220 0.935) 1.537 3.734 ( 0.000 -1.128 -1.261) 1.692 3.827 ( 0.000 -8.759 5.174) 10.172 4.059 ( 0.000 6.656 3.215) 7.392 4.081 ( 0.000 -8.805 -4.860) 10.057 4.234 ( 0.000 1.977 -4.863) 5.250 4.247 ( 0.000 6.436 -11.365) 13.061 4.279 ( 0.000 -0.380 -7.174) 7.184 4.436 ( 0.000 -2.106 -1.756) 2.742 4.616 ( 0.000 -8.116 -12.582) 14.972 4.710 ( 0.000 0.160 -6.927) 6.928 4.782 ( 0.000 -0.906 -0.367) 0.978 4.824 ( 0.000 0.524 -0.247) 0.579 4.934 ( 0.000 -2.815 -1.711) 3.295 4.994 ( 0.000 -2.284 -1.062) 2.519 5.103 ( 0.000 -1.487 -1.341) 2.002 5.140 ( 0.000 3.492 3.648) 5.050 5.210 ( 0.000 3.042 -4.219) 5.202 5.324 ( 0.000 -1.907 0.896) 2.107 5.532 ( 0.000 0.914 6.102) 6.170 5.541 ( 0.000 3.238 -3.229) 4.573 5.708 ( 0.000 -1.143 -5.350) 5.471 5.746 ( 0.000 -6.741 -2.728) 7.272 5.816 ( 0.000 -5.233 3.156) 6.111 6.028 ( 0.000 -0.352 -1.229) 1.279 6.208 ( 0.000 -4.019 -1.017) 4.146 6.466 ( 0.000 9.373 -3.627) 10.051 6.524 ( 0.000 5.814 2.064) 6.170 6.716 ( 0.000 6.098 -0.800) 6.150 6.948 ( 0.000 -5.637 -2.177) 6.043 7.247 ( 0.000 5.418 5.290) 7.573 7.288 ( 0.000 -0.675 2.591) 2.678 7.435 ( 0.000 5.643 6.868) 8.889 7.610 ( 0.000 -5.708 2.013) 6.052 7.701 ( 0.000 -1.176 4.174) 4.336 7.793 ( 0.000 -1.062 5.646) 5.745 7.809 ( 0.000 2.743 3.261) 4.261 7.925 ( 0.000 0.158 0.156) 0.221 8.126 ( 0.000 9.515 8.977) 13.081 8.676 ( 0.000 -4.954 -2.134) 5.394 8.882 ( 0.000 -7.085 -1.554) 7.253 9.187 ( 0.000 -15.223 -4.015) 15.744 9.466 ( 0.000 8.008 6.340) 10.214 9.882 ( 0.000 1.832 7.691) 7.906 9.949 ( 0.000 -10.629 4.244) 11.445 10.113 ( 0.000 -6.938 2.043) 7.233 10.418 ( 0.000 -4.807 -5.078) 6.992 10.425 ( 0.000 -0.174 -1.574) 1.584 10.797 ( 0.000 -0.111 -9.263) 9.264 10.875 ( 0.000 -2.327 -7.792) 8.132 11.254 ( 0.000 8.735 -0.831) 8.775 11.339 ( 0.000 8.620 -7.148) 11.198 11.424 ( 0.000 4.579 5.166) 6.903 11.459 ( 0.000 2.947 -1.951) 3.534 11.965 ( 0.000 7.520 5.423) 9.271 12.268 ( 0.000 -0.925 1.224) 1.534 12.561 ( 0.000 -1.718 -3.649) 4.034 12.605 ( 0.000 -2.288 -0.372) 2.319 19.628 ( 0.000 1.104 -0.545) 1.232 19.711 ( 0.000 -2.149 1.324) 2.524 20.274 ( 0.000 1.805 -9.682) 9.849 20.382 ( 0.000 -2.015 -8.608) 8.840 21.679 ( 0.000 1.225 7.863) 7.958 21.756 ( 0.000 -1.800 7.754) 7.960 21.767 ( 0.000 2.897 2.169) 3.619 21.892 ( 0.000 0.094 -0.308) 0.322 22.144 ( 0.000 -0.160 -0.417) 0.446 22.146 ( 0.000 -0.085 0.420) 0.428 22.879 ( 0.000 4.965 0.727) 5.018 23.120 ( 0.000 -2.195 -4.582) 5.080 23.429 ( 0.000 7.313 2.143) 7.621 23.862 ( 0.000 -7.594 -5.430) 9.335 25.467 ( 0.000 -12.683 4.671) 13.516 25.632 ( 0.000 -11.168 -6.186) 12.767 26.016 ( 0.000 5.514 10.279) 11.664 26.386 ( 0.000 -9.400 11.270) 14.676 26.594 ( 0.000 14.665 14.219) 20.426 26.996 ( 0.000 7.399 -2.439) 7.791 27.124 ( 0.000 -4.554 22.870) 23.319 27.426 ( 0.000 15.493 4.489) 16.131 27.556 ( 0.000 -10.609 -2.441) 10.887 27.812 ( 0.000 3.606 -2.551) 4.418 27.919 ( 0.000 0.805 -5.632) 5.689 28.126 ( 0.000 -10.441 5.105) 11.622 29.525 ( 0.000 5.448 1.744) 5.720 29.826 ( 0.000 -6.112 -15.931) 17.063 29.998 ( 0.000 2.289 -18.026) 18.171 30.274 ( 0.000 -6.415 -1.810) 6.666 30.685 ( 0.000 9.384 -1.110) 9.449 30.774 ( 0.000 2.180 -7.387) 7.701 30.897 ( 0.000 -2.951 -0.343) 2.971 31.087 ( 0.000 -6.004 -6.788) 9.062 31.620 ( 0.000 1.514 -1.021) 1.826 31.651 ( 0.000 0.090 -4.927) 4.928 32.463 ( 0.000 0.900 10.846) 10.883 32.604 ( 0.000 -3.875 5.991) 7.135 32.965 ( 0.000 1.092 -2.559) 2.782 32.971 ( 0.000 0.160 -1.614) 1.622 34.597 ( 0.000 -0.210 5.822) 5.826 34.659 ( 0.000 -2.279 4.111) 4.700 34.913 ( 0.000 1.041 2.523) 2.729 35.055 ( 0.000 -3.327 -0.480) 3.362 35.208 ( 0.000 7.317 3.585) 8.148 35.549 ( 0.000 -5.125 -0.529) 5.152 35.654 ( 0.000 4.033 -5.592) 6.895 35.839 ( 0.000 -2.298 -7.177) 7.536 37.576 ( 0.000 0.309 7.562) 7.568 37.615 ( 0.000 -0.987 6.091) 6.171 37.929 ( 0.000 3.097 0.853) 3.213 38.011 ( 0.000 0.743 -0.087) 0.748 46.874 ( 0.000 2.261 10.428) 10.670 46.937 ( 0.000 0.688 6.920) 6.954 47.076 ( 0.000 -2.655 10.659) 10.984 47.119 ( 0.000 -3.638 8.782) 9.505 47.998 ( 0.000 5.032 -4.752) 6.921 48.005 ( 0.000 1.368 -9.017) 9.121 48.071 ( 0.000 -0.971 -8.426) 8.482 48.197 ( 0.000 -1.923 -5.308) 5.646 49.724 ( 0.000 1.435 0.672) 1.585 49.797 ( 0.000 0.412 -0.870) 0.963 49.924 ( 0.000 -0.422 2.643) 2.676 50.072 ( 0.000 -3.342 -0.514) 3.381 72.954 ( 0.000 0.517 13.418) 13.428 73.025 ( 0.000 -2.179 15.938) 16.087 73.230 ( 0.000 5.910 23.498) 24.230 74.065 ( 0.000 -38.872 24.741) 46.078 75.424 ( 0.000 11.125 -17.756) 20.953 75.750 ( 0.000 -2.319 -27.254) 27.353 75.822 ( 0.000 2.555 -15.690) 15.897 76.473 ( 0.000 -19.077 -15.868) 24.814 76.987 ( 0.000 5.856 11.509) 12.913 77.280 ( 0.000 10.660 -4.733) 11.664 77.394 ( 0.000 36.362 -22.720) 42.876 77.508 ( 0.000 -10.121 3.866) 10.835 78.050 ( 0.000 9.303 3.342) 9.885 78.654 ( 0.000 3.805 2.634) 4.628 79.265 ( 0.000 0.391 -15.669) 15.674 79.790 ( 0.000 -12.713 -9.807) 16.056 85.260 ( 0.000 7.940 -2.176) 8.232 85.454 ( 0.000 5.087 -2.924) 5.868 85.698 ( 0.000 -5.621 -4.098) 6.956 85.785 ( 0.000 -3.454 -2.132) 4.059 86.207 ( 0.000 5.925 3.223) 6.744 86.224 ( 0.000 2.506 -0.806) 2.632 87.752 ( 0.000 1.507 20.093) 20.149 88.108 ( 0.000 -14.487 11.472) 18.479 102.712 ( 0.000 0.665 0.890) 1.111 102.750 ( 0.000 -0.704 2.131) 2.244 102.941 ( 0.000 5.715 -4.140) 7.057 103.003 ( 0.000 2.186 -0.532) 2.250 103.015 ( 0.000 -0.410 0.018) 0.411 103.028 ( 0.000 0.417 0.152) 0.444 103.151 ( 0.000 1.557 -3.204) 3.563 103.296 ( 0.000 -1.833 -7.924) 8.133 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.14 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 4.118 1.861 21.086) 21.565 1.155 ( 8.752 10.956 15.509) 20.908 1.551 ( -2.524 -15.789 4.289) 16.554 1.805 ( 7.882 -9.732 6.230) 13.988 2.128 ( 7.509 9.386 18.744) 22.267 2.234 ( -2.326 2.251 -1.077) 3.412 2.281 ( -3.771 0.323 -1.125) 3.949 2.386 ( -2.960 7.263 -3.411) 8.553 2.582 ( -3.339 0.239 6.270) 7.108 2.623 ( -4.831 -1.334 7.438) 8.969 2.813 ( -10.672 -1.158 2.231) 10.964 2.865 ( -12.299 -1.940 1.224) 12.511 3.285 ( 8.582 11.400 -0.565) 14.281 3.511 ( 1.203 2.098 4.999) 5.553 3.628 ( -1.850 0.349 -2.501) 3.130 3.741 ( -0.671 0.611 -2.183) 2.364 3.876 ( 3.629 -4.169 3.035) 6.306 4.032 ( -0.278 -2.031 -1.811) 2.736 4.071 ( -2.434 -4.712 -5.747) 7.820 4.224 ( -2.768 5.774 -10.237) 12.075 4.255 ( 0.937 0.928 -5.016) 5.186 4.316 ( 3.305 -0.019 -3.634) 4.912 4.384 ( -3.766 -3.330 -0.757) 5.084 4.505 ( -5.508 1.973 -4.932) 7.653 4.740 ( 3.343 -5.612 -6.580) 9.272 4.790 ( -0.910 0.761 -1.188) 1.679 4.910 ( 0.621 -2.313 -0.867) 2.547 4.947 ( 5.258 -0.954 0.609) 5.379 5.012 ( 1.742 0.322 -5.572) 5.847 5.075 ( -1.545 0.289 0.576) 1.674 5.154 ( 0.101 0.516 2.184) 2.246 5.230 ( 1.771 -1.460 -2.373) 3.301 5.336 ( 1.598 -1.300 1.370) 2.474 5.527 ( -0.610 -0.142 5.570) 5.606 5.589 ( 4.179 2.238 -3.458) 5.868 5.713 ( 1.046 -1.109 -4.347) 4.607 5.730 ( -0.958 -4.310 -0.438) 4.437 5.863 ( 3.114 -6.420 1.252) 7.244 6.027 ( -0.338 -0.695 -2.042) 2.183 6.198 ( -0.516 -0.672 -0.640) 1.062 6.422 ( -3.823 4.811 -0.199) 6.149 6.485 ( -3.705 6.081 -0.209) 7.124 6.678 ( -3.695 6.200 0.751) 7.256 6.908 ( -4.052 -4.138 -2.740) 6.407 7.164 ( -2.764 5.052 5.076) 7.676 7.398 ( 5.519 -2.055 1.836) 6.169 7.473 ( 2.746 4.563 4.235) 6.804 7.611 ( 0.033 -3.873 1.294) 4.083 7.702 ( 0.281 0.428 3.171) 3.212 7.770 ( -1.910 -0.080 4.352) 4.753 7.794 ( -1.395 -0.683 5.014) 5.249 7.919 ( -0.687 0.008 -0.633) 0.934 8.170 ( 4.510 9.499 8.924) 13.791 8.694 ( 1.477 -3.471 -2.137) 4.336 8.850 ( -3.021 -3.880 -1.138) 5.047 9.154 ( -3.262 -14.076 -4.678) 15.187 9.481 ( 1.679 7.633 6.776) 10.343 9.862 ( -2.030 2.651 7.696) 8.390 9.953 ( 0.428 -10.840 4.430) 11.718 10.126 ( 1.223 -5.957 2.777) 6.685 10.413 ( -1.127 -0.358 -1.221) 1.700 10.434 ( 1.158 -4.248 -5.429) 6.990 10.701 ( -8.690 -1.912 -4.372) 9.914 10.817 ( -5.182 -4.563 -6.481) 9.470 11.277 ( 2.159 9.357 -1.723) 9.757 11.320 ( -0.856 9.346 -5.798) 11.032 11.425 ( 1.558 3.228 2.026) 4.117 11.500 ( 2.503 2.444 0.983) 3.634 12.000 ( 3.340 8.406 4.482) 10.094 12.293 ( 2.047 0.161 1.412) 2.492 12.422 ( -5.814 1.692 1.630) 6.271 12.720 ( 3.648 -6.109 -6.503) 9.639 19.661 ( 3.437 1.163 -0.916) 3.742 19.739 ( 3.056 -1.721 0.799) 3.597 20.245 ( -2.984 1.847 -9.001) 9.661 20.358 ( -2.715 -2.195 -7.969) 8.701 21.671 ( 0.065 1.378 5.477) 5.648 21.758 ( 1.521 -2.042 5.876) 6.404 21.851 ( 7.183 3.244 4.091) 8.881 21.981 ( 8.126 -0.117 0.908) 8.177 22.111 ( -3.161 -0.023 -0.342) 3.179 22.130 ( -1.755 -0.476 -0.025) 1.819 22.848 ( -3.281 4.482 1.358) 5.718 23.062 ( -5.839 -2.092 -3.873) 7.312 23.524 ( 9.783 7.164 1.932) 12.278 23.972 ( 10.556 -8.410 -6.386) 14.931 25.331 ( -12.433 -7.587 5.058) 15.418 25.548 ( -9.453 -10.956 -6.161) 15.727 26.028 ( 1.554 5.780 10.378) 11.980 26.401 ( 1.622 -8.564 10.975) 14.015 26.513 ( -6.387 13.511 15.302) 21.389 27.002 ( 0.314 5.126 -0.906) 5.215 27.124 ( -2.698 -4.510 15.376) 16.250 27.409 ( -2.062 12.628 3.796) 13.346 27.559 ( 0.397 -8.332 -2.054) 8.590 27.863 ( 2.435 1.034 -3.443) 4.342 28.010 ( 10.575 1.175 -5.107) 11.802 28.123 ( 2.624 -8.326 5.836) 10.501 29.555 ( 2.650 4.884 0.176) 5.560 29.794 ( -4.803 -3.526 -15.719) 16.811 29.864 ( -11.844 5.019 -15.033) 19.785 30.281 ( -0.188 -10.282 -0.855) 10.319 30.680 ( -10.069 1.304 -3.403) 10.708 30.706 ( 0.523 5.890 -2.125) 6.284 30.831 ( -3.550 0.704 -4.338) 5.649 31.156 ( 6.609 -6.341 -6.659) 11.324 31.520 ( -7.799 3.966 -0.739) 8.780 31.676 ( 0.797 -1.596 -5.365) 5.654 32.449 ( -1.121 0.779 9.750) 9.845 32.573 ( -2.213 -3.290 5.977) 7.173 32.926 ( -3.323 0.598 -1.691) 3.776 32.949 ( -2.970 -0.071 -2.990) 4.215 34.697 ( 9.668 -1.109 5.517) 11.186 34.721 ( 8.029 -1.233 4.646) 9.358 35.098 ( 9.692 1.212 0.193) 9.769 35.227 ( 14.383 1.557 0.221) 14.469 35.335 ( 18.169 0.436 2.801) 18.389 35.556 ( 1.922 -3.977 1.218) 4.582 35.734 ( 9.091 4.437 -6.083) 11.804 35.919 ( 8.495 -2.360 -6.307) 10.840 37.485 ( -9.334 0.334 7.415) 11.926 37.522 ( -9.542 -0.834 5.956) 11.280 37.854 ( -8.104 2.195 0.064) 8.396 37.918 ( -9.569 0.635 -0.168) 9.592 46.886 ( 1.257 2.006 10.374) 10.641 46.941 ( 0.446 0.670 7.156) 7.201 47.065 ( -1.039 -2.217 10.551) 10.832 47.109 ( -1.078 -3.236 8.840) 9.475 48.004 ( 0.584 4.335 -5.059) 6.687 48.014 ( 0.858 1.341 -8.597) 8.743 48.070 ( -0.115 -0.858 -8.283) 8.328 48.186 ( -1.106 -1.802 -5.377) 5.778 49.732 ( 0.815 1.518 0.726) 1.869 49.801 ( 0.507 0.802 -0.650) 1.150 49.915 ( -0.767 -0.202 2.598) 2.716 50.069 ( -0.557 -3.685 -1.027) 3.866 72.966 ( 1.199 0.697 13.867) 13.936 73.048 ( 2.388 -2.420 16.810) 17.150 73.212 ( -1.772 5.461 22.928) 23.636 73.955 ( -11.057 -34.340 29.070) 46.331 75.391 ( -3.241 13.654 -19.001) 23.622 75.660 ( -8.963 12.278 -20.738) 25.713 75.844 ( 3.520 -3.386 -22.592) 23.114 76.432 ( -4.034 -17.160 -14.832) 23.038 76.883 ( -12.553 13.285 8.629) 20.212 77.005 ( -12.382 23.730 1.980) 26.839 77.370 ( -0.007 6.184 -4.399) 7.589 77.483 ( -2.166 -6.974 1.835) 7.530 78.118 ( 6.356 11.705 3.010) 13.656 78.773 ( 1.123 15.228 0.893) 15.296 79.361 ( 10.912 -18.738 -18.258) 28.347 80.007 ( 15.827 -23.277 -23.904) 36.929 85.237 ( -1.853 10.773 -2.074) 11.126 85.400 ( -4.728 9.746 -2.003) 11.016 85.743 ( 4.519 -7.787 -4.889) 10.245 85.862 ( 5.641 -6.420 -6.040) 10.465 86.275 ( 6.005 4.723 1.465) 7.779 86.305 ( 8.942 5.663 1.977) 10.768 87.671 ( -8.341 0.802 19.304) 21.044 87.951 ( -13.939 -10.809 15.189) 23.278 102.725 ( 1.317 0.682 0.840) 1.705 102.763 ( 1.363 -0.692 2.061) 2.566 102.930 ( -1.038 4.733 -2.981) 5.689 102.992 ( -1.074 0.772 0.045) 1.323 103.012 ( -0.386 1.838 -0.669) 1.994 103.030 ( 0.120 1.346 -0.336) 1.392 103.134 ( -0.377 0.294 -1.533) 1.606 103.331 ( 1.845 -3.653 -9.665) 10.496 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.29 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 12.278 -1.408 16.313) 20.466 1.411 ( 15.484 6.890 10.324) 19.845 1.565 ( 5.016 -14.759 4.096) 16.117 1.931 ( 3.454 -9.775 4.515) 11.308 2.145 ( -6.554 -0.318 0.643) 6.593 2.161 ( -5.748 -0.823 2.207) 6.211 2.273 ( -0.251 7.312 8.264) 11.037 2.332 ( 0.787 8.950 3.029) 9.482 2.472 ( -8.314 1.604 6.953) 10.956 2.508 ( -6.255 -0.823 7.109) 9.505 2.572 ( -11.910 2.108 5.662) 13.355 2.652 ( -8.489 -2.448 1.049) 8.897 3.452 ( 6.407 4.363 -3.320) 8.432 3.555 ( 2.088 1.251 -0.103) 2.436 3.614 ( 2.999 2.498 -3.900) 5.518 3.735 ( 1.263 4.391 -5.067) 6.823 3.853 ( -4.194 -0.697 -3.891) 5.763 3.984 ( -4.769 -2.441 -7.515) 9.229 4.102 ( 4.238 -6.172 -2.201) 7.804 4.124 ( -5.993 6.549 -7.843) 11.846 4.236 ( -3.763 -3.569 -3.087) 6.036 4.310 ( -2.780 4.185 -4.838) 6.975 4.421 ( 6.593 -0.969 0.973) 6.735 4.492 ( 2.855 7.212 1.301) 7.865 4.742 ( -3.679 0.184 -1.703) 4.058 4.809 ( -1.175 -4.776 -2.598) 5.563 4.864 ( 1.160 -3.941 -2.293) 4.705 4.988 ( 0.245 1.102 1.877) 2.191 5.053 ( -2.925 -4.791 -4.838) 7.410 5.118 ( 6.187 -1.403 2.490) 6.815 5.170 ( 4.719 1.987 2.187) 5.568 5.264 ( 1.008 1.720 -0.880) 2.179 5.374 ( 1.715 -5.009 2.531) 5.868 5.492 ( -3.007 -2.283 3.308) 5.019 5.650 ( 0.534 -1.916 -0.444) 2.038 5.717 ( -1.648 -3.871 0.068) 4.208 5.752 ( 2.619 3.396 -1.855) 4.673 5.909 ( 3.502 -5.296 -0.274) 6.355 6.012 ( -1.412 -1.761 -3.189) 3.907 6.210 ( 1.756 3.140 -0.569) 3.643 6.334 ( -4.676 -0.099 1.786) 5.006 6.438 ( -0.072 4.648 -1.675) 4.941 6.587 ( -5.276 5.795 3.439) 8.558 6.795 ( -7.398 -1.278 -1.608) 7.678 7.175 ( 3.567 3.782 3.296) 6.156 7.467 ( 1.425 -5.819 0.070) 5.991 7.492 ( -1.067 2.487 1.238) 2.976 7.619 ( 0.351 -0.148 0.553) 0.672 7.688 ( -1.774 0.198 2.816) 3.334 7.754 ( -0.812 1.774 4.388) 4.802 7.772 ( 1.241 -1.772 2.473) 3.286 7.903 ( -0.956 0.203 -1.573) 1.852 8.287 ( 7.177 8.915 8.174) 14.064 8.690 ( -3.573 3.505 0.810) 5.070 8.812 ( 0.920 -3.071 -3.409) 4.680 9.070 ( -5.223 -11.000 -5.770) 13.475 9.533 ( 3.736 6.598 7.598) 10.734 9.805 ( -3.791 4.245 7.949) 9.776 9.972 ( 1.746 -10.803 4.918) 11.998 10.146 ( 0.250 -5.397 4.345) 6.933 10.374 ( -2.959 0.994 -0.971) 3.269 10.429 ( -2.521 1.547 -4.459) 5.351 10.571 ( -2.142 -12.595 0.598) 12.789 10.711 ( -5.086 -9.587 -4.301) 11.673 11.320 ( 1.863 10.932 -5.188) 12.244 11.330 ( 1.642 9.135 -2.201) 9.539 11.475 ( 3.113 2.803 -0.106) 4.191 11.541 ( 1.614 1.225 0.595) 2.112 12.076 ( 4.103 8.909 3.294) 10.347 12.283 ( -3.108 6.485 4.181) 8.318 12.413 ( 4.276 -3.144 -1.775) 5.596 12.724 ( -2.729 -6.621 -6.445) 9.635 19.755 ( 6.109 1.314 -1.912) 6.534 19.830 ( 6.299 -1.357 -0.610) 6.473 20.161 ( -5.665 1.853 -7.295) 9.420 20.273 ( -6.095 -2.115 -6.226) 8.966 21.701 ( 3.057 1.667 2.699) 4.405 21.811 ( 3.760 -2.677 4.869) 6.709 22.015 ( -5.063 1.131 -1.113) 5.306 22.035 ( 11.127 3.800 3.459) 12.256 22.076 ( -3.343 -1.032 -0.190) 3.504 22.193 ( 11.970 -1.334 2.938) 12.398 22.745 ( -7.630 3.526 2.790) 8.856 22.906 ( -10.127 -1.594 -2.512) 10.555 23.795 ( 17.926 6.307 1.554) 19.067 24.233 ( 15.795 -8.984 -6.427) 19.274 25.033 ( -18.178 -1.669 3.801) 18.646 25.280 ( -17.315 -8.830 -5.379) 20.167 26.079 ( 3.572 6.118 10.476) 12.647 26.379 ( -6.138 10.651 14.655) 19.128 26.465 ( 3.962 -7.820 10.455) 13.645 26.936 ( -8.762 -9.116 12.531) 17.802 27.084 ( 1.538 8.700 -1.447) 8.953 27.336 ( -4.840 11.353 0.800) 12.367 27.573 ( 1.100 -7.655 -1.460) 7.870 27.813 ( -6.201 -5.662 -0.671) 8.424 28.297 ( 18.235 0.058 -4.382) 18.754 28.343 ( 18.391 -1.148 -0.632) 18.438 29.479 ( -16.165 2.562 -13.862) 21.448 29.598 ( -16.579 -1.342 -12.789) 20.981 29.718 ( 3.768 9.580 2.149) 10.516 30.285 ( 1.092 -11.486 -1.503) 11.636 30.417 ( -15.148 0.805 1.080) 15.208 30.625 ( -6.895 -6.435 -6.920) 11.698 30.878 ( 6.108 10.464 -2.953) 12.471 31.300 ( 4.726 -2.806 -6.053) 8.176 31.362 ( -5.311 3.810 -0.580) 6.562 31.672 ( -1.618 -4.169 -6.604) 7.975 32.448 ( 1.871 1.134 7.289) 7.611 32.560 ( 1.514 -2.477 5.081) 5.852 32.839 ( -5.986 -0.024 -1.620) 6.201 32.859 ( -5.901 -0.075 -1.969) 6.221 34.884 ( 9.520 0.364 2.718) 9.907 34.968 ( 14.112 -2.535 4.637) 15.068 35.149 ( -0.236 3.714 -0.162) 3.725 35.417 ( -0.873 -5.883 -2.241) 6.356 35.768 ( 27.441 1.863 4.151) 27.815 35.845 ( 24.563 -0.005 1.472) 24.607 36.040 ( 23.357 2.969 -4.362) 23.945 36.182 ( 19.142 -1.877 -4.453) 19.742 37.226 ( -17.192 0.424 6.996) 18.565 37.258 ( -17.431 -0.583 5.571) 18.309 37.606 ( -17.630 1.186 -0.814) 17.689 37.645 ( -18.603 0.345 -0.153) 18.607 46.921 ( 2.280 1.294 10.203) 10.534 46.955 ( 1.014 0.504 7.688) 7.771 47.040 ( -1.511 -1.362 10.050) 10.253 47.077 ( -2.164 -2.227 9.107) 9.621 48.019 ( 0.874 3.241 -5.357) 6.322 48.037 ( 1.499 0.660 -8.027) 8.193 48.065 ( -0.337 -0.345 -7.760) 7.775 48.157 ( -1.852 -1.428 -5.719) 6.178 49.753 ( 1.274 1.920 0.930) 2.485 49.816 ( 0.630 2.020 -0.317) 2.140 49.906 ( 0.206 -1.202 1.842) 2.209 50.044 ( -2.081 -3.747 -1.324) 4.486 72.999 ( 2.205 1.218 15.144) 15.352 73.117 ( 4.725 -3.182 19.405) 20.224 73.167 ( -2.693 4.255 21.374) 21.960 73.686 ( -15.061 -20.940 32.456) 41.457 75.328 ( -2.101 19.601 -20.793) 28.652 75.501 ( -6.568 18.738 -18.781) 27.331 75.948 ( 6.850 -7.310 -23.065) 25.147 76.341 ( -4.999 -15.499 -13.662) 21.257 76.702 ( -4.421 14.393 7.450) 16.799 76.853 ( -6.560 13.039 7.423) 16.375 77.369 ( 0.003 -7.203 -0.010) 7.203 77.441 ( -2.080 -3.944 -0.091) 4.459 78.262 ( 8.034 16.444 1.510) 18.363 78.694 ( -6.702 19.534 0.145) 20.652 79.609 ( 13.550 -25.991 -15.215) 33.025 80.186 ( 1.368 -36.700 -29.220) 46.931 85.204 ( -1.323 15.492 -1.622) 15.633 85.304 ( -4.796 15.124 -0.913) 15.892 85.843 ( 5.277 -10.342 -6.977) 13.545 85.947 ( 2.826 -10.199 -8.972) 13.875 86.428 ( 9.216 8.575 2.627) 12.859 86.520 ( 11.766 8.181 2.247) 14.506 87.455 ( -12.222 -1.711 18.316) 22.086 87.670 ( -13.961 -8.018 16.311) 22.918 102.760 ( 2.312 0.737 0.674) 2.518 102.801 ( 2.426 -0.691 1.836) 3.119 102.903 ( -1.762 2.556 -1.264) 3.352 102.960 ( -2.229 -0.584 0.711) 2.412 103.007 ( 0.060 4.718 -1.288) 4.891 103.030 ( -0.112 2.278 -0.664) 2.376 103.154 ( 2.274 -1.812 -1.960) 3.506 103.334 ( -1.580 -5.055 -8.897) 10.354 ======================= Grid point 80 (32/60) ======================= q-point: ( 0.43 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 17.852 -5.130 10.811) 21.492 1.665 ( 11.868 -9.256 5.558) 16.045 1.761 ( 2.675 -3.119 6.303) 7.524 1.821 ( -5.337 -4.553 4.707) 8.448 1.960 ( -8.842 -2.393 4.329) 10.132 2.113 ( -8.498 4.009 3.143) 9.908 2.214 ( 1.956 -3.803 6.964) 8.172 2.299 ( -5.117 7.340 -2.089) 9.189 2.335 ( -1.930 4.911 3.858) 6.536 2.383 ( -6.097 0.039 7.497) 9.663 2.491 ( 1.434 3.985 8.084) 9.126 2.539 ( -3.696 0.276 3.343) 4.991 3.519 ( 2.392 1.002 -5.465) 6.049 3.559 ( -1.267 1.080 -3.903) 4.244 3.699 ( 3.329 -2.428 -5.161) 6.605 3.768 ( -4.023 -6.568 -7.939) 11.061 3.851 ( 8.498 6.290 -5.114) 11.745 3.921 ( -1.440 4.586 -6.012) 7.697 4.038 ( -1.075 10.483 -5.499) 11.887 4.134 ( -4.733 0.433 -2.764) 5.497 4.176 ( 0.021 0.669 -3.638) 3.699 4.219 ( -4.447 3.329 -3.196) 6.409 4.551 ( 5.783 5.731 1.846) 8.349 4.582 ( 5.814 -3.242 0.951) 6.724 4.659 ( -4.174 2.542 0.558) 4.919 4.715 ( -5.911 -4.487 0.647) 7.449 4.918 ( 1.909 -7.020 -1.613) 7.452 4.967 ( -3.749 -5.764 -1.545) 7.047 5.065 ( 6.779 1.113 -0.429) 6.883 5.189 ( -4.305 1.919 -2.238) 5.218 5.265 ( 5.995 -2.930 1.951) 6.952 5.292 ( 4.012 0.792 4.275) 5.916 5.413 ( 0.987 -0.874 5.705) 5.855 5.425 ( -2.987 -2.287 -1.237) 3.960 5.590 ( -3.572 -3.170 3.149) 5.720 5.635 ( -5.472 -6.578 2.567) 8.933 5.834 ( 5.476 4.036 -0.117) 6.804 5.940 ( -4.902 1.865 -2.663) 5.882 6.050 ( 8.537 -5.395 -4.094) 10.897 6.192 ( -5.161 -5.760 -2.607) 8.162 6.331 ( 4.913 5.942 2.254) 8.033 6.433 ( -3.798 5.626 1.668) 6.990 6.528 ( 2.424 1.895 1.368) 3.367 6.643 ( -7.789 0.581 0.177) 7.813 7.277 ( 6.456 2.405 1.963) 7.164 7.402 ( -5.951 1.741 0.809) 6.253 7.515 ( 2.488 -5.904 0.136) 6.408 7.577 ( -3.594 -3.414 -0.005) 4.957 7.698 ( 1.882 2.014 2.462) 3.696 7.730 ( -1.396 2.616 2.407) 3.819 7.824 ( 3.091 0.206 0.194) 3.104 7.875 ( -2.069 0.315 -1.235) 2.430 8.432 ( 7.662 8.915 6.331) 13.352 8.577 ( -7.145 8.235 4.014) 11.618 8.871 ( 4.300 -4.720 -5.680) 8.546 8.965 ( -5.365 -7.392 -6.236) 11.060 9.620 ( 5.114 5.795 8.165) 11.242 9.720 ( -4.976 5.266 8.235) 10.968 10.024 ( 3.726 -9.818 5.571) 11.887 10.107 ( -4.156 -7.639 5.826) 10.467 10.341 ( 0.444 1.914 -1.316) 2.365 10.375 ( -2.558 1.876 -1.628) 3.565 10.585 ( 2.017 -15.277 -1.181) 15.455 10.633 ( -3.100 -13.669 -2.407) 14.221 11.349 ( 1.093 10.750 -4.589) 11.740 11.355 ( 0.585 10.270 -2.953) 10.702 11.530 ( 2.329 2.135 -1.058) 3.332 11.556 ( -0.227 1.308 -0.672) 1.488 12.151 ( 3.687 8.367 3.061) 9.642 12.219 ( -3.396 7.620 3.561) 9.070 12.520 ( 6.180 -4.440 -3.124) 8.226 12.637 ( -5.719 -5.643 -4.694) 9.305 19.888 ( 7.505 1.516 -3.390) 8.373 19.972 ( 8.184 -1.447 -2.356) 8.638 20.034 ( -7.337 1.721 -5.251) 9.185 20.133 ( -8.138 -1.767 -4.227) 9.339 21.784 ( 5.390 1.750 0.423) 5.683 21.894 ( 1.892 -1.338 1.582) 2.806 21.901 ( -3.329 0.448 0.445) 3.389 21.991 ( -4.842 -1.820 1.345) 5.345 22.290 ( 14.043 3.592 3.720) 14.965 22.440 ( 13.125 -1.438 1.927) 13.343 22.551 ( -12.302 3.132 3.569) 13.186 22.687 ( -12.292 -1.297 -0.443) 12.368 24.192 ( 22.703 4.545 1.309) 23.191 24.563 ( 18.209 -8.424 -5.232) 20.734 24.637 ( -22.628 1.948 1.849) 22.786 24.923 ( -19.015 -7.877 -4.617) 21.094 26.160 ( 4.811 6.974 11.181) 14.028 26.262 ( -5.751 8.600 12.613) 16.313 26.574 ( 7.299 -8.429 11.814) 16.245 26.743 ( -9.978 -9.277 13.382) 19.097 27.148 ( 4.368 9.540 -3.381) 11.024 27.240 ( -5.023 10.036 -2.113) 11.420 27.609 ( 2.915 -7.259 -0.453) 7.836 27.691 ( -5.633 -6.965 0.196) 8.961 28.686 ( 21.376 1.374 -8.458) 23.029 28.746 ( 22.717 -0.094 -3.867) 23.044 29.100 ( -21.125 3.157 -12.107) 24.552 29.199 ( -23.286 -0.409 -7.181) 24.372 29.869 ( 10.460 7.004 2.492) 12.833 30.108 ( -14.179 4.524 1.568) 14.965 30.367 ( 5.134 -12.287 -3.391) 13.742 30.487 ( -7.053 -10.373 -5.921) 13.871 31.013 ( 7.636 11.472 -1.464) 13.858 31.170 ( -8.643 10.667 -0.755) 13.750 31.477 ( 7.648 -6.983 -5.989) 11.963 31.605 ( -5.296 -6.212 -6.434) 10.394 32.536 ( 7.012 1.341 3.405) 7.910 32.629 ( 5.193 -1.674 3.015) 6.233 32.693 ( -8.558 0.650 -0.273) 8.587 32.742 ( -6.174 -0.776 0.711) 6.263 35.036 ( 6.034 1.955 0.649) 6.376 35.119 ( -2.689 3.030 -0.247) 4.058 35.202 ( 9.590 -3.871 1.865) 10.509 35.346 ( -5.603 -4.975 -0.445) 7.506 36.295 ( 26.062 1.106 3.731) 26.351 36.322 ( 24.485 0.461 1.435) 24.532 36.539 ( 20.266 1.349 -3.400) 20.594 36.596 ( 14.308 -0.597 -2.045) 14.465 36.881 ( -10.311 0.377 5.854) 11.863 36.901 ( -13.639 -0.210 5.277) 14.626 37.188 ( -24.967 0.867 -0.692) 24.991 37.219 ( -24.902 -0.078 0.054) 24.903 46.971 ( 2.680 0.219 9.850) 10.210 46.979 ( 1.500 0.114 8.431) 8.564 47.009 ( -1.553 -0.542 9.307) 9.451 47.029 ( -2.770 -0.962 9.483) 9.926 48.036 ( 0.888 1.855 -6.010) 6.352 48.051 ( -0.575 0.531 -6.876) 6.920 48.076 ( 1.923 -0.033 -7.232) 7.483 48.117 ( -2.175 -0.809 -6.381) 6.790 49.781 ( 1.614 2.486 1.009) 3.131 49.810 ( -1.171 2.899 0.691) 3.202 49.935 ( 2.632 -2.742 0.054) 3.802 49.993 ( -3.055 -3.347 -0.950) 4.631 73.049 ( 2.880 2.042 17.051) 17.412 73.107 ( -3.114 3.107 19.272) 19.768 73.239 ( 7.777 -5.403 23.587) 25.417 73.425 ( -11.662 -10.369 28.845) 32.795 75.331 ( 2.194 19.733 -20.461) 28.511 75.397 ( -4.444 18.510 -19.380) 27.165 76.093 ( 7.815 -11.373 -20.961) 25.096 76.234 ( -6.480 -14.948 -17.213) 23.700 76.679 ( 1.366 12.489 8.437) 15.133 76.741 ( -4.816 12.350 8.431) 15.710 77.377 ( 0.905 -10.225 0.593) 10.282 77.403 ( -1.748 -6.737 -0.032) 6.960 78.414 ( 7.629 19.361 0.078) 20.811 78.557 ( -7.299 19.997 -0.491) 21.293 79.868 ( 13.077 -31.000 -16.596) 37.516 80.093 ( -9.506 -36.605 -22.578) 44.046 85.194 ( 0.504 18.218 -0.667) 18.237 85.227 ( -2.946 18.103 -0.332) 18.344 85.930 ( 3.455 -12.127 -8.495) 15.204 85.969 ( -0.505 -12.172 -9.181) 15.255 86.601 ( 7.936 13.471 4.345) 16.227 86.676 ( 2.207 14.426 4.032) 15.141 87.305 ( -0.847 -8.512 15.201) 17.443 87.425 ( -11.071 -9.489 13.873) 20.127 102.810 ( 2.743 0.872 0.352) 2.900 102.853 ( 2.942 -0.706 1.492) 3.373 102.862 ( -2.518 1.283 -0.213) 2.834 102.910 ( -2.865 -0.709 1.112) 3.154 103.015 ( 0.564 4.492 -1.251) 4.697 103.025 ( -0.442 3.329 -0.981) 3.498 103.212 ( 3.516 -3.309 -3.826) 6.161 103.282 ( -3.472 -4.580 -6.313) 8.538 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.000 -13.622 10.534) 17.220 1.175 ( 0.000 13.622 10.534) 17.220 1.445 ( 0.000 -12.217 9.036) 15.195 1.445 ( 0.000 12.217 9.036) 15.195 2.289 ( 0.000 -3.206 0.571) 3.257 2.289 ( 0.000 3.206 0.571) 3.257 2.350 ( 0.000 -9.959 9.433) 13.717 2.350 ( 0.000 9.959 9.433) 13.717 2.634 ( 0.000 -1.513 6.490) 6.664 2.634 ( 0.000 1.513 6.490) 6.664 2.959 ( 0.000 -1.625 -0.814) 1.818 2.959 ( 0.000 1.625 -0.814) 1.818 3.495 ( 0.000 -12.749 3.519) 13.226 3.495 ( 0.000 12.749 3.519) 13.226 3.606 ( 0.000 -5.776 4.681) 7.435 3.606 ( 0.000 5.776 4.681) 7.435 3.853 ( 0.000 -9.409 -4.735) 10.533 3.853 ( 0.000 9.409 -4.735) 10.533 4.231 ( 0.000 -5.077 -5.584) 7.547 4.231 ( 0.000 5.077 -5.584) 7.547 4.307 ( 0.000 -6.286 0.008) 6.286 4.307 ( 0.000 6.286 0.008) 6.286 4.424 ( 0.000 -8.309 -13.995) 16.276 4.424 ( 0.000 8.309 -13.995) 16.276 4.727 ( 0.000 -2.527 -2.030) 3.241 4.727 ( 0.000 2.527 -2.030) 3.241 4.870 ( 0.000 -2.920 0.523) 2.967 4.870 ( 0.000 2.920 0.523) 2.967 5.025 ( 0.000 -3.668 -2.781) 4.603 5.025 ( 0.000 3.668 -2.781) 4.603 5.221 ( 0.000 -3.340 4.063) 5.259 5.221 ( 0.000 3.340 4.063) 5.259 5.419 ( 0.000 -9.987 -0.936) 10.031 5.419 ( 0.000 9.987 -0.936) 10.031 5.637 ( 0.000 -3.656 -3.648) 5.165 5.637 ( 0.000 3.656 -3.648) 5.165 5.702 ( 0.000 -3.115 0.080) 3.116 5.702 ( 0.000 3.115 0.080) 3.116 6.103 ( 0.000 -4.988 -1.558) 5.226 6.103 ( 0.000 4.988 -1.558) 5.226 6.615 ( 0.000 -1.578 1.286) 2.036 6.615 ( 0.000 1.578 1.286) 2.036 6.820 ( 0.000 -5.160 -4.367) 6.760 6.820 ( 0.000 5.160 -4.367) 6.760 7.287 ( 0.000 -0.495 6.089) 6.109 7.287 ( 0.000 0.495 6.089) 6.109 7.526 ( 0.000 -1.997 6.331) 6.639 7.526 ( 0.000 1.997 6.331) 6.639 7.730 ( 0.000 -3.619 4.233) 5.569 7.730 ( 0.000 3.619 4.233) 5.569 7.879 ( 0.000 -3.332 2.549) 4.196 7.879 ( 0.000 3.332 2.549) 4.196 8.477 ( 0.000 -15.811 -2.347) 15.984 8.477 ( 0.000 15.811 -2.347) 15.984 8.854 ( 0.000 -7.248 -2.126) 7.553 8.854 ( 0.000 7.248 -2.126) 7.553 9.683 ( 0.000 -11.209 4.890) 12.229 9.683 ( 0.000 11.209 4.890) 12.229 9.973 ( 0.000 -5.773 6.886) 8.986 9.973 ( 0.000 5.773 6.886) 8.986 10.392 ( 0.000 -1.567 -3.272) 3.628 10.392 ( 0.000 1.567 -3.272) 3.628 10.828 ( 0.000 -2.018 -9.725) 9.932 10.828 ( 0.000 2.018 -9.725) 9.932 11.405 ( 0.000 -5.172 1.232) 5.317 11.405 ( 0.000 5.172 1.232) 5.317 11.467 ( 0.000 -1.731 -1.406) 2.231 11.467 ( 0.000 1.731 -1.406) 2.231 12.178 ( 0.000 -8.036 -0.061) 8.036 12.178 ( 0.000 8.036 -0.061) 8.036 12.554 ( 0.000 -1.605 0.096) 1.608 12.554 ( 0.000 1.605 0.096) 1.608 19.663 ( 0.000 -1.947 0.290) 1.968 19.663 ( 0.000 1.947 0.290) 1.968 20.327 ( 0.000 -2.661 -9.183) 9.560 20.327 ( 0.000 2.661 -9.183) 9.560 21.715 ( 0.000 -1.833 7.792) 8.005 21.715 ( 0.000 1.833 7.792) 8.005 21.846 ( 0.000 -3.569 1.453) 3.853 21.846 ( 0.000 3.569 1.453) 3.853 22.144 ( 0.000 -0.120 -0.114) 0.166 22.144 ( 0.000 0.120 -0.114) 0.166 23.017 ( 0.000 -6.445 -1.054) 6.531 23.017 ( 0.000 6.445 -1.054) 6.531 23.644 ( 0.000 -10.836 -2.253) 11.068 23.644 ( 0.000 10.836 -2.253) 11.068 25.407 ( 0.000 -6.128 -1.377) 6.281 25.407 ( 0.000 6.128 -1.377) 6.281 26.178 ( 0.000 -8.597 10.568) 13.623 26.178 ( 0.000 8.597 10.568) 13.623 26.880 ( 0.000 -10.990 17.797) 20.917 26.880 ( 0.000 10.990 17.797) 20.917 27.290 ( 0.000 -12.257 -0.507) 12.268 27.290 ( 0.000 12.257 -0.507) 12.268 27.803 ( 0.000 -16.259 4.659) 16.914 27.803 ( 0.000 16.259 4.659) 16.914 27.896 ( 0.000 -3.487 -3.914) 5.242 27.896 ( 0.000 3.487 -3.914) 5.242 29.669 ( 0.000 -7.107 -5.888) 9.229 29.669 ( 0.000 7.107 -5.888) 9.229 30.117 ( 0.000 -7.176 -9.749) 12.105 30.117 ( 0.000 7.176 -9.749) 12.105 30.820 ( 0.000 -3.561 -1.666) 3.931 30.820 ( 0.000 3.561 -1.666) 3.931 30.917 ( 0.000 -8.842 -6.054) 10.716 30.917 ( 0.000 8.842 -6.054) 10.716 31.648 ( 0.000 -0.673 -3.886) 3.944 31.648 ( 0.000 0.673 -3.886) 3.944 32.511 ( 0.000 -3.552 8.967) 9.645 32.511 ( 0.000 3.552 8.967) 9.645 32.975 ( 0.000 -0.053 -2.142) 2.142 32.975 ( 0.000 0.053 -2.142) 2.142 34.611 ( 0.000 -1.580 4.894) 5.143 34.611 ( 0.000 1.580 4.894) 5.143 34.969 ( 0.000 -3.718 0.403) 3.740 34.969 ( 0.000 3.718 0.403) 3.740 35.391 ( 0.000 -8.264 2.541) 8.646 35.391 ( 0.000 8.264 2.541) 8.646 35.760 ( 0.000 -4.566 -6.685) 8.096 35.760 ( 0.000 4.566 -6.685) 8.096 37.591 ( 0.000 -0.997 6.723) 6.797 37.591 ( 0.000 0.997 6.723) 6.797 37.995 ( 0.000 -2.184 -0.006) 2.184 37.995 ( 0.000 2.184 -0.006) 2.184 46.931 ( 0.000 -1.996 9.165) 9.379 46.931 ( 0.000 1.996 9.165) 9.379 47.049 ( 0.000 -1.485 9.058) 9.179 47.049 ( 0.000 1.485 9.058) 9.179 48.041 ( 0.000 -1.578 -8.894) 9.033 48.041 ( 0.000 1.578 -8.894) 9.033 48.118 ( 0.000 -4.881 -4.479) 6.625 48.118 ( 0.000 4.881 -4.479) 6.625 49.768 ( 0.000 -2.255 0.471) 2.304 49.768 ( 0.000 2.255 0.471) 2.304 49.979 ( 0.000 -4.300 0.657) 4.350 49.979 ( 0.000 4.300 0.657) 4.350 72.978 ( 0.000 -1.669 14.368) 14.465 72.978 ( 0.000 1.669 14.368) 14.465 73.466 ( 0.000 -16.458 27.686) 32.209 73.466 ( 0.000 16.458 27.686) 32.209 75.659 ( 0.000 -6.734 -23.988) 24.915 75.659 ( 0.000 6.734 -23.988) 24.915 76.040 ( 0.000 -17.090 -17.396) 24.386 76.040 ( 0.000 17.090 -17.396) 24.386 77.180 ( 0.000 -10.933 9.673) 14.598 77.180 ( 0.000 10.933 9.673) 14.598 77.570 ( 0.000 -7.070 -6.569) 9.650 77.570 ( 0.000 7.070 -6.569) 9.650 78.494 ( 0.000 -18.441 -11.354) 21.656 78.494 ( 0.000 18.441 -11.354) 21.656 79.452 ( 0.000 -14.898 -10.290) 18.106 79.452 ( 0.000 14.898 -10.290) 18.106 85.449 ( 0.000 -7.080 -3.007) 7.692 85.449 ( 0.000 7.080 -3.007) 7.692 85.681 ( 0.000 -4.765 -6.934) 8.413 85.681 ( 0.000 4.765 -6.934) 8.413 86.271 ( 0.000 -0.470 4.313) 4.339 86.271 ( 0.000 0.470 4.313) 4.339 87.844 ( 0.000 -7.663 19.185) 20.659 87.844 ( 0.000 7.663 19.185) 20.659 102.731 ( 0.000 -0.942 1.498) 1.769 102.731 ( 0.000 0.942 1.498) 1.769 102.997 ( 0.000 -1.162 -0.150) 1.172 102.997 ( 0.000 1.162 -0.150) 1.172 103.039 ( 0.000 -0.054 -0.847) 0.848 103.039 ( 0.000 0.054 -0.847) 0.848 103.229 ( 0.000 -4.102 -8.292) 9.251 103.229 ( 0.000 4.102 -8.292) 9.251 ======================= Grid point 86 (34/60) ======================= q-point: ( 0.14 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.987 -13.280 11.704) 17.729 1.187 ( 0.987 13.280 11.704) 17.729 1.488 ( 5.751 -15.927 8.911) 19.136 1.488 ( 5.751 15.927 8.911) 19.136 2.259 ( -3.412 -1.070 -0.654) 3.635 2.259 ( -3.412 1.070 -0.654) 3.635 2.394 ( 3.144 -7.094 7.664) 10.906 2.394 ( 3.144 7.094 7.664) 10.906 2.595 ( -3.947 -0.957 6.718) 7.850 2.595 ( -3.947 0.957 6.718) 7.850 2.819 ( -11.576 -1.732 2.261) 11.921 2.819 ( -11.576 1.732 2.261) 11.921 3.510 ( 0.697 -4.950 1.660) 5.268 3.510 ( 0.697 4.950 1.660) 5.268 3.687 ( 6.651 -7.390 0.288) 9.946 3.687 ( 6.651 7.390 0.288) 9.946 3.842 ( -0.901 -8.307 -5.184) 9.833 3.842 ( -0.901 8.307 -5.184) 9.833 4.194 ( -4.325 -7.610 -3.959) 9.607 4.194 ( -4.325 7.610 -3.959) 9.607 4.278 ( -0.591 -1.926 -2.429) 3.156 4.278 ( -0.591 1.926 -2.429) 3.156 4.444 ( 1.743 -8.066 -10.680) 13.497 4.444 ( 1.743 8.066 -10.680) 13.497 4.752 ( 1.415 -5.752 -1.235) 6.051 4.752 ( 1.415 5.752 -1.235) 6.051 4.883 ( 1.521 -2.641 1.906) 3.595 4.883 ( 1.521 2.641 1.906) 3.595 5.033 ( 0.323 -1.815 -2.990) 3.513 5.033 ( 0.323 1.815 -2.990) 3.513 5.223 ( -0.033 -2.745 3.476) 4.430 5.223 ( -0.033 2.745 3.476) 4.430 5.409 ( -0.377 -8.749 -0.438) 8.768 5.409 ( -0.377 8.749 -0.438) 8.768 5.646 ( 0.580 -3.352 -0.603) 3.454 5.646 ( 0.580 3.352 -0.603) 3.454 5.731 ( 2.676 -4.736 -1.667) 5.689 5.731 ( 2.676 4.736 -1.667) 5.689 6.111 ( 0.727 -5.618 -2.199) 6.077 6.111 ( 0.727 5.618 -2.199) 6.077 6.545 ( -5.936 -2.993 2.017) 6.947 6.545 ( -5.936 2.993 2.017) 6.947 6.796 ( -2.795 -5.357 -3.378) 6.923 6.796 ( -2.795 5.357 -3.378) 6.923 7.280 ( -0.295 -5.797 5.591) 8.059 7.280 ( -0.295 5.797 5.591) 8.059 7.572 ( 3.458 -2.890 4.093) 6.088 7.572 ( 3.458 2.890 4.093) 6.088 7.710 ( -1.757 -2.332 3.980) 4.936 7.710 ( -1.757 2.332 3.980) 4.936 7.865 ( -1.072 -3.978 1.546) 4.400 7.865 ( -1.072 3.978 1.546) 4.400 8.515 ( 3.553 -15.693 -1.605) 16.170 8.515 ( 3.553 15.693 -1.605) 16.170 8.848 ( -0.751 -6.555 -2.294) 6.985 8.848 ( -0.751 6.555 -2.294) 6.985 9.692 ( 0.977 -10.949 5.379) 12.238 9.692 ( 0.977 10.949 5.379) 12.238 9.976 ( 0.143 -6.915 7.107) 9.917 9.976 ( 0.143 6.915 7.107) 9.917 10.390 ( -0.192 -1.120 -3.028) 3.234 10.390 ( -0.192 1.120 -3.028) 3.234 10.735 ( -8.765 -2.958 -7.164) 11.700 10.735 ( -8.765 2.958 -7.164) 11.700 11.423 ( 1.810 -4.123 0.344) 4.516 11.423 ( 1.810 4.123 0.344) 4.516 11.472 ( 0.839 -3.771 -1.410) 4.112 11.472 ( 0.839 3.771 -1.410) 4.112 12.211 ( 3.065 -7.587 -0.277) 8.187 12.211 ( 3.065 7.587 -0.277) 8.187 12.547 ( -0.901 -8.269 -0.323) 8.324 12.547 ( -0.901 8.269 -0.323) 8.324 19.696 ( 3.474 -1.860 -0.173) 3.945 19.696 ( 3.474 1.860 -0.173) 3.945 20.299 ( -2.883 -2.765 -8.501) 9.393 20.299 ( -2.883 2.765 -8.501) 9.393 21.711 ( 0.555 -2.053 5.853) 6.227 21.711 ( 0.555 2.053 5.853) 6.227 21.934 ( 8.055 -3.632 2.865) 9.289 21.934 ( 8.055 3.632 2.865) 9.289 22.117 ( -2.672 -0.542 -0.374) 2.752 22.117 ( -2.672 0.542 -0.374) 2.752 22.971 ( -4.697 -5.637 -0.524) 7.356 22.971 ( -4.697 5.637 -0.524) 7.356 23.739 ( 9.546 -11.130 -2.280) 14.840 23.739 ( 9.546 11.130 -2.280) 14.840 25.324 ( -8.496 -6.620 -1.687) 10.902 25.324 ( -8.496 6.620 -1.687) 10.902 26.196 ( 1.967 -8.793 10.280) 13.670 26.196 ( 1.967 8.793 10.280) 13.670 26.820 ( -5.994 -12.958 17.157) 22.321 26.820 ( -5.994 12.958 17.157) 22.321 27.300 ( 0.949 -11.741 -2.076) 11.961 27.300 ( 0.949 11.741 -2.076) 11.961 27.749 ( -5.298 -13.234 2.627) 14.495 27.749 ( -5.298 13.234 2.627) 14.495 28.007 ( 11.372 -1.247 -1.737) 11.571 28.007 ( 11.372 1.247 -1.737) 11.571 29.679 ( -0.391 -5.850 -9.139) 10.858 29.679 ( -0.391 5.850 -9.139) 10.858 30.049 ( -5.968 -10.127 -5.517) 12.985 30.049 ( -5.968 10.127 -5.517) 12.985 30.713 ( -9.871 -1.924 -2.277) 10.311 30.713 ( -9.871 1.924 -2.277) 10.311 30.980 ( 5.699 -8.859 -5.309) 11.796 30.980 ( 5.699 8.859 -5.309) 11.796 31.615 ( -3.128 -3.826 -4.166) 6.464 31.615 ( -3.128 3.826 -4.166) 6.464 32.493 ( -1.324 -3.142 8.312) 8.985 32.493 ( -1.324 3.142 8.312) 8.985 32.940 ( -3.439 -0.637 -2.188) 4.125 32.940 ( -3.439 0.637 -2.188) 4.125 34.693 ( 8.880 -0.777 5.010) 10.226 34.693 ( 8.880 0.777 5.010) 10.226 35.164 ( 13.902 -4.237 -1.559) 14.616 35.164 ( 13.902 4.237 -1.559) 14.616 35.438 ( 8.084 -6.095 3.729) 10.789 35.438 ( 8.084 6.095 3.729) 10.789 35.841 ( 8.740 -4.492 -6.070) 11.550 35.841 ( 8.740 4.492 -6.070) 11.550 37.500 ( -9.344 -0.949 6.599) 11.479 37.500 ( -9.344 0.949 6.599) 11.479 37.905 ( -9.329 -1.802 -0.159) 9.503 37.905 ( -9.329 1.802 -0.159) 9.503 46.937 ( 0.582 -1.745 9.195) 9.377 46.937 ( 0.582 1.745 9.195) 9.377 47.045 ( -0.475 -1.475 9.016) 9.148 47.045 ( -0.475 1.475 9.016) 9.148 48.044 ( 0.332 -1.373 -8.585) 8.700 48.044 ( 0.332 1.373 -8.585) 8.700 48.114 ( -0.487 -4.476 -4.684) 6.497 48.114 ( -0.487 4.476 -4.684) 6.497 49.777 ( 1.027 -2.214 0.464) 2.484 49.777 ( 1.027 2.214 0.464) 2.484 49.971 ( -0.864 -4.392 0.491) 4.503 49.971 ( -0.864 4.392 0.491) 4.503 72.995 ( 1.748 -1.940 14.979) 15.205 72.995 ( 1.748 1.940 14.979) 15.205 73.427 ( -3.840 -14.771 27.240) 31.224 73.427 ( -3.840 14.771 27.240) 31.224 75.671 ( 1.210 -8.560 -23.897) 25.413 75.671 ( 1.210 8.560 -23.897) 25.413 76.010 ( -2.985 -17.404 -17.972) 25.195 76.010 ( -2.985 17.404 -17.972) 25.195 77.125 ( -5.064 -12.391 9.237) 16.264 77.125 ( -5.064 12.391 9.237) 16.264 77.438 ( -10.289 -9.823 -3.071) 14.553 77.438 ( -10.289 9.823 -3.071) 14.553 78.642 ( 12.183 -28.095 -10.763) 32.460 78.642 ( 12.183 28.095 -10.763) 32.460 79.417 ( -3.407 -25.490 -9.024) 27.254 79.417 ( -3.407 25.490 -9.024) 27.254 85.484 ( 3.064 -8.872 -4.269) 10.311 85.484 ( 3.064 8.872 -4.269) 10.311 85.684 ( 0.135 -7.997 -8.070) 11.362 85.684 ( 0.135 7.997 -8.070) 11.362 86.358 ( 8.810 -1.451 4.736) 10.107 86.358 ( 8.810 1.451 4.736) 10.107 87.742 ( -10.000 -6.335 18.642) 22.083 87.742 ( -10.000 6.335 18.642) 22.083 102.744 ( 1.354 -0.953 1.440) 2.195 102.744 ( 1.354 0.953 1.440) 2.195 102.979 ( -1.580 -1.099 0.000) 1.924 102.979 ( -1.580 1.099 0.000) 1.924 103.053 ( 1.192 -0.856 -1.086) 1.826 103.053 ( 1.192 0.856 -1.086) 1.826 103.217 ( -1.186 -6.069 -7.397) 9.642 103.217 ( -1.186 6.069 -7.397) 9.642 ======================= Grid point 88 (35/60) ======================= q-point: ( 0.29 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 6.602 -9.752 12.622) 17.263 1.247 ( 6.602 9.752 12.622) 17.263 1.665 ( 11.022 -12.549 7.222) 18.196 1.665 ( 11.022 12.549 7.222) 18.196 2.139 ( -9.184 -0.456 2.468) 9.521 2.139 ( -9.184 0.456 2.468) 9.521 2.397 ( -4.498 -2.582 2.465) 5.743 2.397 ( -4.498 2.582 2.465) 5.743 2.506 ( -3.957 -0.791 7.408) 8.436 2.506 ( -3.957 0.791 7.408) 8.436 2.618 ( -7.596 -0.992 2.196) 7.969 2.618 ( -7.596 0.992 2.196) 7.969 3.529 ( 1.593 -2.559 -1.779) 3.500 3.529 ( 1.593 2.559 -1.779) 3.500 3.727 ( -3.188 -6.328 -6.908) 9.896 3.727 ( -3.188 6.328 -6.908) 9.896 3.891 ( 6.282 -8.462 -2.583) 10.851 3.891 ( 6.282 8.462 -2.583) 10.851 4.113 ( -3.217 -6.307 -4.243) 8.254 4.113 ( -3.217 6.307 -4.243) 8.254 4.288 ( 1.259 -6.277 -2.564) 6.896 4.288 ( 1.259 6.277 -2.564) 6.896 4.494 ( 3.221 -7.389 -5.029) 9.501 4.494 ( 3.221 7.389 -5.029) 9.501 4.750 ( -1.742 -2.955 -1.389) 3.701 4.750 ( -1.742 2.955 -1.389) 3.701 4.891 ( -2.732 -6.272 0.711) 6.878 4.891 ( -2.732 6.272 0.711) 6.878 5.044 ( 2.831 -2.873 1.085) 4.177 5.044 ( 2.831 2.873 1.085) 4.177 5.258 ( 4.370 -3.687 4.122) 7.048 5.258 ( 4.370 3.687 4.122) 7.048 5.385 ( -2.988 -5.840 -1.724) 6.783 5.385 ( -2.988 5.840 -1.724) 6.783 5.630 ( -2.729 -1.460 2.721) 4.121 5.630 ( -2.729 1.460 2.721) 4.121 5.816 ( 6.109 -3.156 -2.403) 7.284 5.816 ( 6.109 3.156 -2.403) 7.284 6.110 ( -1.655 -7.227 -2.594) 7.855 6.110 ( -1.655 7.227 -2.594) 7.855 6.449 ( -2.476 -4.545 2.030) 5.559 6.449 ( -2.476 4.545 2.030) 5.559 6.712 ( -5.710 -5.397 0.078) 7.858 6.712 ( -5.710 5.397 0.078) 7.858 7.293 ( 2.044 -6.886 2.652) 7.657 7.293 ( 2.044 6.886 2.652) 7.657 7.583 ( -3.420 -4.341 1.762) 5.801 7.583 ( -3.420 4.341 1.762) 5.801 7.711 ( 2.748 -2.637 2.795) 4.724 7.711 ( 2.748 2.637 2.795) 4.724 7.849 ( -0.698 -4.536 -0.553) 4.623 7.849 ( -0.698 4.536 -0.553) 4.623 8.598 ( 4.800 -14.550 -0.430) 15.327 8.598 ( 4.800 14.550 -0.430) 15.327 8.821 ( -2.040 -6.086 -2.373) 6.844 8.821 ( -2.040 6.086 -2.373) 6.844 9.725 ( 2.625 -10.215 6.502) 12.390 9.725 ( 2.625 10.215 6.502) 12.390 9.965 ( -1.729 -9.284 7.758) 12.222 9.965 ( -1.729 9.284 7.758) 12.222 10.385 ( -0.229 -1.524 -2.525) 2.958 10.385 ( -0.229 1.524 -2.525) 2.958 10.549 ( -8.937 -4.895 -3.468) 10.763 10.549 ( -8.937 4.895 -3.468) 10.763 11.468 ( 2.563 -2.318 -1.231) 3.668 11.468 ( 2.563 2.318 -1.231) 3.668 11.499 ( 1.621 -3.311 -1.750) 4.081 11.499 ( 1.621 3.311 -1.750) 4.081 12.282 ( 4.092 -7.674 -0.468) 8.710 12.282 ( 4.092 7.674 -0.468) 8.710 12.513 ( -2.626 -11.286 -0.821) 11.617 12.513 ( -2.626 11.286 -0.821) 11.617 19.792 ( 6.307 -1.841 -1.343) 6.706 19.792 ( 6.307 1.841 -1.343) 6.706 20.215 ( -5.805 -2.739 -6.793) 9.346 20.215 ( -5.805 2.739 -6.793) 9.346 21.750 ( 3.423 -2.590 3.636) 5.626 21.750 ( 3.423 2.590 3.636) 5.626 22.045 ( -4.725 -1.419 -0.630) 4.973 22.045 ( -4.725 1.419 -0.630) 4.973 22.131 ( 11.951 -3.942 3.598) 13.088 22.131 ( 11.951 3.942 3.598) 13.088 22.839 ( -8.976 -4.155 0.771) 9.921 22.839 ( -8.976 4.155 0.771) 9.921 23.994 ( 16.419 -10.825 -2.195) 19.788 23.994 ( 16.419 10.825 -2.195) 19.788 25.088 ( -15.721 -6.561 -2.108) 17.165 25.088 ( -15.721 6.561 -2.108) 17.165 26.256 ( 4.283 -9.122 10.315) 14.421 26.256 ( 4.283 9.122 10.315) 14.421 26.669 ( -8.903 -13.256 15.371) 22.164 26.669 ( -8.903 13.256 15.371) 22.164 27.328 ( 2.169 -11.473 -3.262) 12.123 27.328 ( 2.169 11.473 -3.262) 12.123 27.621 ( -7.291 -11.239 0.881) 13.426 27.621 ( -7.291 11.239 0.881) 13.426 28.312 ( 19.450 -1.538 -2.321) 19.648 28.312 ( 19.450 1.538 -2.321) 19.648 29.547 ( -14.898 -3.032 -13.077) 20.054 29.547 ( -14.898 3.032 -13.077) 20.054 29.989 ( 1.737 -13.540 1.158) 13.700 29.989 ( 1.737 13.540 1.158) 13.700 30.488 ( -12.415 -4.989 -2.165) 13.554 30.488 ( -12.415 4.989 -2.165) 13.554 31.115 ( 7.893 -10.155 -4.842) 13.743 31.115 ( 7.893 10.155 -4.842) 13.743 31.534 ( -5.312 -7.777 -4.509) 10.442 31.534 ( -5.312 7.777 -4.509) 10.442 32.495 ( 2.196 -2.911 6.312) 7.290 32.495 ( 2.196 2.911 6.312) 7.290 32.848 ( -6.009 -0.664 -1.561) 6.243 32.848 ( -6.009 0.664 -1.561) 6.243 34.911 ( 11.903 -2.102 3.649) 12.626 34.911 ( 11.903 2.102 3.649) 12.626 35.268 ( -0.529 -6.571 -1.507) 6.763 35.268 ( -0.529 6.571 -1.507) 6.763 35.818 ( 26.287 -2.160 3.076) 26.554 35.818 ( 26.287 2.160 3.076) 26.554 36.120 ( 20.715 -3.518 -4.339) 21.455 36.120 ( 20.715 3.518 -4.339) 21.455 37.241 ( -17.168 -0.845 6.248) 18.289 37.241 ( -17.168 0.845 6.248) 18.289 37.637 ( -18.456 -1.127 -0.387) 18.494 37.637 ( -18.456 1.127 -0.387) 18.494 46.953 ( 1.128 -1.109 9.213) 9.348 46.953 ( 1.128 1.109 9.213) 9.348 47.030 ( -1.011 -1.231 8.994) 9.134 47.030 ( -1.011 1.231 8.994) 9.134 48.053 ( 0.619 -0.726 -7.821) 7.879 48.053 ( 0.619 0.726 -7.821) 7.879 48.101 ( -0.804 -3.427 -5.232) 6.305 48.101 ( -0.804 3.427 -5.232) 6.305 49.807 ( 2.001 -2.494 0.389) 3.221 49.807 ( 2.001 2.494 0.389) 3.221 49.945 ( -1.840 -4.337 0.245) 4.717 49.945 ( -1.840 4.337 0.245) 4.717 73.044 ( 3.323 -2.799 16.744) 17.299 73.044 ( 3.323 2.799 16.744) 17.299 73.331 ( -5.691 -10.904 25.536) 28.344 73.331 ( -5.691 10.904 25.536) 28.344 75.706 ( 2.476 -12.603 -23.290) 26.597 75.706 ( 2.476 12.603 -23.290) 26.597 75.934 ( -4.607 -18.091 -18.980) 26.623 75.934 ( -4.607 18.091 -18.980) 26.623 77.034 ( -3.085 -15.647 8.170) 17.919 77.034 ( -3.085 15.647 8.170) 17.919 77.255 ( -8.441 -16.410 1.669) 18.529 77.255 ( -8.441 16.410 1.669) 18.529 78.876 ( 11.290 -34.133 -8.787) 37.010 78.876 ( 11.290 34.133 -8.787) 37.010 79.331 ( -5.333 -34.626 -7.071) 35.741 79.331 ( -5.333 34.626 -7.071) 35.741 85.546 ( 3.100 -11.646 -5.696) 13.330 85.546 ( 3.100 11.646 -5.696) 13.330 85.678 ( -0.894 -11.871 -9.168) 15.025 85.678 ( -0.894 11.871 -9.168) 15.025 86.586 ( 14.094 -3.426 5.540) 15.526 86.586 ( 14.094 3.426 5.540) 15.526 87.491 ( -15.153 -5.908 16.392) 23.092 87.491 ( -15.153 5.908 16.392) 23.092 102.781 ( 2.394 -0.990 1.260) 2.881 102.781 ( 2.394 0.990 1.260) 2.881 102.940 ( -2.385 -1.126 0.286) 2.653 102.940 ( -2.385 1.126 0.286) 2.653 103.081 ( 1.641 -2.162 -1.666) 3.184 103.081 ( 1.641 2.162 -1.666) 3.184 103.188 ( -1.763 -7.040 -5.563) 9.144 103.188 ( -1.763 7.040 -5.563) 9.144 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.43 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 14.573 -5.347 10.413) 18.692 1.457 ( 14.573 5.347 10.413) 18.692 1.737 ( -10.134 -1.810 6.789) 12.332 1.737 ( -10.134 1.810 6.789) 12.332 2.048 ( 6.594 -7.190 6.409) 11.673 2.048 ( 6.594 7.190 6.409) 11.673 2.242 ( -10.247 -5.083 4.644) 12.345 2.242 ( -10.247 5.083 4.644) 12.345 2.470 ( 0.329 -3.561 2.273) 4.238 2.470 ( 0.329 3.561 2.273) 4.238 2.515 ( -3.929 -2.869 -0.065) 4.866 2.515 ( -3.929 2.869 -0.065) 4.866 3.575 ( 3.089 -2.356 -4.754) 6.139 3.575 ( 3.089 2.356 -4.754) 6.139 3.647 ( -4.277 -1.665 -6.624) 8.058 3.647 ( -4.277 1.665 -6.624) 8.058 4.001 ( 4.461 -5.592 -3.031) 7.769 4.001 ( 4.461 5.592 -3.031) 7.769 4.065 ( -2.420 -4.590 -3.808) 6.437 4.065 ( -2.420 4.590 -3.808) 6.437 4.354 ( 6.301 -10.504 -3.597) 12.767 4.354 ( 6.301 10.504 -3.597) 12.767 4.493 ( -5.479 -9.893 -2.687) 11.624 4.493 ( -5.479 9.893 -2.687) 11.624 4.734 ( 2.330 -5.542 -1.026) 6.099 4.734 ( 2.330 5.542 -1.026) 6.099 4.811 ( -4.459 -4.917 0.553) 6.661 4.811 ( -4.459 4.917 0.553) 6.661 5.143 ( 6.461 -5.260 2.928) 8.831 5.143 ( 6.461 5.260 2.928) 8.831 5.272 ( -6.244 -4.663 2.231) 8.106 5.272 ( -6.244 4.663 2.231) 8.106 5.395 ( 7.339 -0.939 1.712) 7.595 5.395 ( 7.339 0.939 1.712) 7.595 5.539 ( -6.608 -0.940 3.495) 7.534 5.539 ( -6.608 0.940 3.495) 7.534 5.940 ( 6.166 -4.386 -2.951) 8.122 5.940 ( 6.166 4.386 -2.951) 8.122 6.044 ( -4.666 -6.444 -2.904) 8.470 6.044 ( -4.666 6.444 -2.904) 8.470 6.471 ( 4.311 -4.795 2.368) 6.869 6.471 ( 4.311 4.795 2.368) 6.869 6.587 ( -6.910 -4.976 2.461) 8.864 6.587 ( -6.910 4.976 2.461) 8.864 7.365 ( 5.334 -5.305 0.698) 7.555 7.365 ( 5.334 5.305 0.698) 7.555 7.482 ( -6.224 -4.087 0.955) 7.507 7.482 ( -6.224 4.087 0.955) 7.507 7.776 ( 3.284 -3.551 0.366) 4.851 7.776 ( 3.284 3.551 0.366) 4.851 7.827 ( -1.875 -4.182 -1.168) 4.730 7.827 ( -1.875 4.182 -1.168) 4.730 8.690 ( 4.562 -11.501 -0.515) 12.383 8.690 ( 4.562 11.501 -0.515) 12.383 8.768 ( -3.449 -7.929 -1.658) 8.804 8.768 ( -3.449 7.929 -1.658) 8.804 9.796 ( 4.789 -9.374 7.659) 13.018 9.796 ( 4.789 9.374 7.659) 13.018 9.897 ( -5.067 -9.675 8.216) 13.666 9.897 ( -5.067 9.675 8.216) 13.666 10.388 ( 0.767 -3.363 -2.071) 4.023 10.388 ( 0.767 3.363 -2.071) 4.023 10.427 ( -3.717 -4.524 -2.075) 6.212 10.427 ( -3.717 4.524 -2.075) 6.212 11.510 ( 1.525 -1.838 -2.076) 3.165 11.510 ( 1.525 1.838 -2.076) 3.165 11.521 ( 0.418 -2.155 -2.132) 3.060 11.521 ( 0.418 2.155 -2.132) 3.060 12.365 ( 4.439 -9.014 -0.675) 10.070 12.365 ( 4.439 9.014 -0.675) 10.070 12.448 ( -4.033 -10.706 -0.875) 11.474 12.448 ( -4.033 10.706 -0.875) 11.474 19.931 ( 7.839 -2.071 -2.918) 8.617 19.931 ( 7.839 2.071 -2.918) 8.617 20.083 ( -7.675 -2.438 -4.780) 9.364 20.083 ( -7.675 2.438 -4.780) 9.364 21.836 ( 5.245 -2.682 1.587) 6.101 21.836 ( 5.245 2.682 1.587) 6.101 21.943 ( -5.661 -2.234 0.058) 6.086 21.943 ( -5.661 2.234 0.058) 6.086 22.380 ( 13.481 -3.779 3.258) 14.375 22.380 ( 13.481 3.779 3.258) 14.375 22.632 ( -12.295 -3.466 2.216) 12.965 22.632 ( -12.295 3.466 2.216) 12.965 24.350 ( 19.998 -9.154 -2.095) 22.093 24.350 ( 19.998 9.154 -2.095) 22.093 24.739 ( -19.834 -7.133 -2.159) 21.188 24.739 ( -19.834 7.133 -2.159) 21.188 26.359 ( 6.348 -9.935 11.421) 16.415 26.359 ( 6.348 9.935 11.421) 16.415 26.500 ( -8.275 -11.530 13.261) 19.423 26.500 ( -8.275 11.530 13.261) 19.423 27.388 ( 4.140 -10.673 -2.700) 11.762 27.388 ( 4.140 10.673 -2.700) 11.762 27.488 ( -6.220 -10.314 -1.093) 12.094 27.488 ( -6.220 10.314 -1.093) 12.094 28.725 ( 22.855 -1.717 -5.193) 23.500 28.725 ( 22.855 1.717 -5.193) 23.500 29.168 ( -22.511 -2.407 -9.000) 24.363 29.168 ( -22.511 2.407 -9.000) 24.363 30.087 ( 7.464 -11.726 0.083) 13.900 30.087 ( 7.464 11.726 0.083) 13.900 30.263 ( -10.659 -8.848 -1.286) 13.912 30.263 ( -10.659 8.848 -1.286) 13.912 31.269 ( 7.890 -10.824 -4.450) 14.114 31.269 ( 7.890 10.824 -4.450) 14.114 31.414 ( -7.022 -10.217 -4.414) 13.160 31.414 ( -7.022 10.217 -4.414) 13.160 32.580 ( 6.305 -2.383 3.218) 7.469 32.580 ( 6.305 2.383 3.218) 7.469 32.717 ( -7.359 -1.328 0.323) 7.485 32.717 ( -7.359 1.328 0.323) 7.485 35.105 ( 7.935 -4.058 1.203) 8.993 35.105 ( 7.935 4.058 1.203) 8.993 35.219 ( -4.181 -5.564 -0.493) 6.977 35.219 ( -4.181 5.564 -0.493) 6.977 36.319 ( 24.958 -0.750 2.761) 25.122 36.319 ( 24.958 0.750 2.761) 25.122 36.573 ( 17.819 -1.402 -2.734) 18.082 36.573 ( 17.819 1.402 -2.734) 18.082 36.892 ( -12.136 -0.513 5.646) 13.395 36.892 ( -12.136 0.513 5.646) 13.395 37.209 ( -25.174 -0.814 -0.266) 25.188 37.209 ( -25.174 0.814 -0.266) 25.188 46.979 ( 1.444 -0.341 9.160) 9.279 46.979 ( 1.444 0.341 9.160) 9.279 47.007 ( -1.397 -0.641 9.062) 9.191 47.007 ( -1.397 0.641 9.062) 9.191 48.067 ( 0.828 -0.712 -6.895) 6.981 48.067 ( 0.828 0.712 -6.895) 6.981 48.084 ( -0.908 -2.053 -5.999) 6.405 48.084 ( -0.908 2.053 -5.999) 6.405 49.852 ( 2.583 -3.172 0.256) 4.099 49.852 ( 2.583 3.172 0.256) 4.099 49.902 ( -2.523 -3.882 0.171) 4.633 49.902 ( -2.523 3.882 0.171) 4.633 73.121 ( 4.646 -4.419 19.445) 20.475 73.121 ( 4.646 4.419 19.445) 20.475 73.220 ( -5.614 -7.096 22.641) 24.383 73.220 ( -5.614 7.096 22.641) 24.383 75.766 ( 3.652 -16.298 -21.875) 27.522 75.766 ( 3.652 16.298 -21.875) 27.522 75.845 ( -4.496 -18.095 -20.210) 27.497 75.845 ( -4.496 18.095 -20.210) 27.497 77.028 ( 2.336 -17.263 6.585) 18.623 77.028 ( 2.336 17.263 6.585) 18.623 77.113 ( -6.156 -17.671 4.495) 19.245 77.113 ( -6.156 17.671 4.495) 19.245 79.068 ( 8.676 -36.044 -7.006) 37.729 79.068 ( 8.676 36.044 -7.006) 37.729 79.215 ( -6.748 -36.795 -6.330) 37.941 79.215 ( -6.748 36.795 -6.330) 37.941 85.602 ( 2.717 -13.552 -7.006) 15.496 85.602 ( 2.717 13.552 -7.006) 15.496 85.648 ( -2.064 -13.732 -8.485) 16.273 85.648 ( -2.064 13.732 -8.485) 16.273 86.876 ( 15.738 -5.530 8.114) 18.550 86.876 ( 15.738 5.530 8.114) 18.550 87.185 ( -16.223 -6.505 12.369) 21.413 87.185 ( -16.223 6.505 12.369) 21.413 102.833 ( 2.910 -1.048 0.970) 3.242 102.833 ( 2.910 1.048 0.970) 3.242 102.889 ( -2.872 -1.109 0.624) 3.141 102.889 ( -2.872 1.109 0.624) 3.141 103.115 ( 1.884 -3.940 -2.565) 5.065 103.115 ( 1.884 3.940 -2.565) 5.065 103.152 ( -1.931 -5.861 -3.853) 7.275 103.152 ( -1.931 5.861 -3.853) 7.275 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 0.000 17.343) 17.343 1.413 ( 0.000 0.000 21.825) 21.825 1.840 ( 0.000 0.000 0.816) 0.816 2.006 ( 0.000 0.000 -8.799) 8.799 2.103 ( 0.000 0.000 10.270) 10.270 2.159 ( 0.000 0.000 -5.989) 5.989 2.242 ( 0.000 0.000 -6.007) 6.007 2.328 ( 0.000 0.000 18.257) 18.257 2.709 ( 0.000 0.000 4.330) 4.330 2.817 ( 0.000 0.000 4.792) 4.792 2.966 ( 0.000 0.000 3.633) 3.633 3.039 ( 0.000 0.000 -0.122) 0.122 3.134 ( 0.000 0.000 10.709) 10.709 3.538 ( 0.000 0.000 -4.622) 4.622 3.612 ( 0.000 0.000 6.300) 6.300 3.890 ( 0.000 0.000 7.420) 7.420 3.961 ( 0.000 0.000 -1.324) 1.324 3.978 ( 0.000 0.000 -7.872) 7.872 4.066 ( 0.000 0.000 -3.622) 3.622 4.067 ( 0.000 0.000 0.940) 0.940 4.092 ( 0.000 0.000 -6.348) 6.348 4.306 ( 0.000 0.000 -7.717) 7.717 4.339 ( 0.000 0.000 3.970) 3.970 4.505 ( 0.000 0.000 -11.454) 11.454 4.507 ( 0.000 0.000 -11.228) 11.228 4.773 ( 0.000 0.000 -4.460) 4.460 4.773 ( 0.000 0.000 -1.845) 1.845 4.879 ( 0.000 0.000 -6.968) 6.968 4.964 ( 0.000 0.000 -1.645) 1.645 5.053 ( 0.000 0.000 0.484) 0.484 5.230 ( 0.000 0.000 7.515) 7.515 5.237 ( 0.000 0.000 1.026) 1.026 5.312 ( 0.000 0.000 4.387) 4.387 5.568 ( 0.000 0.000 2.155) 2.155 5.581 ( 0.000 0.000 -6.763) 6.763 5.615 ( 0.000 0.000 5.151) 5.151 5.779 ( 0.000 0.000 -2.807) 2.807 5.923 ( 0.000 0.000 3.283) 3.283 6.157 ( 0.000 0.000 3.676) 3.676 6.187 ( 0.000 0.000 -5.883) 5.883 6.222 ( 0.000 0.000 -9.577) 9.577 6.396 ( 0.000 0.000 -2.381) 2.381 6.702 ( 0.000 0.000 6.174) 6.174 6.982 ( 0.000 0.000 -4.525) 4.525 7.197 ( 0.000 0.000 4.830) 4.830 7.371 ( 0.000 0.000 0.844) 0.844 7.397 ( 0.000 0.000 4.675) 4.675 7.692 ( 0.000 0.000 1.813) 1.813 7.753 ( 0.000 0.000 -0.403) 0.403 7.781 ( 0.000 0.000 -5.947) 5.947 7.931 ( 0.000 0.000 9.242) 9.242 7.986 ( 0.000 0.000 5.445) 5.445 8.343 ( 0.000 0.000 15.962) 15.962 8.742 ( 0.000 0.000 -0.167) 0.167 8.999 ( 0.000 0.000 -0.409) 0.409 9.268 ( 0.000 0.000 -5.786) 5.786 9.536 ( 0.000 0.000 11.217) 11.217 10.001 ( 0.000 0.000 7.670) 7.670 10.131 ( 0.000 0.000 -7.541) 7.541 10.159 ( 0.000 0.000 4.214) 4.214 10.353 ( 0.000 0.000 -6.857) 6.857 10.411 ( 0.000 0.000 -1.288) 1.288 10.809 ( 0.000 0.000 -5.968) 5.968 10.816 ( 0.000 0.000 -2.470) 2.470 10.913 ( 0.000 0.000 -7.970) 7.970 10.957 ( 0.000 0.000 -9.046) 9.046 11.454 ( 0.000 0.000 3.905) 3.905 11.501 ( 0.000 0.000 5.148) 5.148 12.018 ( 0.000 0.000 5.919) 5.919 12.279 ( 0.000 0.000 -1.591) 1.591 12.516 ( 0.000 0.000 -1.753) 1.753 12.586 ( 0.000 0.000 -2.450) 2.450 19.628 ( 0.000 0.000 2.440) 2.440 19.792 ( 0.000 0.000 4.080) 4.080 20.053 ( 0.000 0.000 -10.802) 10.802 20.232 ( 0.000 0.000 -9.774) 9.774 21.766 ( 0.000 0.000 2.492) 2.492 21.827 ( 0.000 0.000 7.872) 7.872 21.864 ( 0.000 0.000 -0.662) 0.662 21.933 ( 0.000 0.000 7.520) 7.520 22.124 ( 0.000 0.000 -1.967) 1.967 22.153 ( 0.000 0.000 -0.280) 0.280 22.843 ( 0.000 0.000 1.520) 1.520 23.034 ( 0.000 0.000 -5.372) 5.372 23.427 ( 0.000 0.000 5.320) 5.320 23.818 ( 0.000 0.000 -7.531) 7.531 25.691 ( 0.000 0.000 -2.713) 2.713 25.736 ( 0.000 0.000 -2.601) 2.601 26.176 ( 0.000 0.000 14.085) 14.085 26.638 ( 0.000 0.000 16.527) 16.527 26.776 ( 0.000 0.000 -5.589) 5.589 26.815 ( 0.000 0.000 16.678) 16.678 27.205 ( 0.000 0.000 -2.093) 2.093 27.661 ( 0.000 0.000 -1.916) 1.916 27.709 ( 0.000 0.000 -11.419) 11.419 27.713 ( 0.000 0.000 -2.982) 2.982 27.742 ( 0.000 0.000 28.796) 28.796 28.395 ( 0.000 0.000 10.305) 10.305 29.449 ( 0.000 0.000 -24.644) 24.644 29.466 ( 0.000 0.000 -30.037) 30.037 29.578 ( 0.000 0.000 8.484) 8.484 30.355 ( 0.000 0.000 -15.359) 15.359 30.488 ( 0.000 0.000 6.891) 6.891 30.724 ( 0.000 0.000 3.837) 3.837 30.921 ( 0.000 0.000 -1.242) 1.242 31.007 ( 0.000 0.000 -9.251) 9.251 31.587 ( 0.000 0.000 -1.798) 1.798 31.604 ( 0.000 0.000 -0.130) 0.130 32.643 ( 0.000 0.000 8.523) 8.523 32.734 ( 0.000 0.000 3.885) 3.885 32.903 ( 0.000 0.000 -2.362) 2.362 32.932 ( 0.000 0.000 -2.528) 2.528 34.738 ( 0.000 0.000 7.588) 7.588 34.777 ( 0.000 0.000 5.466) 5.466 34.978 ( 0.000 0.000 2.243) 2.243 35.074 ( 0.000 0.000 -2.045) 2.045 35.169 ( 0.000 0.000 2.980) 2.980 35.427 ( 0.000 0.000 -8.073) 8.073 35.632 ( 0.000 0.000 -0.243) 0.243 35.728 ( 0.000 0.000 -6.377) 6.377 37.733 ( 0.000 0.000 8.290) 8.290 37.742 ( 0.000 0.000 5.822) 5.822 37.903 ( 0.000 0.000 0.289) 0.289 38.001 ( 0.000 0.000 -0.494) 0.494 47.071 ( 0.000 0.000 12.774) 12.774 47.085 ( 0.000 0.000 9.972) 9.972 47.329 ( 0.000 0.000 12.124) 12.124 47.378 ( 0.000 0.000 12.522) 12.522 47.780 ( 0.000 0.000 -11.036) 11.036 47.794 ( 0.000 0.000 -11.325) 11.325 47.924 ( 0.000 0.000 -8.078) 8.078 48.076 ( 0.000 0.000 -9.145) 9.145 49.722 ( 0.000 0.000 0.854) 0.854 49.769 ( 0.000 0.000 -0.702) 0.702 49.982 ( 0.000 0.000 1.877) 1.877 50.089 ( 0.000 0.000 -1.488) 1.488 73.242 ( 0.000 0.000 17.625) 17.625 73.437 ( 0.000 0.000 23.502) 23.502 73.625 ( 0.000 0.000 25.620) 25.620 74.423 ( 0.000 0.000 -21.794) 21.794 74.994 ( 0.000 0.000 -20.475) 20.475 75.169 ( 0.000 0.000 -34.329) 34.329 76.022 ( 0.000 0.000 4.319) 4.319 76.511 ( 0.000 0.000 8.434) 8.434 76.523 ( 0.000 0.000 -12.873) 12.873 76.931 ( 0.000 0.000 -6.666) 6.666 77.147 ( 0.000 0.000 11.715) 11.715 77.628 ( 0.000 0.000 -3.845) 3.845 78.149 ( 0.000 0.000 8.837) 8.837 78.676 ( 0.000 0.000 1.444) 1.444 79.077 ( 0.000 0.000 -4.560) 4.560 79.712 ( 0.000 0.000 -13.721) 13.721 85.156 ( 0.000 0.000 1.261) 1.261 85.359 ( 0.000 0.000 -2.655) 2.655 85.778 ( 0.000 0.000 0.510) 0.510 85.853 ( 0.000 0.000 0.474) 0.474 86.115 ( 0.000 0.000 0.741) 0.741 86.130 ( 0.000 0.000 -1.334) 1.334 88.048 ( 0.000 0.000 12.515) 12.515 88.321 ( 0.000 0.000 -0.476) 0.476 102.719 ( 0.000 0.000 0.929) 0.929 102.793 ( 0.000 0.000 -1.585) 1.585 102.820 ( 0.000 0.000 3.837) 3.837 102.995 ( 0.000 0.000 0.511) 0.511 103.012 ( 0.000 0.000 -0.171) 0.171 103.038 ( 0.000 0.000 0.450) 0.450 103.116 ( 0.000 0.000 -1.407) 1.407 103.171 ( 0.000 0.000 -7.476) 7.476 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.875 0.000 16.546) 16.569 1.466 ( 5.351 0.000 19.660) 20.375 1.811 ( -1.787 0.000 -0.524) 1.862 2.001 ( -0.473 0.000 -6.721) 6.737 2.146 ( 3.708 0.000 9.479) 10.178 2.150 ( -0.970 0.000 -5.811) 5.892 2.219 ( -2.404 0.000 -4.859) 5.421 2.397 ( 5.435 0.000 15.241) 16.181 2.687 ( -2.002 0.000 5.662) 6.005 2.761 ( -6.159 0.000 3.994) 7.340 2.900 ( -5.863 0.000 5.289) 7.896 2.929 ( -10.099 0.000 2.834) 10.489 3.202 ( 6.653 0.000 7.994) 10.400 3.524 ( -0.881 0.000 -4.141) 4.234 3.612 ( -0.161 0.000 6.063) 6.065 3.794 ( -8.199 0.000 4.225) 9.223 3.850 ( -6.918 0.000 -4.178) 8.082 3.992 ( -2.783 0.000 -4.549) 5.332 4.067 ( -2.000 0.000 -7.386) 7.652 4.074 ( 0.530 0.000 -2.657) 2.709 4.150 ( 4.173 0.000 -3.440) 5.408 4.245 ( -4.482 0.000 -7.506) 8.742 4.357 ( 2.086 0.000 3.530) 4.100 4.388 ( -3.823 0.000 -5.902) 7.032 4.639 ( 8.694 0.000 -12.399) 15.144 4.790 ( 0.114 0.000 -7.884) 7.885 4.836 ( -0.265 0.000 0.891) 0.930 4.913 ( 8.707 0.000 -3.659) 9.445 4.950 ( -0.123 0.000 2.122) 2.126 5.041 ( -1.130 0.000 -0.688) 1.323 5.222 ( -1.524 0.000 2.640) 3.048 5.293 ( 2.608 0.000 5.119) 5.745 5.369 ( 6.774 0.000 0.869) 6.829 5.575 ( -0.908 0.000 -6.401) 6.465 5.579 ( 1.490 0.000 1.137) 1.874 5.635 ( 2.183 0.000 6.449) 6.809 5.759 ( -1.691 0.000 -1.923) 2.561 5.973 ( 4.939 0.000 2.538) 5.554 6.104 ( -3.739 0.000 -1.018) 3.875 6.206 ( 2.170 0.000 -5.569) 5.977 6.243 ( -0.887 0.000 -1.111) 1.421 6.363 ( -2.266 0.000 -4.280) 4.842 6.666 ( -3.594 0.000 5.697) 6.736 6.908 ( -6.939 0.000 -3.586) 7.811 7.177 ( -0.355 0.000 5.769) 5.780 7.416 ( 3.098 0.000 -0.716) 3.180 7.438 ( 3.514 0.000 3.563) 5.004 7.686 ( -2.616 0.000 -0.980) 2.793 7.705 ( 0.142 0.000 0.939) 0.949 7.834 ( 2.399 0.000 -3.667) 4.382 7.915 ( -1.257 0.000 8.886) 8.974 7.977 ( -2.090 0.000 5.562) 5.942 8.336 ( 0.165 0.000 13.215) 13.216 8.733 ( -1.232 0.000 -0.984) 1.576 8.931 ( -6.187 0.000 0.920) 6.255 9.206 ( -6.011 0.000 -6.283) 8.696 9.563 ( 2.747 0.000 11.203) 11.535 9.972 ( -2.655 0.000 7.608) 8.058 10.142 ( 1.076 0.000 -6.596) 6.683 10.171 ( 1.234 0.000 3.984) 4.171 10.334 ( -1.678 0.000 -5.238) 5.500 10.401 ( -1.186 0.000 -1.731) 2.099 10.814 ( 1.082 0.000 -4.877) 4.995 10.846 ( 2.439 0.000 -2.537) 3.519 10.920 ( 0.878 0.000 -7.710) 7.760 10.973 ( 1.409 0.000 -6.934) 7.075 11.451 ( -0.019 0.000 3.592) 3.592 11.515 ( 1.030 0.000 3.380) 3.533 12.036 ( 1.859 0.000 6.029) 6.309 12.302 ( 2.212 0.000 -1.344) 2.588 12.432 ( -5.061 0.000 1.911) 5.410 12.645 ( 2.438 0.000 -5.959) 6.439 19.652 ( 2.476 0.000 1.881) 3.109 19.807 ( 1.730 0.000 3.764) 4.142 20.037 ( -1.650 0.000 -10.060) 10.194 20.221 ( -1.369 0.000 -9.238) 9.339 21.743 ( -2.067 0.000 3.967) 4.474 21.846 ( 5.332 0.000 1.797) 5.626 21.939 ( 0.696 0.000 6.936) 6.971 21.985 ( 6.988 0.000 1.582) 7.165 22.111 ( 0.210 0.000 -0.298) 0.364 22.138 ( -1.487 0.000 -0.182) 1.498 22.826 ( -1.935 0.000 1.614) 2.520 22.985 ( -5.012 0.000 -4.759) 6.911 23.523 ( 9.841 0.000 5.215) 11.138 23.920 ( 10.144 0.000 -8.031) 12.938 25.554 ( -14.967 0.000 0.952) 14.997 25.602 ( -11.578 0.000 -3.243) 12.024 26.192 ( 1.642 0.000 13.874) 13.971 26.599 ( -3.823 0.000 15.658) 16.118 26.792 ( 1.612 0.000 -5.601) 5.828 26.811 ( 0.136 0.000 16.374) 16.374 27.175 ( -2.974 0.000 -3.085) 4.285 27.588 ( -8.723 0.000 6.159) 10.678 27.650 ( 0.156 0.000 -0.342) 0.376 27.785 ( 5.016 0.000 -4.368) 6.651 27.890 ( 10.922 0.000 7.456) 13.224 28.393 ( 0.712 0.000 10.892) 10.915 29.356 ( -10.869 0.000 -27.126) 29.222 29.425 ( -2.779 0.000 -23.131) 23.297 29.612 ( 3.213 0.000 7.882) 8.512 30.344 ( -1.202 0.000 -13.817) 13.869 30.571 ( 7.693 0.000 5.715) 9.584 30.649 ( -7.129 0.000 2.228) 7.469 30.795 ( -11.982 0.000 -1.602) 12.088 31.076 ( 6.498 0.000 -9.398) 11.426 31.502 ( -7.132 0.000 1.678) 7.327 31.611 ( -0.284 0.000 -3.181) 3.194 32.610 ( -2.936 0.000 7.584) 8.132 32.701 ( -2.464 0.000 4.265) 4.925 32.881 ( -2.086 0.000 -2.252) 3.070 32.890 ( -4.118 0.000 -3.155) 5.188 34.820 ( 4.950 0.000 5.424) 7.343 34.859 ( 11.603 0.000 7.867) 14.018 35.108 ( 0.244 0.000 -1.300) 1.323 35.194 ( 18.877 0.000 -0.352) 18.880 35.369 ( 21.001 0.000 0.860) 21.019 35.543 ( 12.382 0.000 -6.415) 13.945 35.616 ( 0.737 0.000 1.138) 1.356 35.828 ( 9.679 0.000 -5.762) 11.264 37.638 ( -9.680 0.000 8.172) 12.668 37.644 ( -9.962 0.000 5.812) 11.533 37.822 ( -8.645 0.000 -0.429) 8.655 37.908 ( -9.626 0.000 -0.649) 9.648 47.086 ( 1.518 0.000 12.771) 12.861 47.094 ( 0.901 0.000 10.136) 10.176 47.313 ( -1.680 0.000 12.047) 12.163 47.363 ( -1.604 0.000 12.514) 12.616 47.793 ( 1.297 0.000 -10.864) 10.941 47.809 ( 1.479 0.000 -11.151) 11.249 47.922 ( -0.267 0.000 -8.240) 8.245 48.063 ( -1.390 0.000 -9.219) 9.323 49.730 ( 0.812 0.000 0.884) 1.200 49.774 ( 0.555 0.000 -0.505) 0.751 49.972 ( -0.864 0.000 2.023) 2.200 50.081 ( -0.904 0.000 -1.740) 1.960 73.260 ( 1.780 0.000 18.029) 18.117 73.482 ( 4.680 0.000 24.376) 24.821 73.602 ( -2.264 0.000 25.177) 25.279 74.456 ( 3.282 0.000 -21.802) 22.047 74.966 ( -2.795 0.000 -20.626) 20.815 75.135 ( -7.790 0.000 -21.994) 23.333 75.695 ( -21.710 0.000 7.662) 23.022 76.478 ( -5.823 0.000 -15.575) 16.628 76.535 ( 2.330 0.000 8.585) 8.896 76.907 ( -2.270 0.000 -1.994) 3.021 77.180 ( 3.164 0.000 7.126) 7.797 77.606 ( -2.201 0.000 -3.842) 4.428 78.144 ( 0.331 0.000 7.848) 7.855 78.625 ( -5.302 0.000 -1.304) 5.460 79.298 ( 17.835 0.000 -9.137) 20.040 79.829 ( 10.260 0.000 -18.667) 21.301 85.131 ( -2.235 0.000 2.993) 3.735 85.305 ( -4.854 0.000 0.295) 4.863 85.807 ( 2.925 0.000 -1.601) 3.334 85.902 ( 4.021 0.000 -2.592) 4.784 86.172 ( 4.447 0.000 -0.578) 4.484 86.197 ( 7.700 0.000 0.267) 7.705 87.969 ( -7.829 0.000 12.447) 14.704 88.214 ( -10.139 0.000 2.516) 10.446 102.730 ( 1.185 0.000 0.874) 1.472 102.803 ( 0.973 0.000 -1.617) 1.888 102.830 ( 1.056 0.000 3.700) 3.848 102.987 ( -0.724 0.000 0.600) 0.941 103.009 ( -0.345 0.000 -0.255) 0.430 103.024 ( -1.369 0.000 0.545) 1.473 103.113 ( 0.288 0.000 -1.641) 1.666 103.198 ( 1.840 0.000 -7.992) 8.201 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 10.939 0.000 12.573) 16.666 1.607 ( 8.949 0.000 14.413) 16.965 1.821 ( 3.721 0.000 -1.443) 3.991 1.994 ( -0.253 0.000 -3.066) 3.076 2.120 ( -2.189 0.000 -4.591) 5.086 2.147 ( -4.984 0.000 -1.786) 5.294 2.203 ( 0.598 0.000 5.836) 5.866 2.449 ( -2.390 0.000 6.792) 7.200 2.577 ( -11.641 0.000 4.562) 12.503 2.640 ( -3.507 0.000 6.519) 7.402 2.736 ( -6.811 0.000 10.034) 12.127 2.783 ( -5.580 0.000 8.706) 10.341 3.344 ( 6.218 0.000 0.019) 6.218 3.545 ( 4.260 0.000 -1.613) 4.555 3.593 ( -2.320 0.000 4.003) 4.627 3.643 ( -5.971 0.000 0.253) 5.976 3.741 ( -2.976 0.000 -3.969) 4.961 3.896 ( -6.057 0.000 -5.787) 8.377 3.958 ( -11.858 0.000 -10.589) 15.898 4.018 ( -3.227 0.000 -4.949) 5.908 4.147 ( 1.294 0.000 -3.015) 3.281 4.236 ( -1.260 0.000 -4.653) 4.820 4.413 ( 3.383 0.000 1.917) 3.889 4.470 ( 10.683 0.000 2.176) 10.903 4.724 ( -6.296 0.000 -7.017) 9.428 4.806 ( 5.688 0.000 -2.530) 6.225 4.855 ( 4.746 0.000 -4.692) 6.674 4.975 ( 0.727 0.000 0.574) 0.926 5.031 ( 0.715 0.000 -1.142) 1.347 5.065 ( 4.673 0.000 -3.474) 5.823 5.195 ( -0.119 0.000 4.765) 4.766 5.314 ( 1.113 0.000 4.292) 4.434 5.499 ( 5.262 0.000 -2.391) 5.780 5.529 ( -4.223 0.000 -5.724) 7.113 5.644 ( -0.603 0.000 5.325) 5.359 5.663 ( 3.639 0.000 2.753) 4.563 5.763 ( 4.480 0.000 0.234) 4.486 6.026 ( -5.504 0.000 -3.541) 6.545 6.097 ( 7.578 0.000 1.890) 7.810 6.152 ( -5.090 0.000 3.928) 6.430 6.275 ( 4.899 0.000 -4.419) 6.598 6.341 ( -1.610 0.000 -3.694) 4.030 6.572 ( -5.951 0.000 4.443) 7.427 6.746 ( -9.217 0.000 -2.518) 9.555 7.213 ( 3.939 0.000 5.277) 6.585 7.452 ( 0.086 0.000 -0.974) 0.978 7.508 ( 3.503 0.000 2.200) 4.136 7.638 ( -1.885 0.000 -0.943) 2.108 7.731 ( 2.055 0.000 1.460) 2.521 7.855 ( -0.288 0.000 -2.586) 2.602 7.883 ( -2.584 0.000 7.234) 7.682 7.900 ( -4.309 0.000 5.687) 7.135 8.373 ( 3.496 0.000 8.085) 8.808 8.676 ( -5.074 0.000 -0.814) 5.139 8.823 ( -3.364 0.000 0.504) 3.402 9.062 ( -8.241 0.000 -6.846) 10.714 9.635 ( 4.580 0.000 11.033) 11.946 9.909 ( -3.824 0.000 8.515) 9.334 10.172 ( 2.062 0.000 -5.491) 5.866 10.202 ( 1.851 0.000 3.309) 3.791 10.300 ( -1.667 0.000 -2.142) 2.714 10.362 ( -2.900 0.000 -2.529) 3.848 10.850 ( 2.477 0.000 -3.246) 4.084 10.895 ( 2.200 0.000 -2.071) 3.021 10.947 ( 1.819 0.000 -5.936) 6.208 10.999 ( 0.997 0.000 -4.537) 4.645 11.460 ( 0.930 0.000 1.719) 1.954 11.528 ( 0.074 0.000 0.718) 0.721 12.087 ( 3.367 0.000 6.144) 7.006 12.315 ( -3.022 0.000 5.172) 5.990 12.395 ( 3.216 0.000 -3.087) 4.458 12.651 ( -1.781 0.000 -6.812) 7.041 19.719 ( 4.357 0.000 0.273) 4.366 19.864 ( 4.217 0.000 2.244) 4.777 19.989 ( -3.362 0.000 -7.998) 8.676 20.171 ( -3.839 0.000 -7.155) 8.119 21.730 ( 0.767 0.000 2.819) 2.922 21.925 ( -1.297 0.000 -3.953) 4.160 21.961 ( 1.531 0.000 5.347) 5.562 22.075 ( 8.402 0.000 4.984) 9.769 22.099 ( -2.467 0.000 0.308) 2.486 22.243 ( 11.108 0.000 1.101) 11.162 22.755 ( -5.983 0.000 2.160) 6.361 22.849 ( -8.659 0.000 -3.145) 9.212 23.797 ( 18.271 0.000 4.790) 18.889 24.184 ( 16.671 0.000 -8.194) 18.576 25.174 ( -23.057 0.000 3.593) 23.336 25.313 ( -17.977 0.000 -3.134) 18.248 26.238 ( 3.126 0.000 13.434) 13.792 26.507 ( -5.335 0.000 14.244) 15.211 26.839 ( 3.231 0.000 -5.920) 6.744 26.846 ( 3.929 0.000 15.884) 16.363 27.101 ( -4.506 0.000 -4.949) 6.693 27.384 ( -11.864 0.000 11.048) 16.211 27.671 ( 1.888 0.000 1.318) 2.302 27.840 ( -0.171 0.000 -3.237) 3.241 28.135 ( 14.084 0.000 -3.520) 14.518 28.478 ( 9.201 0.000 8.206) 12.329 29.081 ( -16.698 0.000 -22.221) 27.796 29.313 ( -9.644 0.000 -17.958) 20.383 29.703 ( 6.541 0.000 7.020) 9.595 30.304 ( -3.811 0.000 -8.065) 8.920 30.476 ( -10.646 0.000 -0.508) 10.658 30.548 ( -10.095 0.000 -6.640) 12.083 30.744 ( 9.558 0.000 5.534) 11.045 31.208 ( 4.044 0.000 -6.677) 7.806 31.357 ( -5.011 0.000 2.026) 5.405 31.594 ( -1.672 0.000 -5.760) 5.998 32.561 ( -1.339 0.000 5.606) 5.764 32.673 ( 0.007 0.000 4.103) 4.103 32.788 ( -6.061 0.000 -3.187) 6.848 32.829 ( -3.169 0.000 -1.417) 3.471 34.934 ( 5.764 0.000 3.078) 6.534 35.101 ( -0.799 0.000 -1.261) 1.493 35.107 ( 12.110 0.000 5.883) 13.463 35.428 ( 1.496 0.000 -4.352) 4.602 35.837 ( 25.213 0.000 0.216) 25.214 35.846 ( 24.788 0.000 5.404) 25.370 35.930 ( 27.431 0.000 -3.482) 27.652 36.117 ( 20.828 0.000 -4.407) 21.289 37.369 ( -17.948 0.000 7.750) 19.550 37.370 ( -18.063 0.000 5.585) 18.907 37.567 ( -17.709 0.000 -1.349) 17.760 37.635 ( -18.532 0.000 -0.979) 18.558 47.120 ( 1.798 0.000 10.500) 10.653 47.128 ( 2.750 0.000 12.751) 13.044 47.269 ( -2.670 0.000 11.771) 12.070 47.319 ( -2.848 0.000 12.534) 12.853 47.825 ( 1.898 0.000 -10.359) 10.531 47.849 ( 2.621 0.000 -10.733) 11.048 47.913 ( -0.742 0.000 -8.633) 8.665 48.024 ( -2.523 0.000 -9.437) 9.768 49.750 ( 1.224 0.000 1.067) 1.624 49.788 ( 0.777 0.000 -0.095) 0.782 49.958 ( -0.363 0.000 1.650) 1.689 50.053 ( -2.020 0.000 -1.804) 2.709 73.309 ( 3.241 0.000 19.148) 19.421 73.543 ( -3.752 0.000 24.034) 24.326 73.618 ( 9.540 0.000 26.782) 28.430 74.542 ( 5.502 0.000 -21.821) 22.504 74.719 ( -28.901 0.000 22.884) 36.863 74.891 ( -4.944 0.000 -21.002) 21.576 75.581 ( 6.391 0.000 -21.994) 22.903 76.303 ( -11.755 0.000 -19.887) 23.101 76.597 ( 3.987 0.000 8.844) 9.702 76.849 ( -3.635 0.000 4.163) 5.527 77.259 ( 4.823 0.000 1.145) 4.957 77.546 ( -3.948 0.000 -3.768) 5.458 78.175 ( 2.920 0.000 5.196) 5.960 78.499 ( -7.137 0.000 -1.566) 7.306 79.621 ( 14.912 0.000 -12.544) 19.486 80.003 ( 5.645 0.000 -24.865) 25.498 85.088 ( -1.730 0.000 5.948) 6.194 85.203 ( -5.230 0.000 4.342) 6.797 85.879 ( 4.121 0.000 -5.335) 6.741 85.971 ( 2.609 0.000 -6.934) 7.408 86.289 ( 7.340 0.000 1.372) 7.467 86.373 ( 9.115 0.000 -0.186) 9.117 87.784 ( -9.850 0.000 12.460) 15.883 87.982 ( -12.854 0.000 6.194) 14.269 102.762 ( 1.969 0.000 0.662) 2.077 102.824 ( 0.933 0.000 -1.518) 1.782 102.859 ( 1.944 0.000 3.236) 3.775 102.971 ( -0.765 0.000 0.661) 1.011 102.990 ( -2.010 0.000 1.014) 2.251 102.998 ( -0.791 0.000 -0.383) 0.879 103.131 ( 1.554 0.000 -2.537) 2.975 103.219 ( 0.111 0.000 -7.975) 7.975 ======================= Grid point 108 (40/60) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 18.686 0.000 7.669) 20.199 1.793 ( 9.884 0.000 8.249) 12.874 1.958 ( -5.709 0.000 1.646) 5.941 1.966 ( 11.146 0.000 -1.457) 11.241 2.059 ( -1.426 0.000 -0.523) 1.519 2.076 ( -14.300 0.000 3.893) 14.820 2.078 ( -2.198 0.000 -2.243) 3.140 2.233 ( -15.829 0.000 -0.556) 15.838 2.488 ( 2.149 0.000 9.631) 9.868 2.562 ( -4.375 0.000 7.479) 8.664 2.680 ( -0.446 0.000 10.655) 10.665 2.704 ( -2.607 0.000 11.011) 11.316 3.424 ( 3.445 0.000 -3.656) 5.023 3.505 ( -4.885 0.000 -1.306) 5.057 3.607 ( 2.693 0.000 -4.353) 5.118 3.676 ( 5.552 0.000 -7.224) 9.111 3.736 ( -9.989 0.000 -8.848) 13.344 3.756 ( -0.277 0.000 -2.973) 2.986 3.806 ( 1.912 0.000 -1.645) 2.522 3.933 ( -6.061 0.000 -0.345) 6.071 4.178 ( 1.649 0.000 -1.768) 2.417 4.208 ( -1.522 0.000 -2.145) 2.630 4.484 ( 4.268 0.000 -0.261) 4.276 4.590 ( -6.750 0.000 -3.218) 7.477 4.683 ( 10.096 0.000 2.635) 10.434 4.822 ( -3.487 0.000 3.787) 5.148 4.982 ( 1.019 0.000 -0.309) 1.064 4.982 ( 6.432 0.000 -6.814) 9.371 5.018 ( -2.194 0.000 -0.198) 2.203 5.079 ( -2.826 0.000 -4.801) 5.571 5.265 ( 6.851 0.000 0.733) 6.890 5.388 ( 6.874 0.000 3.521) 7.723 5.412 ( -7.523 0.000 -3.621) 8.349 5.534 ( -7.353 0.000 4.881) 8.825 5.591 ( 5.360 0.000 -2.283) 5.826 5.712 ( -4.157 0.000 0.555) 4.194 5.883 ( 4.830 0.000 3.409) 5.912 5.922 ( -1.353 0.000 -0.373) 1.403 6.139 ( 3.664 0.000 0.833) 3.758 6.254 ( 8.349 0.000 1.926) 8.568 6.261 ( -6.643 0.000 -2.080) 6.961 6.368 ( 1.268 0.000 -1.130) 1.698 6.464 ( -1.882 0.000 1.179) 2.220 6.572 ( -8.521 0.000 -2.038) 8.761 7.310 ( 5.567 0.000 3.474) 6.562 7.409 ( -4.271 0.000 1.117) 4.415 7.568 ( 2.599 0.000 1.228) 2.874 7.607 ( -1.589 0.000 0.170) 1.598 7.778 ( 2.675 0.000 0.329) 2.695 7.828 ( -2.278 0.000 -1.171) 2.561 7.832 ( -0.824 0.000 4.894) 4.963 7.849 ( -2.025 0.000 5.290) 5.664 8.456 ( 4.903 0.000 4.866) 6.908 8.561 ( -6.038 0.000 2.594) 6.572 8.819 ( 2.629 0.000 -4.190) 4.947 8.913 ( -6.771 0.000 -6.416) 9.328 9.731 ( 5.132 0.000 10.508) 11.694 9.827 ( -4.711 0.000 9.631) 10.721 10.224 ( 3.367 0.000 -4.367) 5.514 10.238 ( 1.804 0.000 2.176) 2.826 10.270 ( -1.544 0.000 0.426) 1.602 10.295 ( -3.797 0.000 -3.329) 5.050 10.897 ( 2.058 0.000 -2.021) 2.884 10.918 ( 0.053 0.000 -1.726) 1.727 10.983 ( 1.667 0.000 -4.216) 4.534 11.005 ( -0.442 0.000 -3.652) 3.678 11.486 ( 1.645 0.000 -0.343) 1.680 11.516 ( -1.265 0.000 -0.806) 1.500 12.161 ( 4.115 0.000 6.178) 7.423 12.241 ( -4.136 0.000 6.174) 7.431 12.487 ( 5.382 0.000 -4.638) 7.105 12.586 ( -4.592 0.000 -5.862) 7.447 19.813 ( 5.165 0.000 -2.184) 5.608 19.910 ( -4.735 0.000 -5.136) 6.985 19.964 ( 5.832 0.000 -0.517) 5.855 20.077 ( -5.680 0.000 -3.907) 6.894 21.770 ( 3.319 0.000 0.744) 3.401 21.850 ( -4.671 0.000 -1.678) 4.963 21.998 ( 2.332 0.000 3.303) 4.044 22.048 ( -2.736 0.000 1.481) 3.112 22.304 ( 13.405 0.000 2.817) 13.698 22.454 ( 8.309 0.000 -1.247) 8.403 22.586 ( -9.337 0.000 3.722) 10.051 22.677 ( -9.110 0.000 -0.326) 9.115 24.207 ( 23.713 0.000 3.918) 24.035 24.529 ( 15.977 0.000 -7.401) 17.608 24.710 ( -21.762 0.000 4.736) 22.272 24.939 ( -20.158 0.000 -3.979) 20.547 26.311 ( 4.358 0.000 13.151) 13.854 26.404 ( -5.221 0.000 13.355) 14.340 26.914 ( 4.545 0.000 -6.350) 7.809 26.964 ( 8.254 0.000 15.516) 17.575 27.008 ( -5.001 0.000 -6.201) 7.966 27.156 ( -11.320 0.000 14.302) 18.240 27.721 ( 3.284 0.000 1.883) 3.785 27.793 ( -3.800 0.000 0.453) 3.827 28.424 ( 15.907 0.000 -11.941) 19.890 28.733 ( 16.162 0.000 0.380) 16.167 28.746 ( -17.453 0.000 -17.590) 24.779 29.056 ( -16.197 0.000 -8.649) 18.362 29.870 ( 10.864 0.000 5.170) 12.031 30.114 ( -13.755 0.000 3.125) 14.106 30.378 ( 0.342 0.000 -10.088) 10.093 30.424 ( -4.089 0.000 -10.421) 11.195 30.928 ( 9.469 0.000 6.289) 11.368 31.109 ( -9.217 0.000 5.237) 10.601 31.424 ( 6.806 0.000 -7.420) 10.069 31.536 ( -4.462 0.000 -7.389) 8.632 32.577 ( 3.117 0.000 2.464) 3.973 32.669 ( -5.939 0.000 -1.077) 6.036 32.701 ( 2.643 0.000 2.542) 3.667 32.763 ( -3.524 0.000 0.371) 3.544 35.024 ( 3.625 0.000 0.528) 3.663 35.076 ( -1.906 0.000 -0.846) 2.085 35.289 ( 6.973 0.000 1.844) 7.212 35.390 ( -3.823 0.000 -1.469) 4.095 36.332 ( 24.718 0.000 1.404) 24.758 36.368 ( 26.551 0.000 4.903) 27.000 36.459 ( 21.625 0.000 -2.974) 21.828 36.570 ( 19.857 0.000 -1.868) 19.945 36.993 ( -16.212 0.000 6.141) 17.337 36.998 ( -16.136 0.000 4.820) 16.841 37.161 ( -23.031 0.000 -0.985) 23.052 37.213 ( -24.249 0.000 -1.009) 24.270 47.162 ( 2.520 0.000 10.921) 11.208 47.189 ( 3.459 0.000 12.695) 13.158 47.215 ( -2.879 0.000 11.358) 11.717 47.257 ( -3.499 0.000 12.609) 13.086 47.861 ( 1.825 0.000 -9.718) 9.888 47.892 ( -1.348 0.000 -9.131) 9.230 47.906 ( 3.217 0.000 -10.241) 10.735 47.969 ( -3.177 0.000 -9.788) 10.291 49.775 ( 1.275 0.000 1.159) 1.723 49.793 ( -0.404 0.000 0.694) 0.803 49.968 ( 1.456 0.000 0.189) 1.468 50.008 ( -2.465 0.000 -1.179) 2.733 73.381 ( 4.140 0.000 20.735) 21.144 73.463 ( -4.341 0.000 22.468) 22.883 73.854 ( 15.183 0.000 29.906) 33.540 74.214 ( -22.503 0.000 31.413) 38.641 74.659 ( 6.416 0.000 -21.727) 22.655 74.782 ( -6.179 0.000 -21.427) 22.300 75.782 ( 12.983 0.000 -26.102) 29.152 76.048 ( -14.106 0.000 -23.954) 27.799 76.682 ( 4.664 0.000 8.719) 9.888 76.771 ( -4.462 0.000 7.493) 8.720 77.358 ( 5.338 0.000 -2.072) 5.726 77.459 ( -5.011 0.000 -3.370) 6.039 78.253 ( 5.046 0.000 2.331) 5.559 78.365 ( -6.548 0.000 -0.080) 6.549 79.868 ( 10.601 0.000 -16.679) 19.763 80.015 ( -4.111 0.000 -22.465) 22.838 85.077 ( 0.713 0.000 7.444) 7.478 85.117 ( -3.418 0.000 6.829) 7.637 85.952 ( 3.194 0.000 -8.159) 8.762 85.991 ( -0.610 0.000 -8.917) 8.938 86.431 ( 6.396 0.000 2.659) 6.927 86.487 ( 1.574 0.000 1.326) 2.058 87.664 ( -0.978 0.000 10.669) 10.714 87.756 ( -9.520 0.000 7.945) 12.400 102.801 ( 1.946 0.000 0.159) 1.952 102.828 ( -0.660 0.000 -0.776) 1.018 102.902 ( 2.387 0.000 2.514) 3.467 102.948 ( -2.358 0.000 1.719) 2.918 102.966 ( 0.311 0.000 0.214) 0.377 102.980 ( -1.002 0.000 -0.311) 1.049 103.167 ( 2.048 0.000 -4.259) 4.726 103.204 ( -1.534 0.000 -6.362) 6.544 ======================= Grid point 112 (41/60) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 -1.126 21.394) 21.423 1.404 ( 0.000 5.560 14.465) 15.497 1.713 ( 0.000 -13.667 5.984) 14.920 1.776 ( 0.000 -5.957 1.651) 6.182 2.183 ( 0.000 1.833 -5.674) 5.963 2.241 ( 0.000 0.122 -5.997) 5.998 2.373 ( 0.000 10.936 -0.111) 10.937 2.410 ( 0.000 6.071 14.138) 15.387 2.721 ( 0.000 1.330 5.817) 5.967 2.803 ( 0.000 -1.197 5.511) 5.640 2.952 ( 0.000 -0.874 2.184) 2.352 2.996 ( 0.000 -2.474 -0.095) 2.475 3.286 ( 0.000 11.368 8.411) 14.141 3.595 ( 0.000 4.814 -3.076) 5.713 3.645 ( 0.000 2.264 6.134) 6.538 3.786 ( 0.000 -5.791 4.486) 7.326 3.897 ( 0.000 -10.067 1.502) 10.178 3.962 ( 0.000 -4.505 -6.808) 8.163 4.048 ( 0.000 3.049 -3.553) 4.682 4.054 ( 0.000 1.291 -6.062) 6.198 4.158 ( 0.000 -5.316 -6.339) 8.273 4.170 ( 0.000 4.389 -2.058) 4.848 4.383 ( 0.000 -9.068 -11.076) 14.315 4.394 ( 0.000 -1.429 -3.597) 3.871 4.587 ( 0.000 5.920 -4.543) 7.463 4.735 ( 0.000 -2.403 -5.261) 5.783 4.804 ( 0.000 3.739 -0.841) 3.832 4.934 ( 0.000 0.057 2.101) 2.101 4.995 ( 0.000 -3.906 0.433) 3.930 5.029 ( 0.000 7.606 -6.881) 10.257 5.179 ( 0.000 -2.922 2.670) 3.958 5.255 ( 0.000 2.379 7.180) 7.564 5.382 ( 0.000 2.970 3.648) 4.704 5.507 ( 0.000 -2.865 0.046) 2.865 5.578 ( 0.000 -1.944 -7.247) 7.503 5.642 ( 0.000 2.575 4.419) 5.114 5.707 ( 0.000 -8.618 -1.438) 8.737 5.865 ( 0.000 -5.414 2.170) 5.832 5.988 ( 0.000 -2.221 -2.578) 3.403 6.131 ( 0.000 -5.102 -7.241) 8.858 6.410 ( 0.000 10.636 -1.829) 10.792 6.497 ( 0.000 8.252 -2.876) 8.739 6.749 ( 0.000 0.551 2.474) 2.534 6.899 ( 0.000 -5.756 -2.978) 6.481 7.354 ( 0.000 2.079 4.853) 5.279 7.356 ( 0.000 9.682 5.898) 11.337 7.551 ( 0.000 9.188 4.524) 10.241 7.657 ( 0.000 -4.171 2.410) 4.817 7.757 ( 0.000 -0.091 1.241) 1.245 7.809 ( 0.000 3.808 -3.107) 4.915 7.910 ( 0.000 -1.179 6.856) 6.957 7.975 ( 0.000 -1.783 4.452) 4.796 8.333 ( 0.000 0.730 11.876) 11.898 8.644 ( 0.000 -7.107 -1.425) 7.248 8.852 ( 0.000 -8.740 -1.164) 8.817 9.091 ( 0.000 -14.336 -5.952) 15.523 9.624 ( 0.000 6.483 9.697) 11.664 9.995 ( 0.000 -9.081 -0.258) 9.085 10.025 ( 0.000 2.151 7.656) 7.952 10.154 ( 0.000 -1.726 2.793) 3.284 10.329 ( 0.000 -1.178 -4.021) 4.190 10.397 ( 0.000 -1.702 -2.045) 2.661 10.651 ( 0.000 -3.260 -5.891) 6.733 10.723 ( 0.000 -3.710 -7.641) 8.494 11.176 ( 0.000 12.453 -8.108) 14.860 11.188 ( 0.000 12.120 -5.196) 13.187 11.460 ( 0.000 -0.467 0.764) 0.895 11.491 ( 0.000 -1.463 1.703) 2.245 12.074 ( 0.000 4.815 5.545) 7.344 12.273 ( 0.000 -1.162 -0.955) 1.504 12.520 ( 0.000 0.730 -0.459) 0.862 12.583 ( 0.000 -0.500 -1.494) 1.575 19.647 ( 0.000 1.611 2.740) 3.178 19.760 ( 0.000 -2.536 4.010) 4.745 20.078 ( 0.000 2.064 -10.681) 10.879 20.203 ( 0.000 -2.378 -9.967) 10.247 21.792 ( 0.000 1.927 2.929) 3.507 21.849 ( 0.000 1.896 7.191) 7.437 21.864 ( 0.000 -0.471 1.348) 1.428 21.928 ( 0.000 -0.458 5.844) 5.861 22.127 ( 0.000 0.209 -1.589) 1.603 22.147 ( 0.000 -0.467 -0.507) 0.690 22.891 ( 0.000 3.854 0.666) 3.911 23.029 ( 0.000 -0.705 -4.690) 4.742 23.482 ( 0.000 4.523 3.422) 5.672 23.755 ( 0.000 -5.235 -5.773) 7.793 25.519 ( 0.000 -11.968 1.235) 12.032 25.553 ( 0.000 -9.667 -2.436) 9.969 26.247 ( 0.000 5.487 13.439) 14.516 26.606 ( 0.000 -9.152 10.078) 13.613 26.859 ( 0.000 14.169 13.152) 19.332 26.950 ( 0.000 7.506 -0.769) 7.545 27.394 ( 0.000 10.011 2.513) 10.322 27.506 ( 0.000 -8.317 -2.962) 8.829 27.656 ( 0.000 -0.964 17.899) 17.924 27.773 ( 0.000 2.028 2.797) 3.455 27.793 ( 0.000 2.596 -7.202) 7.656 28.248 ( 0.000 -12.183 7.839) 14.487 29.434 ( 0.000 -0.712 -18.550) 18.563 29.449 ( 0.000 -0.135 -21.962) 21.962 29.732 ( 0.000 10.570 -0.886) 10.607 30.220 ( 0.000 -8.908 -5.512) 10.475 30.606 ( 0.000 7.263 -3.772) 8.184 30.762 ( 0.000 3.149 3.808) 4.941 30.885 ( 0.000 -3.319 -2.442) 4.121 30.957 ( 0.000 -4.063 -6.127) 7.352 31.582 ( 0.000 -0.115 -2.161) 2.164 31.601 ( 0.000 -0.351 -1.041) 1.098 32.643 ( 0.000 0.159 8.102) 8.104 32.707 ( 0.000 -2.057 4.817) 5.238 32.916 ( 0.000 0.837 -2.644) 2.773 32.932 ( 0.000 -0.026 -2.530) 2.530 34.720 ( 0.000 -1.038 6.907) 6.984 34.751 ( 0.000 -1.858 5.496) 5.801 34.953 ( 0.000 -0.759 1.340) 1.540 35.037 ( 0.000 -2.880 -1.643) 3.316 35.267 ( 0.000 6.766 2.375) 7.171 35.463 ( 0.000 1.579 -7.046) 7.221 35.612 ( 0.000 -0.830 0.032) 0.831 35.708 ( 0.000 -1.842 -5.999) 6.275 37.723 ( 0.000 -0.481 7.491) 7.506 37.733 ( 0.000 -0.621 5.986) 6.018 37.941 ( 0.000 2.677 0.325) 2.697 38.008 ( 0.000 0.235 -0.634) 0.676 47.093 ( 0.000 1.742 12.453) 12.574 47.097 ( 0.000 1.042 9.907) 9.962 47.294 ( 0.000 -2.732 11.979) 12.287 47.309 ( 0.000 -4.560 10.681) 11.614 47.812 ( 0.000 1.397 -11.314) 11.400 47.838 ( 0.000 2.746 -11.222) 11.553 47.936 ( 0.000 1.941 -6.290) 6.582 48.068 ( 0.000 -1.048 -8.227) 8.294 49.737 ( 0.000 1.300 0.733) 1.492 49.781 ( 0.000 0.627 -0.851) 1.057 49.968 ( 0.000 -0.557 2.057) 2.131 50.057 ( 0.000 -2.636 -1.021) 2.826 73.253 ( 0.000 1.060 17.906) 17.938 73.382 ( 0.000 -4.023 21.525) 21.898 73.695 ( 0.000 6.475 24.568) 25.407 74.265 ( 0.000 -13.859 -3.435) 14.279 75.100 ( 0.000 8.297 -16.549) 18.513 75.176 ( 0.000 0.654 -31.590) 31.596 75.599 ( 0.000 -12.129 -4.915) 13.087 76.175 ( 0.000 -21.765 -15.574) 26.763 77.124 ( 0.000 23.621 -3.652) 23.902 77.189 ( 0.000 13.625 -4.551) 14.365 77.216 ( 0.000 9.029 7.755) 11.902 77.539 ( 0.000 -6.722 -0.542) 6.744 78.183 ( 0.000 4.977 9.574) 10.790 78.763 ( 0.000 0.512 7.409) 7.427 78.977 ( 0.000 -1.935 -13.436) 13.575 79.565 ( 0.000 -12.251 -13.576) 18.286 85.245 ( 0.000 7.124 0.635) 7.153 85.412 ( 0.000 4.345 -2.525) 5.025 85.645 ( 0.000 -8.193 -1.117) 8.269 85.737 ( 0.000 -7.569 -2.522) 7.978 86.247 ( 0.000 7.094 2.082) 7.393 86.259 ( 0.000 7.994 2.182) 8.286 88.047 ( 0.000 0.301 11.347) 11.351 88.230 ( 0.000 -6.800 2.979) 7.424 102.733 ( 0.000 1.175 1.328) 1.774 102.798 ( 0.000 -1.018 2.604) 2.796 102.871 ( 0.000 4.986 -2.679) 5.660 103.006 ( 0.000 0.945 0.422) 1.035 103.010 ( 0.000 -0.545 -0.691) 0.880 103.035 ( 0.000 -0.072 0.477) 0.482 103.109 ( 0.000 -0.476 -1.713) 1.778 103.150 ( 0.000 -1.777 -7.077) 7.297 ======================= Grid point 113 (42/60) ======================= q-point: ( 0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 0.558 3.140 16.618) 16.922 1.453 ( 6.466 2.320 16.753) 18.107 1.653 ( -2.385 -10.267 6.065) 12.160 1.865 ( 5.880 -8.449 0.834) 10.327 2.170 ( -1.312 1.755 -4.893) 5.361 2.222 ( -1.950 0.159 -4.815) 5.197 2.350 ( -1.825 10.109 0.767) 10.301 2.455 ( 3.111 3.991 10.252) 11.433 2.699 ( -2.143 1.189 6.983) 7.401 2.751 ( -5.670 -0.585 5.042) 7.609 2.876 ( -6.725 -1.517 4.631) 8.304 2.900 ( -9.493 -2.025 2.305) 9.976 3.331 ( 4.555 9.926 5.351) 12.162 3.563 ( -2.603 3.258 -3.090) 5.190 3.625 ( -1.454 0.450 5.796) 5.993 3.745 ( -4.899 -1.892 2.054) 5.639 3.861 ( -4.608 -3.897 -5.101) 7.902 3.946 ( -3.481 -6.540 -3.819) 8.335 3.967 ( 0.924 -3.139 -4.970) 5.951 4.091 ( -1.164 5.586 -3.733) 6.818 4.167 ( 0.480 -0.982 -4.825) 4.947 4.232 ( 2.631 0.249 -5.757) 6.334 4.329 ( -0.750 -4.631 -4.907) 6.789 4.411 ( 2.445 -1.402 -4.195) 5.054 4.627 ( 3.644 3.126 -4.193) 6.374 4.775 ( 2.003 -1.767 -1.790) 3.215 4.867 ( -0.338 1.933 -2.745) 3.374 4.906 ( 0.570 1.167 -4.560) 4.741 4.967 ( 3.156 0.510 1.705) 3.624 5.085 ( 2.003 1.911 -1.171) 3.006 5.190 ( 0.786 -1.727 3.706) 4.164 5.276 ( 2.008 -0.030 5.419) 5.779 5.383 ( 0.348 1.469 2.637) 3.038 5.546 ( 3.547 -1.618 -0.816) 3.983 5.591 ( 0.599 -2.184 -4.512) 5.049 5.655 ( 1.322 2.211 4.129) 4.866 5.699 ( 0.141 -5.749 -2.422) 6.240 5.896 ( 2.509 -6.599 1.909) 7.314 5.974 ( -1.308 -2.843 -3.167) 4.452 6.147 ( 1.508 -3.898 -5.173) 6.650 6.395 ( -1.313 8.503 -1.294) 8.701 6.463 ( -3.469 8.386 -1.856) 9.263 6.718 ( -2.825 1.410 2.657) 4.126 6.859 ( -3.901 -4.184 -2.568) 6.271 7.271 ( -3.239 5.965 6.176) 9.177 7.444 ( 3.730 2.983 3.351) 5.834 7.536 ( -1.615 6.729 1.889) 7.173 7.653 ( -0.497 -3.306 2.145) 3.972 7.728 ( -1.418 2.661 0.389) 3.040 7.839 ( 1.640 0.101 -0.615) 1.754 7.895 ( -1.324 -1.046 6.699) 6.909 7.949 ( -2.778 -2.566 4.352) 5.766 8.353 ( 2.411 2.801 9.865) 10.534 8.657 ( 1.107 -5.349 -1.881) 5.777 8.829 ( -2.211 -6.257 -0.556) 6.660 9.052 ( -3.819 -12.575 -5.937) 14.421 9.643 ( 2.017 6.088 9.704) 11.632 9.996 ( -0.459 -2.760 3.368) 4.379 10.016 ( -0.346 -3.135 4.770) 5.718 10.172 ( 1.722 -1.612 2.565) 3.485 10.335 ( 0.372 -0.542 -4.540) 4.588 10.387 ( -1.145 -1.594 -2.240) 2.978 10.617 ( -3.112 -6.090 -3.960) 7.903 10.685 ( -3.315 -5.517 -6.753) 9.329 11.174 ( 1.171 12.544 -6.104) 14.000 11.229 ( 2.739 11.458 -5.100) 12.837 11.457 ( 0.238 -0.343 1.233) 1.302 11.512 ( 1.434 -1.217 -0.019) 1.881 12.098 ( 2.334 5.206 5.248) 7.752 12.297 ( 2.405 -1.123 -1.139) 2.888 12.456 ( -4.329 2.535 2.286) 5.513 12.619 ( 1.405 -2.325 -4.146) 4.956 19.671 ( 2.513 1.626 2.162) 3.692 19.779 ( 2.058 -2.260 3.542) 4.678 20.062 ( -1.621 2.100 -9.947) 10.294 20.191 ( -1.431 -2.466 -9.358) 9.782 21.764 ( -1.844 1.700 4.168) 4.865 21.844 ( 2.178 -0.713 2.847) 3.654 21.949 ( 4.646 1.457 5.798) 7.572 22.002 ( 6.295 0.821 1.570) 6.540 22.110 ( -0.320 -0.079 -0.044) 0.333 22.130 ( -1.476 -0.657 -0.223) 1.631 22.869 ( -2.436 3.391 0.860) 4.263 22.984 ( -4.647 -0.423 -4.049) 6.178 23.574 ( 9.517 4.387 3.379) 11.011 23.854 ( 9.874 -5.464 -6.102) 12.829 25.396 ( -11.779 -9.257 2.054) 15.122 25.465 ( -9.532 -9.393 -2.768) 13.666 26.260 ( 1.511 5.521 13.447) 14.614 26.617 ( 1.454 -8.834 10.112) 13.506 26.795 ( -5.954 13.542 13.676) 20.146 26.961 ( 1.049 7.682 -0.667) 7.782 27.315 ( -6.496 5.278 1.615) 8.524 27.515 ( -0.564 -3.600 -2.942) 4.683 27.577 ( -6.496 -3.893 12.465) 14.585 27.786 ( 2.341 1.866 -4.494) 5.400 27.946 ( 11.663 2.433 1.654) 12.028 28.255 ( 2.086 -10.895 8.123) 13.749 29.372 ( -7.011 1.345 -20.589) 21.792 29.426 ( -3.032 -0.243 -21.305) 21.521 29.732 ( 0.929 9.691 3.411) 10.315 30.226 ( 0.255 -8.875 -6.045) 10.741 30.615 ( -3.179 2.901 -1.659) 4.612 30.712 ( -3.015 3.433 1.918) 4.956 30.781 ( -7.611 0.199 -1.314) 7.726 31.021 ( 6.348 -4.591 -7.701) 10.985 31.515 ( -6.018 1.221 0.210) 6.144 31.594 ( -1.101 -1.433 -3.176) 3.654 32.612 ( -2.689 0.337 7.383) 7.864 32.678 ( -2.280 -1.880 4.989) 5.798 32.886 ( -3.067 0.344 -2.462) 3.947 32.893 ( -3.482 0.187 -3.086) 4.657 34.803 ( 6.527 -0.935 5.752) 8.750 34.835 ( 10.289 -1.752 7.048) 12.594 35.091 ( 6.795 -0.086 -1.300) 6.919 35.198 ( 13.630 -1.856 -3.070) 14.094 35.394 ( 16.588 3.247 2.801) 17.133 35.545 ( 8.566 -0.842 -3.146) 9.164 35.650 ( 7.043 3.193 -1.345) 7.849 35.805 ( 9.796 -2.020 -5.324) 11.331 37.629 ( -9.644 -0.406 7.246) 12.070 37.639 ( -9.651 -0.489 6.154) 11.457 37.854 ( -9.136 2.322 -0.216) 9.429 37.913 ( -9.746 0.178 -0.767) 9.778 47.104 ( 0.864 1.069 10.432) 10.522 47.105 ( 1.137 1.398 12.063) 12.197 47.281 ( -1.231 -2.377 11.892) 12.189 47.300 ( -0.885 -4.172 10.860) 11.667 47.824 ( 1.282 1.238 -11.105) 11.248 47.845 ( 0.759 2.570 -11.048) 11.368 47.933 ( -0.374 1.759 -6.624) 6.864 48.055 ( -1.315 -0.968 -8.333) 8.492 49.747 ( 0.920 1.370 0.762) 1.818 49.788 ( 0.763 0.818 -0.706) 1.323 49.959 ( -0.892 -0.589 2.049) 2.311 50.048 ( -0.982 -2.713 -1.181) 3.117 73.273 ( 2.072 1.309 18.333) 18.497 73.421 ( 3.966 -4.489 22.204) 22.998 73.670 ( -2.548 6.226 24.405) 25.315 74.251 ( -1.906 -16.200 0.849) 16.334 75.055 ( -4.157 7.949 -16.573) 18.845 75.202 ( 1.049 4.491 -27.938) 28.316 75.502 ( -7.330 -6.343 -8.295) 12.758 76.134 ( -4.171 -21.231 -16.362) 27.127 76.975 ( -10.412 22.408 2.630) 24.849 77.086 ( -5.270 10.806 3.490) 12.519 77.306 ( 3.455 7.883 0.051) 8.607 77.512 ( -2.836 -7.158 -0.045) 7.700 78.220 ( 3.856 8.257 7.532) 11.823 78.776 ( -3.669 12.667 -2.598) 13.441 79.083 ( 13.019 -16.947 -7.810) 22.753 79.646 ( 6.537 -15.380 -16.458) 23.455 85.232 ( -1.114 8.038 1.343) 8.225 85.379 ( -3.068 6.084 -1.185) 6.916 85.670 ( 2.387 -9.005 -2.395) 9.619 85.762 ( 2.109 -8.783 -4.393) 10.044 86.314 ( 6.678 8.394 2.305) 10.971 86.346 ( 8.536 8.531 1.739) 12.193 87.958 ( -8.952 -0.462 11.252) 14.387 88.125 ( -10.132 -6.702 4.727) 13.035 102.745 ( 1.197 1.183 1.262) 2.103 102.810 ( 1.209 -1.016 2.531) 2.983 102.873 ( 0.187 4.567 -2.359) 5.143 102.996 ( -0.831 0.172 0.164) 0.864 103.009 ( -0.399 0.214 -0.221) 0.503 103.028 ( -0.568 0.605 0.180) 0.849 103.103 ( -0.058 -0.711 -1.783) 1.921 103.169 ( 1.212 -2.499 -7.243) 7.757 ======================= Grid point 114 (43/60) ======================= q-point: ( 0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 7.719 1.417 14.171) 16.199 1.619 ( 9.296 1.656 11.335) 14.753 1.670 ( 5.352 -7.458 6.383) 11.181 1.963 ( 3.162 -5.481 -0.611) 6.357 2.128 ( -3.264 1.121 -2.163) 4.073 2.168 ( -3.204 0.720 -1.980) 3.835 2.312 ( -2.314 7.306 0.964) 7.724 2.458 ( -4.582 0.019 3.746) 5.919 2.581 ( -11.234 1.227 3.811) 11.926 2.638 ( -5.258 0.210 6.786) 8.587 2.706 ( -6.587 -2.160 8.119) 10.675 2.742 ( -6.473 -2.873 7.900) 10.610 3.413 ( 1.949 4.594 -0.934) 5.077 3.553 ( 3.009 0.645 -3.083) 4.356 3.583 ( -3.707 -0.737 2.091) 4.319 3.674 ( -0.889 3.912 -0.783) 4.087 3.747 ( -5.169 -4.660 -4.409) 8.238 3.851 ( -3.939 2.756 -6.767) 8.300 4.022 ( -3.414 7.427 -3.237) 8.792 4.050 ( 2.981 -5.352 -3.001) 6.821 4.153 ( -1.978 -4.128 -5.408) 7.085 4.209 ( -2.932 6.449 -5.661) 9.068 4.415 ( 7.624 -1.585 -0.957) 7.845 4.502 ( 5.383 0.361 -0.667) 5.436 4.701 ( 0.010 -0.958 -4.819) 4.913 4.749 ( -1.035 -3.948 -1.645) 4.401 4.815 ( 0.193 0.590 -1.910) 2.009 4.966 ( -0.236 -3.132 -3.846) 4.966 5.026 ( 2.059 1.539 2.127) 3.336 5.142 ( 3.934 2.969 -0.506) 4.954 5.213 ( 1.789 2.029 3.296) 4.263 5.306 ( 1.885 -0.192 4.365) 4.759 5.404 ( 0.793 -3.495 0.492) 3.617 5.563 ( -1.323 -3.988 1.662) 4.518 5.639 ( 4.926 0.162 -1.401) 5.124 5.666 ( -1.400 1.219 0.193) 1.866 5.757 ( 5.406 -0.279 0.025) 5.414 5.929 ( 0.854 -9.480 1.258) 9.601 5.946 ( -1.999 -1.722 -2.787) 3.838 6.178 ( 1.121 -2.673 -3.336) 4.420 6.357 ( -2.469 5.252 1.067) 5.901 6.414 ( 0.186 7.695 -0.934) 7.753 6.647 ( -4.523 3.451 2.871) 6.373 6.761 ( -5.996 -0.480 -1.762) 6.268 7.247 ( 1.103 2.911 4.504) 5.475 7.482 ( -1.863 -3.069 1.529) 3.902 7.493 ( -0.602 3.091 -0.979) 3.298 7.625 ( -2.680 -0.948 -0.537) 2.893 7.728 ( 1.393 1.459 2.693) 3.365 7.844 ( -1.644 -0.780 2.810) 3.347 7.871 ( -0.983 -1.031 5.463) 5.646 7.898 ( -1.108 -0.687 2.512) 2.830 8.426 ( 4.767 5.181 6.414) 9.524 8.671 ( -0.284 -0.543 -2.357) 2.435 8.779 ( -2.181 -2.875 -0.234) 3.617 8.959 ( -5.467 -8.619 -5.714) 11.698 9.701 ( 3.921 5.270 9.585) 11.620 9.956 ( -3.258 4.150 7.982) 9.568 10.037 ( 2.157 -8.142 1.327) 8.526 10.206 ( 1.165 -1.969 2.354) 3.283 10.324 ( -2.141 1.813 -4.281) 5.118 10.356 ( -1.405 -1.414 -2.993) 3.596 10.565 ( -1.387 -12.368 -1.033) 12.488 10.625 ( -2.544 -9.868 -4.382) 11.093 11.218 ( 2.962 12.228 -4.342) 13.310 11.278 ( 2.056 11.079 -3.744) 11.874 11.473 ( 1.334 0.369 0.020) 1.384 11.532 ( 0.517 -0.792 -1.385) 1.678 12.155 ( 3.411 5.591 4.703) 8.063 12.352 ( 1.151 1.409 1.194) 2.176 12.385 ( -0.924 0.885 0.719) 1.468 12.614 ( -1.992 -3.384 -5.100) 6.437 19.739 ( 4.433 1.693 0.512) 4.773 19.841 ( 4.362 -1.914 1.905) 5.130 20.014 ( -3.385 2.110 -7.881) 8.833 20.142 ( -3.704 -2.420 -7.281) 8.520 21.755 ( 0.951 2.132 3.009) 3.808 21.887 ( 2.078 -2.856 2.152) 4.136 21.978 ( -3.426 1.574 -0.758) 3.846 22.071 ( -1.890 -1.726 -0.258) 2.573 22.129 ( 8.973 3.455 4.917) 10.799 22.245 ( 11.123 -0.330 2.062) 11.317 22.787 ( -6.450 2.501 1.576) 7.095 22.856 ( -8.226 0.297 -2.391) 8.572 23.838 ( 17.483 3.709 3.065) 18.133 24.112 ( 16.371 -5.864 -6.176) 18.454 25.093 ( -19.223 -4.846 2.484) 19.979 25.203 ( -16.855 -7.870 -2.884) 18.825 26.310 ( 3.578 5.928 13.232) 14.935 26.653 ( -5.950 8.469 13.118) 16.710 26.680 ( 2.951 -5.251 10.957) 12.503 26.989 ( 1.711 6.222 -0.972) 6.525 27.176 ( -7.474 1.437 3.294) 8.294 27.385 ( -9.604 4.754 5.324) 11.966 27.547 ( 1.374 -10.323 -0.566) 10.429 27.781 ( -3.495 -4.163 -2.790) 6.110 28.206 ( 14.915 3.967 -2.349) 15.612 28.390 ( 12.236 -5.784 4.107) 14.144 29.159 ( -14.391 5.275 -18.458) 23.992 29.306 ( -10.110 -0.865 -17.047) 19.838 29.790 ( 5.165 7.463 5.291) 10.506 30.228 ( 0.133 -7.428 -5.404) 9.187 30.440 ( -12.869 -0.709 1.232) 12.948 30.516 ( -10.693 -2.376 -3.855) 11.612 30.849 ( 8.126 7.391 0.455) 10.994 31.169 ( 7.863 -4.227 -7.653) 11.759 31.376 ( -7.575 2.553 1.763) 8.185 31.557 ( -2.800 -3.128 -5.165) 6.656 32.570 ( -0.882 0.907 5.619) 5.760 32.652 ( 0.091 -1.781 4.453) 4.797 32.795 ( -5.666 0.570 -2.778) 6.336 32.826 ( -3.724 -0.347 -1.779) 4.142 34.942 ( 6.859 0.983 3.417) 7.726 35.062 ( 11.028 -3.209 5.090) 12.563 35.132 ( -0.042 2.601 -1.550) 3.028 35.358 ( 1.208 -5.432 -3.965) 6.833 35.841 ( 27.051 1.178 2.774) 27.219 35.878 ( 24.146 0.935 2.458) 24.289 35.965 ( 25.150 3.116 -3.160) 25.538 36.101 ( 21.188 -1.561 -3.987) 21.616 37.361 ( -17.760 -0.185 6.677) 18.975 37.371 ( -17.779 -0.223 6.251) 18.847 37.589 ( -18.164 1.688 -1.044) 18.272 37.637 ( -18.717 0.017 -1.029) 18.745 47.127 ( 1.547 0.718 10.386) 10.525 47.138 ( 2.115 0.765 12.376) 12.579 47.249 ( -2.028 -1.524 11.620) 11.893 47.275 ( -1.772 -3.123 11.313) 11.870 47.859 ( 2.114 0.897 -10.486) 10.734 47.865 ( 1.315 2.063 -10.547) 10.827 47.922 ( -0.681 1.412 -7.490) 7.652 48.019 ( -2.334 -0.705 -8.664) 9.001 49.770 ( 1.463 1.649 0.902) 2.382 49.808 ( 1.199 1.414 -0.437) 1.905 49.940 ( -0.856 -1.134 1.701) 2.216 50.019 ( -1.999 -2.766 -1.260) 3.638 73.330 ( 3.772 2.016 19.499) 19.962 73.533 ( 7.611 -5.975 23.963) 25.842 73.603 ( -4.188 5.369 23.795) 24.750 74.160 ( -8.251 -19.358 13.892) 25.215 74.965 ( -3.878 13.444 -15.949) 21.217 75.141 ( -6.499 15.492 -18.704) 25.141 75.479 ( 5.538 -7.348 -23.348) 25.095 76.018 ( -7.759 -19.342 -19.160) 28.310 76.843 ( -3.173 16.063 6.852) 17.750 76.980 ( -5.384 10.537 4.871) 12.796 77.352 ( 1.474 1.655 -0.503) 2.273 77.449 ( -3.168 -7.107 -0.023) 7.781 78.315 ( 5.527 13.180 4.031) 14.849 78.660 ( -6.820 15.657 -3.974) 17.534 79.360 ( 13.663 -21.496 -8.856) 26.967 79.744 ( 2.417 -21.237 -18.515) 28.279 85.213 ( -0.590 9.839 2.348) 10.133 85.312 ( -3.586 8.812 0.894) 9.555 85.726 ( 3.050 -10.466 -5.032) 12.007 85.799 ( 1.360 -10.780 -6.798) 12.817 86.484 ( 10.416 11.998 3.041) 16.177 86.556 ( 12.045 11.132 1.249) 16.449 87.733 ( -12.920 -3.409 11.283) 17.489 87.882 ( -14.047 -7.788 6.642) 17.381 102.776 ( 2.021 1.220 1.022) 2.572 102.842 ( 1.979 -0.862 2.048) 2.976 102.874 ( -0.187 3.132 -1.220) 3.367 102.973 ( -1.623 -0.780 0.545) 1.881 102.996 ( -0.535 1.707 -0.040) 1.789 103.018 ( -0.504 1.578 -0.547) 1.745 103.113 ( 1.046 -1.506 -2.322) 2.959 103.181 ( -0.077 -3.213 -6.944) 7.651 ======================= Grid point 115 (44/60) ======================= q-point: ( 0.43 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 13.797 -2.483 11.221) 17.957 1.780 ( 9.196 -6.460 5.913) 12.698 1.851 ( 7.683 -0.789 3.725) 8.575 1.919 ( -7.856 -2.999 4.854) 9.709 2.040 ( -4.114 1.533 3.655) 5.712 2.132 ( -2.674 3.375 -1.233) 4.479 2.224 ( -6.021 5.891 -4.315) 9.465 2.269 ( -9.475 1.111 -0.847) 9.578 2.468 ( 1.093 -0.232 8.715) 8.787 2.539 ( -4.698 -1.192 7.402) 8.848 2.639 ( -1.647 -3.439 7.325) 8.258 2.653 ( -2.629 -3.699 8.090) 9.276 3.434 ( 1.788 1.482 -3.133) 3.900 3.496 ( -4.405 0.313 -3.080) 5.384 3.612 ( 1.969 -3.808 -3.756) 5.699 3.651 ( -2.406 -3.454 -4.639) 6.264 3.754 ( 4.313 5.900 -5.158) 8.946 3.812 ( -1.231 5.903 -5.065) 7.876 3.968 ( 0.961 11.381 -1.454) 11.513 4.067 ( -6.566 7.095 -3.126) 10.160 4.113 ( 3.041 -4.116 -2.766) 5.817 4.165 ( -2.130 -0.433 -2.762) 3.514 4.560 ( 5.199 5.353 -1.294) 7.573 4.592 ( 4.822 -6.574 0.902) 8.203 4.634 ( -2.037 1.033 -3.270) 3.988 4.729 ( -5.091 -7.595 0.620) 9.164 4.868 ( 4.394 -6.131 -3.330) 8.245 4.930 ( -2.386 -5.162 -2.306) 6.137 5.070 ( 3.003 4.420 1.056) 5.447 5.141 ( -3.588 4.326 -2.216) 6.041 5.273 ( 4.472 -0.503 0.384) 4.516 5.360 ( -4.259 -3.504 -1.757) 5.788 5.405 ( 7.431 2.057 4.990) 9.184 5.550 ( -5.489 1.258 5.834) 8.108 5.625 ( 2.908 -0.271 0.419) 2.950 5.698 ( -0.926 -2.477 2.463) 3.614 5.852 ( 2.311 -0.761 2.622) 3.577 5.884 ( -2.528 -0.777 -2.772) 3.832 5.990 ( 6.831 -7.378 -2.070) 10.265 6.136 ( -6.097 -6.658 -3.291) 9.609 6.376 ( 4.459 6.892 2.306) 8.526 6.443 ( 0.378 5.729 -0.227) 5.746 6.567 ( -1.530 4.314 2.326) 5.135 6.639 ( -6.345 2.687 -0.478) 6.906 7.308 ( 4.672 0.497 1.562) 4.951 7.404 ( -4.844 0.093 -0.526) 4.874 7.507 ( 1.445 -5.218 -0.470) 5.435 7.558 ( -3.654 -3.969 -1.359) 5.564 7.765 ( 2.117 1.538 3.711) 4.541 7.804 ( -1.977 1.002 4.094) 4.655 7.868 ( 0.767 0.590 3.220) 3.362 7.887 ( -0.784 0.133 2.495) 2.619 8.524 ( 5.235 5.804 3.511) 8.569 8.621 ( -4.492 4.484 0.794) 6.397 8.783 ( 2.473 -2.895 -3.433) 5.127 8.856 ( -4.855 -4.765 -5.071) 8.485 9.788 ( 4.890 4.802 9.147) 11.430 9.880 ( -4.494 4.624 8.561) 10.718 10.095 ( 3.868 -6.992 1.525) 8.135 10.178 ( -4.064 -4.955 1.601) 6.606 10.303 ( 0.865 1.688 -2.348) 3.018 10.330 ( -1.519 0.634 -2.706) 3.167 10.565 ( 0.898 -14.781 -1.036) 14.845 10.588 ( -1.440 -13.492 -2.233) 13.751 11.272 ( 2.353 11.775 -3.183) 12.423 11.298 ( -0.167 11.305 -2.944) 11.683 11.504 ( 1.649 0.683 -1.566) 2.375 11.529 ( -0.830 0.074 -2.003) 2.170 12.224 ( 3.675 5.339 4.452) 7.863 12.296 ( -3.740 4.850 4.485) 7.591 12.458 ( 4.946 -2.718 -3.389) 6.583 12.550 ( -4.335 -3.330 -4.462) 7.056 19.835 ( 5.268 1.832 -1.992) 5.922 19.933 ( -4.139 1.753 -4.738) 6.531 19.941 ( 5.056 -1.656 -1.067) 5.427 20.052 ( -5.481 -2.149 -4.123) 7.188 21.798 ( 3.329 2.319 0.997) 4.178 21.874 ( -4.118 1.988 -1.353) 4.769 21.954 ( 2.367 -3.269 2.719) 4.867 22.012 ( -3.328 -2.797 0.765) 4.414 22.356 ( 12.944 3.844 3.203) 13.877 22.467 ( 10.660 0.341 0.461) 10.675 22.612 ( -10.808 2.190 2.856) 11.392 22.684 ( -9.619 0.190 0.133) 9.622 24.227 ( 22.250 2.129 2.404) 22.480 24.457 ( 18.132 -5.714 -5.533) 19.800 24.683 ( -21.818 -1.323 2.740) 22.030 24.848 ( -19.455 -6.857 -3.416) 20.909 26.396 ( 5.358 7.071 13.140) 15.855 26.514 ( -6.871 8.965 13.423) 17.543 26.798 ( 7.719 -7.781 9.577) 14.555 26.955 ( -7.280 -5.294 5.762) 10.688 27.109 ( 2.830 7.936 0.960) 8.481 27.216 ( -7.487 7.761 1.734) 10.922 27.595 ( 3.648 -10.063 -1.080) 10.758 27.685 ( -5.419 -8.345 -1.083) 10.009 28.511 ( 16.469 5.847 -8.462) 19.417 28.680 ( 15.020 -1.743 -4.584) 15.800 28.858 ( -14.496 5.849 -11.416) 19.357 29.040 ( -16.611 -1.580 -9.265) 19.086 29.930 ( 9.413 5.251 4.022) 11.504 30.145 ( -11.940 2.705 2.127) 12.426 30.284 ( 1.548 -7.204 -5.372) 9.118 30.362 ( -5.889 -4.819 -6.438) 9.967 31.015 ( 8.777 6.820 1.850) 11.268 31.179 ( -7.707 5.573 1.398) 9.613 31.359 ( 6.572 -5.418 -6.122) 10.490 31.480 ( -5.308 -4.815 -6.417) 9.620 32.593 ( 3.249 1.387 2.578) 4.374 32.680 ( -1.527 -0.164 0.720) 1.696 32.685 ( -1.234 -0.267 1.064) 1.651 32.751 ( -3.942 -1.091 0.157) 4.094 35.048 ( 4.156 2.240 0.664) 4.767 35.107 ( -2.044 2.796 -1.000) 3.605 35.235 ( 6.493 -4.334 1.591) 7.967 35.328 ( -3.382 -4.999 -1.436) 6.204 36.353 ( 24.463 1.445 1.908) 24.580 36.374 ( 25.906 0.414 4.407) 26.282 36.482 ( 21.903 1.798 -2.678) 22.139 36.559 ( 20.258 -0.942 -1.950) 20.373 36.993 ( -15.658 0.132 5.671) 16.653 37.000 ( -16.310 0.077 5.162) 17.108 37.174 ( -23.576 1.085 -0.881) 23.618 37.212 ( -24.356 -0.172 -0.959) 24.375 47.163 ( 2.056 0.191 10.791) 10.986 47.182 ( 2.217 -0.365 12.085) 12.292 47.208 ( -1.945 -0.568 11.317) 11.497 47.234 ( -2.388 -1.723 11.815) 12.176 47.885 ( 1.127 1.562 -9.568) 9.759 47.903 ( 0.000 1.180 -8.831) 8.910 47.914 ( 1.928 0.478 -9.600) 9.804 47.968 ( -2.879 -0.257 -9.210) 9.653 49.800 ( 1.527 2.099 0.954) 2.765 49.820 ( -0.291 2.284 0.371) 2.332 49.939 ( 1.059 -2.344 0.382) 2.600 49.975 ( -2.368 -2.707 -0.837) 3.693 73.414 ( 4.819 3.075 21.087) 21.848 73.510 ( -5.025 4.300 22.673) 23.618 73.716 ( 11.023 -9.349 25.623) 29.418 73.948 ( -12.541 -15.016 24.191) 31.112 74.947 ( 1.997 17.512 -18.902) 25.845 75.022 ( -5.346 17.489 -19.422) 26.677 75.641 ( 10.160 -11.167 -25.523) 29.654 75.842 ( -10.210 -15.586 -22.970) 29.577 76.833 ( 1.554 11.707 7.282) 13.875 76.888 ( -3.984 10.192 6.436) 12.695 77.373 ( 1.034 -3.685 -0.645) 3.881 77.400 ( -1.900 -6.012 -0.521) 6.327 78.423 ( 5.652 16.283 0.880) 17.258 78.535 ( -6.121 16.855 -1.829) 18.025 79.586 ( 9.615 -23.174 -11.891) 27.764 79.723 ( -4.399 -23.769 -15.926) 28.947 85.216 ( 0.961 10.943 2.731) 11.320 85.250 ( -2.606 10.598 2.269) 11.147 85.779 ( 2.289 -11.670 -7.116) 13.859 85.807 ( -0.567 -11.894 -7.783) 14.225 86.681 ( 8.692 17.025 3.852) 19.499 86.738 ( 4.413 17.249 2.322) 17.956 87.544 ( -4.051 -10.025 9.877) 14.645 87.626 ( -11.007 -10.907 7.359) 17.154 102.818 ( 2.179 1.383 0.492) 2.627 102.854 ( -1.360 1.945 -0.558) 2.438 102.889 ( 2.300 -1.076 2.186) 3.350 102.934 ( -2.308 -1.089 1.374) 2.898 102.995 ( 0.404 2.578 -0.683) 2.697 103.007 ( -0.665 2.273 -0.857) 2.519 103.139 ( 1.544 -2.389 -3.707) 4.673 103.167 ( -1.233 -3.082 -5.484) 6.410 ======================= Grid point 119 (45/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.000 -6.050 15.610) 16.741 1.434 ( 0.000 6.050 15.610) 16.741 1.605 ( 0.000 -7.453 7.369) 10.481 1.605 ( 0.000 7.453 7.369) 10.481 2.225 ( 0.000 -1.519 -5.426) 5.634 2.225 ( 0.000 1.519 -5.426) 5.634 2.504 ( 0.000 -0.100 4.012) 4.013 2.504 ( 0.000 0.100 4.012) 4.013 2.765 ( 0.000 -2.147 7.029) 7.350 2.765 ( 0.000 2.147 7.029) 7.350 2.950 ( 0.000 -1.157 -0.043) 1.158 2.950 ( 0.000 1.157 -0.043) 1.158 3.577 ( 0.000 -13.151 5.100) 14.105 3.577 ( 0.000 13.151 5.100) 14.105 3.694 ( 0.000 -0.846 3.779) 3.872 3.694 ( 0.000 0.846 3.779) 3.872 3.787 ( 0.000 -6.075 -1.029) 6.162 3.787 ( 0.000 6.075 -1.029) 6.162 4.093 ( 0.000 -1.511 -6.835) 7.000 4.093 ( 0.000 1.511 -6.835) 7.000 4.167 ( 0.000 -7.264 -12.191) 14.191 4.167 ( 0.000 7.264 -12.191) 14.191 4.305 ( 0.000 -5.310 -1.481) 5.513 4.305 ( 0.000 5.310 -1.481) 5.513 4.682 ( 0.000 -2.574 -3.230) 4.130 4.682 ( 0.000 2.574 -3.230) 4.130 4.908 ( 0.000 -2.096 3.029) 3.684 4.908 ( 0.000 2.096 3.029) 3.684 4.994 ( 0.000 -6.134 -0.220) 6.137 4.994 ( 0.000 6.134 -0.220) 6.137 5.299 ( 0.000 -2.633 1.730) 3.150 5.299 ( 0.000 2.633 1.730) 3.150 5.403 ( 0.000 -7.660 1.046) 7.731 5.403 ( 0.000 7.660 1.046) 7.731 5.548 ( 0.000 -4.342 -4.813) 6.482 5.548 ( 0.000 4.342 -4.813) 6.482 5.732 ( 0.000 -5.322 2.524) 5.890 5.732 ( 0.000 5.322 2.524) 5.890 6.033 ( 0.000 -3.875 -5.503) 6.731 6.033 ( 0.000 3.875 -5.503) 6.731 6.619 ( 0.000 -5.070 -0.207) 5.075 6.619 ( 0.000 5.070 -0.207) 5.075 6.747 ( 0.000 -6.080 -3.416) 6.974 6.747 ( 0.000 6.080 -3.416) 6.974 7.433 ( 0.000 -3.390 8.931) 9.552 7.433 ( 0.000 3.390 8.931) 9.552 7.646 ( 0.000 -3.256 5.096) 6.048 7.646 ( 0.000 3.256 5.096) 6.048 7.812 ( 0.000 -5.808 3.360) 6.710 7.812 ( 0.000 5.808 3.360) 6.710 7.914 ( 0.000 -1.635 1.511) 2.227 7.914 ( 0.000 1.635 1.511) 2.227 8.463 ( 0.000 -9.281 0.537) 9.297 8.463 ( 0.000 9.281 0.537) 9.297 8.794 ( 0.000 -6.547 -3.690) 7.516 8.794 ( 0.000 6.547 -3.690) 7.516 9.791 ( 0.000 -8.374 5.840) 10.210 9.791 ( 0.000 8.374 5.840) 10.210 10.092 ( 0.000 -3.379 5.806) 6.718 10.092 ( 0.000 3.379 5.806) 6.718 10.343 ( 0.000 -2.274 -2.174) 3.146 10.343 ( 0.000 2.274 -2.174) 3.146 10.656 ( 0.000 -2.256 -7.845) 8.163 10.656 ( 0.000 2.256 -7.845) 8.163 11.379 ( 0.000 -1.459 -4.290) 4.531 11.379 ( 0.000 1.459 -4.290) 4.531 11.413 ( 0.000 -2.508 -2.509) 3.548 11.413 ( 0.000 2.508 -2.509) 3.548 12.200 ( 0.000 -5.245 1.765) 5.534 12.200 ( 0.000 5.245 1.765) 5.534 12.555 ( 0.000 -1.906 0.136) 1.911 12.555 ( 0.000 1.906 0.136) 1.911 19.697 ( 0.000 -2.751 3.457) 4.418 19.697 ( 0.000 2.751 3.457) 4.418 20.138 ( 0.000 -3.091 -10.362) 10.813 20.138 ( 0.000 3.091 -10.362) 10.813 21.836 ( 0.000 -1.821 3.521) 3.964 21.836 ( 0.000 1.821 3.521) 3.964 21.900 ( 0.000 -2.137 5.346) 5.757 21.900 ( 0.000 2.137 5.346) 5.757 22.135 ( 0.000 -0.535 -0.999) 1.134 22.135 ( 0.000 0.535 -0.999) 1.134 22.984 ( 0.000 -3.537 -2.127) 4.128 22.984 ( 0.000 3.537 -2.127) 4.128 23.612 ( 0.000 -6.685 -1.127) 6.779 23.612 ( 0.000 6.685 -1.127) 6.779 25.395 ( 0.000 -1.905 -0.130) 1.909 25.395 ( 0.000 1.905 -0.130) 1.909 26.406 ( 0.000 -8.338 12.585) 15.097 26.406 ( 0.000 8.338 12.585) 15.097 27.074 ( 0.000 -0.651 1.789) 1.904 27.074 ( 0.000 0.651 1.789) 1.904 27.391 ( 0.000 -1.492 11.120) 11.220 27.391 ( 0.000 1.492 11.120) 11.220 27.807 ( 0.000 -1.340 -5.136) 5.308 27.807 ( 0.000 1.340 -5.136) 5.308 27.907 ( 0.000 -16.408 6.845) 17.779 27.907 ( 0.000 16.408 6.845) 17.779 29.439 ( 0.000 -0.701 -17.809) 17.823 29.439 ( 0.000 0.701 -17.809) 17.823 29.989 ( 0.000 -11.456 -2.503) 11.727 29.989 ( 0.000 11.456 -2.503) 11.727 30.770 ( 0.000 -6.725 -6.246) 9.178 30.770 ( 0.000 6.725 -6.246) 9.178 30.853 ( 0.000 -4.679 1.237) 4.840 30.853 ( 0.000 4.679 1.237) 4.840 31.589 ( 0.000 -0.613 -2.321) 2.400 31.589 ( 0.000 0.613 -2.321) 2.400 32.661 ( 0.000 -1.615 6.755) 6.945 32.661 ( 0.000 1.615 6.755) 6.945 32.929 ( 0.000 -0.301 -2.656) 2.672 32.929 ( 0.000 0.301 -2.656) 2.672 34.716 ( 0.000 -0.845 5.960) 6.020 34.716 ( 0.000 0.845 5.960) 6.020 34.971 ( 0.000 -2.337 -0.394) 2.370 34.971 ( 0.000 2.337 -0.394) 2.370 35.415 ( 0.000 -5.482 -0.596) 5.514 35.415 ( 0.000 5.482 -0.596) 5.514 35.647 ( 0.000 -3.195 -4.276) 5.338 35.647 ( 0.000 3.195 -4.276) 5.338 37.721 ( 0.000 -0.315 6.547) 6.555 37.721 ( 0.000 0.315 6.547) 6.555 37.994 ( 0.000 -1.618 -0.281) 1.642 37.994 ( 0.000 1.618 -0.281) 1.642 47.121 ( 0.000 -0.248 10.827) 10.829 47.121 ( 0.000 0.248 10.827) 10.829 47.245 ( 0.000 -0.171 11.036) 11.037 47.245 ( 0.000 0.171 11.036) 11.037 47.845 ( 0.000 -1.206 -11.471) 11.534 47.845 ( 0.000 1.206 -11.471) 11.534 48.015 ( 0.000 -3.642 -6.313) 7.288 48.015 ( 0.000 3.642 -6.313) 7.288 49.772 ( 0.000 -1.414 0.059) 1.415 49.772 ( 0.000 1.414 0.059) 1.415 49.991 ( 0.000 -2.614 0.531) 2.667 49.991 ( 0.000 2.614 0.531) 2.667 73.297 ( 0.000 -3.015 19.034) 19.272 73.297 ( 0.000 3.015 19.034) 19.272 73.923 ( 0.000 -13.772 18.526) 23.085 73.923 ( 0.000 13.772 18.526) 23.085 75.194 ( 0.000 -0.347 -22.434) 22.437 75.194 ( 0.000 0.347 -22.434) 22.437 75.702 ( 0.000 -17.772 -17.845) 25.185 75.702 ( 0.000 17.772 -17.845) 25.185 77.323 ( 0.000 -5.168 5.287) 7.393 77.323 ( 0.000 5.168 5.287) 7.393 77.439 ( 0.000 -0.446 -5.860) 5.877 77.439 ( 0.000 0.446 -5.860) 5.877 78.466 ( 0.000 -18.283 6.061) 19.262 78.466 ( 0.000 18.283 6.061) 19.262 79.225 ( 0.000 -16.323 -13.375) 21.103 79.225 ( 0.000 16.323 -13.375) 21.103 85.426 ( 0.000 -7.569 0.283) 7.575 85.426 ( 0.000 7.569 0.283) 7.575 85.573 ( 0.000 -5.917 -4.592) 7.490 85.573 ( 0.000 5.917 -4.592) 7.490 86.351 ( 0.000 -0.751 3.649) 3.726 86.351 ( 0.000 0.751 3.649) 3.726 88.092 ( 0.000 -4.279 8.117) 9.176 88.092 ( 0.000 4.279 8.117) 9.176 102.766 ( 0.000 -1.617 2.195) 2.726 102.766 ( 0.000 1.617 2.195) 2.726 102.972 ( 0.000 -3.126 -2.765) 4.174 102.972 ( 0.000 3.126 -2.765) 4.174 103.030 ( 0.000 -0.798 0.078) 0.802 103.030 ( 0.000 0.798 0.078) 0.802 103.109 ( 0.000 -1.060 -4.169) 4.302 103.109 ( 0.000 1.060 -4.169) 4.302 ======================= Grid point 121 (46/60) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 1.515 -5.443 15.262) 16.275 1.454 ( 1.515 5.443 15.262) 16.275 1.640 ( 4.637 -10.467 6.988) 13.412 1.640 ( 4.637 10.467 6.988) 13.412 2.209 ( -1.621 -1.337 -4.406) 4.881 2.209 ( -1.621 1.337 -4.406) 4.881 2.494 ( -1.452 -1.970 2.139) 3.250 2.494 ( -1.452 1.970 2.139) 3.250 2.735 ( -3.070 -1.360 7.555) 8.267 2.735 ( -3.070 1.360 7.555) 8.267 2.862 ( -8.565 -0.785 2.085) 8.850 2.862 ( -8.565 0.785 2.085) 8.850 3.560 ( -2.487 -7.720 3.021) 8.655 3.560 ( -2.487 7.720 3.021) 8.655 3.679 ( -1.232 -7.047 -0.735) 7.191 3.679 ( -1.232 7.047 -0.735) 7.191 3.774 ( 0.292 -4.414 -0.910) 4.516 3.774 ( 0.292 4.414 -0.910) 4.516 4.060 ( -3.401 -5.796 -8.465) 10.809 4.060 ( -3.401 5.796 -8.465) 10.809 4.218 ( 4.345 -2.224 -4.961) 6.959 4.218 ( 4.345 2.224 -4.961) 6.959 4.305 ( 1.224 -5.347 -3.837) 6.694 4.305 ( 1.224 5.347 -3.837) 6.694 4.726 ( 2.784 -3.358 -1.263) 4.541 4.726 ( 2.784 3.358 -1.263) 4.541 4.909 ( -0.752 -1.799 -0.827) 2.118 4.909 ( -0.752 1.799 -0.827) 2.118 5.012 ( 2.525 -5.687 1.895) 6.505 5.012 ( 2.525 5.687 1.895) 6.505 5.289 ( -0.050 -3.581 1.834) 4.024 5.289 ( -0.050 3.581 1.834) 4.024 5.405 ( -0.510 -5.705 1.603) 5.948 5.405 ( -0.510 5.705 1.603) 5.948 5.594 ( 4.565 -3.544 -4.385) 7.255 5.594 ( 4.565 3.544 -4.385) 7.255 5.743 ( 0.832 -5.601 2.539) 6.206 5.743 ( 0.832 5.601 2.539) 6.206 6.035 ( 0.370 -5.417 -5.426) 7.676 6.035 ( 0.370 5.417 -5.426) 7.676 6.572 ( -4.229 -3.821 1.015) 5.789 6.572 ( -4.229 3.821 1.015) 5.789 6.738 ( -1.009 -4.713 -2.740) 5.544 6.738 ( -1.009 4.713 -2.740) 5.544 7.400 ( -2.989 -5.579 7.302) 9.663 7.400 ( -2.989 5.579 7.302) 9.663 7.658 ( 0.093 -1.800 3.270) 3.734 7.658 ( 0.093 1.800 3.270) 3.734 7.783 ( -1.916 -4.272 3.336) 5.749 7.783 ( -1.916 4.272 3.336) 5.749 7.894 ( -1.502 -1.050 1.910) 2.647 7.894 ( -1.502 1.050 1.910) 2.647 8.509 ( 4.158 -8.927 0.566) 9.865 8.509 ( 4.158 8.927 0.566) 9.865 8.791 ( -0.511 -5.661 -3.306) 6.576 8.791 ( -0.511 5.661 -3.306) 6.576 9.806 ( 1.558 -8.310 5.997) 10.365 9.806 ( 1.558 8.310 5.997) 10.365 10.096 ( 0.257 -4.548 5.744) 7.331 10.096 ( 0.257 4.548 5.744) 7.331 10.342 ( -0.111 -1.778 -2.316) 2.921 10.342 ( -0.111 1.778 -2.316) 2.921 10.595 ( -5.741 -2.407 -6.756) 9.187 10.595 ( -5.741 2.407 -6.756) 9.187 11.391 ( 1.281 -5.333 -3.689) 6.610 11.391 ( 1.281 5.333 -3.689) 6.610 11.428 ( 1.371 -5.586 -2.376) 6.223 11.428 ( 1.371 5.586 -2.376) 6.223 12.227 ( 2.531 -5.085 1.426) 5.856 12.227 ( 2.531 5.085 1.426) 5.856 12.542 ( -1.418 -4.314 -0.124) 4.542 12.542 ( -1.418 4.314 -0.124) 4.542 19.721 ( 2.451 -2.632 2.870) 4.601 19.721 ( 2.451 2.632 2.870) 4.601 20.124 ( -1.539 -3.162 -9.663) 10.284 20.124 ( -1.539 3.162 -9.663) 10.284 21.809 ( -0.848 -2.062 4.190) 4.746 21.809 ( -0.848 2.062 4.190) 4.746 21.994 ( 7.121 -1.694 3.249) 8.008 21.994 ( 7.121 1.694 3.249) 8.008 22.114 ( -1.600 -0.588 -0.119) 1.708 22.114 ( -1.600 0.588 -0.119) 1.708 22.948 ( -3.660 -2.931 -1.635) 4.966 22.948 ( -3.660 2.931 -1.635) 4.966 23.706 ( 9.445 -6.877 -1.207) 11.745 23.706 ( 9.445 6.877 -1.207) 11.745 25.307 ( -8.997 -2.454 -0.374) 9.333 25.307 ( -8.997 2.454 -0.374) 9.333 26.421 ( 1.713 -8.350 12.522) 15.148 26.421 ( 1.713 8.350 12.522) 15.148 27.049 ( -3.183 -5.186 4.729) 7.707 27.049 ( -3.183 5.186 4.729) 7.707 27.332 ( -4.407 -5.733 7.031) 10.086 27.332 ( -4.407 5.733 7.031) 10.086 27.753 ( -5.592 -7.940 -2.620) 10.058 27.753 ( -5.592 7.940 -2.620) 10.058 28.017 ( 10.727 -6.632 3.805) 13.173 28.017 ( 10.727 6.632 3.805) 13.173 29.406 ( -3.928 -1.438 -18.206) 18.680 29.406 ( -3.928 1.438 -18.206) 18.680 29.987 ( 0.063 -11.820 -0.883) 11.853 29.987 ( 0.063 11.820 -0.883) 11.853 30.687 ( -9.420 -3.174 -1.288) 10.024 30.687 ( -9.420 3.174 -1.288) 10.024 30.889 ( 5.102 -6.620 -3.832) 9.195 30.889 ( 5.102 6.620 -3.832) 9.195 31.553 ( -3.425 -1.977 -2.270) 4.560 31.553 ( -3.425 1.977 -2.270) 4.560 32.634 ( -2.270 -1.666 6.473) 7.058 32.634 ( -2.270 1.666 6.473) 7.058 32.893 ( -3.407 -0.194 -2.805) 4.418 32.893 ( -3.407 0.194 -2.805) 4.418 34.801 ( 8.510 -0.899 6.232) 10.586 34.801 ( 8.510 0.899 6.232) 10.586 35.127 ( 10.792 -3.120 -2.650) 11.543 35.127 ( 10.792 3.120 -2.650) 11.543 35.488 ( 10.429 -3.981 1.229) 11.230 35.488 ( 10.429 3.981 1.229) 11.230 35.738 ( 9.769 -3.875 -4.125) 11.290 35.738 ( 9.769 3.875 -4.125) 11.290 37.628 ( -9.528 -0.321 6.512) 11.545 37.628 ( -9.528 0.321 6.512) 11.545 37.901 ( -9.681 -1.465 -0.519) 9.805 37.901 ( -9.681 1.465 -0.519) 9.805 47.128 ( 0.706 -0.318 10.905) 10.933 47.128 ( 0.706 0.318 10.905) 10.933 47.240 ( -0.520 -0.022 11.043) 11.055 47.240 ( -0.520 0.022 11.043) 11.055 47.853 ( 0.865 -1.040 -11.224) 11.306 47.853 ( 0.865 1.040 -11.224) 11.306 48.006 ( -0.937 -3.401 -6.573) 7.460 48.006 ( -0.937 3.401 -6.573) 7.460 49.782 ( 1.068 -1.394 0.104) 1.759 49.782 ( 1.068 1.394 0.104) 1.759 49.981 ( -1.072 -2.624 0.452) 2.870 49.981 ( -1.072 2.624 0.452) 2.870 73.325 ( 2.871 -3.438 19.538) 20.045 73.325 ( 2.871 3.438 19.538) 20.045 73.892 ( -3.295 -13.605 19.845) 24.285 73.892 ( -3.295 13.605 19.845) 24.285 75.204 ( 1.201 -4.430 -22.922) 23.377 75.204 ( 1.201 4.430 -22.922) 23.377 75.663 ( -3.861 -18.403 -18.344) 26.270 75.663 ( -3.861 18.403 -18.344) 26.270 77.261 ( -5.583 -8.699 5.055) 11.507 77.261 ( -5.583 8.699 5.055) 11.507 77.380 ( -4.900 -7.597 -2.520) 9.385 77.380 ( -4.900 7.597 -2.520) 9.385 78.578 ( 9.916 -21.898 2.999) 24.225 78.578 ( 9.916 21.898 2.999) 24.225 79.212 ( -1.374 -20.986 -12.188) 24.307 79.212 ( -1.374 20.986 -12.188) 24.307 85.438 ( 1.129 -8.754 -0.716) 8.856 85.438 ( 1.129 8.754 -0.716) 8.856 85.568 ( -0.535 -7.469 -4.683) 8.832 85.568 ( -0.535 7.469 -4.683) 8.832 86.440 ( 9.026 -1.239 3.643) 9.812 86.440 ( 9.026 1.239 3.643) 9.812 87.989 ( -10.279 -4.002 8.332) 13.824 87.989 ( -10.279 4.002 8.332) 13.824 102.778 ( 1.212 -1.620 2.112) 2.925 102.778 ( 1.212 1.620 2.112) 2.925 102.965 ( -0.813 -2.756 -1.954) 3.475 102.965 ( -0.813 2.756 -1.954) 3.475 103.034 ( 0.440 -0.849 -0.597) 1.127 103.034 ( 0.440 0.849 -0.597) 1.127 103.107 ( -0.290 -1.985 -4.013) 4.487 103.107 ( -0.290 1.985 -4.013) 4.487 ======================= Grid point 123 (47/60) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 5.106 -4.099 13.841) 15.311 1.507 ( 5.106 4.099 13.841) 15.311 1.780 ( 8.512 -9.175 5.089) 13.511 1.780 ( 8.512 9.175 5.089) 13.511 2.160 ( -3.446 -1.271 -0.903) 3.783 2.160 ( -3.446 1.271 -0.903) 3.783 2.429 ( -5.793 -2.822 0.461) 6.461 2.429 ( -5.793 2.822 0.461) 6.461 2.644 ( -7.401 -3.263 4.355) 9.187 2.644 ( -7.401 3.263 4.355) 9.187 2.673 ( -7.885 -3.096 6.089) 10.432 2.673 ( -7.885 3.096 6.089) 10.432 3.511 ( -1.705 -3.954 -0.882) 4.395 3.511 ( -1.705 3.954 -0.882) 4.395 3.619 ( -4.177 -4.023 -3.580) 6.816 3.619 ( -4.177 4.023 -3.580) 6.816 3.839 ( 5.078 -8.688 -2.251) 10.312 3.839 ( 5.078 8.688 -2.251) 10.312 4.009 ( -1.521 -6.568 -6.082) 9.080 4.009 ( -1.521 6.568 -6.082) 9.080 4.243 ( 0.204 -8.303 -1.860) 8.511 4.243 ( 0.204 8.303 -1.860) 8.511 4.408 ( 7.051 -5.200 -4.660) 9.924 4.408 ( 7.051 5.200 -4.660) 9.924 4.723 ( -3.644 -1.530 -0.839) 4.040 4.723 ( -3.644 1.530 -0.839) 4.040 4.870 ( -2.657 -4.560 -2.416) 5.804 4.870 ( -2.657 4.560 -2.416) 5.804 5.091 ( 5.117 -4.515 2.764) 7.363 5.091 ( 5.117 4.515 2.764) 7.363 5.313 ( 0.317 -3.182 -0.080) 3.198 5.313 ( 0.317 3.182 -0.080) 3.198 5.397 ( 2.164 -6.872 4.746) 8.627 5.397 ( 2.164 6.872 4.746) 8.627 5.665 ( 0.444 -1.166 0.080) 1.250 5.665 ( 0.444 1.166 0.080) 1.250 5.777 ( 4.017 -3.326 -0.709) 5.263 5.777 ( 4.017 3.326 -0.709) 5.263 6.038 ( -0.907 -7.448 -4.659) 8.832 6.038 ( -0.907 7.448 -4.659) 8.832 6.498 ( -2.212 -3.117 2.679) 4.668 6.498 ( -2.212 3.117 2.679) 4.668 6.701 ( -2.987 -3.412 -1.003) 4.644 6.701 ( -2.987 3.412 -1.003) 4.644 7.346 ( -1.722 -6.032 3.458) 7.163 7.346 ( -1.722 6.032 3.458) 7.163 7.597 ( -5.934 -3.483 -1.085) 6.966 7.597 ( -5.934 3.483 -1.085) 6.966 7.788 ( 1.948 -3.225 4.689) 6.015 7.788 ( 1.948 3.225 4.689) 6.015 7.871 ( -0.785 -1.241 2.626) 3.009 7.871 ( -0.785 1.241 2.626) 3.009 8.598 ( 4.678 -7.774 0.175) 9.075 8.598 ( 4.678 7.774 0.175) 9.075 8.771 ( -1.513 -4.349 -2.603) 5.289 8.771 ( -1.513 4.349 -2.603) 5.289 9.851 ( 3.216 -7.877 6.217) 10.538 9.851 ( 3.216 7.877 6.217) 10.538 10.090 ( -1.410 -7.235 5.547) 9.225 10.090 ( -1.410 7.235 5.547) 9.225 10.339 ( -0.098 -0.725 -2.592) 2.693 10.339 ( -0.098 0.725 -2.592) 2.693 10.471 ( -6.107 -3.163 -4.025) 7.969 10.471 ( -6.107 3.163 -4.025) 7.969 11.426 ( 2.192 -5.668 -2.937) 6.750 11.426 ( 2.192 5.668 -2.937) 6.750 11.458 ( 1.467 -5.517 -2.303) 6.156 11.458 ( 1.467 5.517 -2.303) 6.156 12.288 ( 3.586 -5.110 0.817) 6.296 12.288 ( 3.586 5.110 0.817) 6.296 12.500 ( -2.834 -6.290 -0.479) 6.915 12.500 ( -2.834 6.290 -0.479) 6.915 19.789 ( 4.504 -2.506 1.163) 5.284 19.789 ( 4.504 2.506 1.163) 5.284 20.076 ( -3.493 -3.147 -7.592) 8.929 20.076 ( -3.493 3.147 -7.592) 8.929 21.817 ( 1.574 -3.162 3.258) 4.805 21.817 ( 1.574 3.162 3.258) 4.805 22.023 ( -3.665 -2.288 -1.328) 4.520 22.023 ( -3.665 2.288 -1.328) 4.520 22.208 ( 10.904 -2.990 3.946) 11.975 22.208 ( 10.904 2.990 3.946) 11.975 22.842 ( -7.387 -1.800 -0.327) 7.610 22.842 ( -7.387 1.800 -0.327) 7.610 23.960 ( 16.435 -6.782 -1.325) 17.829 23.960 ( 16.435 6.782 -1.325) 17.829 25.061 ( -16.118 -3.024 -0.832) 16.420 25.061 ( -16.118 3.024 -0.832) 16.420 26.480 ( 4.530 -8.680 12.450) 15.838 26.480 ( 4.530 8.680 12.450) 15.838 26.931 ( -8.622 -10.912 10.831) 17.628 26.931 ( -8.622 10.912 10.831) 17.628 27.287 ( 0.349 -10.622 -0.255) 10.631 27.287 ( 0.349 10.622 -0.255) 10.631 27.611 ( -8.409 -10.743 -2.124) 13.807 27.611 ( -8.409 10.743 -2.124) 13.807 28.285 ( 16.355 -3.550 0.016) 16.736 28.285 ( 16.355 3.550 0.016) 16.736 29.261 ( -11.500 -3.326 -16.138) 20.093 29.261 ( -11.500 3.326 -16.138) 20.093 30.008 ( 2.504 -10.903 0.834) 11.218 30.008 ( 2.504 10.903 0.834) 11.218 30.461 ( -12.459 -2.103 -0.716) 12.656 30.461 ( -12.459 2.103 -0.716) 12.656 31.026 ( 8.343 -7.746 -4.449) 12.223 31.026 ( 8.343 7.746 -4.449) 12.223 31.465 ( -5.622 -4.653 -2.555) 7.732 31.465 ( -5.622 4.653 -2.555) 7.732 32.605 ( -0.115 -2.100 5.221) 5.629 32.605 ( -0.115 2.100 5.221) 5.629 32.812 ( -4.759 -0.852 -2.256) 5.335 32.812 ( -4.759 0.852 -2.256) 5.335 34.987 ( 9.172 -2.975 4.290) 10.554 34.987 ( 9.172 2.975 4.290) 10.554 35.226 ( 0.611 -5.546 -2.961) 6.317 35.226 ( 0.611 5.546 -2.961) 6.317 35.873 ( 26.019 -1.195 2.444) 26.161 35.873 ( 26.019 1.195 2.444) 26.161 36.045 ( 22.370 -3.334 -3.237) 22.848 36.045 ( 22.370 3.334 -3.237) 22.848 37.363 ( -17.570 -0.329 6.314) 18.673 37.363 ( -17.570 0.329 6.314) 18.673 37.625 ( -18.718 -1.183 -0.956) 18.780 37.625 ( -18.718 1.183 -0.956) 18.780 47.147 ( 1.239 -0.479 11.058) 11.137 47.147 ( 1.239 0.479 11.058) 11.137 47.225 ( -1.017 -0.319 11.080) 11.131 47.225 ( -1.017 0.319 11.080) 11.131 47.877 ( 1.518 -0.528 -10.522) 10.644 47.877 ( 1.518 0.528 -10.522) 10.644 47.981 ( -1.605 -2.715 -7.300) 7.952 47.981 ( -1.605 2.715 -7.300) 7.952 49.812 ( 1.987 -1.516 0.175) 2.505 49.812 ( 1.987 1.516 0.175) 2.505 49.951 ( -1.996 -2.547 0.309) 3.251 49.951 ( -1.996 2.547 0.309) 3.251 73.405 ( 5.318 -4.722 20.857) 22.036 73.405 ( 5.318 4.722 20.857) 22.036 73.799 ( -6.131 -12.339 22.219) 26.144 73.799 ( -6.131 12.339 22.219) 26.144 75.246 ( 3.241 -10.119 -23.574) 25.858 75.246 ( 3.241 10.119 -23.574) 25.858 75.565 ( -5.994 -19.194 -19.710) 28.157 75.565 ( -5.994 19.194 -19.710) 28.157 77.161 ( -3.755 -12.706 5.251) 14.251 77.161 ( -3.755 12.706 5.251) 14.251 77.278 ( -5.452 -12.233 0.679) 13.410 77.278 ( -5.452 12.233 0.679) 13.410 78.784 ( 10.423 -26.526 -0.992) 28.518 78.784 ( 10.423 26.526 -0.992) 28.518 79.169 ( -3.137 -27.042 -9.475) 28.825 79.169 ( -3.137 27.042 -9.475) 28.825 85.464 ( 1.570 -10.838 -2.524) 11.238 85.464 ( 1.570 10.838 -2.524) 11.238 85.553 ( -1.087 -10.188 -4.799) 11.314 85.553 ( -1.087 10.188 -4.799) 11.314 86.679 ( 15.218 -2.518 4.022) 15.941 86.679 ( 15.218 2.518 4.022) 15.941 87.721 ( -16.802 -4.098 8.268) 19.170 87.721 ( -16.802 4.098 8.268) 19.170 102.810 ( 2.083 -1.630 1.831) 3.217 102.810 ( 2.083 1.630 1.831) 3.217 102.940 ( -1.708 -2.182 -0.554) 2.826 102.940 ( -1.708 2.182 -0.554) 2.826 103.047 ( 0.884 -1.147 -1.683) 2.220 103.047 ( 0.884 1.147 -1.683) 2.220 103.098 ( -0.586 -2.640 -3.606) 4.508 103.098 ( -0.586 2.640 -3.606) 4.508 ======================= Grid point 125 (48/60) ======================= q-point: ( 0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 11.045 -2.120 11.150) 15.837 1.668 ( 11.045 2.120 11.150) 15.837 1.857 ( -4.622 -1.727 5.738) 7.568 1.857 ( -4.622 1.727 5.738) 7.568 2.131 ( 3.732 -4.292 1.458) 5.872 2.131 ( 3.732 4.292 1.458) 5.872 2.273 ( -9.028 -1.007 -1.431) 9.196 2.273 ( -9.028 1.007 -1.431) 9.196 2.536 ( -1.763 -3.347 3.151) 4.923 2.536 ( -1.763 3.347 3.151) 4.923 2.566 ( -4.212 -1.370 6.838) 8.147 2.566 ( -4.212 1.370 6.838) 8.147 3.505 ( 1.034 -4.564 -2.824) 5.466 3.505 ( 1.034 4.564 -2.824) 5.466 3.546 ( -3.102 -4.063 -3.757) 6.344 3.546 ( -3.102 4.063 -3.757) 6.344 3.928 ( 3.817 -6.059 -4.178) 8.290 3.928 ( 3.817 6.059 -4.178) 8.290 3.984 ( -1.880 -5.060 -4.576) 7.076 3.984 ( -1.880 5.060 -4.576) 7.076 4.298 ( 6.250 -10.438 -1.798) 12.298 4.298 ( 6.250 10.438 -1.798) 12.298 4.443 ( -5.840 -9.589 -2.272) 11.455 4.443 ( -5.840 9.589 -2.272) 11.455 4.694 ( 4.156 -3.633 -2.961) 6.265 4.694 ( 4.156 3.633 -2.961) 6.265 4.802 ( -4.969 -3.787 -1.449) 6.414 4.802 ( -4.969 3.787 -1.449) 6.414 5.188 ( 4.564 -4.757 1.547) 6.772 5.188 ( 4.564 4.757 1.547) 6.772 5.267 ( -3.689 -4.441 -0.781) 5.826 5.267 ( -3.689 4.441 -0.781) 5.826 5.503 ( 6.831 -6.049 7.345) 11.713 5.503 ( 6.831 6.049 7.345) 11.713 5.618 ( -4.538 -3.379 4.215) 7.056 5.618 ( -4.538 3.379 4.215) 7.056 5.875 ( 5.482 -2.710 -3.507) 7.049 5.875 ( 5.482 2.710 -3.507) 7.049 5.980 ( -4.864 -6.734 -3.602) 9.054 5.980 ( -4.864 6.734 -3.602) 9.054 6.518 ( 4.078 -3.340 2.415) 5.798 6.518 ( 4.078 3.340 2.415) 5.798 6.619 ( -5.384 -3.305 1.014) 6.399 6.619 ( -5.384 3.305 1.014) 6.399 7.362 ( 3.539 -4.219 -0.460) 5.526 7.362 ( 3.539 4.219 -0.460) 5.526 7.468 ( -6.805 -3.227 -2.116) 7.823 7.468 ( -6.805 3.227 -2.116) 7.823 7.828 ( 1.964 -2.725 4.200) 5.378 7.828 ( 1.964 2.725 4.200) 5.378 7.857 ( -0.987 -2.057 3.502) 4.180 7.857 ( -0.987 2.057 3.502) 4.180 8.678 ( 3.484 -5.978 -0.800) 6.966 8.678 ( 3.484 5.978 -0.800) 6.966 8.734 ( -2.388 -4.447 -1.832) 5.370 8.734 ( -2.388 4.447 -1.832) 5.370 9.930 ( 4.870 -7.208 5.958) 10.544 9.930 ( 4.870 7.208 5.958) 10.544 10.028 ( -4.788 -7.694 5.425) 10.562 10.028 ( -4.788 7.694 5.425) 10.562 10.347 ( 1.103 -1.702 -2.220) 3.007 10.347 ( 1.103 1.702 -2.220) 3.007 10.385 ( -2.938 -2.741 -2.078) 4.524 10.385 ( -2.938 2.741 -2.078) 4.524 11.464 ( 1.451 -4.792 -2.570) 5.628 11.464 ( 1.451 4.792 -2.570) 5.628 11.476 ( 0.239 -4.562 -2.401) 5.161 11.476 ( 0.239 4.562 -2.401) 5.161 12.361 ( 3.930 -5.779 0.150) 6.991 12.361 ( 3.930 5.779 0.150) 6.991 12.436 ( -3.762 -6.519 -0.390) 7.537 12.436 ( -3.762 6.519 -0.390) 7.537 19.887 ( 5.513 -2.615 -1.456) 6.273 19.887 ( 5.513 2.615 -1.456) 6.273 19.992 ( -5.101 -2.902 -4.590) 7.451 19.992 ( -5.101 2.902 -4.590) 7.451 21.866 ( 3.386 -3.445 1.506) 5.059 21.866 ( 3.386 3.445 1.506) 5.059 21.942 ( -4.343 -3.048 -0.182) 5.309 21.942 ( -4.343 3.048 -0.182) 5.309 22.439 ( 12.395 -2.883 2.786) 13.028 22.439 ( 12.395 2.883 2.786) 13.028 22.666 ( -10.769 -1.968 1.309) 11.025 22.666 ( -10.769 1.968 1.309) 11.025 24.317 ( 20.058 -5.780 -1.320) 20.916 24.317 ( 20.058 5.780 -1.320) 20.916 24.708 ( -19.956 -4.171 -1.167) 20.420 24.708 ( -19.956 4.171 -1.167) 20.420 26.594 ( 7.206 -9.690 12.593) 17.447 26.594 ( 7.206 9.690 12.593) 17.447 26.753 ( -9.174 -11.029 12.584) 19.083 26.753 ( -9.174 11.029 12.584) 19.083 27.337 ( 4.521 -11.373 -2.564) 12.504 27.337 ( 4.521 11.373 -2.564) 12.504 27.454 ( -7.461 -11.245 -2.577) 13.739 27.454 ( -7.461 11.245 -2.577) 13.739 28.625 ( 18.492 -3.749 -4.872) 19.487 28.625 ( 18.492 3.749 -4.872) 19.487 28.976 ( -17.338 -4.215 -10.589) 20.749 28.976 ( -17.338 4.215 -10.589) 20.749 30.090 ( 6.135 -8.333 0.247) 10.351 30.090 ( 6.135 8.333 0.247) 10.351 30.243 ( -9.765 -5.006 -0.682) 10.994 30.243 ( -9.765 5.006 -0.682) 10.994 31.190 ( 8.341 -7.806 -3.733) 12.018 31.190 ( 8.341 7.806 -3.733) 12.018 31.341 ( -7.235 -6.841 -3.061) 10.417 31.341 ( -7.235 6.841 -3.061) 10.417 32.636 ( 3.244 -2.279 2.632) 4.758 32.636 ( 3.244 2.279 2.632) 4.758 32.717 ( -4.845 -1.741 -0.271) 5.155 32.717 ( -4.845 1.741 -0.271) 5.155 35.126 ( 5.398 -4.567 1.085) 7.153 35.126 ( 5.398 4.567 1.085) 7.153 35.202 ( -2.637 -5.413 -1.288) 6.158 35.202 ( -2.637 5.413 -1.288) 6.158 36.377 ( 24.845 -0.422 3.190) 25.052 36.377 ( 24.845 0.422 3.190) 25.052 36.527 ( 21.331 -1.898 -2.247) 21.533 36.527 ( 21.331 1.898 -2.247) 21.533 36.998 ( -15.805 -0.222 5.366) 16.692 36.998 ( -15.805 0.222 5.366) 16.692 37.200 ( -24.274 -0.946 -0.852) 24.307 37.200 ( -24.274 0.946 -0.852) 24.307 47.174 ( 1.476 -0.608 11.148) 11.262 47.174 ( 1.476 0.608 11.148) 11.262 47.202 ( -1.380 -0.569 11.138) 11.238 47.202 ( -1.380 0.569 11.138) 11.238 47.910 ( 1.875 -0.618 -9.493) 9.697 47.910 ( 1.875 0.618 -9.493) 9.697 47.947 ( -1.913 -1.701 -8.344) 8.728 47.947 ( -1.913 1.701 -8.344) 8.728 49.856 ( 2.536 -1.873 0.207) 3.160 49.856 ( 2.536 1.873 0.207) 3.160 49.906 ( -2.542 -2.275 0.228) 3.419 49.906 ( -2.542 2.275 0.228) 3.419 73.525 ( 6.979 -6.877 22.406) 24.455 73.525 ( 6.979 6.877 22.406) 24.455 73.666 ( -7.422 -9.705 23.198) 26.219 73.666 ( -7.422 9.705 23.198) 26.219 75.329 ( 5.327 -15.215 -23.145) 28.206 75.329 ( 5.327 15.215 -23.145) 28.206 75.444 ( -6.348 -18.330 -21.576) 29.014 75.444 ( -6.348 18.330 -21.576) 29.014 77.133 ( 0.780 -13.782 4.441) 14.501 77.133 ( 0.780 13.782 4.441) 14.501 77.183 ( -4.108 -13.615 2.724) 14.480 77.183 ( -4.108 13.615 2.724) 14.480 78.961 ( 7.919 -29.013 -3.885) 30.325 78.961 ( 7.919 29.013 -3.885) 30.325 79.088 ( -5.331 -29.486 -6.561) 30.674 79.088 ( -5.331 29.486 -6.561) 30.674 85.496 ( 1.673 -12.153 -3.897) 12.872 85.496 ( 1.673 12.153 -3.897) 12.872 85.527 ( -1.520 -11.983 -4.621) 12.932 85.527 ( -1.520 11.983 -4.621) 12.932 87.006 ( 18.339 -3.860 5.355) 19.491 87.006 ( 18.339 3.860 5.355) 19.491 87.370 ( -19.065 -4.411 7.136) 20.830 87.370 ( -19.065 4.411 7.136) 20.830 102.855 ( 2.443 -1.676 1.306) 3.238 102.855 ( 2.443 1.676 1.306) 3.238 102.901 ( -2.295 -1.833 0.526) 2.984 102.901 ( -2.295 1.833 0.526) 2.984 103.066 ( 1.010 -1.718 -2.451) 3.159 103.066 ( 1.010 1.718 -2.451) 3.159 103.084 ( -0.862 -2.399 -3.064) 3.985 103.084 ( -0.862 2.399 -3.064) 3.985 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.000 0.000 11.784) 11.784 1.778 ( 0.000 0.000 15.997) 15.997 1.781 ( 0.000 0.000 -6.178) 6.178 1.921 ( 0.000 0.000 -1.146) 1.146 2.038 ( 0.000 0.000 -5.222) 5.222 2.090 ( 0.000 0.000 -9.578) 9.578 2.304 ( 0.000 0.000 10.319) 10.319 2.454 ( 0.000 0.000 -3.827) 3.827 2.836 ( 0.000 0.000 6.382) 6.382 2.869 ( 0.000 0.000 1.281) 1.281 3.037 ( 0.000 0.000 0.501) 0.501 3.039 ( 0.000 0.000 2.166) 2.166 3.359 ( 0.000 0.000 10.449) 10.449 3.469 ( 0.000 0.000 -3.047) 3.047 3.688 ( 0.000 0.000 3.671) 3.671 3.836 ( 0.000 0.000 -10.140) 10.140 3.926 ( 0.000 0.000 2.185) 2.185 3.996 ( 0.000 0.000 -4.251) 4.251 4.046 ( 0.000 0.000 0.213) 0.213 4.047 ( 0.000 0.000 6.279) 6.279 4.059 ( 0.000 0.000 1.502) 1.502 4.186 ( 0.000 0.000 -4.723) 4.723 4.314 ( 0.000 0.000 -7.391) 7.391 4.325 ( 0.000 0.000 -6.820) 6.820 4.440 ( 0.000 0.000 6.983) 6.983 4.606 ( 0.000 0.000 -10.237) 10.237 4.757 ( 0.000 0.000 0.220) 0.220 4.786 ( 0.000 0.000 -3.063) 3.063 4.998 ( 0.000 0.000 3.182) 3.182 5.044 ( 0.000 0.000 -1.492) 1.492 5.312 ( 0.000 0.000 5.997) 5.997 5.358 ( 0.000 0.000 4.618) 4.618 5.379 ( 0.000 0.000 1.978) 1.978 5.443 ( 0.000 0.000 -7.483) 7.483 5.612 ( 0.000 0.000 2.655) 2.655 5.666 ( 0.000 0.000 -1.965) 1.965 5.791 ( 0.000 0.000 7.310) 7.310 5.996 ( 0.000 0.000 4.314) 4.314 5.997 ( 0.000 0.000 -12.671) 12.671 6.084 ( 0.000 0.000 -5.020) 5.020 6.245 ( 0.000 0.000 5.245) 5.245 6.339 ( 0.000 0.000 -4.265) 4.265 6.804 ( 0.000 0.000 4.876) 4.876 6.894 ( 0.000 0.000 -4.732) 4.732 7.287 ( 0.000 0.000 4.450) 4.450 7.355 ( 0.000 0.000 -2.426) 2.426 7.512 ( 0.000 0.000 7.165) 7.165 7.653 ( 0.000 0.000 -7.339) 7.339 7.722 ( 0.000 0.000 1.251) 1.251 7.741 ( 0.000 0.000 -0.820) 0.820 8.054 ( 0.000 0.000 3.372) 3.372 8.062 ( 0.000 0.000 2.171) 2.171 8.607 ( 0.000 0.000 10.605) 10.605 8.723 ( 0.000 0.000 -2.510) 2.510 9.027 ( 0.000 0.000 3.937) 3.937 9.143 ( 0.000 0.000 -7.234) 7.234 9.758 ( 0.000 0.000 11.726) 11.726 9.965 ( 0.000 0.000 -9.972) 9.972 10.163 ( 0.000 0.000 9.224) 9.224 10.219 ( 0.000 0.000 2.358) 2.358 10.264 ( 0.000 0.000 -2.967) 2.967 10.329 ( 0.000 0.000 -7.435) 7.435 10.745 ( 0.000 0.000 -0.487) 0.487 10.769 ( 0.000 0.000 -2.303) 2.303 10.798 ( 0.000 0.000 -3.046) 3.046 10.818 ( 0.000 0.000 -4.876) 4.876 11.522 ( 0.000 0.000 2.951) 2.951 11.551 ( 0.000 0.000 0.259) 0.259 12.124 ( 0.000 0.000 5.323) 5.323 12.218 ( 0.000 0.000 -4.447) 4.447 12.516 ( 0.000 0.000 1.143) 1.143 12.545 ( 0.000 0.000 -1.896) 1.896 19.710 ( 0.000 0.000 6.256) 6.256 19.860 ( 0.000 0.000 -9.344) 9.344 19.897 ( 0.000 0.000 6.943) 6.943 20.050 ( 0.000 0.000 -9.128) 9.128 21.810 ( 0.000 0.000 2.112) 2.112 21.844 ( 0.000 0.000 -1.475) 1.475 21.966 ( 0.000 0.000 6.483) 6.483 22.056 ( 0.000 0.000 5.287) 5.287 22.067 ( 0.000 0.000 -4.186) 4.186 22.129 ( 0.000 0.000 -2.449) 2.449 22.881 ( 0.000 0.000 2.579) 2.579 22.943 ( 0.000 0.000 -4.092) 4.092 23.541 ( 0.000 0.000 6.636) 6.636 23.675 ( 0.000 0.000 -7.458) 7.458 25.670 ( 0.000 0.000 0.230) 0.230 25.692 ( 0.000 0.000 -1.905) 1.905 26.437 ( 0.000 0.000 12.795) 12.795 26.643 ( 0.000 0.000 -8.872) 8.872 26.921 ( 0.000 0.000 12.962) 12.962 27.116 ( 0.000 0.000 -7.512) 7.512 27.142 ( 0.000 0.000 17.382) 17.382 27.454 ( 0.000 0.000 -15.307) 15.307 27.641 ( 0.000 0.000 -0.031) 0.031 27.662 ( 0.000 0.000 -2.166) 2.166 28.301 ( 0.000 0.000 30.355) 30.355 28.643 ( 0.000 0.000 16.139) 16.139 28.884 ( 0.000 0.000 -31.120) 31.120 29.004 ( 0.000 0.000 -21.797) 21.797 29.778 ( 0.000 0.000 12.649) 12.649 30.051 ( 0.000 0.000 -15.868) 15.868 30.639 ( 0.000 0.000 8.962) 8.962 30.810 ( 0.000 0.000 4.529) 4.529 30.821 ( 0.000 0.000 -10.077) 10.077 30.882 ( 0.000 0.000 -2.953) 2.953 31.579 ( 0.000 0.000 0.564) 0.564 31.594 ( 0.000 0.000 -0.840) 0.840 32.779 ( 0.000 0.000 5.927) 5.927 32.799 ( 0.000 0.000 3.132) 3.132 32.854 ( 0.000 0.000 -2.731) 2.731 32.871 ( 0.000 0.000 -3.969) 3.969 34.878 ( 0.000 0.000 6.754) 6.754 34.892 ( 0.000 0.000 6.531) 6.531 34.974 ( 0.000 0.000 -2.878) 2.878 35.007 ( 0.000 0.000 -5.110) 5.110 35.225 ( 0.000 0.000 3.084) 3.084 35.299 ( 0.000 0.000 -5.199) 5.199 35.625 ( 0.000 0.000 -0.158) 0.158 35.642 ( 0.000 0.000 -2.481) 2.481 37.837 ( 0.000 0.000 4.079) 4.079 37.873 ( 0.000 0.000 6.335) 6.335 37.892 ( 0.000 0.000 -1.686) 1.686 37.965 ( 0.000 0.000 -3.353) 3.353 47.299 ( 0.000 0.000 12.401) 12.401 47.319 ( 0.000 0.000 13.248) 13.248 47.544 ( 0.000 0.000 -13.209) 13.209 47.557 ( 0.000 0.000 11.658) 11.658 47.566 ( 0.000 0.000 -12.709) 12.709 47.628 ( 0.000 0.000 13.485) 13.485 47.760 ( 0.000 0.000 -9.658) 9.658 47.873 ( 0.000 0.000 -12.142) 12.142 49.739 ( 0.000 0.000 0.880) 0.880 49.754 ( 0.000 0.000 -0.795) 0.795 50.019 ( 0.000 0.000 2.013) 2.013 50.057 ( 0.000 0.000 -1.916) 1.916 73.605 ( 0.000 0.000 20.521) 20.521 73.934 ( 0.000 0.000 28.959) 28.959 74.008 ( 0.000 0.000 -21.907) 21.907 74.112 ( 0.000 0.000 25.527) 25.527 74.524 ( 0.000 0.000 -33.170) 33.170 74.577 ( 0.000 0.000 -23.504) 23.504 76.132 ( 0.000 0.000 7.392) 7.392 76.301 ( 0.000 0.000 -10.462) 10.462 76.663 ( 0.000 0.000 7.625) 7.625 76.801 ( 0.000 0.000 -7.050) 7.050 77.355 ( 0.000 0.000 10.119) 10.119 77.522 ( 0.000 0.000 -7.332) 7.332 78.338 ( 0.000 0.000 11.022) 11.022 78.554 ( 0.000 0.000 -11.105) 11.105 79.178 ( 0.000 0.000 11.963) 11.963 79.439 ( 0.000 0.000 -14.732) 14.732 85.205 ( 0.000 0.000 3.756) 3.756 85.287 ( 0.000 0.000 -4.543) 4.543 85.806 ( 0.000 0.000 2.083) 2.083 85.843 ( 0.000 0.000 -1.463) 1.463 86.122 ( 0.000 0.000 0.107) 0.107 86.123 ( 0.000 0.000 0.137) 0.137 88.221 ( 0.000 0.000 6.160) 6.160 88.297 ( 0.000 0.000 -2.320) 2.320 102.739 ( 0.000 0.000 1.207) 1.207 102.764 ( 0.000 0.000 -1.448) 1.448 102.905 ( 0.000 0.000 5.200) 5.200 103.003 ( 0.000 0.000 0.355) 0.355 103.008 ( 0.000 0.000 -0.239) 0.239 103.010 ( 0.000 0.000 -5.099) 5.099 103.077 ( 0.000 0.000 -0.618) 0.618 103.090 ( 0.000 0.000 -1.203) 1.203 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -0.715 0.000 11.213) 11.235 1.752 ( -1.784 0.000 -5.703) 5.975 1.798 ( 2.106 0.000 14.739) 14.888 1.938 ( 1.631 0.000 -0.628) 1.747 2.035 ( -0.397 0.000 -5.105) 5.120 2.087 ( -0.317 0.000 -8.552) 8.558 2.325 ( 1.480 0.000 9.272) 9.389 2.470 ( 0.728 0.000 -4.754) 4.810 2.813 ( -4.875 0.000 3.011) 5.730 2.819 ( -3.673 0.000 3.291) 4.931 2.982 ( -4.463 0.000 3.278) 5.537 2.999 ( -3.675 0.000 2.974) 4.727 3.367 ( 0.515 0.000 7.300) 7.318 3.460 ( -0.480 0.000 -3.329) 3.363 3.699 ( 1.252 0.000 5.121) 5.272 3.816 ( -3.181 0.000 -1.436) 3.490 3.890 ( -10.667 0.000 5.718) 12.103 3.895 ( -1.963 0.000 -4.253) 4.684 3.941 ( -4.982 0.000 -5.065) 7.104 4.015 ( -9.660 0.000 -7.475) 12.214 4.075 ( 0.819 0.000 1.730) 1.914 4.140 ( -0.331 0.000 -4.607) 4.619 4.341 ( 6.310 0.000 1.252) 6.433 4.434 ( 9.165 0.000 -8.456) 12.470 4.444 ( 0.527 0.000 6.197) 6.220 4.600 ( -0.762 0.000 -10.100) 10.129 4.853 ( 4.750 0.000 0.732) 4.806 4.870 ( 8.573 0.000 -1.292) 8.669 5.000 ( 0.127 0.000 2.380) 2.383 5.030 ( -1.267 0.000 -0.895) 1.551 5.314 ( -0.126 0.000 6.326) 6.327 5.371 ( 1.134 0.000 2.729) 2.956 5.389 ( 1.783 0.000 0.591) 1.878 5.444 ( -0.295 0.000 -7.179) 7.185 5.616 ( 1.042 0.000 2.740) 2.932 5.676 ( 1.300 0.000 -2.979) 3.250 5.813 ( 1.607 0.000 8.868) 9.012 6.000 ( -0.676 0.000 -9.503) 9.527 6.032 ( 3.850 0.000 3.655) 5.308 6.110 ( 2.889 0.000 -4.588) 5.421 6.244 ( 0.079 0.000 2.498) 2.499 6.304 ( -3.235 0.000 -3.114) 4.490 6.759 ( -4.496 0.000 4.318) 6.234 6.836 ( -5.621 0.000 -3.941) 6.865 7.287 ( 0.560 0.000 5.568) 5.596 7.376 ( 1.793 0.000 -3.568) 3.993 7.529 ( 1.518 0.000 5.628) 5.829 7.630 ( -1.454 0.000 -4.508) 4.736 7.734 ( 1.159 0.000 1.677) 2.038 7.772 ( 2.176 0.000 -2.605) 3.394 8.036 ( -1.701 0.000 3.610) 3.991 8.051 ( -1.828 0.000 1.883) 2.625 8.561 ( -3.727 0.000 9.859) 10.540 8.691 ( -3.231 0.000 -4.022) 5.159 8.975 ( -4.964 0.000 4.063) 6.415 9.081 ( -5.902 0.000 -6.662) 8.900 9.782 ( 2.451 0.000 11.435) 11.694 9.980 ( 1.578 0.000 -9.101) 9.236 10.145 ( -1.794 0.000 8.955) 9.133 10.227 ( 0.815 0.000 2.145) 2.294 10.265 ( 0.180 0.000 -2.341) 2.348 10.311 ( -1.798 0.000 -7.628) 7.837 10.767 ( 2.267 0.000 0.065) 2.268 10.797 ( 2.596 0.000 -2.478) 3.589 10.821 ( 2.338 0.000 -2.069) 3.122 10.851 ( 2.902 0.000 -4.886) 5.683 11.513 ( -0.857 0.000 2.751) 2.882 11.544 ( -0.720 0.000 -0.260) 0.765 12.145 ( 2.091 0.000 5.462) 5.848 12.240 ( 2.317 0.000 -4.531) 5.089 12.486 ( -2.334 0.000 3.401) 4.125 12.555 ( 0.087 0.000 -3.962) 3.963 19.723 ( 1.235 0.000 5.557) 5.692 19.858 ( -0.192 0.000 -8.593) 8.596 19.905 ( 0.868 0.000 6.518) 6.576 20.049 ( -0.186 0.000 -8.613) 8.615 21.806 ( -1.168 0.000 2.787) 3.022 21.847 ( 1.317 0.000 -1.377) 1.905 22.036 ( 5.764 0.000 3.337) 6.661 22.052 ( -0.348 0.000 4.816) 4.828 22.090 ( 3.615 0.000 -2.035) 4.149 22.118 ( -1.081 0.000 -2.157) 2.413 22.859 ( -2.324 0.000 2.025) 3.082 22.908 ( -3.639 0.000 -3.297) 4.911 23.636 ( 9.698 0.000 6.640) 11.753 23.771 ( 9.757 0.000 -7.608) 12.373 25.559 ( -11.773 0.000 0.049) 11.773 25.567 ( -12.082 0.000 -0.880) 12.114 26.449 ( 1.300 0.000 12.657) 12.724 26.653 ( 1.105 0.000 -8.799) 8.868 26.875 ( -4.352 0.000 12.627) 13.355 27.071 ( -4.256 0.000 -7.977) 9.041 27.133 ( -0.285 0.000 17.229) 17.231 27.439 ( -1.348 0.000 -14.375) 14.438 27.660 ( 2.062 0.000 1.479) 2.537 27.708 ( 3.720 0.000 -3.518) 5.120 28.287 ( -1.503 0.000 26.951) 26.993 28.646 ( 0.582 0.000 16.090) 16.101 28.820 ( -6.553 0.000 -28.843) 29.578 29.000 ( -0.575 0.000 -21.083) 21.091 29.801 ( 2.327 0.000 12.028) 12.251 30.060 ( 0.965 0.000 -15.026) 15.057 30.708 ( -9.795 0.000 3.295) 10.335 30.709 ( 6.860 0.000 8.634) 11.027 30.761 ( -11.652 0.000 -2.206) 11.859 30.888 ( 6.551 0.000 -10.050) 11.997 31.534 ( -4.534 0.000 1.698) 4.841 31.567 ( -2.597 0.000 -1.836) 3.181 32.733 ( -4.117 0.000 5.524) 6.889 32.774 ( -2.061 0.000 3.441) 4.011 32.822 ( -4.496 0.000 -4.075) 6.068 32.833 ( -1.896 0.000 -2.833) 3.409 34.933 ( 3.556 0.000 6.342) 7.271 35.009 ( 11.701 0.000 7.750) 14.035 35.046 ( 1.598 0.000 -5.119) 5.363 35.138 ( 13.786 0.000 -5.406) 14.808 35.394 ( 18.245 0.000 1.937) 18.348 35.446 ( 15.354 0.000 -3.761) 15.808 35.658 ( 5.920 0.000 3.231) 6.744 35.732 ( 9.113 0.000 -4.474) 10.152 37.741 ( -9.882 0.000 4.239) 10.753 37.778 ( -9.845 0.000 6.305) 11.690 37.800 ( -9.468 0.000 -2.045) 9.686 37.870 ( -9.828 0.000 -3.423) 10.407 47.308 ( 0.989 0.000 12.312) 12.352 47.334 ( 1.515 0.000 13.232) 13.318 47.515 ( -1.987 0.000 1.314) 2.382 47.572 ( 0.325 0.000 -8.088) 8.095 47.586 ( 1.938 0.000 -2.644) 3.278 47.622 ( -0.270 0.000 8.898) 8.902 47.754 ( -0.604 0.000 -9.776) 9.795 47.859 ( -1.447 0.000 -12.124) 12.210 49.747 ( 0.857 0.000 0.867) 1.219 49.762 ( 0.784 0.000 -0.707) 1.055 50.010 ( -0.894 0.000 1.981) 2.173 50.047 ( -1.000 0.000 -1.907) 2.153 73.629 ( 2.456 0.000 20.800) 20.945 73.991 ( 5.842 0.000 29.250) 29.827 74.025 ( 1.077 0.000 -13.871) 13.913 74.097 ( -0.844 0.000 17.111) 17.131 74.549 ( -2.896 0.000 -23.454) 23.632 74.575 ( 5.025 0.000 -31.960) 32.353 75.928 ( -18.701 0.000 13.659) 23.158 76.193 ( -10.954 0.000 -14.509) 18.180 76.687 ( 2.390 0.000 7.536) 7.906 76.818 ( 1.593 0.000 -6.243) 6.443 77.347 ( -0.766 0.000 9.180) 9.212 77.503 ( -1.908 0.000 -7.030) 7.284 78.314 ( -1.793 0.000 10.004) 10.163 78.508 ( -4.178 0.000 -9.716) 10.576 79.301 ( 10.797 0.000 7.732) 13.280 79.520 ( 7.142 0.000 -14.355) 16.033 85.201 ( -0.308 0.000 4.207) 4.218 85.276 ( -1.104 0.000 -3.183) 3.369 85.806 ( 0.130 0.000 1.411) 1.417 85.849 ( 0.503 0.000 -2.787) 2.832 86.179 ( 5.770 0.000 0.884) 5.837 86.194 ( 6.865 0.000 -0.531) 6.886 88.144 ( -7.568 0.000 6.354) 9.882 88.219 ( -7.682 0.000 -1.793) 7.888 102.750 ( 1.072 0.000 1.160) 1.579 102.774 ( 0.989 0.000 -1.430) 1.739 102.912 ( 0.689 0.000 4.957) 5.005 102.997 ( -0.598 0.000 0.431) 0.738 103.004 ( -0.477 0.000 -0.317) 0.573 103.006 ( -0.409 0.000 -3.858) 3.880 103.080 ( 0.277 0.000 -0.760) 0.809 103.097 ( 0.579 0.000 -2.239) 2.312 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 6.887 0.000 8.940) 11.285 1.768 ( 4.393 0.000 -4.487) 6.279 1.855 ( 3.633 0.000 11.096) 11.675 1.973 ( 1.706 0.000 0.391) 1.751 2.025 ( -0.558 0.000 -4.491) 4.526 2.072 ( -1.388 0.000 -5.637) 5.805 2.317 ( -3.812 0.000 6.322) 7.382 2.432 ( -6.331 0.000 -5.149) 8.161 2.675 ( -6.485 0.000 4.846) 8.096 2.723 ( -5.420 0.000 0.706) 5.465 2.902 ( -3.923 0.000 6.208) 7.344 2.925 ( -3.589 0.000 4.169) 5.501 3.373 ( 0.507 0.000 3.194) 3.234 3.466 ( 0.935 0.000 -6.025) 6.098 3.678 ( -9.896 0.000 3.444) 10.478 3.684 ( -6.424 0.000 5.153) 8.235 3.760 ( -0.144 0.000 2.227) 2.232 3.782 ( -12.086 0.000 -7.668) 14.314 3.803 ( -3.962 0.000 -0.958) 4.076 3.918 ( 1.611 0.000 -6.440) 6.638 4.118 ( 2.535 0.000 0.163) 2.541 4.153 ( 1.372 0.000 -3.460) 3.722 4.457 ( 0.599 0.000 3.621) 3.670 4.526 ( 11.515 0.000 4.103) 12.224 4.568 ( -2.644 0.000 -7.955) 8.382 4.641 ( 11.538 0.000 -8.222) 14.168 4.917 ( 2.001 0.000 4.688) 5.098 4.993 ( -0.806 0.000 1.212) 1.456 4.999 ( 3.463 0.000 -3.817) 5.153 5.014 ( -0.076 0.000 -0.952) 0.955 5.299 ( -1.256 0.000 6.007) 6.137 5.387 ( 1.357 0.000 3.427) 3.686 5.415 ( -2.899 0.000 -6.199) 6.843 5.446 ( 2.968 0.000 -2.947) 4.183 5.687 ( 5.870 0.000 2.283) 6.298 5.727 ( 2.137 0.000 -1.199) 2.451 5.817 ( 0.298 0.000 7.072) 7.078 5.943 ( -4.908 0.000 -5.560) 7.416 6.140 ( 7.107 0.000 2.662) 7.590 6.199 ( 6.199 0.000 -3.550) 7.144 6.213 ( -2.935 0.000 2.707) 3.992 6.269 ( -0.680 0.000 -3.478) 3.544 6.643 ( -7.192 0.000 3.191) 7.868 6.698 ( -8.279 0.000 -2.676) 8.701 7.320 ( 2.659 0.000 5.613) 6.211 7.410 ( 1.391 0.000 -3.635) 3.892 7.563 ( 1.909 0.000 3.181) 3.710 7.613 ( -0.303 0.000 -1.896) 1.920 7.760 ( 1.416 0.000 1.765) 2.263 7.802 ( 0.791 0.000 -2.694) 2.808 7.979 ( -4.903 0.000 2.860) 5.676 7.985 ( -3.730 0.000 2.434) 4.454 8.510 ( -0.915 0.000 6.563) 6.626 8.619 ( -3.491 0.000 -4.738) 5.885 8.862 ( -5.951 0.000 3.348) 6.828 8.945 ( -7.556 0.000 -5.369) 9.269 9.847 ( 4.071 0.000 10.800) 11.542 10.023 ( 2.711 0.000 -6.018) 6.601 10.098 ( -2.740 0.000 7.130) 7.638 10.247 ( 1.140 0.000 1.638) 1.995 10.262 ( -3.274 0.000 -7.786) 8.447 10.271 ( 0.332 0.000 -1.104) 1.153 10.825 ( 3.329 0.000 0.488) 3.365 10.854 ( 2.880 0.000 -2.150) 3.594 10.877 ( 3.097 0.000 -1.118) 3.293 10.908 ( 2.584 0.000 -4.025) 4.783 11.494 ( -0.962 0.000 1.845) 2.081 11.524 ( -1.393 0.000 -1.070) 1.757 12.201 ( 3.652 0.000 5.816) 6.867 12.303 ( 4.029 0.000 -4.782) 6.253 12.433 ( -3.157 0.000 5.393) 6.250 12.536 ( -2.075 0.000 -5.560) 5.935 19.755 ( 2.011 0.000 3.522) 4.055 19.850 ( -0.693 0.000 -6.419) 6.456 19.931 ( 1.826 0.000 4.735) 5.075 20.039 ( -0.947 0.000 -6.568) 6.636 21.787 ( -0.523 0.000 3.252) 3.294 21.852 ( -1.151 0.000 -3.669) 3.846 22.046 ( -0.242 0.000 3.520) 3.528 22.091 ( -1.563 0.000 -1.320) 2.045 22.166 ( 8.682 0.000 4.442) 9.753 22.232 ( 9.692 0.000 -2.235) 9.946 22.785 ( -5.684 0.000 1.135) 5.796 22.807 ( -6.608 0.000 -1.439) 6.763 23.903 ( 17.651 0.000 6.357) 18.761 24.035 ( 17.107 0.000 -7.530) 18.692 25.227 ( -21.116 0.000 2.261) 21.237 25.266 ( -18.989 0.000 -2.042) 19.099 26.487 ( 2.637 0.000 12.264) 12.544 26.678 ( 0.824 0.000 -6.042) 6.097 26.783 ( -4.048 0.000 9.368) 10.205 26.972 ( -5.627 0.000 -8.689) 10.352 27.155 ( 2.833 0.000 16.028) 16.276 27.407 ( -2.209 0.000 -8.603) 8.882 27.709 ( 2.779 0.000 2.745) 3.906 27.772 ( 2.354 0.000 -3.736) 4.416 28.256 ( -0.997 0.000 16.079) 16.110 28.645 ( -11.017 0.000 -23.068) 25.563 28.680 ( 3.279 0.000 13.214) 13.614 28.972 ( -2.608 0.000 -17.321) 17.516 29.867 ( 4.665 0.000 10.379) 11.379 30.089 ( 2.177 0.000 -12.678) 12.863 30.478 ( -13.811 0.000 0.468) 13.819 30.491 ( -13.944 0.000 -1.030) 13.982 30.876 ( 9.665 0.000 8.183) 12.664 31.045 ( 8.732 0.000 -9.359) 12.800 31.422 ( -6.549 0.000 3.987) 7.667 31.500 ( -4.235 0.000 -4.373) 6.087 32.653 ( -3.438 0.000 4.273) 5.484 32.726 ( -4.958 0.000 -3.509) 6.075 32.743 ( -0.880 0.000 3.203) 3.322 32.794 ( -1.914 0.000 -2.283) 2.979 34.996 ( 2.718 0.000 3.487) 4.421 35.060 ( 0.172 0.000 -2.992) 2.997 35.220 ( 8.272 0.000 6.005) 10.222 35.331 ( 4.488 0.000 -5.664) 7.227 35.848 ( 26.614 0.000 1.019) 26.633 35.877 ( 27.921 0.000 -2.117) 28.001 35.946 ( 23.794 0.000 5.029) 24.319 36.035 ( 22.585 0.000 -4.434) 23.016 37.466 ( -18.272 0.000 4.391) 18.792 37.502 ( -18.466 0.000 6.101) 19.448 37.532 ( -18.131 0.000 -2.583) 18.314 37.593 ( -18.676 0.000 -3.497) 19.000 47.336 ( 1.787 0.000 11.886) 12.020 47.375 ( 2.711 0.000 13.150) 13.426 47.472 ( -2.440 0.000 6.094) 6.565 47.554 ( -2.221 0.000 8.354) 8.644 47.627 ( 2.246 0.000 -6.806) 7.167 47.641 ( 2.284 0.000 -7.458) 7.800 47.737 ( -1.203 0.000 -9.933) 10.006 47.819 ( -2.626 0.000 -12.048) 12.331 49.769 ( 1.331 0.000 0.875) 1.593 49.782 ( 1.194 0.000 -0.518) 1.301 49.989 ( -1.129 0.000 1.647) 1.997 50.020 ( -1.670 0.000 -1.678) 2.367 73.696 ( 4.399 0.000 21.526) 21.971 73.994 ( -4.008 0.000 19.258) 19.670 74.135 ( 4.480 0.000 -17.022) 17.601 74.155 ( 11.092 0.000 29.546) 31.559 74.470 ( -5.067 0.000 -23.284) 23.829 74.690 ( 5.403 0.000 -23.791) 24.397 75.535 ( -18.669 0.000 16.530) 24.936 75.914 ( -16.937 0.000 -21.061) 27.026 76.748 ( 3.680 0.000 6.998) 7.906 76.851 ( 1.431 0.000 -3.430) 3.717 77.333 ( -0.386 0.000 6.028) 6.040 77.453 ( -3.159 0.000 -5.978) 6.762 78.290 ( -0.440 0.000 6.825) 6.839 78.420 ( -4.478 0.000 -6.278) 7.712 79.516 ( 10.202 0.000 1.520) 10.314 79.657 ( 5.862 0.000 -12.844) 14.118 85.196 ( -0.109 0.000 4.913) 4.914 85.248 ( -1.598 0.000 -0.083) 1.600 85.814 ( 0.701 0.000 -0.822) 1.081 85.855 ( 0.015 0.000 -4.766) 4.766 86.326 ( 8.763 0.000 2.140) 9.021 86.360 ( 9.256 0.000 -1.271) 9.343 87.961 ( -10.243 0.000 6.449) 12.104 88.029 ( -11.067 0.000 -0.746) 11.092 102.777 ( 1.628 0.000 0.945) 1.882 102.798 ( 1.275 0.000 -1.254) 1.788 102.930 ( 1.126 0.000 4.125) 4.276 102.982 ( -0.840 0.000 0.504) 0.979 102.991 ( -0.842 0.000 -0.417) 0.940 102.994 ( -0.785 0.000 -1.541) 1.729 103.088 ( 0.570 0.000 -1.398) 1.510 103.107 ( 0.354 0.000 -3.352) 3.370 ======================= Grid point 143 (52/60) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 14.537 0.000 5.079) 15.398 1.928 ( 11.706 0.000 -2.630) 11.997 1.931 ( 4.042 0.000 6.012) 7.244 1.988 ( -0.939 0.000 1.953) 2.167 2.018 ( 0.149 0.000 -3.427) 3.431 2.036 ( -1.862 0.000 -2.451) 3.078 2.147 ( -12.909 0.000 3.668) 13.421 2.207 ( -15.111 0.000 -2.381) 15.298 2.627 ( 0.655 0.000 4.784) 4.828 2.657 ( -1.990 0.000 1.869) 2.730 2.843 ( -1.321 0.000 5.864) 6.011 2.862 ( -2.720 0.000 4.319) 5.104 3.406 ( 3.122 0.000 1.822) 3.615 3.473 ( -1.881 0.000 -3.603) 4.064 3.554 ( -2.269 0.000 -0.837) 2.419 3.580 ( -1.351 0.000 -0.438) 1.420 3.597 ( -6.439 0.000 -5.344) 8.367 3.644 ( -6.214 0.000 -5.795) 8.497 3.879 ( 5.201 0.000 5.149) 7.319 3.938 ( -0.508 0.000 -0.610) 0.793 4.157 ( 1.398 0.000 -0.231) 1.417 4.170 ( 0.118 0.000 -1.531) 1.536 4.468 ( 0.895 0.000 -0.298) 0.944 4.507 ( -3.143 0.000 -4.279) 5.309 4.745 ( 10.277 0.000 4.079) 11.057 4.840 ( 6.698 0.000 -5.605) 8.734 4.914 ( -1.432 0.000 3.725) 3.991 4.991 ( 0.800 0.000 1.064) 1.332 4.994 ( -3.705 0.000 -4.308) 5.683 5.011 ( -0.683 0.000 -0.756) 1.018 5.289 ( 0.988 0.000 2.051) 2.277 5.343 ( -4.025 0.000 -3.465) 5.311 5.454 ( 6.134 0.000 3.513) 7.069 5.522 ( 4.768 0.000 -3.560) 5.950 5.632 ( -7.046 0.000 4.247) 8.227 5.697 ( -7.420 0.000 -2.339) 7.780 5.927 ( 5.477 0.000 0.964) 5.561 5.928 ( 5.454 0.000 0.785) 5.510 6.171 ( -1.088 0.000 2.320) 2.562 6.218 ( -4.501 0.000 -2.500) 5.149 6.291 ( 7.927 0.000 2.020) 8.180 6.331 ( 6.290 0.000 -2.207) 6.666 6.499 ( -6.664 0.000 2.002) 6.958 6.535 ( -8.020 0.000 -1.865) 8.234 7.376 ( 2.820 0.000 3.160) 4.235 7.415 ( -1.004 0.000 -0.803) 1.285 7.597 ( 1.369 0.000 1.439) 1.986 7.611 ( -0.193 0.000 -0.059) 0.202 7.784 ( 1.104 0.000 0.536) 1.228 7.802 ( -0.647 0.000 -1.321) 1.471 7.904 ( -1.883 0.000 2.478) 3.112 7.916 ( -2.757 0.000 1.418) 3.101 8.525 ( 2.006 0.000 2.822) 3.463 8.568 ( -2.181 0.000 -1.471) 2.631 8.780 ( -1.650 0.000 0.128) 1.655 8.817 ( -5.046 0.000 -3.619) 6.210 9.931 ( 4.529 0.000 10.255) 11.210 10.014 ( -3.799 0.000 9.632) 10.354 10.109 ( 3.843 0.000 -7.568) 8.488 10.189 ( -4.168 0.000 -7.735) 8.786 10.266 ( 0.766 0.000 0.947) 1.218 10.274 ( -0.046 0.000 0.042) 0.062 10.880 ( 2.040 0.000 0.095) 2.043 10.893 ( 0.829 0.000 -1.052) 1.340 10.927 ( 1.787 0.000 -1.373) 2.253 10.939 ( 0.514 0.000 -2.583) 2.634 11.483 ( 0.007 0.000 0.245) 0.245 11.496 ( -1.234 0.000 -1.035) 1.610 12.279 ( 4.310 0.000 6.196) 7.547 12.359 ( -3.232 0.000 5.429) 6.318 12.394 ( 3.889 0.000 -4.588) 6.014 12.477 ( -3.954 0.000 -5.826) 7.041 19.795 ( 2.049 0.000 0.415) 2.091 19.830 ( -1.456 0.000 -3.175) 3.493 19.971 ( 2.247 0.000 1.326) 2.609 20.012 ( -1.846 0.000 -2.898) 3.436 21.790 ( 0.866 0.000 1.318) 1.577 21.818 ( -1.918 0.000 -1.625) 2.514 22.047 ( 0.430 0.000 1.761) 1.813 22.063 ( -1.238 0.000 0.026) 1.238 22.357 ( 9.846 0.000 2.877) 10.258 22.412 ( 6.945 0.000 -2.835) 7.502 22.645 ( -6.767 0.000 2.377) 7.173 22.673 ( -7.024 0.000 -0.591) 7.049 24.292 ( 21.748 0.000 5.054) 22.328 24.399 ( 18.841 0.000 -6.291) 19.864 24.795 ( -21.671 0.000 4.160) 22.066 24.868 ( -21.170 0.000 -3.701) 21.491 26.550 ( 3.937 0.000 11.561) 12.213 26.634 ( -4.488 0.000 9.149) 10.190 26.782 ( 3.268 0.000 -6.245) 7.049 26.866 ( -5.136 0.000 -8.665) 10.072 27.238 ( 5.432 0.000 12.052) 13.219 27.341 ( -4.679 0.000 2.941) 5.526 27.759 ( 2.257 0.000 1.987) 3.007 27.789 ( -0.568 0.000 -0.953) 1.110 28.284 ( 4.555 0.000 -0.520) 4.584 28.431 ( -10.200 0.000 -14.308) 17.572 28.774 ( 6.086 0.000 4.193) 7.391 28.892 ( -5.588 0.000 -8.029) 9.782 29.989 ( 8.217 0.000 7.494) 11.121 30.141 ( 1.109 0.000 -5.470) 5.581 30.213 ( -9.623 0.000 -1.013) 9.676 30.281 ( -8.421 0.000 -5.511) 10.064 31.057 ( 8.708 0.000 7.201) 11.300 31.166 ( 0.605 0.000 -1.839) 1.936 31.325 ( -0.499 0.000 -0.228) 0.548 31.405 ( -5.535 0.000 -6.347) 8.421 32.617 ( -0.152 0.000 1.777) 1.783 32.646 ( -3.050 0.000 -1.365) 3.342 32.741 ( 0.625 0.000 1.621) 1.738 32.762 ( -1.433 0.000 -0.570) 1.542 35.037 ( 1.508 0.000 0.848) 1.730 35.056 ( -0.557 0.000 -1.158) 1.285 35.323 ( 3.111 0.000 1.766) 3.577 35.357 ( -0.611 0.000 -1.894) 1.990 36.365 ( 24.242 0.000 2.080) 24.331 36.409 ( 23.086 0.000 -2.465) 23.218 36.457 ( 25.904 0.000 4.293) 26.257 36.525 ( 23.975 0.000 -2.929) 24.153 37.079 ( -18.681 0.000 3.655) 19.035 37.100 ( -20.533 0.000 4.978) 21.128 37.133 ( -21.043 0.000 -2.098) 21.147 37.176 ( -23.042 0.000 -2.975) 23.233 47.375 ( 2.318 0.000 10.841) 11.086 47.423 ( -2.557 0.000 8.986) 9.342 47.435 ( 3.341 0.000 12.883) 13.309 47.499 ( -3.252 0.000 12.053) 12.484 47.670 ( 2.161 0.000 -8.822) 9.083 47.697 ( 3.271 0.000 -11.059) 11.532 47.708 ( -1.758 0.000 -9.732) 9.890 47.761 ( -3.295 0.000 -11.816) 12.267 49.793 ( 1.000 0.000 0.690) 1.215 49.800 ( 0.395 0.000 -0.005) 0.395 49.975 ( -0.100 0.000 0.571) 0.580 49.989 ( -1.404 0.000 -0.875) 1.654 73.793 ( 5.469 0.000 22.382) 23.040 73.900 ( -5.465 0.000 22.728) 23.376 74.240 ( 6.109 0.000 -21.828) 22.667 74.360 ( -6.178 0.000 -22.885) 23.704 74.408 ( 14.630 0.000 27.135) 30.828 74.669 ( -9.653 0.000 9.431) 13.495 75.366 ( 3.632 0.000 -9.985) 10.626 75.585 ( -16.003 0.000 -23.528) 28.454 76.817 ( 3.188 0.000 5.208) 6.106 76.858 ( -0.891 0.000 1.276) 1.556 77.343 ( 1.512 0.000 0.868) 1.743 77.390 ( -3.134 0.000 -3.599) 4.772 78.300 ( 1.432 0.000 2.577) 2.948 78.345 ( -3.199 0.000 -1.964) 3.754 79.669 ( 5.447 0.000 -3.965) 6.737 79.719 ( 0.343 0.000 -9.138) 9.145 85.200 ( 0.585 0.000 4.701) 4.737 85.219 ( -1.326 0.000 2.945) 3.229 85.831 ( 0.988 0.000 -3.550) 3.685 85.848 ( -0.693 0.000 -5.169) 5.215 86.477 ( 5.681 0.000 2.004) 6.024 86.499 ( 3.827 0.000 -0.222) 3.833 87.809 ( -3.985 0.000 4.676) 6.144 87.841 ( -6.999 0.000 1.263) 7.112 102.806 ( 1.179 0.000 0.360) 1.233 102.815 ( 0.311 0.000 -0.608) 0.683 102.953 ( 1.243 0.000 2.656) 2.933 102.970 ( -0.264 0.000 0.242) 0.358 102.975 ( -0.685 0.000 -0.266) 0.735 102.976 ( -1.102 0.000 0.711) 1.312 103.100 ( 0.597 0.000 -2.382) 2.456 103.108 ( -0.222 0.000 -3.254) 3.262 ======================= Grid point 147 (53/60) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 1.707 9.354) 9.508 1.728 ( 0.000 -2.282 11.156) 11.387 1.762 ( 0.000 -2.546 0.028) 2.546 1.828 ( 0.000 -6.100 4.669) 7.682 2.066 ( 0.000 1.978 -5.358) 5.712 2.097 ( 0.000 0.767 -8.278) 8.314 2.414 ( 0.000 6.922 4.154) 8.073 2.495 ( 0.000 2.755 -2.729) 3.878 2.850 ( 0.000 1.126 5.095) 5.218 2.867 ( 0.000 -0.003 1.741) 1.741 2.994 ( 0.000 -2.986 0.317) 3.002 2.999 ( 0.000 -2.949 1.286) 3.217 3.467 ( 0.000 8.429 8.687) 12.105 3.553 ( 0.000 6.865 -1.771) 7.090 3.721 ( 0.000 2.433 2.926) 3.806 3.817 ( 0.000 -1.601 -4.550) 4.823 3.876 ( 0.000 -6.781 -0.019) 6.781 3.891 ( 0.000 -1.964 -0.691) 2.082 4.020 ( 0.000 -2.162 0.497) 2.219 4.026 ( 0.000 -1.543 0.857) 1.765 4.057 ( 0.000 -9.219 -1.811) 9.395 4.116 ( 0.000 -0.863 -3.871) 3.966 4.235 ( 0.000 -3.328 -2.989) 4.473 4.288 ( 0.000 -0.336 -6.320) 6.329 4.566 ( 0.000 5.606 1.603) 5.831 4.628 ( 0.000 0.443 -4.895) 4.915 4.816 ( 0.000 6.646 2.443) 7.081 4.898 ( 0.000 9.752 -5.969) 11.434 4.980 ( 0.000 -1.572 1.813) 2.400 4.999 ( 0.000 -3.210 -0.250) 3.219 5.275 ( 0.000 -3.156 6.884) 7.573 5.369 ( 0.000 0.665 3.866) 3.923 5.415 ( 0.000 2.485 -0.317) 2.505 5.426 ( 0.000 -1.796 -7.863) 8.065 5.557 ( 0.000 -4.646 4.561) 6.510 5.641 ( 0.000 -4.236 -3.620) 5.572 5.776 ( 0.000 -1.266 7.749) 7.851 5.898 ( 0.000 -6.040 0.696) 6.080 5.943 ( 0.000 -5.184 -2.052) 5.575 5.962 ( 0.000 -2.849 -9.080) 9.516 6.404 ( 0.000 10.203 1.124) 10.265 6.443 ( 0.000 8.928 -2.677) 9.320 6.793 ( 0.000 -2.935 2.333) 3.750 6.842 ( 0.000 -4.797 -2.899) 5.605 7.446 ( 0.000 7.297 3.569) 8.123 7.448 ( 0.000 11.883 3.174) 12.300 7.613 ( 0.000 7.638 2.743) 8.115 7.671 ( 0.000 -0.513 -2.156) 2.216 7.753 ( 0.000 3.997 -0.960) 4.111 7.761 ( 0.000 1.617 -0.574) 1.716 8.017 ( 0.000 -3.263 3.598) 4.857 8.036 ( 0.000 -2.538 1.431) 2.913 8.530 ( 0.000 -5.343 7.717) 9.386 8.614 ( 0.000 -7.734 -2.134) 8.023 8.864 ( 0.000 -10.904 3.160) 11.353 8.968 ( 0.000 -13.133 -6.820) 14.798 9.804 ( 0.000 3.224 8.779) 9.352 9.939 ( 0.000 -2.234 -5.285) 5.738 10.172 ( 0.000 0.776 7.586) 7.626 10.209 ( 0.000 -0.689 2.585) 2.675 10.270 ( 0.000 0.670 -2.199) 2.299 10.323 ( 0.000 -0.704 -5.867) 5.909 10.584 ( 0.000 -4.555 -1.051) 4.675 10.611 ( 0.000 -4.459 -3.807) 5.863 11.072 ( 0.000 13.213 -2.239) 13.401 11.093 ( 0.000 13.111 -3.908) 13.681 11.477 ( 0.000 -3.770 1.063) 3.918 11.496 ( 0.000 -4.636 -0.741) 4.695 12.167 ( 0.000 3.064 4.264) 5.251 12.235 ( 0.000 0.826 -2.874) 2.990 12.531 ( 0.000 1.296 1.185) 1.756 12.556 ( 0.000 0.676 -1.365) 1.523 19.733 ( 0.000 1.982 6.412) 6.711 19.861 ( 0.000 -2.229 4.884) 5.368 19.888 ( 0.000 1.729 -7.293) 7.495 20.019 ( 0.000 -2.576 -9.202) 9.556 21.834 ( 0.000 1.811 1.831) 2.575 21.861 ( 0.000 1.051 -0.946) 1.414 21.980 ( 0.000 1.213 6.140) 6.259 22.041 ( 0.000 -1.045 4.537) 4.656 22.079 ( 0.000 0.799 -3.049) 3.152 22.120 ( 0.000 -0.751 -2.567) 2.675 22.910 ( 0.000 2.155 1.512) 2.633 22.953 ( 0.000 0.565 -3.181) 3.231 23.557 ( 0.000 1.403 4.464) 4.680 23.649 ( 0.000 -2.011 -5.306) 5.675 25.528 ( 0.000 -10.340 -0.021) 10.340 25.529 ( 0.000 -9.423 -0.422) 9.432 26.493 ( 0.000 4.457 11.751) 12.568 26.660 ( 0.000 0.247 -4.737) 4.743 27.025 ( 0.000 -1.828 6.979) 7.214 27.052 ( 0.000 6.180 5.751) 8.442 27.392 ( 0.000 14.273 -0.782) 14.294 27.431 ( 0.000 1.758 -4.727) 5.043 27.684 ( 0.000 1.579 -1.897) 2.468 27.686 ( 0.000 2.519 -2.926) 3.861 28.159 ( 0.000 -10.127 22.723) 24.878 28.381 ( 0.000 -16.165 2.426) 16.346 29.037 ( 0.000 6.783 -15.522) 16.939 29.069 ( 0.000 3.968 -15.762) 16.254 29.845 ( 0.000 5.515 9.531) 11.012 30.049 ( 0.000 -0.780 -11.232) 11.259 30.627 ( 0.000 -0.140 5.149) 5.151 30.761 ( 0.000 -4.159 -8.224) 9.216 30.840 ( 0.000 2.100 3.862) 4.396 30.898 ( 0.000 0.329 -2.252) 2.276 31.566 ( 0.000 -0.778 0.245) 0.815 31.580 ( 0.000 -1.058 -1.048) 1.489 32.768 ( 0.000 -0.639 4.952) 4.993 32.783 ( 0.000 -1.125 3.013) 3.216 32.866 ( 0.000 0.732 -2.349) 2.460 32.876 ( 0.000 0.260 -3.154) 3.164 34.843 ( 0.000 -2.017 5.412) 5.776 34.856 ( 0.000 -2.292 4.793) 5.313 34.953 ( 0.000 -1.152 -1.081) 1.580 34.986 ( 0.000 -1.829 -3.735) 4.159 35.298 ( 0.000 4.872 1.383) 5.064 35.347 ( 0.000 3.186 -4.437) 5.463 35.615 ( 0.000 -0.763 0.213) 0.792 35.632 ( 0.000 -0.958 -2.051) 2.264 37.827 ( 0.000 -0.629 3.512) 3.568 37.836 ( 0.000 -1.377 3.439) 3.705 37.944 ( 0.000 2.469 0.550) 2.530 37.979 ( 0.000 0.796 -2.321) 2.453 47.302 ( 0.000 0.479 11.299) 11.309 47.335 ( 0.000 1.172 12.939) 12.992 47.455 ( 0.000 -4.551 0.186) 4.555 47.504 ( 0.000 -3.649 8.150) 8.930 47.589 ( 0.000 1.591 -10.694) 10.812 47.646 ( 0.000 -0.105 -6.386) 6.387 47.826 ( 0.000 4.356 -3.514) 5.596 47.899 ( 0.000 1.374 -8.861) 8.967 49.751 ( 0.000 1.015 0.748) 1.261 49.765 ( 0.000 0.764 -0.770) 1.085 50.004 ( 0.000 -1.017 1.734) 2.011 50.034 ( 0.000 -1.784 -1.447) 2.297 73.615 ( 0.000 1.043 19.748) 19.775 73.796 ( 0.000 -7.436 17.442) 18.961 74.048 ( 0.000 0.802 -12.593) 12.618 74.077 ( 0.000 -1.914 9.950) 10.133 74.663 ( 0.000 11.122 -16.226) 19.672 74.770 ( 0.000 14.504 -17.557) 22.774 75.661 ( 0.000 -25.172 9.503) 26.906 75.892 ( 0.000 -24.754 -14.096) 28.486 77.085 ( 0.000 20.636 0.169) 20.636 77.117 ( 0.000 16.380 -2.908) 16.636 77.377 ( 0.000 1.561 7.590) 7.749 77.492 ( 0.000 -2.686 -4.392) 5.148 78.396 ( 0.000 6.114 12.777) 14.164 78.655 ( 0.000 8.632 -14.065) 16.503 79.022 ( 0.000 -12.616 13.018) 18.128 79.293 ( 0.000 -12.128 -14.867) 19.186 85.281 ( 0.000 6.180 3.007) 6.873 85.349 ( 0.000 5.153 -3.886) 6.454 85.654 ( 0.000 -9.292 1.611) 9.430 85.692 ( 0.000 -9.085 -2.260) 9.362 86.280 ( 0.000 8.897 1.157) 8.972 86.286 ( 0.000 9.071 0.557) 9.088 88.196 ( 0.000 -1.684 4.912) 5.193 88.248 ( 0.000 -3.648 -0.850) 3.745 102.762 ( 0.000 1.901 1.787) 2.609 102.799 ( 0.000 2.508 -1.999) 3.207 102.889 ( 0.000 -1.047 4.040) 4.173 102.973 ( 0.000 -2.246 -3.926) 4.523 103.015 ( 0.000 0.949 0.564) 1.104 103.031 ( 0.000 0.918 -1.237) 1.541 103.068 ( 0.000 -0.753 -0.466) 0.885 103.081 ( 0.000 -0.757 -1.214) 1.431 ======================= Grid point 148 (54/60) ======================= q-point: ( 0.14 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -0.273 2.421 8.737) 9.070 1.719 ( -1.441 -1.956 -0.746) 2.542 1.770 ( 3.135 -2.047 14.017) 14.508 1.883 ( 4.079 -4.579 1.712) 6.367 2.064 ( -0.188 2.104 -5.187) 5.601 2.095 ( -0.157 0.805 -7.648) 7.691 2.404 ( -1.081 5.355 4.586) 7.133 2.493 ( -0.643 1.505 -3.601) 3.955 2.816 ( -5.513 0.501 2.581) 6.108 2.827 ( -3.156 0.939 3.077) 4.506 2.940 ( -4.857 -3.214 2.578) 6.369 2.957 ( -4.127 -3.266 2.177) 5.695 3.448 ( -1.530 6.551 5.390) 8.621 3.515 ( -3.002 4.422 -2.299) 5.818 3.721 ( -0.138 1.365 4.473) 4.679 3.774 ( -6.237 -2.870 0.102) 6.867 3.806 ( -4.757 -2.865 -0.030) 5.553 3.842 ( -5.869 -3.034 -4.620) 8.062 3.968 ( 0.877 -8.060 2.850) 8.594 4.042 ( -0.265 3.553 -0.876) 3.669 4.059 ( -2.445 -3.304 -5.589) 6.938 4.110 ( -0.210 3.761 -6.391) 7.419 4.278 ( 4.813 -3.310 0.003) 5.841 4.322 ( 5.165 -4.554 -4.346) 8.143 4.611 ( 2.867 7.611 2.151) 8.413 4.689 ( 3.408 4.187 -5.628) 7.799 4.847 ( -2.924 1.193 0.321) 3.174 4.860 ( 2.956 0.751 -1.134) 3.254 5.005 ( 3.388 0.124 2.177) 4.029 5.047 ( 3.762 1.312 -2.250) 4.576 5.298 ( 1.387 -2.273 6.709) 7.218 5.366 ( -0.053 -0.240 3.081) 3.091 5.401 ( -0.795 2.531 -0.682) 2.739 5.466 ( 2.443 -0.046 -6.656) 7.090 5.570 ( 2.101 -4.129 3.083) 5.565 5.639 ( 0.752 -4.647 -3.697) 5.985 5.783 ( 0.398 -0.923 7.722) 7.788 5.906 ( -1.129 -3.465 -4.271) 5.614 5.937 ( 2.475 -6.889 2.370) 7.694 6.021 ( 4.103 -5.003 -6.803) 9.388 6.393 ( -0.994 9.678 1.041) 9.784 6.425 ( -1.818 9.338 -2.058) 9.733 6.765 ( -2.694 -1.685 2.365) 3.961 6.811 ( -3.121 -3.309 -2.505) 5.193 7.389 ( -3.108 7.404 5.889) 9.958 7.471 ( -0.432 8.621 -2.015) 8.864 7.582 ( -2.334 2.629 3.847) 5.211 7.650 ( -2.100 0.978 -2.519) 3.422 7.753 ( 1.138 2.331 2.290) 3.460 7.800 ( 2.353 2.572 -2.537) 4.312 7.999 ( -1.785 -3.479 3.456) 5.218 8.015 ( -2.319 -3.180 1.677) 4.278 8.519 ( -0.451 -2.454 7.046) 7.475 8.613 ( -0.161 -5.258 -3.190) 6.152 8.848 ( -1.692 -8.725 2.983) 9.375 8.938 ( -2.984 -10.932 -5.895) 12.774 9.822 ( 1.872 2.927 8.707) 9.374 9.956 ( 1.685 -2.189 -5.110) 5.808 10.159 ( -1.540 1.289 7.920) 8.171 10.222 ( 1.207 -0.535 2.423) 2.759 10.269 ( -0.177 0.515 -2.638) 2.694 10.308 ( -1.468 -0.541 -6.006) 6.207 10.568 ( -1.343 -6.955 -0.909) 7.142 10.588 ( -1.816 -6.376 -3.134) 7.333 11.101 ( 3.008 12.943 -1.062) 13.330 11.134 ( 3.538 12.672 -4.111) 13.784 11.477 ( 0.034 -3.151 1.073) 3.329 11.499 ( 0.214 -3.892 -1.121) 4.056 12.189 ( 2.098 3.147 4.232) 5.676 12.257 ( 2.165 0.811 -2.937) 3.738 12.505 ( -2.281 1.559 2.663) 3.837 12.556 ( -0.537 -0.056 -2.840) 2.891 19.746 ( 1.259 1.994 5.719) 6.186 19.870 ( 0.861 -1.628 2.916) 3.449 19.888 ( -0.015 1.270 -5.107) 5.263 20.018 ( -0.167 -2.574 -8.621) 8.999 21.828 ( -1.079 1.662 2.633) 3.295 21.862 ( 0.896 0.847 -0.731) 1.433 22.044 ( -0.541 -0.212 3.017) 3.073 22.047 ( 4.295 0.334 3.310) 5.433 22.099 ( 3.153 0.490 -1.048) 3.359 22.114 ( 1.263 -0.122 -1.626) 2.062 22.886 ( -2.525 1.964 1.168) 3.405 22.920 ( -3.449 0.710 -2.569) 4.359 23.650 ( 9.482 1.296 4.529) 10.588 23.744 ( 9.594 -2.111 -5.443) 11.230 25.420 ( -10.752 -9.071 0.714) 14.085 25.433 ( -10.013 -8.883 -0.952) 13.419 26.506 ( 1.410 4.547 11.737) 12.666 26.673 ( 1.460 0.428 -4.754) 4.991 26.997 ( -3.294 4.267 8.077) 9.710 27.041 ( -0.769 2.309 5.257) 5.793 27.308 ( -6.409 9.858 0.714) 11.780 27.412 ( -2.406 2.214 -7.745) 8.406 27.678 ( -1.441 -0.835 0.963) 1.924 27.713 ( 1.848 0.598 -2.985) 3.561 28.181 ( 2.659 -6.874 18.530) 19.942 28.384 ( 0.799 -14.651 1.619) 14.762 28.998 ( -4.077 7.602 -12.915) 15.531 29.058 ( -1.463 3.510 -15.570) 16.028 29.862 ( 1.766 5.053 9.168) 10.616 30.056 ( 0.747 -0.913 -10.693) 10.758 30.645 ( -2.572 -1.700 4.028) 5.072 30.720 ( -8.438 -2.714 -2.629) 9.245 30.790 ( -1.146 3.024 3.172) 4.530 30.881 ( 3.860 -0.775 -6.454) 7.560 31.527 ( -4.112 -0.417 0.978) 4.247 31.551 ( -2.793 -1.182 -1.611) 3.434 32.729 ( -3.456 -0.113 5.078) 6.144 32.758 ( -2.109 -1.126 3.193) 3.989 32.829 ( -4.257 0.418 -3.252) 5.373 32.836 ( -2.573 0.181 -2.843) 3.839 34.916 ( 5.580 -0.889 5.885) 8.158 34.963 ( 9.851 -2.625 4.915) 11.318 35.046 ( 5.426 -0.230 -2.183) 5.853 35.114 ( 11.193 -2.211 -5.542) 12.684 35.433 ( 15.827 2.935 1.664) 16.182 35.475 ( 14.064 1.885 -3.105) 14.526 35.668 ( 7.584 0.841 2.326) 7.977 35.724 ( 9.552 -0.813 -3.488) 10.201 37.732 ( -9.712 -0.518 3.724) 10.415 37.744 ( -9.468 -1.310 3.450) 10.161 37.848 ( -9.920 2.333 0.202) 10.192 37.882 ( -9.986 0.702 -2.448) 10.306 47.310 ( 0.854 0.387 11.165) 11.205 47.346 ( 1.120 0.896 12.826) 12.905 47.451 ( -0.451 -4.125 1.382) 4.374 47.495 ( -0.897 -3.672 7.959) 8.810 47.607 ( 1.749 1.470 -10.293) 10.544 47.653 ( 0.722 0.190 -6.938) 6.978 47.814 ( -1.169 4.154 -4.002) 5.885 47.884 ( -1.496 1.347 -8.930) 9.155 49.761 ( 0.966 1.096 0.745) 1.640 49.775 ( 0.923 0.879 -0.709) 1.458 49.994 ( -0.979 -1.087 1.697) 2.240 50.024 ( -1.055 -1.831 -1.441) 2.558 73.642 ( 2.740 1.288 20.015) 20.243 73.839 ( 4.341 -7.870 16.640) 18.912 74.051 ( -0.530 0.202 3.128) 3.179 74.088 ( 1.744 -1.013 -2.211) 2.993 74.686 ( 2.206 9.635 -17.582) 20.170 74.753 ( -1.398 14.612 -17.587) 22.908 75.560 ( -9.934 -21.585 11.203) 26.270 75.827 ( -6.706 -23.302 -15.815) 28.949 77.025 ( -4.706 18.568 2.876) 19.370 77.080 ( -3.297 14.701 -2.613) 15.291 77.379 ( 0.000 1.533 5.713) 5.915 77.474 ( -1.889 -3.018 -3.805) 5.212 78.396 ( 0.340 8.352 10.881) 13.721 78.617 ( -3.346 10.139 -11.835) 15.939 79.125 ( 9.174 -14.437 9.368) 19.503 79.356 ( 5.553 -13.707 -14.179) 20.488 85.277 ( -0.302 6.198 3.179) 6.972 85.339 ( -0.955 5.313 -2.999) 6.175 85.657 ( 0.329 -9.407 0.878) 9.453 85.694 ( 0.145 -9.435 -2.845) 9.855 86.351 ( 7.138 9.987 1.442) 12.360 86.364 ( 7.812 9.901 0.136) 12.612 88.109 ( -8.706 -2.464 5.107) 10.390 88.161 ( -8.659 -4.353 -0.531) 9.706 102.773 ( 1.046 1.885 1.712) 2.753 102.809 ( 0.902 2.506 -1.982) 3.320 102.895 ( 0.618 -1.151 3.951) 4.162 102.973 ( -0.064 -2.058 -3.322) 3.908 103.010 ( -0.470 0.999 0.496) 1.210 103.025 ( -0.626 0.965 -0.931) 1.480 103.069 ( 0.120 -0.891 -0.617) 1.090 103.084 ( 0.263 -1.026 -1.825) 2.110 ======================= Grid point 149 (55/60) ======================= q-point: ( 0.29 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 5.658 1.952 7.223) 9.381 1.735 ( 3.759 -1.777 0.177) 4.162 1.852 ( 4.958 -0.232 11.200) 12.251 1.959 ( 3.289 -2.134 0.810) 4.003 2.060 ( -0.109 2.441 -4.336) 4.977 2.088 ( -0.694 1.191 -5.774) 5.936 2.356 ( -4.947 2.945 3.866) 6.935 2.439 ( -6.434 0.179 -4.013) 7.585 2.668 ( -7.784 -0.007 4.481) 8.982 2.712 ( -7.093 -0.476 0.476) 7.125 2.847 ( -4.653 -4.195 5.177) 8.127 2.863 ( -5.175 -4.528 3.512) 7.721 3.419 ( -1.272 3.312 1.790) 3.973 3.479 ( -0.726 0.902 -4.203) 4.359 3.613 ( -6.857 -2.107 1.679) 7.367 3.663 ( -6.668 -2.166 -2.938) 7.602 3.734 ( -2.297 -0.253 2.605) 3.482 3.775 ( -1.503 2.385 -1.226) 3.074 3.990 ( -2.529 10.922 0.920) 11.249 4.017 ( 2.954 -5.283 -0.014) 6.052 4.056 ( -0.165 -2.915 -3.924) 4.891 4.095 ( 0.346 4.740 -6.309) 7.898 4.410 ( 8.160 -3.963 1.221) 9.154 4.462 ( 7.855 -5.484 -3.370) 10.155 4.638 ( -0.898 4.246 -0.403) 4.359 4.680 ( -1.919 3.811 -4.072) 5.898 4.843 ( 1.601 -3.131 3.102) 4.689 4.902 ( 0.953 -3.664 -3.068) 4.873 5.070 ( 1.732 2.524 2.405) 3.893 5.113 ( 2.155 3.268 -2.099) 4.442 5.297 ( -1.178 -0.294 4.824) 4.974 5.365 ( -0.726 -1.541 -1.026) 1.988 5.411 ( 2.391 1.774 3.009) 4.233 5.500 ( 2.539 2.578 -5.369) 6.474 5.655 ( 6.174 -3.132 2.272) 7.287 5.695 ( 3.042 -2.610 -1.003) 4.132 5.783 ( 0.913 -1.398 4.377) 4.684 5.869 ( -2.533 -3.207 -4.061) 5.761 5.993 ( 2.022 -7.791 4.105) 9.036 6.088 ( 2.016 -6.129 -5.575) 8.527 6.378 ( -0.121 8.448 1.164) 8.528 6.398 ( 0.179 9.123 -0.879) 9.167 6.694 ( -4.555 1.567 2.113) 5.260 6.729 ( -5.107 0.395 -1.675) 5.389 7.343 ( -1.349 2.358 5.319) 5.973 7.436 ( -2.761 2.927 -4.189) 5.809 7.540 ( -2.053 -2.827 3.353) 4.843 7.596 ( -3.366 -1.536 -2.400) 4.410 7.787 ( 2.076 2.788 3.132) 4.679 7.837 ( 1.322 2.832 -1.954) 3.686 7.952 ( -2.719 -2.396 3.016) 4.715 7.965 ( -2.051 -1.829 1.895) 3.338 8.531 ( 1.676 2.085 4.816) 5.509 8.612 ( 0.153 -0.236 -3.785) 3.795 8.799 ( -3.187 -4.679 2.281) 6.103 8.862 ( -4.514 -6.532 -4.336) 9.047 9.875 ( 3.493 2.290 8.378) 9.362 10.002 ( 3.009 -2.198 -4.561) 5.890 10.111 ( -3.372 1.771 7.811) 8.690 10.234 ( -2.913 -1.111 -2.611) 4.067 10.254 ( 0.955 0.683 -0.684) 1.359 10.290 ( -0.053 0.137 -3.155) 3.158 10.548 ( -0.488 -11.466 -0.405) 11.484 10.562 ( -0.765 -10.484 -2.054) 10.711 11.173 ( 3.976 12.400 -0.203) 13.023 11.206 ( 3.435 12.134 -3.302) 13.036 11.478 ( 0.070 -1.659 0.659) 1.786 11.501 ( -0.160 -2.217 -1.628) 2.756 12.242 ( 3.283 3.027 4.267) 6.176 12.313 ( 3.583 0.470 -3.237) 4.852 12.451 ( -3.207 1.584 4.074) 5.422 12.528 ( -2.360 -0.825 -4.140) 4.837 19.779 ( 2.051 2.032 3.678) 4.676 19.875 ( -0.572 2.038 -6.169) 6.522 19.903 ( 1.813 -2.185 4.268) 5.127 20.009 ( -0.862 -2.503 -6.536) 7.052 21.813 ( -0.262 2.111 3.090) 3.751 21.869 ( -0.428 1.078 -2.711) 2.949 22.011 ( -1.639 -2.048 2.844) 3.869 22.055 ( -2.010 -2.555 -1.608) 3.627 22.212 ( 9.285 2.945 3.635) 10.398 22.257 ( 10.045 1.415 -0.946) 10.188 22.807 ( -5.949 1.590 0.724) 6.200 22.823 ( -6.429 1.072 -1.160) 6.621 23.909 ( 17.044 0.761 4.391) 17.617 24.002 ( 16.697 -2.512 -5.424) 17.734 25.131 ( -18.606 -6.364 1.707) 19.738 25.162 ( -17.472 -7.220 -1.721) 18.983 26.551 ( 3.304 5.192 11.598) 13.129 26.719 ( 3.232 1.797 -5.084) 6.287 26.898 ( -6.260 8.215 10.439) 14.685 27.021 ( -2.110 1.780 -0.296) 2.776 27.201 ( -3.262 5.708 5.153) 8.353 27.365 ( -2.234 -1.498 -7.912) 8.357 27.621 ( -3.831 -8.123 6.065) 10.837 27.714 ( -2.204 -4.838 -4.101) 6.715 28.271 ( 6.546 1.253 9.280) 11.425 28.437 ( 4.848 -8.080 -2.905) 9.861 28.884 ( -7.259 7.955 -5.727) 12.197 28.999 ( -4.882 1.594 -13.897) 14.816 29.916 ( 3.954 4.025 7.964) 9.760 30.082 ( 2.040 -1.096 -9.105) 9.395 30.461 ( -12.700 -1.072 1.016) 12.786 30.478 ( -13.706 -1.016 -0.926) 13.775 30.901 ( 9.044 2.125 4.835) 10.473 31.021 ( 8.842 -2.011 -7.530) 11.787 31.420 ( -6.616 0.062 2.719) 7.154 31.477 ( -4.777 -1.788 -3.479) 6.174 32.662 ( -2.863 0.848 4.254) 5.197 32.721 ( -1.746 -0.893 1.257) 2.329 32.742 ( -3.866 0.484 -1.180) 4.072 32.786 ( -2.420 -0.745 -2.528) 3.578 35.011 ( 3.785 1.463 3.733) 5.514 35.078 ( 1.446 1.758 -3.130) 3.870 35.170 ( 7.140 -3.800 5.319) 9.681 35.271 ( 3.903 -4.716 -5.139) 7.992 35.872 ( 27.147 1.720 1.223) 27.229 35.898 ( 27.950 1.224 -1.385) 28.011 35.964 ( 22.610 1.492 3.262) 22.893 36.031 ( 22.372 -0.538 -3.556) 22.659 37.462 ( -17.985 -0.206 3.993) 18.424 37.478 ( -17.840 -1.066 3.614) 18.234 37.568 ( -18.821 1.961 -0.562) 18.931 37.601 ( -18.925 0.450 -2.703) 19.123 47.333 ( 1.520 0.103 10.685) 10.793 47.375 ( 1.768 0.010 12.207) 12.335 47.435 ( -1.185 -2.746 4.728) 5.594 47.473 ( -1.249 -3.832 7.889) 8.859 47.653 ( 2.947 1.288 -9.829) 10.341 47.673 ( 1.349 0.924 -7.934) 8.101 47.783 ( -1.946 3.568 -5.355) 6.722 47.843 ( -2.686 1.297 -9.112) 9.588 49.786 ( 1.560 1.373 0.772) 2.217 49.799 ( 1.485 1.245 -0.589) 2.025 49.969 ( -1.420 -1.419 1.457) 2.481 49.995 ( -1.786 -1.984 -1.297) 2.968 73.716 ( 4.822 1.906 20.601) 21.244 73.954 ( 6.989 -8.633 12.667) 16.847 74.014 ( -3.057 1.096 17.150) 17.454 74.139 ( 2.940 -2.787 -7.848) 8.832 74.694 ( -1.560 13.848 -12.593) 18.783 74.776 ( 3.630 7.997 -19.779) 21.641 75.329 ( -11.761 -13.705 10.142) 20.713 75.645 ( -11.644 -19.003 -19.680) 29.732 76.954 ( -2.158 13.819 4.801) 14.787 77.015 ( -3.113 11.295 -1.148) 11.773 77.373 ( -0.530 0.263 2.611) 2.677 77.426 ( -2.717 -3.599 -2.351) 5.085 78.415 ( 1.512 12.213 6.477) 13.906 78.549 ( -3.347 12.922 -7.204) 15.168 79.312 ( 9.050 -16.984 3.375) 19.538 79.460 ( 4.298 -16.579 -11.692) 20.738 85.272 ( -0.125 6.238 3.311) 7.063 85.316 ( -1.366 5.675 -0.931) 5.911 85.666 ( 0.557 -9.730 -0.941) 9.791 85.695 ( -0.105 -10.039 -3.866) 10.758 86.535 ( 11.298 13.240 2.204) 17.544 86.562 ( 11.855 12.816 -0.568) 17.467 87.889 ( -12.950 -5.332 5.407) 15.012 87.941 ( -13.226 -6.824 -0.021) 14.883 102.799 ( 1.606 1.851 1.406) 2.825 102.829 ( 1.071 2.445 -1.726) 3.178 102.911 ( 1.025 -1.427 3.477) 3.896 102.968 ( -0.465 -1.717 -1.725) 2.478 102.999 ( -0.656 1.168 0.328) 1.379 103.010 ( -0.878 1.185 -0.593) 1.589 103.073 ( 0.329 -1.257 -1.184) 1.758 103.089 ( 0.105 -1.510 -2.581) 2.992 ======================= Grid point 150 (56/60) ======================= q-point: ( 0.43 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 11.549 -0.622 4.426) 12.384 1.862 ( 8.265 -2.397 1.954) 8.824 1.940 ( 3.065 -0.225 6.333) 7.040 1.985 ( -1.367 -0.849 2.312) 2.817 2.064 ( 0.185 2.539 -1.792) 3.113 2.080 ( 1.534 2.729 -4.048) 5.118 2.182 ( -11.604 2.496 1.084) 11.918 2.228 ( -12.711 1.157 -2.825) 13.073 2.603 ( 0.619 -1.298 4.765) 4.978 2.631 ( -1.770 -1.549 1.924) 3.038 2.765 ( -2.863 -5.626 4.571) 7.794 2.774 ( -3.481 -6.275 3.686) 8.068 3.409 ( 0.404 1.063 0.464) 1.228 3.441 ( -2.846 -0.303 -2.528) 3.819 3.566 ( 0.810 -2.038 -1.128) 2.466 3.581 ( -1.638 -1.575 -2.668) 3.505 3.684 ( -1.157 7.277 -0.894) 7.423 3.724 ( -3.965 5.938 -4.199) 8.283 3.986 ( 1.694 7.613 2.321) 8.137 4.024 ( -1.869 4.177 -1.838) 4.931 4.085 ( 3.107 -3.668 0.286) 4.816 4.118 ( 0.390 -0.061 -2.274) 2.308 4.522 ( 1.931 3.669 -1.074) 4.283 4.554 ( -1.180 2.880 -4.055) 5.112 4.635 ( 6.082 -8.488 3.340) 10.963 4.707 ( 2.258 -10.049 -3.505) 10.880 4.840 ( -1.281 -4.574 1.247) 4.911 4.883 ( -3.100 -5.419 -2.646) 6.780 5.094 ( 1.209 5.493 1.164) 5.743 5.112 ( -0.980 5.491 -0.985) 5.664 5.292 ( 0.811 -0.556 1.616) 1.891 5.326 ( -2.512 -1.616 -1.794) 3.484 5.497 ( 6.075 3.988 4.495) 8.545 5.575 ( 3.021 3.995 -3.447) 6.080 5.654 ( -3.486 1.870 3.796) 5.483 5.712 ( -3.421 0.400 -1.616) 3.804 5.864 ( 4.568 -4.214 1.259) 6.341 5.892 ( 6.448 -2.905 -0.219) 7.075 5.992 ( -1.125 -9.595 2.876) 10.080 6.066 ( -4.596 -7.895 -4.131) 10.026 6.412 ( 3.351 7.337 1.535) 8.210 6.434 ( 2.216 6.901 -0.767) 7.288 6.606 ( -3.435 4.645 1.644) 6.007 6.628 ( -4.796 4.038 -0.750) 6.314 7.342 ( 1.245 -1.498 2.077) 2.847 7.381 ( -2.591 -1.532 -1.816) 3.515 7.510 ( -0.544 -6.214 0.813) 6.290 7.532 ( -2.741 -5.664 -1.363) 6.438 7.826 ( 1.801 3.353 2.452) 4.528 7.848 ( -0.305 3.277 0.338) 3.309 7.922 ( -0.169 0.560 2.374) 2.445 7.936 ( -1.194 0.414 1.250) 1.778 8.575 ( 2.586 3.943 2.180) 5.195 8.612 ( -0.732 3.250 -1.539) 3.670 8.750 ( -0.971 -2.329 0.034) 2.523 8.780 ( -3.576 -3.029 -2.954) 5.540 9.952 ( 4.339 1.842 7.856) 9.162 10.036 ( -4.245 1.856 7.658) 8.950 10.070 ( 4.029 -2.534 -4.197) 6.346 10.154 ( -4.543 -2.066 -4.279) 6.574 10.277 ( 0.998 0.816 -0.063) 1.291 10.289 ( -0.244 0.689 -1.305) 1.496 10.548 ( 0.319 -13.956 -0.527) 13.969 10.554 ( -0.268 -13.516 -1.204) 13.572 11.238 ( 2.331 12.047 -0.444) 12.278 11.252 ( 0.983 11.972 -1.770) 12.142 11.482 ( 0.344 -0.530 -0.461) 0.782 11.492 ( -0.642 -0.739 -1.522) 1.810 12.310 ( 3.752 2.428 4.479) 6.328 12.381 ( -2.050 1.652 3.015) 4.003 12.392 ( 2.488 -0.161 -2.278) 3.377 12.468 ( -3.761 -0.909 -4.338) 5.813 19.820 ( 2.094 2.093 0.522) 3.006 19.855 ( -1.479 2.155 -3.141) 4.086 19.944 ( 2.228 -2.274 1.161) 3.389 19.984 ( -1.756 -2.366 -2.946) 4.167 21.820 ( 0.999 2.536 1.356) 3.044 21.847 ( -1.588 2.409 -1.467) 3.237 21.996 ( 0.211 -3.730 1.693) 4.102 22.016 ( -1.720 -3.536 -0.413) 3.954 22.411 ( 10.396 3.796 2.653) 11.381 22.453 ( 8.896 2.638 -1.677) 9.429 22.659 ( -8.120 1.007 2.000) 8.423 22.683 ( -7.903 0.550 -0.535) 7.940 24.283 ( 20.949 -0.286 3.544) 21.248 24.361 ( 19.287 -2.853 -4.643) 20.042 24.736 ( -21.000 -3.926 2.845) 21.552 24.790 ( -20.270 -5.667 -2.864) 21.241 26.632 ( 5.049 6.584 11.146) 13.895 26.735 ( -4.565 7.725 7.089) 11.436 26.838 ( 3.321 3.475 -1.867) 5.157 26.938 ( -5.728 4.348 -5.818) 9.250 27.213 ( 3.810 -0.485 8.801) 9.602 27.304 ( -4.531 -1.927 2.061) 5.338 27.581 ( 0.819 -12.554 0.995) 12.620 27.642 ( -4.448 -10.600 -3.556) 12.033 28.418 ( 8.166 8.391 -0.034) 11.709 28.521 ( 0.497 5.474 -9.740) 11.184 28.775 ( -0.953 0.243 1.814) 2.063 28.872 ( -7.728 -1.894 -7.758) 11.113 30.022 ( 7.305 2.749 5.688) 9.658 30.138 ( 3.361 -0.650 -5.621) 6.581 30.214 ( -10.713 0.342 1.342) 10.802 30.268 ( -8.416 -1.147 -3.754) 9.286 31.079 ( 8.795 1.933 4.621) 10.121 31.171 ( 3.976 0.075 -3.921) 5.585 31.298 ( -3.600 -1.704 1.397) 4.221 31.370 ( -6.251 -2.845 -5.133) 8.574 32.634 ( 0.069 1.493 1.828) 2.361 32.663 ( -2.785 1.438 -1.260) 3.378 32.724 ( 0.560 -1.515 1.682) 2.332 32.746 ( -1.682 -1.361 -0.715) 2.279 35.063 ( 1.811 2.440 0.949) 3.183 35.084 ( -0.449 2.605 -1.264) 2.930 35.264 ( 2.954 -4.655 1.594) 5.739 35.296 ( -0.461 -4.872 -1.778) 5.206 36.392 ( 24.215 2.007 2.208) 24.398 36.435 ( 23.073 2.005 -2.094) 23.254 36.455 ( 25.666 -0.279 3.629) 25.923 36.517 ( 23.777 -0.859 -2.714) 23.946 37.080 ( -18.470 0.119 3.484) 18.797 37.092 ( -19.432 -0.428 3.583) 19.764 37.153 ( -22.227 1.260 -1.052) 22.287 37.179 ( -23.184 0.174 -2.463) 23.315 47.366 ( 1.855 -0.396 9.660) 9.844 47.399 ( -0.939 -1.085 8.521) 8.640 47.417 ( 0.990 -1.730 10.257) 10.449 47.447 ( -1.508 -3.189 9.038) 9.702 47.704 ( 1.892 1.703 -8.205) 8.590 47.717 ( 3.436 1.353 -9.433) 10.130 47.743 ( -2.123 2.669 -7.122) 7.896 47.784 ( -3.380 1.269 -9.344) 10.017 49.815 ( 1.246 1.862 0.626) 2.326 49.823 ( 0.634 1.902 -0.141) 2.010 49.949 ( -0.414 -2.156 0.600) 2.275 49.961 ( -1.531 -2.284 -0.709) 2.840 73.820 ( 5.758 2.546 20.902) 21.829 73.928 ( -5.221 2.623 19.779) 20.624 74.095 ( 6.379 -9.620 5.908) 12.967 74.169 ( -0.811 -7.234 -3.308) 7.996 74.693 ( 2.584 13.968 -4.617) 14.937 74.782 ( -4.338 8.814 -3.918) 10.576 75.230 ( 3.676 -10.252 -11.170) 15.601 75.407 ( -12.216 -13.617 -21.479) 28.213 76.941 ( 0.550 9.842 3.881) 10.594 76.966 ( -1.925 8.970 1.478) 9.293 77.367 ( 0.064 -1.690 0.226) 1.706 77.382 ( -1.624 -3.205 -1.176) 3.781 78.449 ( 2.006 14.686 1.928) 14.947 78.492 ( -2.540 14.843 -2.477) 15.261 79.450 ( 5.061 -18.367 -2.178) 19.176 79.501 ( -0.206 -18.316 -7.405) 19.757 85.275 ( 0.479 6.212 2.748) 6.810 85.291 ( -1.120 6.021 1.239) 6.249 85.678 ( 0.654 -10.126 -2.913) 10.557 85.689 ( -0.489 -10.307 -4.051) 11.085 86.740 ( 8.016 18.430 2.187) 20.217 86.760 ( 6.436 18.438 0.036) 19.529 87.677 ( -6.684 -11.037 4.270) 13.591 87.706 ( -9.127 -11.367 1.227) 14.629 102.829 ( 1.278 1.901 0.637) 2.377 102.842 ( 0.036 2.188 -0.715) 2.302 102.932 ( 1.177 -1.675 2.218) 3.019 102.954 ( -0.976 -1.664 0.271) 1.948 102.990 ( -0.171 1.494 0.023) 1.504 102.994 ( -0.612 1.534 -0.454) 1.713 103.081 ( 0.420 -1.627 -1.990) 2.604 103.087 ( -0.231 -1.750 -2.597) 3.140 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 0.000 -3.148 5.858) 6.651 1.688 ( 0.000 3.148 5.858) 6.651 1.725 ( 0.000 -2.177 8.027) 8.317 1.725 ( 0.000 2.177 8.027) 8.317 2.101 ( 0.000 -0.750 -6.448) 6.491 2.101 ( 0.000 0.750 -6.448) 6.491 2.522 ( 0.000 -1.578 -0.538) 1.667 2.522 ( 0.000 1.578 -0.538) 1.667 2.873 ( 0.000 -0.126 3.575) 3.577 2.873 ( 0.000 0.126 3.575) 3.577 2.947 ( 0.000 -0.250 -0.473) 0.535 2.947 ( 0.000 0.250 -0.473) 0.535 3.667 ( 0.000 -6.219 2.975) 6.894 3.667 ( 0.000 6.219 2.975) 6.894 3.748 ( 0.000 -1.559 3.688) 4.004 3.748 ( 0.000 1.559 3.688) 4.004 3.818 ( 0.000 -3.710 2.763) 4.626 3.818 ( 0.000 3.710 2.763) 4.626 3.948 ( 0.000 -3.864 -9.605) 10.353 3.948 ( 0.000 3.864 -9.605) 10.353 4.024 ( 0.000 -1.426 -1.591) 2.137 4.024 ( 0.000 1.426 -1.591) 2.137 4.263 ( 0.000 -2.101 -2.023) 2.917 4.263 ( 0.000 2.101 -2.023) 2.917 4.627 ( 0.000 -0.663 -1.820) 1.937 4.627 ( 0.000 0.663 -1.820) 1.937 4.950 ( 0.000 -0.143 0.903) 0.915 4.950 ( 0.000 0.143 0.903) 0.915 5.021 ( 0.000 -6.404 2.353) 6.822 5.021 ( 0.000 6.404 2.353) 6.822 5.268 ( 0.000 -8.017 -2.598) 8.427 5.268 ( 0.000 8.017 -2.598) 8.427 5.433 ( 0.000 -2.461 -0.336) 2.484 5.433 ( 0.000 2.461 -0.336) 2.484 5.507 ( 0.000 -3.699 1.008) 3.834 5.507 ( 0.000 3.699 1.008) 3.834 5.793 ( 0.000 -2.801 4.053) 4.926 5.793 ( 0.000 2.801 4.053) 4.926 5.916 ( 0.000 -1.100 -6.063) 6.162 5.916 ( 0.000 1.100 -6.063) 6.162 6.620 ( 0.000 -3.803 0.315) 3.816 6.620 ( 0.000 3.803 0.315) 3.816 6.696 ( 0.000 -3.946 -1.683) 4.290 6.696 ( 0.000 3.946 -1.683) 4.290 7.594 ( 0.000 -4.400 7.394) 8.604 7.594 ( 0.000 4.400 7.394) 8.604 7.686 ( 0.000 -4.313 -1.495) 4.565 7.686 ( 0.000 4.313 -1.495) 4.565 7.837 ( 0.000 -0.991 0.174) 1.006 7.837 ( 0.000 0.991 0.174) 1.006 7.949 ( 0.000 -1.607 1.521) 2.213 7.949 ( 0.000 1.607 1.521) 2.213 8.482 ( 0.000 -2.521 0.914) 2.681 8.482 ( 0.000 2.521 0.914) 2.681 8.735 ( 0.000 -3.031 -2.030) 3.648 8.735 ( 0.000 3.031 -2.030) 3.648 9.876 ( 0.000 -3.094 2.606) 4.046 9.876 ( 0.000 3.094 2.606) 4.046 10.192 ( 0.000 -0.862 4.430) 4.513 10.192 ( 0.000 0.862 4.430) 4.513 10.296 ( 0.000 -1.489 -2.897) 3.257 10.296 ( 0.000 1.489 -2.897) 3.257 10.552 ( 0.000 -0.936 -2.759) 2.913 10.552 ( 0.000 0.936 -2.759) 2.913 11.298 ( 0.000 -1.056 -2.831) 3.021 11.298 ( 0.000 1.056 -2.831) 3.021 11.378 ( 0.000 -0.018 -1.123) 1.124 11.378 ( 0.000 0.018 -1.123) 1.124 12.227 ( 0.000 -1.722 0.792) 1.896 12.227 ( 0.000 1.722 0.792) 1.896 12.559 ( 0.000 -0.692 0.157) 0.710 12.559 ( 0.000 0.692 0.157) 0.710 19.794 ( 0.000 -3.163 6.671) 7.383 19.794 ( 0.000 3.163 6.671) 7.383 19.949 ( 0.000 -3.259 -9.239) 9.797 19.949 ( 0.000 3.259 -9.239) 9.797 21.868 ( 0.000 -0.724 0.648) 0.972 21.868 ( 0.000 0.724 0.648) 0.972 22.013 ( 0.000 -1.461 5.269) 5.468 22.013 ( 0.000 1.461 5.269) 5.468 22.099 ( 0.000 -0.966 -2.818) 2.979 22.099 ( 0.000 0.966 -2.818) 2.979 22.951 ( 0.000 -1.050 -1.016) 1.461 22.951 ( 0.000 1.050 -1.016) 1.461 23.599 ( 0.000 -2.223 -0.323) 2.246 23.599 ( 0.000 2.223 -0.323) 2.246 25.395 ( 0.000 -0.335 0.038) 0.337 25.395 ( 0.000 0.335 0.038) 0.337 26.606 ( 0.000 -4.717 6.895) 8.354 26.606 ( 0.000 4.717 6.895) 8.354 27.052 ( 0.000 -3.304 -1.913) 3.818 27.052 ( 0.000 3.304 -1.913) 3.818 27.569 ( 0.000 -3.819 5.754) 6.906 27.569 ( 0.000 3.819 5.754) 6.906 27.717 ( 0.000 -0.362 -3.690) 3.707 27.717 ( 0.000 0.362 -3.690) 3.707 28.061 ( 0.000 -7.729 7.272) 10.612 28.061 ( 0.000 7.729 7.272) 10.612 29.117 ( 0.000 -0.400 -12.120) 12.127 29.117 ( 0.000 0.400 -12.120) 12.127 29.982 ( 0.000 -5.365 0.482) 5.386 29.982 ( 0.000 5.365 0.482) 5.386 30.666 ( 0.000 -3.603 -3.415) 4.964 30.666 ( 0.000 3.603 -3.415) 4.964 30.884 ( 0.000 -1.495 1.148) 1.885 30.884 ( 0.000 1.495 1.148) 1.885 31.560 ( 0.000 -0.432 -0.728) 0.846 31.560 ( 0.000 0.432 -0.728) 0.846 32.763 ( 0.000 -0.404 3.772) 3.794 32.763 ( 0.000 0.404 3.772) 3.794 32.877 ( 0.000 -0.207 -2.470) 2.479 32.877 ( 0.000 0.207 -2.470) 2.479 34.822 ( 0.000 -0.396 4.498) 4.516 34.822 ( 0.000 0.396 4.498) 4.516 34.948 ( 0.000 -0.959 -1.915) 2.142 34.948 ( 0.000 0.959 -1.915) 2.142 35.379 ( 0.000 -1.336 -1.862) 2.291 35.379 ( 0.000 1.336 -1.862) 2.291 35.609 ( 0.000 -0.590 -0.495) 0.770 35.609 ( 0.000 0.590 -0.495) 0.770 37.819 ( 0.000 -0.103 3.244) 3.246 37.819 ( 0.000 0.103 3.244) 3.246 37.982 ( 0.000 -0.768 -0.746) 1.071 37.982 ( 0.000 0.768 -0.746) 1.071 47.329 ( 0.000 -1.839 10.221) 10.385 47.329 ( 0.000 1.839 10.221) 10.385 47.427 ( 0.000 -2.410 6.591) 7.018 47.427 ( 0.000 2.410 6.591) 7.018 47.626 ( 0.000 -1.459 -10.517) 10.618 47.626 ( 0.000 1.459 -10.517) 10.618 47.900 ( 0.000 -1.674 -4.711) 5.000 47.900 ( 0.000 1.674 -4.711) 5.000 49.772 ( 0.000 -0.461 -0.012) 0.461 49.772 ( 0.000 0.461 -0.012) 0.461 49.998 ( 0.000 -0.868 0.180) 0.886 49.998 ( 0.000 0.868 0.180) 0.886 73.666 ( 0.000 -3.888 17.961) 18.377 73.666 ( 0.000 3.888 17.961) 18.377 74.054 ( 0.000 -0.265 -5.689) 5.696 74.054 ( 0.000 0.265 -5.689) 5.696 74.947 ( 0.000 -9.077 -2.383) 9.385 74.947 ( 0.000 9.077 -2.383) 9.385 75.405 ( 0.000 -12.535 -11.367) 16.921 75.405 ( 0.000 12.535 -11.367) 16.921 77.354 ( 0.000 -1.964 -1.409) 2.417 77.354 ( 0.000 1.964 -1.409) 2.417 77.400 ( 0.000 -4.438 1.166) 4.589 77.400 ( 0.000 4.438 1.166) 4.589 78.644 ( 0.000 -14.678 10.704) 18.166 78.644 ( 0.000 14.678 10.704) 18.166 78.969 ( 0.000 -14.332 -12.430) 18.971 78.969 ( 0.000 14.332 -12.430) 18.971 85.449 ( 0.000 -7.869 2.015) 8.123 85.449 ( 0.000 7.869 2.015) 8.123 85.501 ( 0.000 -7.194 -3.157) 7.857 85.501 ( 0.000 7.194 -3.157) 7.857 86.399 ( 0.000 -0.280 1.324) 1.354 86.399 ( 0.000 0.280 1.324) 1.354 88.183 ( 0.000 -1.230 2.113) 2.445 88.183 ( 0.000 1.230 2.113) 2.445 102.810 ( 0.000 -1.860 2.173) 2.860 102.810 ( 0.000 1.860 2.173) 2.860 102.910 ( 0.000 -2.984 -2.919) 4.174 102.910 ( 0.000 2.984 -2.919) 4.174 103.038 ( 0.000 -0.840 0.630) 1.050 103.038 ( 0.000 0.840 0.630) 1.050 103.061 ( 0.000 -0.768 -1.393) 1.591 103.061 ( 0.000 0.768 -1.393) 1.591 ======================= Grid point 156 (58/60) ======================= q-point: ( 0.14 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -0.290 -2.094 5.393) 5.793 1.680 ( -0.290 2.094 5.393) 5.793 1.773 ( 4.685 -3.693 7.967) 9.953 1.773 ( 4.685 3.693 7.967) 9.953 2.101 ( -0.026 -0.748 -6.041) 6.087 2.101 ( -0.026 0.748 -6.041) 6.087 2.497 ( -2.541 -1.994 -0.681) 3.301 2.497 ( -2.541 1.994 -0.681) 3.301 2.848 ( -2.945 -1.492 3.845) 5.068 2.848 ( -2.945 1.492 3.845) 5.068 2.886 ( -6.300 -1.452 0.138) 6.467 2.886 ( -6.300 1.452 0.138) 6.467 3.593 ( -6.680 -2.259 0.302) 7.058 3.593 ( -6.680 2.259 0.302) 7.058 3.704 ( -4.722 -1.563 3.277) 5.956 3.704 ( -4.722 1.563 3.277) 5.956 3.797 ( -0.112 -4.211 2.460) 4.879 3.797 ( -0.112 4.211 2.460) 4.879 3.904 ( -1.000 -5.802 -7.441) 9.489 3.904 ( -1.000 5.802 -7.441) 9.489 4.144 ( 8.106 -1.880 -1.967) 8.551 4.144 ( 8.106 1.880 -1.967) 8.551 4.248 ( -0.960 -1.131 -2.148) 2.611 4.248 ( -0.960 1.131 -2.148) 2.611 4.713 ( 6.462 -1.556 -0.199) 6.650 4.713 ( 6.462 1.556 -0.199) 6.650 4.878 ( -5.391 -0.592 -1.288) 5.574 4.878 ( -5.391 0.592 -1.288) 5.574 5.065 ( 2.664 -4.060 2.212) 5.336 5.065 ( 2.664 4.060 2.212) 5.336 5.287 ( 2.114 -5.615 -0.651) 6.035 5.287 ( 2.114 5.615 -0.651) 6.035 5.463 ( -0.090 -3.223 3.013) 4.413 5.463 ( -0.090 3.223 3.013) 4.413 5.514 ( 4.090 -4.083 -3.332) 6.671 5.514 ( 4.090 4.083 -3.332) 6.671 5.813 ( 0.974 -3.541 4.819) 6.059 5.813 ( 0.974 3.541 4.819) 6.059 5.921 ( 0.961 -3.437 -6.265) 7.211 5.921 ( 0.961 3.437 -6.265) 7.211 6.588 ( -2.947 -2.497 0.564) 3.903 6.588 ( -2.947 2.497 0.564) 3.903 6.698 ( -0.005 -2.579 -1.280) 2.880 6.698 ( -0.005 2.579 -1.280) 2.880 7.541 ( -5.233 -5.157 6.919) 10.093 7.541 ( -5.233 5.157 6.919) 10.093 7.653 ( -3.924 -3.985 -3.473) 6.583 7.653 ( -3.924 3.985 -3.473) 6.583 7.837 ( 0.849 -3.078 2.038) 3.788 7.837 ( 0.849 3.078 2.038) 3.788 7.929 ( -1.537 -1.804 1.162) 2.640 7.929 ( -1.537 1.804 1.162) 2.640 8.523 ( 3.698 -2.723 0.603) 4.631 8.523 ( 3.698 2.723 0.603) 4.631 8.740 ( 0.250 -2.535 -1.630) 3.025 8.740 ( 0.250 2.535 -1.630) 3.025 9.892 ( 1.634 -3.148 2.594) 4.394 9.892 ( 1.634 3.148 2.594) 4.394 10.196 ( 0.243 -1.705 4.818) 5.117 10.196 ( 0.243 1.705 4.818) 5.117 10.288 ( -0.762 -1.054 -3.608) 3.835 10.288 ( -0.762 1.054 -3.608) 3.835 10.506 ( -4.243 -0.893 -2.339) 4.927 10.506 ( -4.243 0.893 -2.339) 4.927 11.324 ( 2.413 -2.477 -2.326) 4.167 11.324 ( 2.413 2.477 -2.326) 4.167 11.392 ( 1.334 -1.787 -1.161) 2.514 11.392 ( 1.334 1.787 -1.161) 2.514 12.249 ( 2.175 -1.701 0.697) 2.848 12.249 ( 2.175 1.701 0.697) 2.848 12.542 ( -1.720 -1.322 0.062) 2.170 12.542 ( -1.720 1.322 0.062) 2.170 19.806 ( 1.234 -3.109 6.044) 6.908 19.806 ( 1.234 3.109 6.044) 6.908 19.948 ( -0.162 -3.276 -8.574) 9.180 19.948 ( -0.162 3.276 -8.574) 9.180 21.863 ( -0.266 -0.973 1.417) 1.740 21.863 ( -0.266 0.973 1.417) 1.740 22.045 ( 0.184 -0.430 1.715) 1.778 22.045 ( 0.184 0.430 1.715) 1.778 22.110 ( 4.033 -0.460 -0.223) 4.065 22.110 ( 4.033 0.460 -0.223) 4.065 22.922 ( -3.003 -0.814 -0.847) 3.224 22.922 ( -3.003 0.814 -0.847) 3.224 23.692 ( 9.355 -2.298 -0.343) 9.639 23.692 ( 9.355 2.298 -0.343) 9.639 25.304 ( -9.270 -0.549 -0.037) 9.286 25.304 ( -9.270 0.549 -0.037) 9.286 26.621 ( 1.756 -4.771 6.998) 8.649 26.621 ( 1.756 4.771 6.998) 8.649 27.049 ( -0.386 -3.164 -1.780) 3.650 27.049 ( -0.386 3.164 -1.780) 3.650 27.489 ( -7.179 -6.628 6.681) 11.836 27.489 ( -7.179 6.628 6.681) 11.836 27.674 ( -4.758 -4.793 -4.392) 8.056 27.674 ( -4.758 4.793 -4.392) 8.056 28.130 ( 7.047 -5.074 5.788) 10.436 28.130 ( 7.047 5.074 5.788) 10.436 29.094 ( -2.660 -0.986 -11.379) 11.727 29.094 ( -2.660 0.986 -11.379) 11.727 29.989 ( 0.858 -5.109 0.451) 5.200 29.989 ( 0.858 5.109 0.451) 5.200 30.654 ( -5.014 -2.363 -1.543) 5.754 30.654 ( -5.014 2.363 -1.543) 5.754 30.849 ( 0.712 -2.081 -0.675) 2.300 30.849 ( 0.712 2.081 -0.675) 2.300 31.527 ( -3.344 -0.625 -0.609) 3.455 31.527 ( -3.344 0.625 -0.609) 3.455 32.735 ( -2.472 -0.699 4.070) 4.813 32.735 ( -2.472 0.699 4.070) 4.813 32.837 ( -3.632 -0.180 -2.909) 4.656 32.837 ( -3.632 0.180 -2.909) 4.656 34.917 ( 8.422 -1.199 5.471) 10.114 34.917 ( 8.422 1.199 5.471) 10.114 35.060 ( 8.102 -1.857 -4.043) 9.244 35.060 ( 8.102 1.857 -4.043) 9.244 35.489 ( 13.214 -1.199 -0.484) 13.277 35.489 ( 13.214 1.199 -0.484) 13.277 35.695 ( 9.701 -1.497 -0.722) 9.843 35.695 ( 9.701 1.497 -0.722) 9.843 37.727 ( -9.478 -0.197 3.334) 10.050 37.727 ( -9.478 0.197 3.334) 10.050 37.884 ( -10.096 -0.753 -0.942) 10.167 37.884 ( -10.096 0.753 -0.942) 10.167 47.336 ( 0.683 -1.850 10.056) 10.248 47.336 ( 0.683 1.850 10.056) 10.248 47.424 ( -0.360 -2.130 6.732) 7.070 47.424 ( -0.360 2.130 6.732) 7.070 47.639 ( 1.340 -1.208 -10.225) 10.383 47.639 ( 1.340 1.208 -10.225) 10.383 47.885 ( -1.459 -1.610 -4.954) 5.410 47.885 ( -1.459 1.610 -4.954) 5.410 49.783 ( 1.129 -0.457 0.009) 1.218 49.783 ( 1.129 0.457 0.009) 1.218 49.987 ( -1.148 -0.861 0.163) 1.444 49.987 ( -1.148 0.861 0.163) 1.444 73.700 ( 3.455 -4.251 18.058) 18.870 73.700 ( 3.455 4.251 18.058) 18.870 74.063 ( 0.723 -0.968 -3.629) 3.825 74.063 ( 0.723 0.968 -3.629) 3.825 74.935 ( -0.980 -8.121 -3.440) 8.874 74.935 ( -0.980 8.121 -3.440) 8.874 75.355 ( -5.029 -13.151 -12.047) 18.530 75.355 ( -5.029 13.151 -12.047) 18.530 77.312 ( -3.858 -5.346 0.518) 6.613 77.312 ( -3.858 5.346 0.518) 6.613 77.359 ( -3.715 -5.960 0.183) 7.025 77.359 ( -3.715 5.960 0.183) 7.025 78.704 ( 5.502 -16.699 8.515) 19.536 78.704 ( 5.502 16.699 8.515) 19.536 78.981 ( 1.048 -16.656 -11.044) 20.012 78.981 ( 1.048 16.656 -11.044) 20.012 85.449 ( -0.061 -8.183 1.635) 8.345 85.449 ( -0.061 8.183 1.635) 8.345 85.496 ( -0.520 -7.570 -3.093) 8.194 85.496 ( -0.520 7.570 -3.093) 8.194 86.488 ( 9.048 -0.460 1.311) 9.154 86.488 ( 9.048 0.460 1.311) 9.154 88.084 ( -9.966 -1.271 2.251) 10.295 88.084 ( -9.966 1.271 2.251) 10.295 102.821 ( 1.038 -1.875 2.110) 3.008 102.821 ( 1.038 1.875 2.110) 3.008 102.913 ( 0.230 -2.901 -2.674) 3.952 102.913 ( 0.230 2.901 -2.674) 3.952 103.035 ( -0.283 -0.856 0.506) 1.034 103.035 ( -0.283 0.856 0.506) 1.034 103.059 ( -0.251 -0.879 -1.419) 1.688 103.059 ( -0.251 0.879 -1.419) 1.688 ======================= Grid point 158 (59/60) ======================= q-point: ( 0.29 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 3.929 -1.272 5.482) 6.863 1.707 ( 3.929 1.272 5.482) 6.863 1.880 ( 5.647 -3.454 5.829) 8.820 1.880 ( 5.647 3.454 5.829) 8.820 2.100 ( -0.028 -0.644 -4.653) 4.698 2.100 ( -0.028 0.644 -4.653) 4.698 2.419 ( -6.340 -2.082 -0.723) 6.712 2.419 ( -6.340 2.082 -0.723) 6.712 2.700 ( -9.670 -1.950 1.927) 10.051 2.700 ( -9.670 1.950 1.927) 10.051 2.781 ( -5.129 -0.924 3.395) 6.220 2.781 ( -5.129 0.924 3.395) 6.220 3.488 ( -3.231 -1.631 -0.944) 3.741 3.488 ( -3.231 1.631 -0.944) 3.741 3.591 ( -5.784 -1.619 -0.262) 6.013 3.591 ( -5.784 1.619 -0.262) 6.013 3.826 ( 2.179 -5.571 0.801) 6.036 3.826 ( 2.179 5.571 0.801) 6.036 3.908 ( 0.793 -5.135 -3.932) 6.516 3.908 ( 0.793 5.135 -3.932) 6.516 4.225 ( 0.732 -6.417 0.039) 6.458 4.225 ( 0.732 6.417 0.039) 6.458 4.321 ( 8.390 -4.206 -3.622) 10.060 4.321 ( 8.390 4.206 -3.622) 10.060 4.725 ( -7.018 -2.414 0.744) 7.459 4.725 ( -7.018 2.414 0.744) 7.459 4.823 ( 0.611 -2.894 -1.927) 3.530 4.823 ( 0.611 2.894 -1.927) 3.530 5.124 ( 3.716 -2.219 0.643) 4.376 5.124 ( 3.716 2.219 0.643) 4.376 5.310 ( -1.268 -2.520 0.195) 2.828 5.310 ( -1.268 2.520 0.195) 2.828 5.493 ( 5.666 -4.214 3.910) 8.072 5.493 ( 5.666 4.214 3.910) 8.072 5.627 ( 5.263 -2.520 -2.706) 6.432 5.627 ( 5.263 2.520 -2.706) 6.432 5.805 ( -1.036 -3.299 2.554) 4.299 5.805 ( -1.036 3.299 2.554) 4.299 5.951 ( 1.003 -4.576 -3.792) 6.027 5.951 ( 1.003 4.576 -3.792) 6.027 6.537 ( -1.470 -1.399 1.182) 2.348 6.537 ( -1.470 1.399 1.182) 2.348 6.684 ( -1.644 -1.411 -0.572) 2.240 6.684 ( -1.644 1.411 -0.572) 2.240 7.423 ( -5.737 -4.362 4.070) 8.276 7.423 ( -5.737 4.362 4.070) 8.276 7.546 ( -6.577 -3.351 -3.438) 8.143 7.546 ( -6.577 3.351 -3.438) 8.143 7.870 ( 1.955 -3.400 3.290) 5.119 7.870 ( 1.955 3.400 3.290) 5.119 7.910 ( -0.205 -2.229 0.673) 2.337 7.910 ( -0.205 2.229 0.673) 2.337 8.600 ( 3.883 -2.491 0.008) 4.614 8.600 ( 3.883 2.491 0.008) 4.614 8.734 ( -0.905 -1.767 -1.073) 2.257 8.734 ( -0.905 1.767 -1.073) 2.257 9.938 ( 3.075 -3.095 2.523) 5.039 9.938 ( 3.075 3.095 2.523) 5.039 10.179 ( -2.756 -3.716 3.744) 5.952 10.179 ( -2.756 3.716 3.744) 5.952 10.281 ( 0.633 -1.065 -3.232) 3.461 10.281 ( 0.633 1.065 -3.232) 3.461 10.420 ( -3.996 -0.963 -1.182) 4.277 10.420 ( -3.996 0.963 -1.182) 4.277 11.378 ( 2.926 -3.205 -1.584) 4.620 11.378 ( 2.926 3.205 -1.584) 4.620 11.422 ( 1.484 -2.630 -1.156) 3.233 11.422 ( 1.484 2.630 -1.156) 3.233 12.302 ( 3.123 -1.737 0.491) 3.607 12.302 ( 3.123 1.737 0.491) 3.607 12.495 ( -2.978 -2.001 -0.090) 3.589 12.495 ( -2.978 2.001 -0.090) 3.589 19.838 ( 2.071 -3.033 4.061) 5.475 19.838 ( 2.071 3.033 4.061) 5.475 19.940 ( -0.743 -3.257 -6.455) 7.269 19.940 ( -0.743 3.257 -6.455) 7.269 21.865 ( 0.600 -1.870 1.531) 2.491 21.865 ( 0.600 1.870 1.531) 2.491 22.001 ( -3.332 -1.584 -0.810) 3.778 22.001 ( -3.332 1.584 -0.810) 3.778 22.264 ( 10.297 -1.153 1.637) 10.490 22.264 ( 10.297 1.153 1.637) 10.490 22.834 ( -6.238 -0.399 -0.341) 6.260 22.834 ( -6.238 0.399 -0.341) 6.260 23.944 ( 16.363 -2.296 -0.397) 16.528 23.944 ( 16.363 2.296 -0.397) 16.528 25.052 ( -16.419 -0.848 -0.191) 16.442 25.052 ( -16.419 0.848 -0.191) 16.442 26.681 ( 4.525 -5.140 7.124) 9.882 26.681 ( 4.525 5.140 7.124) 9.882 27.026 ( -2.594 -3.163 0.204) 4.096 27.026 ( -2.594 3.163 0.204) 4.096 27.347 ( -6.005 -7.951 5.168) 11.225 27.347 ( -6.005 7.951 5.168) 11.225 27.544 ( -8.008 -8.251 -4.159) 12.227 27.544 ( -8.008 8.251 -4.159) 12.227 28.316 ( 11.703 -3.125 2.314) 12.332 28.316 ( 11.703 3.125 2.314) 12.332 29.000 ( -7.420 -2.255 -9.118) 11.969 29.000 ( -7.420 2.255 -9.118) 11.969 30.020 ( 2.520 -4.366 0.396) 5.056 30.020 ( 2.520 4.366 0.396) 5.056 30.455 ( -12.573 -0.665 -0.113) 12.591 30.455 ( -12.573 0.665 -0.113) 12.591 30.962 ( 8.718 -3.004 -1.941) 9.423 30.962 ( 8.718 3.004 -1.941) 9.423 31.436 ( -5.980 -1.492 -0.660) 6.199 31.436 ( -5.980 1.492 -0.660) 6.199 32.690 ( -1.712 -1.545 3.786) 4.433 32.690 ( -1.712 1.545 3.786) 4.433 32.763 ( -3.583 -1.162 -2.822) 4.707 32.763 ( -3.583 1.162 -2.822) 4.707 35.069 ( 6.077 -3.555 4.225) 8.211 35.069 ( 6.077 3.555 4.225) 8.211 35.159 ( 2.345 -4.368 -3.867) 6.287 35.159 ( 2.345 4.368 -3.867) 6.287 35.904 ( 27.568 -0.791 0.814) 27.591 35.904 ( 27.568 0.791 0.814) 27.591 36.004 ( 22.081 -1.762 -1.012) 22.174 36.004 ( 22.081 1.762 -1.012) 22.174 37.463 ( -17.675 -0.318 3.521) 18.026 37.463 ( -17.675 0.318 3.521) 18.026 37.600 ( -19.122 -0.727 -1.385) 19.186 37.600 ( -19.122 0.727 -1.385) 19.186 47.354 ( 1.086 -1.756 9.539) 9.760 47.354 ( 1.086 1.756 9.539) 9.760 47.413 ( -0.709 -1.444 7.161) 7.339 47.413 ( -0.709 1.444 7.161) 7.339 47.676 ( 2.431 -0.554 -9.370) 9.696 47.676 ( 2.431 0.554 -9.370) 9.696 47.846 ( -2.560 -1.398 -5.668) 6.374 47.846 ( -2.560 1.398 -5.668) 6.374 49.814 ( 2.044 -0.494 0.049) 2.104 49.814 ( 2.044 0.494 0.049) 2.104 49.955 ( -2.070 -0.822 0.129) 2.231 49.955 ( -2.070 0.822 0.129) 2.231 73.793 ( 5.911 -5.190 17.913) 19.564 73.793 ( 5.911 5.190 17.913) 19.564 74.067 ( -0.722 -3.152 2.693) 4.208 74.067 ( -0.722 3.152 2.693) 4.208 74.923 ( 0.279 -6.237 -7.149) 9.492 74.923 ( 0.279 6.237 -7.149) 9.492 75.227 ( -7.737 -13.846 -13.669) 20.938 75.227 ( -7.737 13.846 -13.669) 20.938 77.234 ( -3.469 -9.276 2.497) 10.213 77.234 ( -3.469 9.276 2.497) 10.213 77.278 ( -4.165 -8.891 -0.555) 9.834 77.278 ( -4.165 8.891 -0.555) 9.834 78.823 ( 6.219 -19.785 4.261) 21.172 78.823 ( 6.219 19.785 4.261) 21.172 78.997 ( 0.334 -20.140 -7.767) 21.588 78.997 ( 0.334 20.140 -7.767) 21.588 85.449 ( 0.111 -8.752 0.634) 8.776 85.449 ( 0.111 8.752 0.634) 8.776 85.482 ( -0.817 -8.337 -2.741) 8.814 85.482 ( -0.817 8.337 -2.741) 8.814 86.731 ( 15.739 -0.924 1.423) 15.830 86.731 ( 15.739 0.924 1.423) 15.830 87.819 ( -16.953 -1.444 2.411) 17.184 87.819 ( -16.953 1.444 2.411) 17.184 102.847 ( 1.624 -1.892 1.821) 3.088 102.847 ( 1.624 1.892 1.821) 3.088 102.915 ( -0.109 -2.578 -1.741) 3.112 102.915 ( -0.109 2.578 -1.741) 3.112 103.030 ( -0.145 -0.993 -0.019) 1.003 103.030 ( -0.145 0.993 -0.019) 1.003 103.052 ( -0.473 -1.071 -1.461) 1.872 103.052 ( -0.473 1.071 -1.461) 1.872 ======================= Grid point 160 (60/60) ======================= q-point: ( 0.43 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 9.004 -0.281 5.540) 10.575 1.840 ( 9.004 0.281 5.540) 10.575 1.950 ( 0.016 -1.597 4.063) 4.366 1.950 ( 0.016 1.597 4.063) 4.366 2.108 ( 1.569 -0.669 -3.062) 3.505 2.108 ( 1.569 0.669 -3.062) 3.505 2.228 ( -11.276 -1.279 -1.834) 11.496 2.228 ( -11.276 1.279 -1.834) 11.496 2.608 ( 0.528 -1.306 2.901) 3.225 2.608 ( 0.528 1.306 2.901) 3.225 2.675 ( -5.340 -0.310 3.548) 6.418 2.675 ( -5.340 0.310 3.548) 6.418 3.466 ( 0.567 -2.050 -1.139) 2.413 3.466 ( 0.567 2.050 -1.139) 2.413 3.503 ( -3.233 -1.905 -1.054) 3.898 3.503 ( -3.233 1.905 -1.054) 3.898 3.869 ( 2.300 -4.887 -1.550) 5.619 3.869 ( 2.300 4.887 -1.550) 5.619 3.907 ( -1.253 -4.369 -2.809) 5.343 3.907 ( -1.253 4.369 -2.809) 5.343 4.287 ( 6.033 -5.749 0.168) 8.335 4.287 ( 6.033 5.749 0.168) 8.335 4.410 ( -3.153 -5.185 -1.184) 6.182 4.410 ( -3.153 5.185 -1.184) 6.183 4.645 ( 3.220 -1.335 -1.582) 3.828 4.645 ( 3.220 1.336 -1.582) 3.828 4.770 ( -6.136 -1.947 -1.317) 6.571 4.770 ( -6.136 1.947 -1.317) 6.571 5.202 ( 4.037 -1.416 0.235) 4.284 5.202 ( 4.037 1.416 0.235) 4.284 5.267 ( -2.671 -1.740 0.386) 3.211 5.267 ( -2.671 1.740 0.386) 3.211 5.620 ( 5.242 -5.298 4.207) 8.559 5.620 ( 5.242 5.298 4.207) 8.559 5.673 ( -0.524 -2.019 0.958) 2.296 5.673 ( -0.524 2.019 0.958) 2.296 5.825 ( 3.973 -1.124 -1.295) 4.327 5.825 ( 3.973 1.124 -1.295) 4.327 5.921 ( -4.224 -4.048 -2.082) 6.210 5.921 ( -4.224 4.048 -2.082) 6.210 6.554 ( 3.155 -1.347 1.116) 3.608 6.554 ( 3.155 1.347 1.116) 3.608 6.630 ( -3.888 -1.293 0.251) 4.106 6.630 ( -3.888 1.293 0.251) 4.106 7.363 ( 0.104 -2.778 0.581) 2.840 7.363 ( 0.104 2.778 0.581) 2.840 7.423 ( -5.507 -2.368 -1.969) 6.310 7.423 ( -5.507 2.368 -1.969) 6.310 7.901 ( 1.217 -2.561 2.707) 3.920 7.901 ( 1.217 2.561 2.707) 3.920 7.913 ( 0.009 -2.132 1.534) 2.627 7.913 ( 0.009 2.132 1.534) 2.627 8.664 ( 2.702 -1.910 -0.510) 3.349 8.664 ( 2.702 1.910 -0.510) 3.349 8.707 ( -1.852 -1.541 -0.805) 2.540 8.707 ( -1.852 1.541 -0.805) 2.540 10.009 ( 4.246 -2.821 2.193) 5.549 10.009 ( 4.246 2.821 2.193) 5.549 10.098 ( -4.881 -3.115 1.937) 6.106 10.098 ( -4.881 3.115 1.937) 6.106 10.311 ( 2.175 -0.256 -1.191) 2.493 10.311 ( 2.175 0.256 -1.191) 2.493 10.358 ( -2.675 -0.608 -0.674) 2.825 10.358 ( -2.675 0.608 -0.674) 2.825 11.425 ( 1.728 -3.041 -1.198) 3.697 11.425 ( 1.728 3.041 -1.198) 3.697 11.440 ( 0.195 -2.802 -1.115) 3.022 11.440 ( 0.195 2.802 -1.115) 3.022 12.365 ( 3.408 -1.961 0.205) 3.937 12.365 ( 3.408 1.961 0.205) 3.937 12.432 ( -3.480 -2.179 -0.055) 4.106 12.432 ( -3.480 2.179 -0.055) 4.106 19.881 ( 2.185 -3.050 0.809) 3.838 19.881 ( 2.185 3.050 0.809) 3.838 19.918 ( -1.597 -3.155 -3.046) 4.667 19.918 ( -1.597 3.155 -3.046) 4.667 21.888 ( 1.881 -2.157 0.739) 2.956 21.888 ( 1.881 2.157 0.739) 2.956 21.937 ( -3.087 -2.005 -0.248) 3.689 21.937 ( -3.087 2.005 -0.248) 3.689 22.477 ( 11.328 -1.191 1.099) 11.444 22.477 ( 11.328 1.191 1.099) 11.444 22.681 ( -9.513 -0.761 0.379) 9.551 22.681 ( -9.513 0.761 0.379) 9.551 24.301 ( 20.116 -1.976 -0.409) 20.217 24.301 ( 20.116 1.976 -0.409) 20.217 24.694 ( -20.149 -1.383 -0.333) 20.199 24.694 ( -20.149 1.383 -0.333) 20.199 26.793 ( 6.861 -5.839 6.907) 11.352 26.793 ( 6.861 5.839 6.907) 11.352 26.931 ( -6.908 -5.641 5.041) 10.244 26.931 ( -6.908 5.641 5.041) 10.244 27.306 ( 1.830 -8.529 -0.241) 8.726 27.306 ( 1.830 8.529 -0.241) 8.726 27.395 ( -6.809 -8.960 -3.043) 11.658 27.395 ( -6.809 8.960 -3.043) 11.658 28.561 ( 13.355 -3.030 -1.569) 13.784 28.561 ( 13.355 3.030 -1.569) 13.784 28.810 ( -11.939 -3.045 -5.541) 13.509 28.810 ( -11.939 3.045 -5.541) 13.509 30.094 ( 5.402 -3.113 0.112) 6.236 30.094 ( 5.402 3.113 0.112) 6.236 30.236 ( -9.505 -1.469 -0.163) 9.619 30.236 ( -9.505 1.469 -0.163) 9.619 31.138 ( 9.106 -2.875 -1.487) 9.664 31.138 ( 9.106 2.875 -1.487) 9.664 31.302 ( -7.829 -2.363 -0.988) 8.237 31.302 ( -7.829 2.363 -0.988) 8.237 32.678 ( 0.465 -2.175 1.770) 2.842 32.678 ( 0.465 2.175 1.770) 2.842 32.706 ( -2.297 -2.013 -0.968) 3.204 32.706 ( -2.297 2.013 -0.968) 3.204 35.148 ( 2.490 -4.871 1.226) 5.606 35.148 ( 2.490 4.871 1.226) 5.606 35.175 ( -0.388 -5.135 -1.505) 5.365 35.175 ( -0.388 5.135 -1.505) 5.365 36.435 ( 24.540 -1.465 2.892) 24.753 36.435 ( 24.540 1.465 2.892) 24.753 36.484 ( 23.609 -1.980 -2.356) 23.808 36.484 ( 23.609 1.980 -2.356) 23.808 37.084 ( -18.540 -0.257 3.271) 18.828 37.084 ( -18.540 0.257 3.271) 18.828 37.176 ( -23.117 -0.619 -1.497) 23.174 37.176 ( -23.117 0.619 -1.497) 23.174 47.376 ( 1.160 -1.397 8.734) 8.920 47.376 ( 1.160 1.397 8.734) 8.920 47.397 ( -1.000 -1.035 7.866) 7.996 47.397 ( -1.000 1.035 7.866) 7.996 47.730 ( 3.061 -0.364 -8.113) 8.679 47.730 ( 3.061 0.364 -8.113) 8.679 47.790 ( -3.112 -0.984 -6.780) 7.524 47.790 ( -3.112 0.984 -6.780) 7.524 49.859 ( 2.565 -0.601 0.082) 2.635 49.859 ( 2.565 0.601 0.082) 2.635 49.910 ( -2.576 -0.729 0.102) 2.679 49.910 ( -2.576 0.729 0.102) 2.679 73.915 ( 6.389 -6.075 16.171) 18.418 73.915 ( 6.389 6.075 16.171) 18.418 74.021 ( -4.190 -5.572 10.914) 12.950 74.021 ( -4.190 5.572 10.914) 12.950 74.964 ( 4.114 -8.574 -12.217) 15.482 74.964 ( 4.114 8.574 -12.217) 15.482 75.077 ( -7.309 -12.458 -14.520) 20.480 75.077 ( -7.309 12.458 -14.520) 20.480 77.194 ( -0.558 -10.386 2.014) 10.594 77.194 ( -0.558 10.386 2.014) 10.594 77.213 ( -2.377 -10.184 0.463) 10.468 77.213 ( -2.377 10.185 0.463) 10.468 78.927 ( 4.273 -21.619 0.053) 22.037 78.927 ( 4.273 21.619 0.053) 22.037 78.985 ( -1.765 -21.840 -3.912) 22.258 78.985 ( -1.765 21.840 -3.912) 22.258 85.454 ( 0.472 -9.069 -0.673) 9.106 85.454 ( 0.472 9.069 -0.673) 9.106 85.467 ( -0.782 -8.927 -1.906) 9.162 85.467 ( -0.782 8.927 -1.906) 9.162 87.074 ( 19.375 -1.387 1.806) 19.508 87.074 ( 19.375 1.387 1.806) 19.508 87.458 ( -19.936 -1.567 2.248) 20.124 87.458 ( -19.936 1.567 2.248) 20.124 102.879 ( 1.593 -1.925 1.102) 2.730 102.879 ( 1.593 1.925 1.102) 2.730 102.905 ( -0.972 -2.136 -0.193) 2.355 102.905 ( -0.972 2.136 -0.193) 2.355 103.032 ( 0.347 -1.213 -0.872) 1.534 103.032 ( 0.347 1.213 -0.872) 1.534 103.041 ( -0.575 -1.222 -1.371) 1.925 103.041 ( -0.575 1.222 -1.371) 1.925 =================== 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 3/42336 10.0 86.924 70.423 84.639 0.000 0.000 -0.000 3/42336 20.0 26.491 21.813 26.540 0.000 0.000 0.000 3/42336 30.0 13.777 10.753 12.988 0.000 0.000 0.000 3/42336 40.0 8.369 6.335 7.669 0.000 0.000 0.000 3/42336 50.0 5.711 4.258 5.160 0.000 0.000 0.000 3/42336 60.0 4.239 3.142 3.796 0.000 0.000 0.000 3/42336 70.0 3.338 2.472 2.971 0.000 0.000 0.000 3/42336 80.0 2.740 2.035 2.429 0.000 0.000 0.000 3/42336 90.0 2.320 1.730 2.051 0.000 0.000 0.000 3/42336 100.0 2.010 1.508 1.773 0.000 0.000 0.000 3/42336 110.0 1.774 1.338 1.562 0.000 0.000 0.000 3/42336 120.0 1.587 1.205 1.397 0.000 0.000 0.000 3/42336 130.0 1.437 1.098 1.264 0.000 0.000 0.000 3/42336 140.0 1.314 1.009 1.155 0.000 0.000 0.000 3/42336 150.0 1.212 0.935 1.063 0.000 0.000 0.000 3/42336 160.0 1.125 0.871 0.986 0.000 0.000 0.000 3/42336 170.0 1.051 0.816 0.920 0.000 0.000 0.000 3/42336 180.0 0.987 0.769 0.863 0.000 0.000 0.000 3/42336 190.0 0.931 0.727 0.812 0.000 0.000 0.000 3/42336 200.0 0.882 0.689 0.768 0.000 0.000 0.000 3/42336 210.0 0.839 0.656 0.729 0.000 0.000 0.000 3/42336 220.0 0.800 0.626 0.693 0.000 0.000 0.000 3/42336 230.0 0.766 0.599 0.662 0.000 0.000 0.000 3/42336 240.0 0.734 0.574 0.633 0.000 0.000 0.000 3/42336 250.0 0.706 0.551 0.607 0.000 0.000 0.000 3/42336 260.0 0.680 0.530 0.583 0.000 0.000 0.000 3/42336 270.0 0.656 0.511 0.561 0.000 0.000 0.000 3/42336 280.0 0.635 0.493 0.541 0.000 0.000 0.000 3/42336 290.0 0.614 0.477 0.522 0.000 0.000 0.000 3/42336 300.0 0.596 0.461 0.505 0.000 0.000 0.000 3/42336 310.0 0.578 0.447 0.488 0.000 0.000 0.000 3/42336 320.0 0.562 0.433 0.473 0.000 0.000 0.000 3/42336 330.0 0.547 0.421 0.459 0.000 0.000 0.000 3/42336 340.0 0.533 0.409 0.446 0.000 0.000 0.000 3/42336 350.0 0.520 0.398 0.434 0.000 0.000 0.000 3/42336 360.0 0.507 0.387 0.422 0.000 0.000 0.000 3/42336 370.0 0.495 0.377 0.411 0.000 0.000 0.000 3/42336 380.0 0.484 0.367 0.400 0.000 0.000 0.000 3/42336 390.0 0.473 0.358 0.390 0.000 0.000 0.000 3/42336 400.0 0.462 0.350 0.381 0.000 0.000 0.000 3/42336 410.0 0.453 0.341 0.372 0.000 0.000 0.000 3/42336 420.0 0.443 0.333 0.363 0.000 0.000 0.000 3/42336 430.0 0.434 0.326 0.355 0.000 0.000 0.000 3/42336 440.0 0.426 0.319 0.347 0.000 0.000 0.000 3/42336 450.0 0.417 0.312 0.340 0.000 0.000 0.000 3/42336 460.0 0.410 0.305 0.333 0.000 0.000 0.000 3/42336 470.0 0.402 0.299 0.326 0.000 0.000 0.000 3/42336 480.0 0.395 0.293 0.319 0.000 0.000 0.000 3/42336 490.0 0.387 0.287 0.313 0.000 0.000 0.000 3/42336 500.0 0.381 0.282 0.307 0.000 0.000 0.000 3/42336 510.0 0.374 0.276 0.301 0.000 0.000 0.000 3/42336 520.0 0.368 0.271 0.296 0.000 0.000 0.000 3/42336 530.0 0.362 0.266 0.290 0.000 0.000 0.000 3/42336 540.0 0.356 0.261 0.285 0.000 0.000 0.000 3/42336 550.0 0.350 0.257 0.280 0.000 0.000 0.000 3/42336 560.0 0.344 0.252 0.275 0.000 0.000 0.000 3/42336 570.0 0.339 0.248 0.271 0.000 0.000 0.000 3/42336 580.0 0.333 0.244 0.266 0.000 0.000 0.000 3/42336 590.0 0.328 0.240 0.262 0.000 0.000 0.000 3/42336 600.0 0.323 0.236 0.257 0.000 0.000 0.000 3/42336 610.0 0.319 0.232 0.253 0.000 0.000 0.000 3/42336 620.0 0.314 0.228 0.249 0.000 0.000 0.000 3/42336 630.0 0.309 0.225 0.245 0.000 0.000 0.000 3/42336 640.0 0.305 0.221 0.242 0.000 0.000 0.000 3/42336 650.0 0.301 0.218 0.238 0.000 0.000 0.000 3/42336 660.0 0.296 0.215 0.235 0.000 0.000 0.000 3/42336 670.0 0.292 0.211 0.231 0.000 0.000 0.000 3/42336 680.0 0.288 0.208 0.228 0.000 0.000 0.000 3/42336 690.0 0.284 0.205 0.225 0.000 0.000 0.000 3/42336 700.0 0.281 0.203 0.222 0.000 0.000 0.000 3/42336 710.0 0.277 0.200 0.218 0.000 0.000 0.000 3/42336 720.0 0.273 0.197 0.215 0.000 0.000 0.000 3/42336 730.0 0.270 0.194 0.213 0.000 0.000 0.000 3/42336 740.0 0.267 0.192 0.210 0.000 0.000 0.000 3/42336 750.0 0.263 0.189 0.207 0.000 0.000 0.000 3/42336 760.0 0.260 0.187 0.204 0.000 0.000 0.000 3/42336 770.0 0.257 0.184 0.202 0.000 0.000 0.000 3/42336 780.0 0.254 0.182 0.199 0.000 0.000 0.000 3/42336 790.0 0.251 0.180 0.197 0.000 0.000 0.000 3/42336 800.0 0.248 0.178 0.194 0.000 0.000 0.000 3/42336 810.0 0.245 0.175 0.192 0.000 0.000 0.000 3/42336 820.0 0.242 0.173 0.190 0.000 0.000 0.000 3/42336 830.0 0.239 0.171 0.188 0.000 0.000 0.000 3/42336 840.0 0.236 0.169 0.185 0.000 0.000 0.000 3/42336 850.0 0.234 0.167 0.183 0.000 0.000 0.000 3/42336 860.0 0.231 0.165 0.181 0.000 0.000 0.000 3/42336 870.0 0.229 0.163 0.179 0.000 0.000 0.000 3/42336 880.0 0.226 0.162 0.177 0.000 0.000 0.000 3/42336 890.0 0.224 0.160 0.175 0.000 0.000 0.000 3/42336 900.0 0.221 0.158 0.173 0.000 0.000 0.000 3/42336 910.0 0.219 0.156 0.171 0.000 0.000 0.000 3/42336 920.0 0.217 0.155 0.170 0.000 0.000 0.000 3/42336 930.0 0.214 0.153 0.168 0.000 0.000 0.000 3/42336 940.0 0.212 0.151 0.166 0.000 0.000 0.000 3/42336 950.0 0.210 0.150 0.164 0.000 0.000 0.000 3/42336 960.0 0.208 0.148 0.163 0.000 0.000 0.000 3/42336 970.0 0.206 0.147 0.161 0.000 0.000 0.000 3/42336 980.0 0.204 0.145 0.159 0.000 0.000 0.000 3/42336 990.0 0.202 0.144 0.158 0.000 0.000 0.000 3/42336 1000.0 0.200 0.142 0.156 0.000 0.000 0.000 3/42336 Thermal conductivity related properties were written into "kappa-m749.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:57:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|