----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:25:34]------------------------- 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: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.357163930174900 0.000000000000000 0.000000000000000 b 0.000000000000000 6.172636050000002 0.000000000000000 c -1.933235150936299 0.000000000000000 7.390649009900588 Atomic positions (fractional): *1 Sr 0.39701664322747 0.25000000000000 0.85106689393055 87.620 2 Sr 0.60298335677253 0.75000000000000 0.14893310606946 87.620 *3 Sr 0.36901746776683 0.25000000000000 0.34269585347366 87.620 4 Sr 0.63098253223317 0.75000000000000 0.65730414652634 87.620 *5 Bi 0.88950164638653 0.25000000000000 0.96391557741277 208.980 6 Bi 0.11049835361347 0.75000000000000 0.03608442258723 208.980 *7 Bi 0.87159239612935 0.25000000000000 0.47792769585777 208.980 8 Bi 0.12840760387065 0.75000000000000 0.52207230414223 208.980 *9 O 0.00554785747837 0.75000000000000 0.74816626671371 15.999 *10 O 0.68842344014899 0.49260470123238 0.92847029066602 15.999 11 O 0.68842344014899 0.00739529876762 0.92847029066602 15.999 12 O 0.99445214252163 0.25000000000000 0.25183373328629 15.999 13 O 0.31157655985101 0.99260470123238 0.07152970933398 15.999 14 O 0.31157655985101 0.50739529876762 0.07152970933398 15.999 *15 O 0.67258888191322 0.00747504020191 0.40926235124701 15.999 16 O 0.67258888191322 0.49252495979809 0.40926235124701 15.999 17 O 0.32741111808678 0.99252495979809 0.59073764875299 15.999 18 O 0.32741111808678 0.50747504020191 0.59073764875299 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.357163930174900 0.000000000000000 0.000000000000000 b 0.000000000000000 6.172636050000002 0.000000000000000 c -1.933235150936299 0.000000000000000 7.390649009900588 Atomic positions (fractional): *1 Sr 0.39701664322747 0.25000000000000 0.85106689393055 87.620 > 1 2 Sr 0.60298335677253 0.75000000000000 0.14893310606946 87.620 > 2 *3 Sr 0.36901746776683 0.25000000000000 0.34269585347366 87.620 > 3 4 Sr 0.63098253223317 0.75000000000000 0.65730414652634 87.620 > 4 *5 Bi 0.88950164638653 0.25000000000000 0.96391557741277 208.980 > 5 6 Bi 0.11049835361347 0.75000000000000 0.03608442258723 208.980 > 6 *7 Bi 0.87159239612935 0.25000000000000 0.47792769585777 208.980 > 7 8 Bi 0.12840760387065 0.75000000000000 0.52207230414223 208.980 > 8 *9 O 0.00554785747837 0.75000000000000 0.74816626671371 15.999 > 9 *10 O 0.68842344014899 0.49260470123238 0.92847029066602 15.999 > 10 11 O 0.68842344014899 0.00739529876762 0.92847029066602 15.999 > 11 12 O 0.99445214252163 0.25000000000000 0.25183373328629 15.999 > 12 13 O 0.31157655985101 0.99260470123238 0.07152970933398 15.999 > 13 14 O 0.31157655985101 0.50739529876762 0.07152970933398 15.999 > 14 *15 O 0.67258888191322 0.00747504020191 0.40926235124701 15.999 > 15 16 O 0.67258888191322 0.49252495979809 0.40926235124701 15.999 > 16 17 O 0.32741111808678 0.99252495979809 0.59073764875299 15.999 > 17 18 O 0.32741111808678 0.50747504020191 0.59073764875299 15.999 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.714327860349799 0.000000000000000 0.000000000000000 b 0.000000000000000 12.345272100000004 0.000000000000000 c -3.866470301872598 0.000000000000000 14.781298019801175 Atomic positions (fractional): *1 Sr 0.19850832161374 0.12500000000000 0.42553344696527 87.620 > 1 2 Sr 0.69850832161374 0.12500000000000 0.42553344696527 87.620 > 1 3 Sr 0.19850832161374 0.62500000000000 0.42553344696527 87.620 > 1 4 Sr 0.69850832161374 0.62500000000000 0.42553344696527 87.620 > 1 5 Sr 0.19850832161374 0.12500000000000 0.92553344696527 87.620 > 1 6 Sr 0.69850832161374 0.12500000000000 0.92553344696527 87.620 > 1 7 Sr 0.19850832161374 0.62500000000000 0.92553344696527 87.620 > 1 8 Sr 0.69850832161374 0.62500000000000 0.92553344696527 87.620 > 1 9 Sr 0.30149167838626 0.37500000000000 0.07446655303473 87.620 > 2 10 Sr 0.80149167838626 0.37500000000000 0.07446655303473 87.620 > 2 11 Sr 0.30149167838626 0.87500000000000 0.07446655303473 87.620 > 2 12 Sr 0.80149167838626 0.87500000000000 0.07446655303473 87.620 > 2 13 Sr 0.30149167838626 0.37500000000000 0.57446655303473 87.620 > 2 14 Sr 0.80149167838626 0.37500000000000 0.57446655303473 87.620 > 2 15 Sr 0.30149167838626 0.87500000000000 0.57446655303473 87.620 > 2 16 Sr 0.80149167838626 0.87500000000000 0.57446655303473 87.620 > 2 *17 Sr 0.18450873388342 0.12500000000000 0.17134792673683 87.620 > 3 18 Sr 0.68450873388342 0.12500000000000 0.17134792673683 87.620 > 3 19 Sr 0.18450873388342 0.62500000000000 0.17134792673683 87.620 > 3 20 Sr 0.68450873388342 0.62500000000000 0.17134792673683 87.620 > 3 21 Sr 0.18450873388342 0.12500000000000 0.67134792673683 87.620 > 3 22 Sr 0.68450873388342 0.12500000000000 0.67134792673683 87.620 > 3 23 Sr 0.18450873388342 0.62500000000000 0.67134792673683 87.620 > 3 24 Sr 0.68450873388342 0.62500000000000 0.67134792673683 87.620 > 3 25 Sr 0.31549126611659 0.37500000000000 0.32865207326317 87.620 > 4 26 Sr 0.81549126611658 0.37500000000000 0.32865207326317 87.620 > 4 27 Sr 0.31549126611659 0.87500000000000 0.32865207326317 87.620 > 4 28 Sr 0.81549126611658 0.87500000000000 0.32865207326317 87.620 > 4 29 Sr 0.31549126611659 0.37500000000000 0.82865207326317 87.620 > 4 30 Sr 0.81549126611658 0.37500000000000 0.82865207326317 87.620 > 4 31 Sr 0.31549126611659 0.87500000000000 0.82865207326317 87.620 > 4 32 Sr 0.81549126611658 0.87500000000000 0.82865207326317 87.620 > 4 *33 Bi 0.44475082319326 0.12500000000000 0.48195778870638 208.980 > 5 34 Bi 0.94475082319326 0.12500000000000 0.48195778870638 208.980 > 5 35 Bi 0.44475082319326 0.62500000000000 0.48195778870638 208.980 > 5 36 Bi 0.94475082319326 0.62500000000000 0.48195778870638 208.980 > 5 37 Bi 0.44475082319326 0.12500000000000 0.98195778870638 208.980 > 5 38 Bi 0.94475082319326 0.12500000000000 0.98195778870638 208.980 > 5 39 Bi 0.44475082319326 0.62500000000000 0.98195778870638 208.980 > 5 40 Bi 0.94475082319326 0.62500000000000 0.98195778870638 208.980 > 5 41 Bi 0.05524917680674 0.37500000000000 0.01804221129362 208.980 > 6 42 Bi 0.55524917680674 0.37500000000000 0.01804221129362 208.980 > 6 43 Bi 0.05524917680674 0.87500000000000 0.01804221129362 208.980 > 6 44 Bi 0.55524917680674 0.87500000000000 0.01804221129362 208.980 > 6 45 Bi 0.05524917680674 0.37500000000000 0.51804221129362 208.980 > 6 46 Bi 0.55524917680674 0.37500000000000 0.51804221129362 208.980 > 6 47 Bi 0.05524917680674 0.87500000000000 0.51804221129362 208.980 > 6 48 Bi 0.55524917680674 0.87500000000000 0.51804221129362 208.980 > 6 *49 Bi 0.43579619806467 0.12500000000000 0.23896384792889 208.980 > 7 50 Bi 0.93579619806467 0.12500000000000 0.23896384792889 208.980 > 7 51 Bi 0.43579619806467 0.62500000000000 0.23896384792889 208.980 > 7 52 Bi 0.93579619806467 0.62500000000000 0.23896384792889 208.980 > 7 53 Bi 0.43579619806467 0.12500000000000 0.73896384792889 208.980 > 7 54 Bi 0.93579619806467 0.12500000000000 0.73896384792889 208.980 > 7 55 Bi 0.43579619806467 0.62500000000000 0.73896384792889 208.980 > 7 56 Bi 0.93579619806467 0.62500000000000 0.73896384792889 208.980 > 7 57 Bi 0.06420380193533 0.37500000000000 0.26103615207111 208.980 > 8 58 Bi 0.56420380193533 0.37500000000000 0.26103615207111 208.980 > 8 59 Bi 0.06420380193533 0.87500000000000 0.26103615207111 208.980 > 8 60 Bi 0.56420380193533 0.87500000000000 0.26103615207111 208.980 > 8 61 Bi 0.06420380193533 0.37500000000000 0.76103615207111 208.980 > 8 62 Bi 0.56420380193533 0.37500000000000 0.76103615207111 208.980 > 8 63 Bi 0.06420380193533 0.87500000000000 0.76103615207111 208.980 > 8 64 Bi 0.56420380193533 0.87500000000000 0.76103615207111 208.980 > 8 *65 O 0.00277392873918 0.37500000000000 0.37408313335686 15.999 > 9 66 O 0.50277392873918 0.37500000000000 0.37408313335686 15.999 > 9 67 O 0.00277392873918 0.87500000000000 0.37408313335686 15.999 > 9 68 O 0.50277392873918 0.87500000000000 0.37408313335686 15.999 > 9 69 O 0.00277392873918 0.37500000000000 0.87408313335686 15.999 > 9 70 O 0.50277392873918 0.37500000000000 0.87408313335686 15.999 > 9 71 O 0.00277392873918 0.87500000000000 0.87408313335686 15.999 > 9 72 O 0.50277392873918 0.87500000000000 0.87408313335686 15.999 > 9 *73 O 0.34421172007450 0.24630235061619 0.46423514533301 15.999 > 10 74 O 0.84421172007450 0.24630235061619 0.46423514533301 15.999 > 10 75 O 0.34421172007450 0.74630235061619 0.46423514533301 15.999 > 10 76 O 0.84421172007450 0.74630235061619 0.46423514533301 15.999 > 10 77 O 0.34421172007450 0.24630235061619 0.96423514533301 15.999 > 10 78 O 0.84421172007450 0.24630235061619 0.96423514533301 15.999 > 10 79 O 0.34421172007450 0.74630235061619 0.96423514533301 15.999 > 10 80 O 0.84421172007450 0.74630235061619 0.96423514533301 15.999 > 10 81 O 0.34421172007450 0.00369764938381 0.46423514533301 15.999 > 11 82 O 0.84421172007450 0.00369764938381 0.46423514533301 15.999 > 11 83 O 0.34421172007450 0.50369764938381 0.46423514533301 15.999 > 11 84 O 0.84421172007450 0.50369764938381 0.46423514533301 15.999 > 11 85 O 0.34421172007450 0.00369764938381 0.96423514533301 15.999 > 11 86 O 0.84421172007450 0.00369764938381 0.96423514533301 15.999 > 11 87 O 0.34421172007450 0.50369764938381 0.96423514533301 15.999 > 11 88 O 0.84421172007450 0.50369764938381 0.96423514533301 15.999 > 11 89 O 0.49722607126082 0.12500000000000 0.12591686664314 15.999 > 12 90 O 0.99722607126082 0.12500000000000 0.12591686664314 15.999 > 12 91 O 0.49722607126082 0.62500000000000 0.12591686664314 15.999 > 12 92 O 0.99722607126082 0.62500000000000 0.12591686664314 15.999 > 12 93 O 0.49722607126082 0.12500000000000 0.62591686664314 15.999 > 12 94 O 0.99722607126082 0.12500000000000 0.62591686664314 15.999 > 12 95 O 0.49722607126082 0.62500000000000 0.62591686664314 15.999 > 12 96 O 0.99722607126082 0.62500000000000 0.62591686664314 15.999 > 12 97 O 0.15578827992550 0.49630235061619 0.03576485466699 15.999 > 13 98 O 0.65578827992550 0.49630235061619 0.03576485466699 15.999 > 13 99 O 0.15578827992550 0.99630235061619 0.03576485466699 15.999 > 13 100 O 0.65578827992550 0.99630235061619 0.03576485466699 15.999 > 13 101 O 0.15578827992550 0.49630235061619 0.53576485466699 15.999 > 13 102 O 0.65578827992550 0.49630235061619 0.53576485466699 15.999 > 13 103 O 0.15578827992550 0.99630235061619 0.53576485466699 15.999 > 13 104 O 0.65578827992550 0.99630235061619 0.53576485466699 15.999 > 13 105 O 0.15578827992550 0.25369764938381 0.03576485466699 15.999 > 14 106 O 0.65578827992550 0.25369764938381 0.03576485466699 15.999 > 14 107 O 0.15578827992550 0.75369764938381 0.03576485466699 15.999 > 14 108 O 0.65578827992550 0.75369764938381 0.03576485466699 15.999 > 14 109 O 0.15578827992550 0.25369764938381 0.53576485466699 15.999 > 14 110 O 0.65578827992550 0.25369764938381 0.53576485466699 15.999 > 14 111 O 0.15578827992550 0.75369764938381 0.53576485466699 15.999 > 14 112 O 0.65578827992550 0.75369764938381 0.53576485466699 15.999 > 14 *113 O 0.33629444095661 0.00373752010095 0.20463117562350 15.999 > 15 114 O 0.83629444095661 0.00373752010095 0.20463117562350 15.999 > 15 115 O 0.33629444095661 0.50373752010095 0.20463117562350 15.999 > 15 116 O 0.83629444095661 0.50373752010095 0.20463117562350 15.999 > 15 117 O 0.33629444095661 0.00373752010095 0.70463117562350 15.999 > 15 118 O 0.83629444095661 0.00373752010095 0.70463117562350 15.999 > 15 119 O 0.33629444095661 0.50373752010095 0.70463117562350 15.999 > 15 120 O 0.83629444095661 0.50373752010095 0.70463117562350 15.999 > 15 121 O 0.33629444095661 0.24626247989905 0.20463117562350 15.999 > 16 122 O 0.83629444095661 0.24626247989905 0.20463117562350 15.999 > 16 123 O 0.33629444095661 0.74626247989905 0.20463117562350 15.999 > 16 124 O 0.83629444095661 0.74626247989905 0.20463117562350 15.999 > 16 125 O 0.33629444095661 0.24626247989905 0.70463117562350 15.999 > 16 126 O 0.83629444095661 0.24626247989905 0.70463117562350 15.999 > 16 127 O 0.33629444095661 0.74626247989905 0.70463117562350 15.999 > 16 128 O 0.83629444095661 0.74626247989905 0.70463117562350 15.999 > 16 129 O 0.16370555904339 0.49626247989905 0.29536882437650 15.999 > 17 130 O 0.66370555904339 0.49626247989905 0.29536882437650 15.999 > 17 131 O 0.16370555904339 0.99626247989905 0.29536882437650 15.999 > 17 132 O 0.66370555904339 0.99626247989905 0.29536882437650 15.999 > 17 133 O 0.16370555904339 0.49626247989905 0.79536882437650 15.999 > 17 134 O 0.66370555904339 0.49626247989905 0.79536882437650 15.999 > 17 135 O 0.16370555904339 0.99626247989905 0.79536882437650 15.999 > 17 136 O 0.66370555904339 0.99626247989905 0.79536882437650 15.999 > 17 137 O 0.16370555904339 0.25373752010095 0.29536882437650 15.999 > 18 138 O 0.66370555904339 0.25373752010095 0.29536882437650 15.999 > 18 139 O 0.16370555904339 0.75373752010095 0.29536882437650 15.999 > 18 140 O 0.66370555904339 0.75373752010095 0.29536882437650 15.999 > 18 141 O 0.16370555904339 0.25373752010095 0.79536882437650 15.999 > 18 142 O 0.66370555904339 0.25373752010095 0.79536882437650 15.999 > 18 143 O 0.16370555904339 0.75373752010095 0.79536882437650 15.999 > 18 144 O 0.66370555904339 0.75373752010095 0.79536882437650 15.999 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2982524 0.0000000 -0.2786718 0.0000000 4.6228424 0.0000000 -0.2786725 0.0000000 5.2954421 -------------------------- Born effective charges -------------------------- 1 Sr 2.6273572 0.0000000 0.0850549 0.0000000 2.8037319 0.0000000 0.0878144 0.0000000 2.4191684 2 Sr 2.6273572 0.0000000 0.0850549 0.0000000 2.8037319 0.0000000 0.0878144 0.0000000 2.4191684 3 Sr 2.7981600 0.0000000 0.0765063 0.0000000 2.5641848 0.0000000 0.0395263 0.0000000 2.4808523 4 Sr 2.7981600 0.0000000 0.0765063 0.0000000 2.5641848 0.0000000 0.0395263 0.0000000 2.4808523 5 Bi 2.2793782 0.0000000 0.2491234 0.0000000 3.2289324 0.0000000 0.7037514 0.0000000 2.8145982 6 Bi 2.2793782 0.0000000 0.2491234 0.0000000 3.2289324 0.0000000 0.7037514 0.0000000 2.8145982 7 Bi 2.7663067 0.0000000 -0.2501326 0.0000000 3.1020906 0.0000000 -0.6698422 0.0000000 2.1374302 8 Bi 2.7663067 0.0000000 -0.2501326 0.0000000 3.1020906 0.0000000 -0.6698422 0.0000000 2.1374302 9 O -1.7415970 0.0000000 0.8193231 0.0000000 -1.2465372 0.0000000 0.8466365 0.0000000 -4.3724464 10 O -2.2455503 0.2810021 -0.1506773 0.8631717 -2.6476135 0.0600486 -0.3366791 0.2704358 -1.3447255 11 O -2.2455503 -0.2810021 -0.1506773 -0.8631717 -2.6476135 -0.0600486 -0.3366791 -0.2704358 -1.3447255 12 O -1.7415970 0.0000000 0.8193231 0.0000000 -1.2465372 0.0000000 0.8466365 0.0000000 -4.3724464 13 O -2.2455503 -0.2810021 -0.1506773 -0.8631717 -2.6476135 -0.0600486 -0.3366791 -0.2704358 -1.3447255 14 O -2.2455503 0.2810021 -0.1506773 0.8631717 -2.6476135 0.0600486 -0.3366791 0.2704358 -1.3447255 15 O -2.1192523 -0.4323221 -0.3392603 -0.8208314 -2.5785878 -0.3982898 -0.1672641 0.0562933 -1.3950758 16 O -2.1192523 0.4323221 -0.3392603 0.8208314 -2.5785878 0.3982898 -0.1672641 -0.0562933 -1.3950758 17 O -2.1192523 -0.4323221 -0.3392603 -0.8208314 -2.5785878 -0.3982898 -0.1672641 0.0562933 -1.3950758 18 O -2.1192523 0.4323221 -0.3392603 0.8208314 -2.5785878 0.3982898 -0.1672641 -0.0562933 -1.3950758 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3128 Number of blocks in projector: 3128 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 241 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 247 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 7 (2) Compute compressed projector. (2) Use standard solver. (2) 3 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 247 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 7 (2) Compute compressed projector. (2) Use standard solver. (2) 3 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 428 Use standard eigh solver. Tree of FC basis block matrices: - (3128, 3086), data: False |-- (428, 421), data: True |-- (428, 421), data: True |-- (428, 421), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 3), data: (548, 7) @ (7, 3) |-- (298, 294), data: True |-- (250, 247), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 3), data: (548, 7) @ (7, 3) |-- (298, 294), data: True |-- (250, 247), data: True |-- (748, 735), data: False |-- (748, 7), data: (748, 20) @ (20, 7) |-- (248, 241), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 237), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.010 Solver_block: 200 / 560 - Time: 0.886 Solver_block: 300 / 560 - Time: 0.886 Solver_block: 400 / 560 - Time: 0.888 Solver_block: 500 / 560 - Time: 0.886 Solver_block: 560 / 560 - Time: 0.629 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.309 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3128 Number of blocks in projector: 3128 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 241 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 247 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 7 (2) Compute compressed projector. (2) Use standard solver. (2) 3 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 247 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 7 (2) Compute compressed projector. (2) Use standard solver. (2) 3 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 428 Use standard eigh solver. Tree of FC basis block matrices: - (3128, 3086), data: False |-- (428, 421), data: True |-- (428, 421), data: True |-- (428, 421), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 3), data: (548, 7) @ (7, 3) |-- (298, 294), data: True |-- (250, 247), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 3), data: (548, 7) @ (7, 3) |-- (298, 294), data: True |-- (250, 247), data: True |-- (748, 735), data: False |-- (748, 7), data: (748, 20) @ (20, 7) |-- (248, 241), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 237), data: True |-- (250, 239), 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 2026-01-09 00:26:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:26:11]------------------------- 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): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.357163930174900 0.000000000000000 0.000000000000000 b 0.000000000000000 6.172636050000002 0.000000000000000 c -1.933235150936299 0.000000000000000 7.390649009900588 Atomic positions (fractional): 1 Sr 0.39701664322747 0.25000000000000 0.85106689393055 87.620 2 Sr 0.60298335677253 0.75000000000000 0.14893310606946 87.620 3 Sr 0.36901746776683 0.25000000000000 0.34269585347366 87.620 4 Sr 0.63098253223317 0.75000000000000 0.65730414652634 87.620 5 Bi 0.88950164638653 0.25000000000000 0.96391557741277 208.980 6 Bi 0.11049835361347 0.75000000000000 0.03608442258723 208.980 7 Bi 0.87159239612935 0.25000000000000 0.47792769585777 208.980 8 Bi 0.12840760387065 0.75000000000000 0.52207230414223 208.980 9 O 0.00554785747837 0.75000000000000 0.74816626671371 15.999 10 O 0.68842344014899 0.49260470123238 0.92847029066602 15.999 11 O 0.68842344014899 0.00739529876762 0.92847029066602 15.999 12 O 0.99445214252163 0.25000000000000 0.25183373328629 15.999 13 O 0.31157655985101 0.99260470123238 0.07152970933398 15.999 14 O 0.31157655985101 0.50739529876762 0.07152970933398 15.999 15 O 0.67258888191322 0.00747504020191 0.40926235124701 15.999 16 O 0.67258888191322 0.49252495979809 0.40926235124701 15.999 17 O 0.32741111808678 0.99252495979809 0.59073764875299 15.999 18 O 0.32741111808678 0.50747504020191 0.59073764875299 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.714327860349799 0.000000000000000 0.000000000000000 b 0.000000000000000 12.345272100000004 0.000000000000000 c -3.866470301872598 0.000000000000000 14.781298019801175 Atomic positions (fractional): 1 Sr 0.19850832161374 0.12500000000000 0.42553344696527 87.620 > 1 2 Sr 0.69850832161374 0.12500000000000 0.42553344696527 87.620 > 1 3 Sr 0.19850832161374 0.62500000000000 0.42553344696527 87.620 > 1 4 Sr 0.69850832161374 0.62500000000000 0.42553344696527 87.620 > 1 5 Sr 0.19850832161374 0.12500000000000 0.92553344696527 87.620 > 1 6 Sr 0.69850832161374 0.12500000000000 0.92553344696527 87.620 > 1 7 Sr 0.19850832161374 0.62500000000000 0.92553344696527 87.620 > 1 8 Sr 0.69850832161374 0.62500000000000 0.92553344696527 87.620 > 1 9 Sr 0.30149167838626 0.37500000000000 0.07446655303473 87.620 > 9 10 Sr 0.80149167838626 0.37500000000000 0.07446655303473 87.620 > 9 11 Sr 0.30149167838626 0.87500000000000 0.07446655303473 87.620 > 9 12 Sr 0.80149167838626 0.87500000000000 0.07446655303473 87.620 > 9 13 Sr 0.30149167838626 0.37500000000000 0.57446655303473 87.620 > 9 14 Sr 0.80149167838626 0.37500000000000 0.57446655303473 87.620 > 9 15 Sr 0.30149167838626 0.87500000000000 0.57446655303473 87.620 > 9 16 Sr 0.80149167838626 0.87500000000000 0.57446655303473 87.620 > 9 17 Sr 0.18450873388342 0.12500000000000 0.17134792673683 87.620 > 17 18 Sr 0.68450873388342 0.12500000000000 0.17134792673683 87.620 > 17 19 Sr 0.18450873388342 0.62500000000000 0.17134792673683 87.620 > 17 20 Sr 0.68450873388342 0.62500000000000 0.17134792673683 87.620 > 17 21 Sr 0.18450873388342 0.12500000000000 0.67134792673683 87.620 > 17 22 Sr 0.68450873388342 0.12500000000000 0.67134792673683 87.620 > 17 23 Sr 0.18450873388342 0.62500000000000 0.67134792673683 87.620 > 17 24 Sr 0.68450873388342 0.62500000000000 0.67134792673683 87.620 > 17 25 Sr 0.31549126611659 0.37500000000000 0.32865207326317 87.620 > 25 26 Sr 0.81549126611658 0.37500000000000 0.32865207326317 87.620 > 25 27 Sr 0.31549126611659 0.87500000000000 0.32865207326317 87.620 > 25 28 Sr 0.81549126611658 0.87500000000000 0.32865207326317 87.620 > 25 29 Sr 0.31549126611659 0.37500000000000 0.82865207326317 87.620 > 25 30 Sr 0.81549126611658 0.37500000000000 0.82865207326317 87.620 > 25 31 Sr 0.31549126611659 0.87500000000000 0.82865207326317 87.620 > 25 32 Sr 0.81549126611658 0.87500000000000 0.82865207326317 87.620 > 25 33 Bi 0.44475082319326 0.12500000000000 0.48195778870638 208.980 > 33 34 Bi 0.94475082319326 0.12500000000000 0.48195778870638 208.980 > 33 35 Bi 0.44475082319326 0.62500000000000 0.48195778870638 208.980 > 33 36 Bi 0.94475082319326 0.62500000000000 0.48195778870638 208.980 > 33 37 Bi 0.44475082319326 0.12500000000000 0.98195778870638 208.980 > 33 38 Bi 0.94475082319326 0.12500000000000 0.98195778870638 208.980 > 33 39 Bi 0.44475082319326 0.62500000000000 0.98195778870638 208.980 > 33 40 Bi 0.94475082319326 0.62500000000000 0.98195778870638 208.980 > 33 41 Bi 0.05524917680674 0.37500000000000 0.01804221129362 208.980 > 41 42 Bi 0.55524917680674 0.37500000000000 0.01804221129362 208.980 > 41 43 Bi 0.05524917680674 0.87500000000000 0.01804221129362 208.980 > 41 44 Bi 0.55524917680674 0.87500000000000 0.01804221129362 208.980 > 41 45 Bi 0.05524917680674 0.37500000000000 0.51804221129362 208.980 > 41 46 Bi 0.55524917680674 0.37500000000000 0.51804221129362 208.980 > 41 47 Bi 0.05524917680674 0.87500000000000 0.51804221129362 208.980 > 41 48 Bi 0.55524917680674 0.87500000000000 0.51804221129362 208.980 > 41 49 Bi 0.43579619806467 0.12500000000000 0.23896384792889 208.980 > 49 50 Bi 0.93579619806467 0.12500000000000 0.23896384792889 208.980 > 49 51 Bi 0.43579619806467 0.62500000000000 0.23896384792889 208.980 > 49 52 Bi 0.93579619806467 0.62500000000000 0.23896384792889 208.980 > 49 53 Bi 0.43579619806467 0.12500000000000 0.73896384792889 208.980 > 49 54 Bi 0.93579619806467 0.12500000000000 0.73896384792889 208.980 > 49 55 Bi 0.43579619806467 0.62500000000000 0.73896384792889 208.980 > 49 56 Bi 0.93579619806467 0.62500000000000 0.73896384792889 208.980 > 49 57 Bi 0.06420380193533 0.37500000000000 0.26103615207111 208.980 > 57 58 Bi 0.56420380193533 0.37500000000000 0.26103615207111 208.980 > 57 59 Bi 0.06420380193533 0.87500000000000 0.26103615207111 208.980 > 57 60 Bi 0.56420380193533 0.87500000000000 0.26103615207111 208.980 > 57 61 Bi 0.06420380193533 0.37500000000000 0.76103615207111 208.980 > 57 62 Bi 0.56420380193533 0.37500000000000 0.76103615207111 208.980 > 57 63 Bi 0.06420380193533 0.87500000000000 0.76103615207111 208.980 > 57 64 Bi 0.56420380193533 0.87500000000000 0.76103615207111 208.980 > 57 65 O 0.00277392873918 0.37500000000000 0.37408313335686 15.999 > 65 66 O 0.50277392873918 0.37500000000000 0.37408313335686 15.999 > 65 67 O 0.00277392873918 0.87500000000000 0.37408313335686 15.999 > 65 68 O 0.50277392873918 0.87500000000000 0.37408313335686 15.999 > 65 69 O 0.00277392873918 0.37500000000000 0.87408313335686 15.999 > 65 70 O 0.50277392873918 0.37500000000000 0.87408313335686 15.999 > 65 71 O 0.00277392873918 0.87500000000000 0.87408313335686 15.999 > 65 72 O 0.50277392873918 0.87500000000000 0.87408313335686 15.999 > 65 73 O 0.34421172007450 0.24630235061619 0.46423514533301 15.999 > 73 74 O 0.84421172007450 0.24630235061619 0.46423514533301 15.999 > 73 75 O 0.34421172007450 0.74630235061619 0.46423514533301 15.999 > 73 76 O 0.84421172007450 0.74630235061619 0.46423514533301 15.999 > 73 77 O 0.34421172007450 0.24630235061619 0.96423514533301 15.999 > 73 78 O 0.84421172007450 0.24630235061619 0.96423514533301 15.999 > 73 79 O 0.34421172007450 0.74630235061619 0.96423514533301 15.999 > 73 80 O 0.84421172007450 0.74630235061619 0.96423514533301 15.999 > 73 81 O 0.34421172007450 0.00369764938381 0.46423514533301 15.999 > 81 82 O 0.84421172007450 0.00369764938381 0.46423514533301 15.999 > 81 83 O 0.34421172007450 0.50369764938381 0.46423514533301 15.999 > 81 84 O 0.84421172007450 0.50369764938381 0.46423514533301 15.999 > 81 85 O 0.34421172007450 0.00369764938381 0.96423514533301 15.999 > 81 86 O 0.84421172007450 0.00369764938381 0.96423514533301 15.999 > 81 87 O 0.34421172007450 0.50369764938381 0.96423514533301 15.999 > 81 88 O 0.84421172007450 0.50369764938381 0.96423514533301 15.999 > 81 89 O 0.49722607126082 0.12500000000000 0.12591686664314 15.999 > 89 90 O 0.99722607126082 0.12500000000000 0.12591686664314 15.999 > 89 91 O 0.49722607126082 0.62500000000000 0.12591686664314 15.999 > 89 92 O 0.99722607126082 0.62500000000000 0.12591686664314 15.999 > 89 93 O 0.49722607126082 0.12500000000000 0.62591686664314 15.999 > 89 94 O 0.99722607126082 0.12500000000000 0.62591686664314 15.999 > 89 95 O 0.49722607126082 0.62500000000000 0.62591686664314 15.999 > 89 96 O 0.99722607126082 0.62500000000000 0.62591686664314 15.999 > 89 97 O 0.15578827992550 0.49630235061619 0.03576485466699 15.999 > 97 98 O 0.65578827992550 0.49630235061619 0.03576485466699 15.999 > 97 99 O 0.15578827992550 0.99630235061619 0.03576485466699 15.999 > 97 100 O 0.65578827992550 0.99630235061619 0.03576485466699 15.999 > 97 101 O 0.15578827992550 0.49630235061619 0.53576485466699 15.999 > 97 102 O 0.65578827992550 0.49630235061619 0.53576485466699 15.999 > 97 103 O 0.15578827992550 0.99630235061619 0.53576485466699 15.999 > 97 104 O 0.65578827992550 0.99630235061619 0.53576485466699 15.999 > 97 105 O 0.15578827992550 0.25369764938381 0.03576485466699 15.999 > 105 106 O 0.65578827992550 0.25369764938381 0.03576485466699 15.999 > 105 107 O 0.15578827992550 0.75369764938381 0.03576485466699 15.999 > 105 108 O 0.65578827992550 0.75369764938381 0.03576485466699 15.999 > 105 109 O 0.15578827992550 0.25369764938381 0.53576485466699 15.999 > 105 110 O 0.65578827992550 0.25369764938381 0.53576485466699 15.999 > 105 111 O 0.15578827992550 0.75369764938381 0.53576485466699 15.999 > 105 112 O 0.65578827992550 0.75369764938381 0.53576485466699 15.999 > 105 113 O 0.33629444095661 0.00373752010095 0.20463117562350 15.999 > 113 114 O 0.83629444095661 0.00373752010095 0.20463117562350 15.999 > 113 115 O 0.33629444095661 0.50373752010095 0.20463117562350 15.999 > 113 116 O 0.83629444095661 0.50373752010095 0.20463117562350 15.999 > 113 117 O 0.33629444095661 0.00373752010095 0.70463117562350 15.999 > 113 118 O 0.83629444095661 0.00373752010095 0.70463117562350 15.999 > 113 119 O 0.33629444095661 0.50373752010095 0.70463117562350 15.999 > 113 120 O 0.83629444095661 0.50373752010095 0.70463117562350 15.999 > 113 121 O 0.33629444095661 0.24626247989905 0.20463117562350 15.999 > 121 122 O 0.83629444095661 0.24626247989905 0.20463117562350 15.999 > 121 123 O 0.33629444095661 0.74626247989905 0.20463117562350 15.999 > 121 124 O 0.83629444095661 0.74626247989905 0.20463117562350 15.999 > 121 125 O 0.33629444095661 0.24626247989905 0.70463117562350 15.999 > 121 126 O 0.83629444095661 0.24626247989905 0.70463117562350 15.999 > 121 127 O 0.33629444095661 0.74626247989905 0.70463117562350 15.999 > 121 128 O 0.83629444095661 0.74626247989905 0.70463117562350 15.999 > 121 129 O 0.16370555904339 0.49626247989905 0.29536882437650 15.999 > 129 130 O 0.66370555904339 0.49626247989905 0.29536882437650 15.999 > 129 131 O 0.16370555904339 0.99626247989905 0.29536882437650 15.999 > 129 132 O 0.66370555904339 0.99626247989905 0.29536882437650 15.999 > 129 133 O 0.16370555904339 0.49626247989905 0.79536882437650 15.999 > 129 134 O 0.66370555904339 0.49626247989905 0.79536882437650 15.999 > 129 135 O 0.16370555904339 0.99626247989905 0.79536882437650 15.999 > 129 136 O 0.66370555904339 0.99626247989905 0.79536882437650 15.999 > 129 137 O 0.16370555904339 0.25373752010095 0.29536882437650 15.999 > 137 138 O 0.66370555904339 0.25373752010095 0.29536882437650 15.999 > 137 139 O 0.16370555904339 0.75373752010095 0.29536882437650 15.999 > 137 140 O 0.66370555904339 0.75373752010095 0.29536882437650 15.999 > 137 141 O 0.16370555904339 0.25373752010095 0.79536882437650 15.999 > 137 142 O 0.66370555904339 0.25373752010095 0.79536882437650 15.999 > 137 143 O 0.16370555904339 0.75373752010095 0.79536882437650 15.999 > 137 144 O 0.66370555904339 0.75373752010095 0.79536882437650 15.999 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2982524 0.0000000 -0.2786718 0.0000000 4.6228424 0.0000000 -0.2786725 0.0000000 5.2954421 -------------------------- Born effective charges -------------------------- 1 Sr 2.6273572 0.0000000 0.0850549 0.0000000 2.8037319 0.0000000 0.0878144 0.0000000 2.4191684 2 Sr 2.6273572 0.0000000 0.0850549 0.0000000 2.8037319 0.0000000 0.0878144 0.0000000 2.4191684 3 Sr 2.7981600 0.0000000 0.0765063 0.0000000 2.5641848 0.0000000 0.0395263 0.0000000 2.4808523 4 Sr 2.7981600 0.0000000 0.0765063 0.0000000 2.5641848 0.0000000 0.0395263 0.0000000 2.4808523 5 Bi 2.2793782 0.0000000 0.2491234 0.0000000 3.2289324 0.0000000 0.7037514 0.0000000 2.8145982 6 Bi 2.2793782 0.0000000 0.2491234 0.0000000 3.2289324 0.0000000 0.7037514 0.0000000 2.8145982 7 Bi 2.7663067 0.0000000 -0.2501326 0.0000000 3.1020906 0.0000000 -0.6698422 0.0000000 2.1374302 8 Bi 2.7663067 0.0000000 -0.2501326 0.0000000 3.1020906 0.0000000 -0.6698422 0.0000000 2.1374302 9 O -1.7415970 0.0000000 0.8193231 0.0000000 -1.2465372 0.0000000 0.8466365 0.0000000 -4.3724464 10 O -2.2455503 0.2810021 -0.1506773 0.8631717 -2.6476135 0.0600486 -0.3366791 0.2704358 -1.3447255 11 O -2.2455503 -0.2810021 -0.1506773 -0.8631717 -2.6476135 -0.0600486 -0.3366791 -0.2704358 -1.3447255 12 O -1.7415970 0.0000000 0.8193231 0.0000000 -1.2465372 0.0000000 0.8466365 0.0000000 -4.3724464 13 O -2.2455503 -0.2810021 -0.1506773 -0.8631717 -2.6476135 -0.0600486 -0.3366791 -0.2704358 -1.3447255 14 O -2.2455503 0.2810021 -0.1506773 0.8631717 -2.6476135 0.0600486 -0.3366791 0.2704358 -1.3447255 15 O -2.1192523 -0.4323221 -0.3392603 -0.8208314 -2.5785878 -0.3982898 -0.1672641 0.0562933 -1.3950758 16 O -2.1192523 0.4323221 -0.3392603 0.8208314 -2.5785878 0.3982898 -0.1672641 -0.0562933 -1.3950758 17 O -2.1192523 -0.4323221 -0.3392603 -0.8208314 -2.5785878 -0.3982898 -0.1672641 0.0562933 -1.3950758 18 O -2.1192523 0.4323221 -0.3392603 0.8208314 -2.5785878 0.3982898 -0.1672641 -0.0562933 -1.3950758 ---------------------------------------------------------------------------- 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 113, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000011 (yzy) -0.00000011 (yzy) -0.00000011 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (zx) 0.00000005 (zx) 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 2026-01-09 00:26:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:26:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.357163930174900 0.000000000000000 0.000000000000000 b 0.000000000000000 6.172636050000002 0.000000000000000 c -1.933235150936299 0.000000000000000 7.390649009900588 Atomic positions (fractional): 1 Sr 0.39701664322747 0.25000000000000 0.85106689393055 87.620 2 Sr 0.60298335677253 0.75000000000000 0.14893310606946 87.620 3 Sr 0.36901746776683 0.25000000000000 0.34269585347366 87.620 4 Sr 0.63098253223317 0.75000000000000 0.65730414652634 87.620 5 Bi 0.88950164638653 0.25000000000000 0.96391557741277 208.980 6 Bi 0.11049835361347 0.75000000000000 0.03608442258723 208.980 7 Bi 0.87159239612935 0.25000000000000 0.47792769585777 208.980 8 Bi 0.12840760387065 0.75000000000000 0.52207230414223 208.980 9 O 0.00554785747837 0.75000000000000 0.74816626671371 15.999 10 O 0.68842344014899 0.49260470123238 0.92847029066602 15.999 11 O 0.68842344014899 0.00739529876762 0.92847029066602 15.999 12 O 0.99445214252163 0.25000000000000 0.25183373328629 15.999 13 O 0.31157655985101 0.99260470123238 0.07152970933398 15.999 14 O 0.31157655985101 0.50739529876762 0.07152970933398 15.999 15 O 0.67258888191322 0.00747504020191 0.40926235124701 15.999 16 O 0.67258888191322 0.49252495979809 0.40926235124701 15.999 17 O 0.32741111808678 0.99252495979809 0.59073764875299 15.999 18 O 0.32741111808678 0.50747504020191 0.59073764875299 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.714327860349799 0.000000000000000 0.000000000000000 b 0.000000000000000 12.345272100000004 0.000000000000000 c -3.866470301872598 0.000000000000000 14.781298019801175 Atomic positions (fractional): 1 Sr 0.19850832161374 0.12500000000000 0.42553344696527 87.620 > 1 2 Sr 0.69850832161374 0.12500000000000 0.42553344696527 87.620 > 1 3 Sr 0.19850832161374 0.62500000000000 0.42553344696527 87.620 > 1 4 Sr 0.69850832161374 0.62500000000000 0.42553344696527 87.620 > 1 5 Sr 0.19850832161374 0.12500000000000 0.92553344696527 87.620 > 1 6 Sr 0.69850832161374 0.12500000000000 0.92553344696527 87.620 > 1 7 Sr 0.19850832161374 0.62500000000000 0.92553344696527 87.620 > 1 8 Sr 0.69850832161374 0.62500000000000 0.92553344696527 87.620 > 1 9 Sr 0.30149167838626 0.37500000000000 0.07446655303473 87.620 > 9 10 Sr 0.80149167838626 0.37500000000000 0.07446655303473 87.620 > 9 11 Sr 0.30149167838626 0.87500000000000 0.07446655303473 87.620 > 9 12 Sr 0.80149167838626 0.87500000000000 0.07446655303473 87.620 > 9 13 Sr 0.30149167838626 0.37500000000000 0.57446655303473 87.620 > 9 14 Sr 0.80149167838626 0.37500000000000 0.57446655303473 87.620 > 9 15 Sr 0.30149167838626 0.87500000000000 0.57446655303473 87.620 > 9 16 Sr 0.80149167838626 0.87500000000000 0.57446655303473 87.620 > 9 17 Sr 0.18450873388342 0.12500000000000 0.17134792673683 87.620 > 17 18 Sr 0.68450873388342 0.12500000000000 0.17134792673683 87.620 > 17 19 Sr 0.18450873388342 0.62500000000000 0.17134792673683 87.620 > 17 20 Sr 0.68450873388342 0.62500000000000 0.17134792673683 87.620 > 17 21 Sr 0.18450873388342 0.12500000000000 0.67134792673683 87.620 > 17 22 Sr 0.68450873388342 0.12500000000000 0.67134792673683 87.620 > 17 23 Sr 0.18450873388342 0.62500000000000 0.67134792673683 87.620 > 17 24 Sr 0.68450873388342 0.62500000000000 0.67134792673683 87.620 > 17 25 Sr 0.31549126611659 0.37500000000000 0.32865207326317 87.620 > 25 26 Sr 0.81549126611658 0.37500000000000 0.32865207326317 87.620 > 25 27 Sr 0.31549126611659 0.87500000000000 0.32865207326317 87.620 > 25 28 Sr 0.81549126611658 0.87500000000000 0.32865207326317 87.620 > 25 29 Sr 0.31549126611659 0.37500000000000 0.82865207326317 87.620 > 25 30 Sr 0.81549126611658 0.37500000000000 0.82865207326317 87.620 > 25 31 Sr 0.31549126611659 0.87500000000000 0.82865207326317 87.620 > 25 32 Sr 0.81549126611658 0.87500000000000 0.82865207326317 87.620 > 25 33 Bi 0.44475082319326 0.12500000000000 0.48195778870638 208.980 > 33 34 Bi 0.94475082319326 0.12500000000000 0.48195778870638 208.980 > 33 35 Bi 0.44475082319326 0.62500000000000 0.48195778870638 208.980 > 33 36 Bi 0.94475082319326 0.62500000000000 0.48195778870638 208.980 > 33 37 Bi 0.44475082319326 0.12500000000000 0.98195778870638 208.980 > 33 38 Bi 0.94475082319326 0.12500000000000 0.98195778870638 208.980 > 33 39 Bi 0.44475082319326 0.62500000000000 0.98195778870638 208.980 > 33 40 Bi 0.94475082319326 0.62500000000000 0.98195778870638 208.980 > 33 41 Bi 0.05524917680674 0.37500000000000 0.01804221129362 208.980 > 41 42 Bi 0.55524917680674 0.37500000000000 0.01804221129362 208.980 > 41 43 Bi 0.05524917680674 0.87500000000000 0.01804221129362 208.980 > 41 44 Bi 0.55524917680674 0.87500000000000 0.01804221129362 208.980 > 41 45 Bi 0.05524917680674 0.37500000000000 0.51804221129362 208.980 > 41 46 Bi 0.55524917680674 0.37500000000000 0.51804221129362 208.980 > 41 47 Bi 0.05524917680674 0.87500000000000 0.51804221129362 208.980 > 41 48 Bi 0.55524917680674 0.87500000000000 0.51804221129362 208.980 > 41 49 Bi 0.43579619806467 0.12500000000000 0.23896384792889 208.980 > 49 50 Bi 0.93579619806467 0.12500000000000 0.23896384792889 208.980 > 49 51 Bi 0.43579619806467 0.62500000000000 0.23896384792889 208.980 > 49 52 Bi 0.93579619806467 0.62500000000000 0.23896384792889 208.980 > 49 53 Bi 0.43579619806467 0.12500000000000 0.73896384792889 208.980 > 49 54 Bi 0.93579619806467 0.12500000000000 0.73896384792889 208.980 > 49 55 Bi 0.43579619806467 0.62500000000000 0.73896384792889 208.980 > 49 56 Bi 0.93579619806467 0.62500000000000 0.73896384792889 208.980 > 49 57 Bi 0.06420380193533 0.37500000000000 0.26103615207111 208.980 > 57 58 Bi 0.56420380193533 0.37500000000000 0.26103615207111 208.980 > 57 59 Bi 0.06420380193533 0.87500000000000 0.26103615207111 208.980 > 57 60 Bi 0.56420380193533 0.87500000000000 0.26103615207111 208.980 > 57 61 Bi 0.06420380193533 0.37500000000000 0.76103615207111 208.980 > 57 62 Bi 0.56420380193533 0.37500000000000 0.76103615207111 208.980 > 57 63 Bi 0.06420380193533 0.87500000000000 0.76103615207111 208.980 > 57 64 Bi 0.56420380193533 0.87500000000000 0.76103615207111 208.980 > 57 65 O 0.00277392873918 0.37500000000000 0.37408313335686 15.999 > 65 66 O 0.50277392873918 0.37500000000000 0.37408313335686 15.999 > 65 67 O 0.00277392873918 0.87500000000000 0.37408313335686 15.999 > 65 68 O 0.50277392873918 0.87500000000000 0.37408313335686 15.999 > 65 69 O 0.00277392873918 0.37500000000000 0.87408313335686 15.999 > 65 70 O 0.50277392873918 0.37500000000000 0.87408313335686 15.999 > 65 71 O 0.00277392873918 0.87500000000000 0.87408313335686 15.999 > 65 72 O 0.50277392873918 0.87500000000000 0.87408313335686 15.999 > 65 73 O 0.34421172007450 0.24630235061619 0.46423514533301 15.999 > 73 74 O 0.84421172007450 0.24630235061619 0.46423514533301 15.999 > 73 75 O 0.34421172007450 0.74630235061619 0.46423514533301 15.999 > 73 76 O 0.84421172007450 0.74630235061619 0.46423514533301 15.999 > 73 77 O 0.34421172007450 0.24630235061619 0.96423514533301 15.999 > 73 78 O 0.84421172007450 0.24630235061619 0.96423514533301 15.999 > 73 79 O 0.34421172007450 0.74630235061619 0.96423514533301 15.999 > 73 80 O 0.84421172007450 0.74630235061619 0.96423514533301 15.999 > 73 81 O 0.34421172007450 0.00369764938381 0.46423514533301 15.999 > 81 82 O 0.84421172007450 0.00369764938381 0.46423514533301 15.999 > 81 83 O 0.34421172007450 0.50369764938381 0.46423514533301 15.999 > 81 84 O 0.84421172007450 0.50369764938381 0.46423514533301 15.999 > 81 85 O 0.34421172007450 0.00369764938381 0.96423514533301 15.999 > 81 86 O 0.84421172007450 0.00369764938381 0.96423514533301 15.999 > 81 87 O 0.34421172007450 0.50369764938381 0.96423514533301 15.999 > 81 88 O 0.84421172007450 0.50369764938381 0.96423514533301 15.999 > 81 89 O 0.49722607126082 0.12500000000000 0.12591686664314 15.999 > 89 90 O 0.99722607126082 0.12500000000000 0.12591686664314 15.999 > 89 91 O 0.49722607126082 0.62500000000000 0.12591686664314 15.999 > 89 92 O 0.99722607126082 0.62500000000000 0.12591686664314 15.999 > 89 93 O 0.49722607126082 0.12500000000000 0.62591686664314 15.999 > 89 94 O 0.99722607126082 0.12500000000000 0.62591686664314 15.999 > 89 95 O 0.49722607126082 0.62500000000000 0.62591686664314 15.999 > 89 96 O 0.99722607126082 0.62500000000000 0.62591686664314 15.999 > 89 97 O 0.15578827992550 0.49630235061619 0.03576485466699 15.999 > 97 98 O 0.65578827992550 0.49630235061619 0.03576485466699 15.999 > 97 99 O 0.15578827992550 0.99630235061619 0.03576485466699 15.999 > 97 100 O 0.65578827992550 0.99630235061619 0.03576485466699 15.999 > 97 101 O 0.15578827992550 0.49630235061619 0.53576485466699 15.999 > 97 102 O 0.65578827992550 0.49630235061619 0.53576485466699 15.999 > 97 103 O 0.15578827992550 0.99630235061619 0.53576485466699 15.999 > 97 104 O 0.65578827992550 0.99630235061619 0.53576485466699 15.999 > 97 105 O 0.15578827992550 0.25369764938381 0.03576485466699 15.999 > 105 106 O 0.65578827992550 0.25369764938381 0.03576485466699 15.999 > 105 107 O 0.15578827992550 0.75369764938381 0.03576485466699 15.999 > 105 108 O 0.65578827992550 0.75369764938381 0.03576485466699 15.999 > 105 109 O 0.15578827992550 0.25369764938381 0.53576485466699 15.999 > 105 110 O 0.65578827992550 0.25369764938381 0.53576485466699 15.999 > 105 111 O 0.15578827992550 0.75369764938381 0.53576485466699 15.999 > 105 112 O 0.65578827992550 0.75369764938381 0.53576485466699 15.999 > 105 113 O 0.33629444095661 0.00373752010095 0.20463117562350 15.999 > 113 114 O 0.83629444095661 0.00373752010095 0.20463117562350 15.999 > 113 115 O 0.33629444095661 0.50373752010095 0.20463117562350 15.999 > 113 116 O 0.83629444095661 0.50373752010095 0.20463117562350 15.999 > 113 117 O 0.33629444095661 0.00373752010095 0.70463117562350 15.999 > 113 118 O 0.83629444095661 0.00373752010095 0.70463117562350 15.999 > 113 119 O 0.33629444095661 0.50373752010095 0.70463117562350 15.999 > 113 120 O 0.83629444095661 0.50373752010095 0.70463117562350 15.999 > 113 121 O 0.33629444095661 0.24626247989905 0.20463117562350 15.999 > 121 122 O 0.83629444095661 0.24626247989905 0.20463117562350 15.999 > 121 123 O 0.33629444095661 0.74626247989905 0.20463117562350 15.999 > 121 124 O 0.83629444095661 0.74626247989905 0.20463117562350 15.999 > 121 125 O 0.33629444095661 0.24626247989905 0.70463117562350 15.999 > 121 126 O 0.83629444095661 0.24626247989905 0.70463117562350 15.999 > 121 127 O 0.33629444095661 0.74626247989905 0.70463117562350 15.999 > 121 128 O 0.83629444095661 0.74626247989905 0.70463117562350 15.999 > 121 129 O 0.16370555904339 0.49626247989905 0.29536882437650 15.999 > 129 130 O 0.66370555904339 0.49626247989905 0.29536882437650 15.999 > 129 131 O 0.16370555904339 0.99626247989905 0.29536882437650 15.999 > 129 132 O 0.66370555904339 0.99626247989905 0.29536882437650 15.999 > 129 133 O 0.16370555904339 0.49626247989905 0.79536882437650 15.999 > 129 134 O 0.66370555904339 0.49626247989905 0.79536882437650 15.999 > 129 135 O 0.16370555904339 0.99626247989905 0.79536882437650 15.999 > 129 136 O 0.66370555904339 0.99626247989905 0.79536882437650 15.999 > 129 137 O 0.16370555904339 0.25373752010095 0.29536882437650 15.999 > 137 138 O 0.66370555904339 0.25373752010095 0.29536882437650 15.999 > 137 139 O 0.16370555904339 0.75373752010095 0.29536882437650 15.999 > 137 140 O 0.66370555904339 0.75373752010095 0.29536882437650 15.999 > 137 141 O 0.16370555904339 0.25373752010095 0.79536882437650 15.999 > 137 142 O 0.66370555904339 0.25373752010095 0.79536882437650 15.999 > 137 143 O 0.16370555904339 0.75373752010095 0.79536882437650 15.999 > 137 144 O 0.66370555904339 0.75373752010095 0.79536882437650 15.999 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2982524 0.0000000 -0.2786718 0.0000000 4.6228424 0.0000000 -0.2786725 0.0000000 5.2954421 -------------------------- Born effective charges -------------------------- 1 Sr 2.6273572 0.0000000 0.0850549 0.0000000 2.8037319 0.0000000 0.0878144 0.0000000 2.4191684 2 Sr 2.6273572 0.0000000 0.0850549 0.0000000 2.8037319 0.0000000 0.0878144 0.0000000 2.4191684 3 Sr 2.7981600 0.0000000 0.0765063 0.0000000 2.5641848 0.0000000 0.0395263 0.0000000 2.4808523 4 Sr 2.7981600 0.0000000 0.0765063 0.0000000 2.5641848 0.0000000 0.0395263 0.0000000 2.4808523 5 Bi 2.2793782 0.0000000 0.2491234 0.0000000 3.2289324 0.0000000 0.7037514 0.0000000 2.8145982 6 Bi 2.2793782 0.0000000 0.2491234 0.0000000 3.2289324 0.0000000 0.7037514 0.0000000 2.8145982 7 Bi 2.7663067 0.0000000 -0.2501326 0.0000000 3.1020906 0.0000000 -0.6698422 0.0000000 2.1374302 8 Bi 2.7663067 0.0000000 -0.2501326 0.0000000 3.1020906 0.0000000 -0.6698422 0.0000000 2.1374302 9 O -1.7415970 0.0000000 0.8193231 0.0000000 -1.2465372 0.0000000 0.8466365 0.0000000 -4.3724464 10 O -2.2455503 0.2810021 -0.1506773 0.8631717 -2.6476135 0.0600486 -0.3366791 0.2704358 -1.3447255 11 O -2.2455503 -0.2810021 -0.1506773 -0.8631717 -2.6476135 -0.0600486 -0.3366791 -0.2704358 -1.3447255 12 O -1.7415970 0.0000000 0.8193231 0.0000000 -1.2465372 0.0000000 0.8466365 0.0000000 -4.3724464 13 O -2.2455503 -0.2810021 -0.1506773 -0.8631717 -2.6476135 -0.0600486 -0.3366791 -0.2704358 -1.3447255 14 O -2.2455503 0.2810021 -0.1506773 0.8631717 -2.6476135 0.0600486 -0.3366791 0.2704358 -1.3447255 15 O -2.1192523 -0.4323221 -0.3392603 -0.8208314 -2.5785878 -0.3982898 -0.1672641 0.0562933 -1.3950758 16 O -2.1192523 0.4323221 -0.3392603 0.8208314 -2.5785878 0.3982898 -0.1672641 -0.0562933 -1.3950758 17 O -2.1192523 -0.4323221 -0.3392603 -0.8208314 -2.5785878 -0.3982898 -0.1672641 0.0562933 -1.3950758 18 O -2.1192523 0.4323221 -0.3392603 0.8208314 -2.5785878 0.3982898 -0.1672641 -0.0562933 -1.3950758 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000011 (yzy) -0.00000011 (yzy) -0.00000011 (yyz) 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 8 7 ] 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: 0.60, Number of G-points: 309, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 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 1.173 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.646 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 8.059 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 9.284 ( 0.000 0.000 0.000) 0.000 9.376 ( 0.000 0.000 0.000) 0.000 9.514 ( 0.000 0.000 0.000) 0.000 10.441 ( 0.000 0.000 0.000) 0.000 10.640 ( 0.000 0.000 0.000) 0.000 11.197 ( 0.000 0.000 0.000) 0.000 15.419 ( 0.000 0.000 0.000) 0.000 15.866 ( 0.000 0.000 0.000) 0.000 16.069 ( 0.000 0.000 0.000) 0.000 16.130 ( 0.000 0.000 0.000) 0.000 16.220 ( 0.000 0.000 0.000) 0.000 16.401 ( 0.000 0.000 0.000) 0.000 18.130 ( 0.000 0.000 0.000) 0.000 18.389 ( 0.000 0.000 0.000) 0.000 18.716 ( 0.000 0.000 0.000) 0.000 19.114 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 17.158 0.000 7.275) 18.637 0.433 ( 20.749 0.000 4.924) 21.326 0.611 ( 26.557 0.000 12.451) 29.331 1.156 ( -1.456 0.000 -0.225) 1.473 1.731 ( -6.926 0.000 6.369) 9.409 1.905 ( -0.134 0.000 1.723) 1.729 1.958 ( -2.173 0.000 -3.298) 3.950 2.017 ( 5.121 0.000 -7.077) 8.735 2.480 ( -3.086 0.000 -3.040) 4.331 2.571 ( -5.216 0.000 -1.193) 5.351 2.625 ( 4.339 0.000 0.151) 4.341 2.661 ( -8.309 0.000 -1.119) 8.384 3.139 ( -12.730 0.000 -0.901) 12.762 3.345 ( 1.039 0.000 1.089) 1.505 3.643 ( 0.851 0.000 0.351) 0.921 3.730 ( 2.562 0.000 -11.181) 11.471 3.802 ( 0.990 0.000 2.935) 3.098 3.926 ( -1.621 0.000 -0.254) 1.641 3.939 ( 13.915 0.000 7.692) 15.900 4.142 ( 3.345 0.000 4.971) 5.992 4.264 ( -1.346 0.000 -0.492) 1.433 4.482 ( 0.530 0.000 -3.295) 3.337 5.135 ( 0.578 0.000 1.424) 1.536 5.228 ( -3.019 0.000 -0.794) 3.121 5.374 ( -0.680 0.000 2.018) 2.129 5.431 ( -3.395 0.000 -0.376) 3.416 5.434 ( 0.117 0.000 -1.449) 1.454 5.537 ( 1.784 0.000 0.572) 1.873 6.006 ( -5.891 0.000 -1.436) 6.064 6.377 ( 3.360 0.000 0.483) 3.394 6.643 ( -0.241 0.000 -0.244) 0.343 7.347 ( 0.959 0.000 -0.593) 1.128 7.454 ( 0.372 0.000 1.158) 1.217 7.496 ( 0.799 0.000 -4.331) 4.404 7.950 ( -4.170 0.000 4.144) 5.879 8.092 ( 3.179 0.000 -3.805) 4.958 8.264 ( -7.079 0.000 3.762) 8.016 8.665 ( 7.559 0.000 6.720) 10.114 9.339 ( -3.323 0.000 -1.760) 3.760 9.534 ( 1.983 0.000 0.937) 2.193 10.452 ( 2.719 0.000 -0.397) 2.748 10.607 ( -2.659 0.000 1.780) 3.200 11.196 ( 0.419 0.000 -5.706) 5.721 11.545 ( -2.770 0.000 1.594) 3.196 15.448 ( 2.717 0.000 0.645) 2.793 15.851 ( 0.545 0.000 -5.846) 5.872 16.086 ( -0.864 0.000 7.967) 8.014 16.114 ( -0.453 0.000 -3.987) 4.012 16.230 ( -0.052 0.000 3.577) 3.577 16.376 ( -2.364 0.000 -0.291) 2.381 18.183 ( 1.697 0.000 -8.824) 8.986 18.719 ( 0.277 0.000 -0.363) 0.457 19.129 ( 1.302 0.000 0.323) 1.342 19.611 ( -2.064 0.000 2.601) 3.321 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 15.197 0.000 5.666) 16.219 0.852 ( 19.762 0.000 4.700) 20.313 1.097 ( 8.642 0.000 8.025) 11.793 1.151 ( 9.670 0.000 0.925) 9.714 1.655 ( -4.002 0.000 6.391) 7.541 1.828 ( -7.647 0.000 -0.172) 7.649 1.941 ( 1.032 0.000 -2.593) 2.791 2.036 ( 0.153 0.000 -6.516) 6.518 2.278 ( -18.791 0.000 -5.776) 19.659 2.405 ( -1.428 0.000 -5.277) 5.467 2.584 ( 0.312 0.000 2.076) 2.099 2.706 ( 2.880 0.000 0.336) 2.900 3.000 ( -4.807 0.000 1.770) 5.123 3.380 ( 1.675 0.000 1.588) 2.308 3.646 ( -1.132 0.000 0.522) 1.246 3.724 ( 3.571 0.000 -12.581) 13.078 3.838 ( 1.073 0.000 1.988) 2.259 3.920 ( 1.642 0.000 1.493) 2.219 4.068 ( -0.803 0.000 8.600) 8.638 4.221 ( -2.700 0.000 -0.946) 2.861 4.371 ( 13.074 0.000 3.949) 13.658 4.479 ( 1.271 0.000 -4.324) 4.507 5.134 ( -1.371 0.000 1.055) 1.730 5.152 ( -4.410 0.000 -0.145) 4.412 5.340 ( -5.139 0.000 -1.111) 5.258 5.348 ( -2.331 0.000 4.653) 5.204 5.434 ( 0.687 0.000 -5.434) 5.478 5.602 ( 3.867 0.000 2.057) 4.380 5.879 ( -5.648 0.000 -1.985) 5.986 6.436 ( 2.307 0.000 0.207) 2.316 6.636 ( -0.251 0.000 -0.268) 0.367 7.366 ( 1.211 0.000 -0.788) 1.445 7.454 ( -1.004 0.000 0.954) 1.385 7.511 ( 1.678 0.000 0.713) 1.823 7.895 ( -3.311 0.000 3.539) 4.847 8.126 ( 2.054 0.000 -3.035) 3.664 8.208 ( -0.686 0.000 4.432) 4.485 8.762 ( -1.670 0.000 3.163) 3.576 9.271 ( -1.251 0.000 -1.156) 1.704 9.588 ( 2.633 0.000 0.469) 2.674 10.516 ( 3.646 0.000 -2.203) 4.259 10.600 ( 1.426 0.000 5.877) 6.048 11.118 ( -5.099 0.000 -8.330) 9.766 11.505 ( -1.777 0.000 1.134) 2.108 15.522 ( 4.111 0.000 0.973) 4.225 15.845 ( 1.631 0.000 -4.357) 4.652 16.078 ( -1.262 0.000 -3.230) 3.468 16.098 ( -1.670 0.000 5.744) 5.982 16.245 ( 0.046 0.000 1.247) 1.248 16.319 ( -3.091 0.000 0.939) 3.231 18.173 ( 0.789 0.000 -4.484) 4.552 18.720 ( 0.046 0.000 -0.531) 0.533 19.162 ( 1.683 0.000 0.487) 1.752 19.577 ( -1.909 0.000 0.101) 1.912 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 4.740 0.000 1.788) 5.067 1.154 ( 3.973 0.000 1.034) 4.105 1.246 ( 18.323 0.000 4.328) 18.827 1.387 ( 3.853 0.000 2.578) 4.636 1.609 ( -14.673 0.000 -3.040) 14.985 1.640 ( -0.191 0.000 3.440) 3.446 1.942 ( 0.017 0.000 -0.577) 0.577 1.971 ( -7.740 0.000 -2.719) 8.203 1.986 ( -1.323 0.000 -3.093) 3.364 2.386 ( 0.943 0.000 -2.526) 2.696 2.633 ( 2.367 0.000 1.494) 2.799 2.727 ( -0.256 0.000 -0.081) 0.268 2.922 ( -3.245 0.000 0.276) 3.257 3.413 ( 0.779 0.000 0.770) 1.096 3.619 ( -1.159 0.000 0.223) 1.181 3.737 ( 2.017 0.000 -5.373) 5.739 3.864 ( 0.624 0.000 0.872) 1.073 3.990 ( 3.411 0.000 1.485) 3.720 4.083 ( -0.658 0.000 3.815) 3.871 4.154 ( -3.008 0.000 -1.142) 3.218 4.485 ( 0.805 0.000 -1.970) 2.128 4.576 ( 5.454 0.000 1.708) 5.715 5.077 ( -2.432 0.000 -0.286) 2.449 5.109 ( -1.104 0.000 0.429) 1.185 5.248 ( -2.827 0.000 -0.893) 2.965 5.353 ( -0.020 0.000 6.031) 6.031 5.398 ( -0.920 0.000 -6.282) 6.349 5.689 ( 3.554 0.000 2.533) 4.364 5.776 ( -3.826 0.000 -2.299) 4.464 6.466 ( 0.746 0.000 0.013) 0.747 6.632 ( -0.100 0.000 -0.099) 0.140 7.381 ( 0.547 0.000 -0.373) 0.662 7.440 ( -0.570 0.000 0.577) 0.811 7.545 ( 0.994 0.000 0.642) 1.183 7.863 ( -1.230 0.000 1.424) 1.882 8.142 ( 0.663 0.000 -1.165) 1.341 8.264 ( 3.085 0.000 2.862) 4.208 8.661 ( -6.058 0.000 -0.535) 6.081 9.284 ( 1.327 0.000 0.467) 1.406 9.623 ( 0.841 0.000 -0.173) 0.858 10.554 ( 1.347 0.000 -0.912) 1.627 10.730 ( 7.493 0.000 7.170) 10.370 10.934 ( -8.668 0.000 -8.028) 11.815 11.486 ( -0.575 0.000 0.237) 0.622 15.596 ( 2.335 0.000 0.551) 2.399 15.862 ( 1.049 0.000 -0.935) 1.405 16.040 ( -1.128 0.000 -1.093) 1.571 16.086 ( -1.019 0.000 1.452) 1.774 16.238 ( -0.301 0.000 -1.502) 1.532 16.287 ( -0.995 0.000 2.011) 2.244 18.169 ( 0.330 0.000 -1.481) 1.517 18.717 ( -0.078 0.000 -0.261) 0.272 19.190 ( 0.796 0.000 0.264) 0.838 19.548 ( -0.863 0.000 -0.226) 0.892 ======================= Grid point 7 (5/125) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 0.000 17.283 0.000) 17.283 0.452 ( 0.000 21.995 0.000) 21.995 0.895 ( 0.000 40.726 0.000) 40.726 1.184 ( 0.000 0.967 0.000) 0.967 1.670 ( 0.000 -7.646 0.000) 7.646 1.921 ( 0.000 -2.142 0.000) 2.142 2.032 ( 0.000 2.438 0.000) 2.438 2.032 ( 0.000 7.083 0.000) 7.083 2.425 ( 0.000 -7.205 0.000) 7.205 2.513 ( 0.000 -5.793 0.000) 5.793 2.677 ( 0.000 2.468 0.000) 2.468 2.927 ( 0.000 0.916 0.000) 0.916 3.260 ( 0.000 -6.808 0.000) 6.808 3.395 ( 0.000 -7.324 0.000) 7.324 3.519 ( 0.000 -1.638 0.000) 1.638 3.635 ( 0.000 0.683 0.000) 0.683 3.717 ( 0.000 -3.287 0.000) 3.287 3.834 ( 0.000 4.288 0.000) 4.288 3.972 ( 0.000 2.127 0.000) 2.127 4.212 ( 0.000 3.139 0.000) 3.139 4.378 ( 0.000 9.170 0.000) 9.170 4.517 ( 0.000 3.146 0.000) 3.146 4.775 ( 0.000 -2.735 0.000) 2.735 5.184 ( 0.000 4.483 0.000) 4.483 5.344 ( 0.000 -1.159 0.000) 1.159 5.388 ( 0.000 -0.774 0.000) 0.774 5.588 ( 0.000 7.308 0.000) 7.308 5.853 ( 0.000 10.221 0.000) 10.221 6.395 ( 0.000 5.951 0.000) 5.951 6.689 ( 0.000 4.082 0.000) 4.082 7.184 ( 0.000 -1.351 0.000) 1.351 7.328 ( 0.000 -1.059 0.000) 1.059 7.442 ( 0.000 -0.423 0.000) 0.423 7.487 ( 0.000 -0.683 0.000) 0.683 8.022 ( 0.000 2.840 0.000) 2.840 8.139 ( 0.000 5.346 0.000) 5.346 8.317 ( 0.000 -0.868 0.000) 0.868 8.375 ( 0.000 -1.750 0.000) 1.750 9.312 ( 0.000 2.662 0.000) 2.662 9.369 ( 0.000 -0.511 0.000) 0.511 9.500 ( 0.000 -1.205 0.000) 1.205 10.402 ( 0.000 -3.636 0.000) 3.636 10.575 ( 0.000 -6.148 0.000) 6.148 11.146 ( 0.000 -5.031 0.000) 5.031 15.859 ( 0.000 -0.542 0.000) 0.542 15.992 ( 0.000 -3.757 0.000) 3.757 16.215 ( 0.000 6.842 0.000) 6.842 16.270 ( 0.000 4.329 0.000) 4.329 16.537 ( 0.000 13.334 0.000) 13.334 18.144 ( 0.000 1.354 0.000) 1.354 18.396 ( 0.000 0.723 0.000) 0.723 18.573 ( 0.000 -6.190 0.000) 6.190 18.699 ( 0.000 -2.301 0.000) 2.301 19.075 ( 0.000 -3.966 0.000) 3.966 ======================= Grid point 8 (6/125) ======================= q-point: ( 0.14 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 10.502 11.535 7.395) 17.264 0.544 ( 9.553 13.685 4.580) 17.307 1.101 ( 14.421 29.654 4.119) 33.230 1.176 ( 0.710 4.293 0.629) 4.396 1.617 ( -5.003 -7.065 3.948) 9.515 1.944 ( -1.262 -0.180 0.438) 1.348 2.005 ( 0.601 1.317 -3.264) 3.571 2.040 ( 1.537 5.463 -3.618) 6.730 2.398 ( -2.039 -6.480 -0.249) 6.798 2.565 ( 2.559 -3.421 -4.147) 5.954 2.645 ( -1.583 1.489 3.294) 3.946 2.724 ( -14.857 4.236 -4.490) 16.089 3.170 ( -9.259 1.482 -0.554) 9.393 3.279 ( 1.234 -6.350 1.012) 6.548 3.602 ( 0.661 -5.191 -5.431) 7.541 3.715 ( 2.367 0.232 -2.607) 3.529 3.759 ( 3.373 -2.695 0.743) 4.381 3.877 ( 6.153 -1.943 3.404) 7.295 3.963 ( -0.922 2.138 2.810) 3.650 4.196 ( -1.303 3.406 3.637) 5.150 4.402 ( 3.542 10.661 1.016) 11.280 4.520 ( 1.117 3.487 -3.976) 5.405 4.902 ( 6.078 -10.365 1.913) 12.166 5.203 ( 1.275 4.307 0.540) 4.525 5.332 ( -1.879 -1.435 3.154) 3.942 5.405 ( 1.941 -1.198 -3.132) 3.875 5.579 ( -2.104 8.584 1.903) 9.040 5.800 ( -3.223 12.597 -2.704) 13.281 6.198 ( -13.992 9.701 -2.608) 17.224 6.687 ( -0.119 4.156 -0.468) 4.184 6.811 ( -9.876 28.315 -2.204) 30.069 7.334 ( 0.570 -1.300 -0.156) 1.428 7.451 ( 0.483 -0.370 1.215) 1.359 7.490 ( 1.008 -0.526 -4.243) 4.393 7.987 ( -4.038 3.477 4.004) 6.665 8.150 ( 2.857 5.443 -3.971) 7.318 8.253 ( -6.624 -1.091 3.862) 7.745 8.590 ( 9.564 -6.642 6.439) 13.306 9.312 ( -3.199 -2.659 -1.460) 4.408 9.513 ( 1.359 -1.967 0.866) 2.543 10.238 ( 44.325 -48.071 7.703) 65.839 10.425 ( 2.441 -4.795 -0.073) 5.381 10.555 ( -1.279 -7.197 3.504) 8.106 11.171 ( 2.898 -5.576 -1.824) 6.544 15.844 ( 0.925 -0.523 -7.380) 7.456 16.003 ( -0.410 -3.428 3.870) 5.186 16.209 ( -0.840 7.626 -0.075) 7.672 16.265 ( -2.367 5.353 3.621) 6.882 16.477 ( -7.875 14.813 -1.984) 16.893 16.923 ( -50.200 57.972 -9.238) 77.241 18.197 ( 1.576 1.263 -8.994) 9.217 18.674 ( 0.171 -4.433 -0.007) 4.436 18.993 ( 2.226 -13.460 1.144) 13.691 19.393 ( 12.515 -12.237 5.334) 18.298 ======================= Grid point 9 (7/125) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 13.634 4.396 8.884) 16.856 0.800 ( 13.010 1.708 3.170) 13.499 1.139 ( -1.033 1.763 0.666) 2.149 1.450 ( 11.769 20.644 3.873) 24.077 1.561 ( -1.017 -4.612 4.117) 6.265 1.852 ( -5.541 1.910 -1.073) 5.958 2.027 ( -0.231 -0.387 -5.548) 5.566 2.041 ( 1.370 6.850 -0.612) 7.013 2.337 ( -16.075 5.404 -5.556) 17.846 2.367 ( -1.226 -3.036 -1.700) 3.689 2.556 ( -1.220 -1.935 -1.589) 2.785 2.723 ( 4.139 0.937 2.141) 4.753 3.051 ( -4.549 4.123 1.010) 6.222 3.317 ( 1.635 -6.190 1.699) 6.624 3.587 ( 1.579 -6.188 -6.070) 8.811 3.719 ( -0.181 0.294 -3.480) 3.497 3.790 ( 0.185 -2.687 -0.095) 2.695 3.935 ( 1.560 0.438 1.608) 2.283 4.016 ( 1.313 -4.509 3.429) 5.815 4.189 ( -2.131 2.475 4.981) 5.956 4.501 ( 2.717 3.643 -3.109) 5.506 4.576 ( 9.049 9.929 0.913) 13.465 4.962 ( -0.017 -8.146 0.673) 8.174 5.210 ( -0.920 4.381 -0.492) 4.504 5.313 ( -1.927 -2.150 4.460) 5.313 5.405 ( -0.533 -1.222 -4.338) 4.539 5.502 ( -5.071 11.362 -0.102) 12.442 5.778 ( 1.650 12.532 0.218) 12.642 5.987 ( -6.931 9.896 -1.551) 12.181 6.681 ( -0.110 4.276 -0.566) 4.315 6.723 ( -1.673 23.694 -0.441) 23.757 7.346 ( 0.678 -1.911 -0.415) 2.070 7.456 ( -0.498 0.129 0.510) 0.724 7.507 ( 1.762 -0.378 0.442) 1.855 7.929 ( -3.580 3.229 3.373) 5.884 8.184 ( 2.336 5.434 -3.309) 6.777 8.200 ( -0.742 -0.742 4.387) 4.510 8.709 ( -0.561 -5.053 3.048) 5.928 9.244 ( -1.781 -2.675 -0.718) 3.293 9.553 ( 1.949 -3.453 0.412) 3.986 10.485 ( 3.571 -2.863 -1.832) 4.930 10.514 ( 1.159 -10.358 3.834) 11.106 10.768 ( 7.668 -32.739 -0.695) 33.632 11.241 ( 4.478 -10.743 -0.103) 11.640 15.837 ( 1.947 -0.329 -5.901) 6.222 15.995 ( -6.015 8.003 6.001) 11.672 16.032 ( -9.416 19.045 -7.195) 22.431 16.207 ( -1.822 7.073 2.387) 7.684 16.330 ( -1.380 7.151 1.957) 7.541 16.538 ( -5.032 25.209 -0.699) 25.716 18.185 ( 0.778 1.178 -4.494) 4.710 18.675 ( 0.020 -4.469 -0.527) 4.500 19.028 ( 1.275 -12.712 0.703) 12.796 19.514 ( 1.595 -5.544 0.815) 5.826 ======================= Grid point 10 (8/125) ======================= q-point: ( 0.43 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 6.292 2.494 1.290) 6.891 1.040 ( 5.933 -7.421 3.058) 9.981 1.160 ( 3.330 0.494 2.066) 3.950 1.486 ( -1.486 -3.781 3.048) 5.079 1.617 ( -2.496 4.442 -2.878) 5.852 1.817 ( 3.077 15.848 1.312) 16.197 1.973 ( -1.944 -0.320 -2.255) 2.995 2.046 ( -4.709 8.281 -0.981) 9.577 2.060 ( -3.438 9.311 -1.647) 10.061 2.371 ( 1.268 -1.175 -1.425) 2.240 2.568 ( 1.387 -5.299 0.338) 5.488 2.774 ( 0.615 3.540 0.438) 3.620 2.983 ( -2.389 5.444 0.266) 5.951 3.348 ( 0.693 -6.353 0.817) 6.442 3.599 ( 0.918 -3.740 -1.189) 4.031 3.691 ( -0.130 -1.823 -2.795) 3.339 3.785 ( -0.238 -6.112 -0.322) 6.125 3.988 ( 1.780 -2.833 2.720) 4.312 4.023 ( -0.571 -2.730 -1.007) 2.965 4.172 ( -1.285 4.555 2.584) 5.392 4.518 ( 0.984 2.949 -2.022) 3.708 4.771 ( 8.042 10.101 2.368) 13.126 4.923 ( -3.727 -6.187 -0.971) 7.288 5.179 ( -1.202 4.183 -0.357) 4.367 5.294 ( -1.719 0.377 1.950) 2.627 5.359 ( -1.105 -0.435 -1.125) 1.636 5.437 ( -1.274 8.826 -1.304) 9.012 5.827 ( 2.118 11.325 1.979) 11.690 5.887 ( -2.925 10.323 -1.857) 10.889 6.678 ( -0.013 4.360 -0.304) 4.370 6.703 ( -0.445 20.872 -0.063) 20.877 7.353 ( 0.235 -2.399 -0.131) 2.414 7.449 ( -0.258 0.538 0.222) 0.637 7.541 ( 1.017 -0.372 0.555) 1.217 7.892 ( -1.356 2.731 1.319) 3.322 8.199 ( 0.594 4.593 -0.926) 4.723 8.256 ( 3.034 -0.012 2.374) 3.852 8.629 ( -5.301 -2.975 -0.388) 6.091 9.246 ( 0.894 -3.755 0.512) 3.893 9.579 ( 0.654 -4.362 -0.143) 4.413 10.518 ( 1.195 -3.227 -0.714) 3.515 10.608 ( 4.596 -14.520 4.534) 15.891 10.763 ( -3.288 -14.511 -4.357) 15.503 11.305 ( 1.609 -13.104 0.229) 13.204 15.838 ( -1.311 14.464 -3.178) 14.867 15.864 ( -1.078 6.312 1.826) 6.658 15.991 ( -0.588 -3.284 -0.649) 3.399 16.188 ( -0.790 7.734 0.558) 7.795 16.330 ( -0.060 4.685 1.007) 4.792 16.475 ( -1.595 22.013 -0.220) 22.072 18.181 ( 0.325 1.166 -1.483) 1.914 18.672 ( -0.068 -4.475 -0.287) 4.484 19.049 ( 0.524 -13.034 0.305) 13.048 19.525 ( 0.002 -2.766 -0.019) 2.766 ======================= Grid point 14 (9/125) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 0.000 14.924 0.000) 14.924 0.885 ( 0.000 20.618 0.000) 20.618 1.189 ( 0.000 -0.693 0.000) 0.693 1.563 ( 0.000 8.863 0.000) 8.863 1.575 ( 0.000 12.951 0.000) 12.951 1.885 ( 0.000 -1.209 0.000) 1.209 2.067 ( 0.000 0.284 0.000) 0.284 2.152 ( 0.000 4.573 0.000) 4.573 2.274 ( 0.000 -6.679 0.000) 6.679 2.358 ( 0.000 -8.828 0.000) 8.828 2.702 ( 0.000 0.072 0.000) 0.072 2.943 ( 0.000 1.315 0.000) 1.315 3.082 ( 0.000 -10.107 0.000) 10.107 3.290 ( 0.000 -2.260 0.000) 2.260 3.437 ( 0.000 -6.111 0.000) 6.111 3.609 ( 0.000 -3.515 0.000) 3.515 3.718 ( 0.000 3.775 0.000) 3.775 3.959 ( 0.000 7.961 0.000) 7.961 4.031 ( 0.000 3.560 0.000) 3.560 4.273 ( 0.000 3.210 0.000) 3.210 4.550 ( 0.000 -1.244 0.000) 1.244 4.597 ( 0.000 11.401 0.000) 11.401 4.735 ( 0.000 -0.412 0.000) 0.412 5.233 ( 0.000 0.257 0.000) 0.257 5.316 ( 0.000 -1.488 0.000) 1.488 5.358 ( 0.000 -2.766 0.000) 2.766 5.835 ( 0.000 16.098 0.000) 16.098 6.116 ( 0.000 14.221 0.000) 14.221 6.553 ( 0.000 9.139 0.000) 9.139 6.800 ( 0.000 6.481 0.000) 6.481 7.139 ( 0.000 -3.100 0.000) 3.100 7.292 ( 0.000 -2.588 0.000) 2.588 7.430 ( 0.000 -0.702 0.000) 0.702 7.469 ( 0.000 -1.055 0.000) 1.055 8.100 ( 0.000 4.470 0.000) 4.470 8.278 ( 0.000 7.467 0.000) 7.467 8.293 ( 0.000 -1.242 0.000) 1.242 8.320 ( 0.000 -3.646 0.000) 3.646 9.372 ( 0.000 1.364 0.000) 1.364 9.383 ( 0.000 3.982 0.000) 3.982 9.475 ( 0.000 -1.012 0.000) 1.012 10.291 ( 0.000 -8.531 0.000) 8.531 10.428 ( 0.000 -5.972 0.000) 5.972 10.999 ( 0.000 -9.253 0.000) 9.253 15.850 ( 0.000 -0.320 0.000) 0.320 15.929 ( 0.000 -2.592 0.000) 2.592 16.358 ( 0.000 6.895 0.000) 6.895 16.374 ( 0.000 5.524 0.000) 5.524 16.913 ( 0.000 22.622 0.000) 22.622 18.184 ( 0.000 2.612 0.000) 2.612 18.415 ( 0.000 -9.233 0.000) 9.233 18.421 ( 0.000 1.750 0.000) 1.750 18.619 ( 0.000 -5.394 0.000) 5.394 18.951 ( 0.000 -8.282 0.000) 8.282 ======================= Grid point 15 (10/125) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 5.490 12.308 3.552) 13.937 0.873 ( -0.700 17.255 2.319) 17.424 1.182 ( -1.145 -0.254 1.956) 2.280 1.524 ( -4.041 -1.144 2.326) 4.801 1.667 ( 7.371 17.571 0.625) 19.064 1.918 ( 1.848 -1.835 -3.118) 4.063 2.024 ( -0.859 1.644 -0.860) 2.045 2.158 ( 0.777 5.166 -0.826) 5.289 2.250 ( -1.023 -7.340 2.077) 7.696 2.476 ( 8.275 -4.710 -4.318) 10.454 2.656 ( -3.643 -0.137 3.034) 4.743 2.822 ( -10.030 6.731 -2.937) 12.431 3.104 ( 1.471 -10.245 0.403) 10.358 3.194 ( -3.738 1.144 -1.068) 4.053 3.459 ( -0.121 -7.682 -5.850) 9.656 3.675 ( 4.716 -4.830 -0.788) 6.796 3.777 ( 4.027 4.161 3.761) 6.904 3.896 ( -4.058 4.462 -0.933) 6.103 4.029 ( -1.425 3.682 4.613) 6.072 4.256 ( -1.580 2.736 1.656) 3.567 4.563 ( 1.553 0.475 -3.552) 3.905 4.587 ( -0.519 3.909 -0.295) 3.954 4.831 ( 7.805 4.046 1.876) 8.989 5.252 ( 1.825 0.335 -0.542) 1.933 5.296 ( -1.497 -2.077 0.491) 2.607 5.382 ( 1.363 -1.217 -0.146) 1.833 5.840 ( -0.571 16.193 2.095) 16.338 6.081 ( -2.209 14.662 -1.984) 14.960 6.414 ( -9.746 12.195 -1.598) 15.693 6.799 ( 0.083 6.604 -0.711) 6.642 7.172 ( 2.264 7.394 -2.674) 8.183 7.293 ( -0.897 -2.636 3.239) 4.271 7.440 ( 0.749 -0.716 1.682) 1.976 7.475 ( 1.322 -0.945 -3.345) 3.719 8.079 ( -3.265 5.186 3.417) 7.016 8.218 ( -4.986 -2.206 3.624) 6.547 8.290 ( 2.278 7.317 -3.833) 8.568 8.447 ( 7.803 -6.234 3.260) 10.505 9.248 ( -4.547 -2.513 -1.577) 5.429 9.464 ( -0.695 -2.386 0.797) 2.610 9.703 ( 18.981 -10.946 2.993) 22.114 10.318 ( 1.647 -9.080 4.203) 10.141 10.417 ( 0.078 -3.928 -1.702) 4.282 11.018 ( 2.046 -9.406 -1.579) 9.755 15.836 ( 0.390 -0.152 -4.752) 4.771 15.941 ( 0.271 -2.665 1.924) 3.298 16.356 ( -0.587 6.941 1.514) 7.128 16.375 ( -0.654 5.593 2.543) 6.179 16.854 ( -6.153 22.093 -1.586) 22.988 17.713 ( -34.331 26.216 -3.685) 43.353 18.232 ( 1.562 2.224 -10.289) 10.642 18.523 ( -0.276 -11.727 2.936) 12.092 18.690 ( 2.180 -13.094 0.088) 13.274 19.182 ( 12.391 -10.626 4.221) 16.860 ======================= Grid point 16 (11/125) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 1.209 7.884 4.320) 9.071 0.932 ( 8.919 6.810 4.260) 12.003 1.176 ( -0.427 1.399 2.653) 3.030 1.465 ( -3.066 -0.486 1.901) 3.640 1.710 ( -3.494 -1.214 -2.451) 4.437 1.939 ( 3.671 1.676 -6.115) 7.326 2.086 ( 4.142 10.800 4.342) 12.356 2.159 ( 0.839 3.546 -2.086) 4.199 2.274 ( 2.468 -3.882 2.256) 5.124 2.471 ( -4.481 2.855 -5.799) 7.865 2.596 ( -7.971 8.349 -1.742) 11.674 2.745 ( 6.735 3.900 3.435) 8.507 3.117 ( -0.227 -3.151 -1.003) 3.315 3.160 ( -0.455 -3.740 1.981) 4.257 3.434 ( 1.954 -7.814 -6.532) 10.370 3.717 ( -0.290 -0.118 -1.915) 1.941 3.774 ( -3.337 -0.829 -0.475) 3.471 3.882 ( 0.054 -1.150 1.489) 1.882 4.041 ( 0.537 3.918 5.102) 6.455 4.245 ( -0.890 2.535 3.506) 4.417 4.568 ( 1.358 2.363 -4.384) 5.162 4.588 ( 0.679 -8.041 -0.216) 8.073 5.006 ( 8.423 10.416 1.781) 13.513 5.266 ( -1.297 -1.051 -0.899) 1.896 5.283 ( 0.825 0.206 0.958) 1.281 5.387 ( -0.800 0.788 -0.867) 1.419 5.802 ( -4.137 17.245 0.843) 17.754 6.061 ( 1.209 14.951 -0.370) 15.004 6.251 ( -5.995 15.767 -0.787) 16.886 6.796 ( 0.076 6.720 -0.803) 6.768 7.179 ( -0.348 17.188 -0.768) 17.209 7.291 ( -0.184 -3.457 0.369) 3.481 7.460 ( 0.293 0.485 0.103) 0.575 7.495 ( 1.882 -0.837 -0.024) 2.060 8.013 ( -4.325 4.640 2.670) 6.883 8.181 ( -0.953 -0.991 4.232) 4.450 8.322 ( 2.992 7.236 -3.753) 8.683 8.572 ( 2.140 -7.811 2.347) 8.432 9.161 ( -3.465 -5.410 -0.038) 6.425 9.455 ( -0.484 -5.933 0.221) 5.956 10.004 ( 9.440 -25.689 0.255) 27.369 10.382 ( 1.636 -11.787 4.192) 12.617 10.456 ( 5.060 -0.993 -0.297) 5.165 11.049 ( 1.796 -9.838 -1.825) 10.165 15.831 ( 1.276 -0.058 -3.244) 3.486 15.946 ( -0.383 -2.652 0.083) 2.681 16.350 ( -0.879 7.357 1.344) 7.530 16.363 ( -2.577 7.133 2.905) 8.121 16.651 ( -11.592 22.786 -2.821) 25.720 17.213 ( -14.362 34.932 -2.245) 37.836 18.219 ( 0.892 2.173 -4.929) 5.460 18.526 ( -0.123 -11.417 0.454) 11.427 18.719 ( 0.947 -14.761 0.596) 14.803 19.352 ( 4.406 -11.023 1.391) 11.952 ======================= Grid point 17 (12/125) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.466 -0.490 0.920) 1.142 1.141 ( 7.796 2.735 4.581) 9.447 1.186 ( 0.100 2.930 1.354) 3.230 1.407 ( -3.450 -0.095 -0.307) 3.465 1.612 ( -3.298 -4.877 -2.143) 6.265 1.946 ( 0.252 -1.142 -3.589) 3.775 2.131 ( 0.632 8.112 1.063) 8.206 2.222 ( 2.626 10.136 1.226) 10.542 2.351 ( -1.270 5.223 2.070) 5.760 2.360 ( 2.023 7.603 -2.165) 8.161 2.470 ( -4.484 1.213 -2.154) 5.120 2.873 ( 3.707 7.468 0.995) 8.396 3.107 ( -0.082 5.576 -0.261) 5.583 3.170 ( 0.139 -10.301 1.107) 10.361 3.464 ( 2.457 -7.399 -1.935) 8.033 3.664 ( -2.429 -4.285 -1.893) 5.277 3.711 ( -2.410 1.259 -0.092) 2.721 3.890 ( 0.589 -2.737 -0.259) 2.811 4.068 ( -0.308 2.756 3.109) 4.166 4.250 ( -0.008 2.917 1.173) 3.144 4.576 ( 0.962 1.839 -2.170) 3.003 4.603 ( 0.543 -14.058 0.477) 14.076 5.137 ( 3.239 12.267 0.198) 12.689 5.254 ( 1.290 2.068 -0.104) 2.440 5.295 ( -0.058 1.066 1.855) 2.140 5.344 ( -2.551 1.936 -1.874) 3.711 5.732 ( -2.225 18.147 -0.064) 18.283 6.096 ( 1.355 14.387 0.770) 14.471 6.171 ( -2.038 17.279 -0.549) 17.407 6.795 ( 0.048 6.793 -0.335) 6.801 7.166 ( -0.564 20.674 0.072) 20.682 7.291 ( 0.131 -3.645 -0.337) 3.663 7.460 ( -0.012 0.963 -0.197) 0.983 7.529 ( 1.013 -0.854 0.525) 1.425 7.962 ( -1.690 3.767 1.001) 4.249 8.200 ( 0.578 -2.467 1.813) 3.116 8.367 ( 2.545 7.930 -1.136) 8.406 8.553 ( -2.941 -4.031 0.040) 4.990 9.128 ( -0.440 -8.159 0.618) 8.194 9.448 ( -0.216 -8.549 -0.177) 8.554 10.104 ( 2.082 -27.569 0.008) 27.648 10.419 ( 0.957 -9.037 0.506) 9.101 10.546 ( 2.505 -5.103 0.882) 5.752 11.066 ( 0.684 -10.685 -0.748) 10.733 15.847 ( 1.011 -0.232 -0.700) 1.252 15.932 ( -0.586 -2.503 -0.593) 2.638 16.288 ( -3.789 16.615 -0.076) 17.042 16.344 ( -0.501 7.345 0.935) 7.421 16.502 ( -2.541 15.845 -0.341) 16.051 17.053 ( -3.298 32.134 -0.531) 32.307 18.215 ( 0.353 2.185 -1.616) 2.740 18.525 ( -0.026 -10.904 -0.038) 10.905 18.734 ( 0.323 -15.300 0.320) 15.307 19.402 ( 0.938 -10.129 0.248) 10.175 ======================= Grid point 21 (13/125) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 0.000 10.067 0.000) 10.067 1.155 ( 0.000 -2.321 0.000) 2.321 1.280 ( 0.000 18.218 0.000) 18.218 1.604 ( 0.000 4.269 0.000) 4.269 1.801 ( 0.000 0.359 0.000) 0.359 1.864 ( 0.000 -2.023 0.000) 2.023 2.013 ( 0.000 -3.831 0.000) 3.831 2.129 ( 0.000 -7.426 0.000) 7.426 2.213 ( 0.000 0.634 0.000) 0.634 2.264 ( 0.000 0.518 0.000) 0.518 2.694 ( 0.000 -0.206 0.000) 0.206 2.862 ( 0.000 -9.334 0.000) 9.334 3.040 ( 0.000 6.681 0.000) 6.681 3.296 ( 0.000 2.539 0.000) 2.539 3.304 ( 0.000 -6.491 0.000) 6.491 3.514 ( 0.000 -5.753 0.000) 5.753 3.827 ( 0.000 6.391 0.000) 6.391 4.039 ( 0.000 -1.303 0.000) 1.303 4.171 ( 0.000 9.197 0.000) 9.197 4.390 ( 0.000 9.566 0.000) 9.566 4.471 ( 0.000 -5.745 0.000) 5.745 4.725 ( 0.000 -2.142 0.000) 2.142 4.819 ( 0.000 10.470 0.000) 10.470 5.202 ( 0.000 -4.750 0.000) 4.750 5.276 ( 0.000 -3.282 0.000) 3.282 5.287 ( 0.000 -1.322 0.000) 1.322 6.167 ( 0.000 14.958 0.000) 14.958 6.357 ( 0.000 7.813 0.000) 7.813 6.747 ( 0.000 9.553 0.000) 9.553 6.935 ( 0.000 6.064 0.000) 6.064 7.066 ( 0.000 -3.470 0.000) 3.470 7.221 ( 0.000 -4.511 0.000) 4.511 7.416 ( 0.000 -0.457 0.000) 0.457 7.444 ( 0.000 -1.338 0.000) 1.338 8.166 ( 0.000 1.043 0.000) 1.043 8.237 ( 0.000 -4.058 0.000) 4.058 8.303 ( 0.000 3.201 0.000) 3.201 8.395 ( 0.000 2.971 0.000) 2.971 9.441 ( 0.000 3.328 0.000) 3.328 9.450 ( 0.000 2.060 0.000) 2.060 9.485 ( 0.000 5.027 0.000) 5.027 10.034 ( 0.000 -15.501 0.000) 15.501 10.408 ( 0.000 3.715 0.000) 3.715 10.784 ( 0.000 -11.534 0.000) 11.534 15.848 ( 0.000 0.239 0.000) 0.239 15.886 ( 0.000 -1.670 0.000) 1.670 16.475 ( 0.000 4.055 0.000) 4.055 16.476 ( 0.000 4.343 0.000) 4.343 17.404 ( 0.000 24.635 0.000) 24.635 18.195 ( 0.000 -12.981 0.000) 12.981 18.252 ( 0.000 4.132 0.000) 4.132 18.473 ( 0.000 3.629 0.000) 3.629 18.492 ( 0.000 -6.869 0.000) 6.869 18.756 ( 0.000 -10.097 0.000) 10.097 ======================= Grid point 22 (14/125) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 1.832 8.634 2.948) 9.306 1.155 ( -0.549 -1.891 3.432) 3.956 1.214 ( -5.688 15.939 -0.243) 16.926 1.574 ( -2.874 5.283 1.881) 6.302 1.732 ( -6.273 -6.670 -1.152) 9.229 1.867 ( 0.468 -4.971 -2.016) 5.385 2.083 ( 7.186 2.346 -1.890) 7.792 2.139 ( 2.676 -2.488 1.766) 4.058 2.246 ( 2.482 3.515 -0.606) 4.346 2.396 ( 10.562 -3.135 -2.694) 11.342 2.657 ( -3.472 0.859 2.202) 4.200 2.881 ( 0.743 -9.505 2.484) 9.852 3.028 ( -0.330 10.745 -2.388) 11.012 3.218 ( -2.197 1.182 -2.841) 3.781 3.326 ( -0.633 -4.652 -4.118) 6.245 3.542 ( 3.622 -8.145 -0.645) 8.937 3.882 ( 2.478 5.706 5.621) 8.384 4.053 ( -7.654 9.994 -2.433) 12.821 4.063 ( -1.803 -1.010 6.992) 7.291 4.334 ( -2.496 4.325 -2.289) 5.493 4.486 ( -0.700 -4.549 -2.520) 5.248 4.622 ( -4.410 -1.205 -2.875) 5.400 4.989 ( 11.216 8.978 2.636) 14.607 5.234 ( 2.583 -2.149 -2.729) 4.329 5.261 ( -0.922 -0.750 1.692) 2.068 5.336 ( 3.554 -3.473 1.498) 5.191 6.171 ( -0.261 14.919 1.634) 15.010 6.338 ( -1.269 8.934 -0.567) 9.042 6.684 ( -4.129 13.908 -0.861) 14.533 6.942 ( 0.246 7.247 -0.585) 7.274 7.161 ( 8.525 -6.330 -6.407) 12.401 7.224 ( -0.777 -4.886 7.101) 8.655 7.425 ( 0.660 -0.542 1.503) 1.729 7.452 ( 1.086 -1.356 -1.478) 2.281 8.168 ( -0.842 1.379 3.172) 3.560 8.178 ( -4.800 -0.222 2.083) 5.237 8.363 ( 3.891 -1.183 0.593) 4.110 8.403 ( 2.168 2.778 -3.638) 5.065 9.253 ( -9.316 3.125 -2.881) 10.240 9.421 ( -4.611 -2.587 -0.743) 5.339 9.621 ( 6.425 2.048 2.600) 7.228 10.062 ( 1.330 -14.530 4.148) 15.169 10.430 ( 2.695 4.436 -1.277) 5.346 10.803 ( 1.943 -11.386 -0.966) 11.591 15.840 ( 0.199 0.603 -2.626) 2.701 15.894 ( 0.361 -1.998 0.578) 2.111 16.474 ( -0.589 4.292 1.995) 4.769 16.478 ( -0.390 4.126 1.793) 4.516 17.328 ( -7.206 23.685 -1.644) 24.811 18.126 ( -15.859 7.006 -1.510) 17.404 18.214 ( 1.078 -6.435 1.290) 6.651 18.306 ( -2.299 3.977 -5.975) 7.537 18.496 ( 0.454 -7.324 -0.371) 7.348 18.923 ( 8.435 -15.168 2.939) 17.603 ======================= Grid point 23 (15/125) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 3.922 4.918 5.326) 8.243 1.089 ( -5.976 10.702 0.714) 12.278 1.184 ( 1.137 0.035 2.664) 2.897 1.539 ( -1.686 6.192 1.449) 6.579 1.583 ( -6.731 -8.776 -2.832) 11.417 1.876 ( 1.363 -6.475 -0.979) 6.689 2.164 ( 0.575 -0.225 -2.957) 3.020 2.225 ( 4.584 -0.002 -1.302) 4.765 2.329 ( 6.517 8.349 1.749) 10.735 2.523 ( 2.923 2.889 -8.371) 9.326 2.634 ( -0.457 -1.439 7.572) 7.721 2.909 ( 0.791 -10.671 2.491) 10.986 3.039 ( 3.474 17.961 -0.489) 18.300 3.192 ( 0.491 1.625 -2.552) 3.065 3.302 ( 1.999 -4.553 -4.674) 6.824 3.628 ( 4.408 -8.721 0.302) 9.776 3.824 ( -9.296 6.916 -3.661) 12.151 3.935 ( -3.016 4.409 5.226) 7.473 4.087 ( -1.308 -0.190 7.595) 7.709 4.283 ( -3.102 -2.678 -0.918) 4.199 4.413 ( -2.530 -3.409 -2.576) 4.966 4.579 ( 0.923 -1.914 -4.602) 5.069 5.203 ( 7.136 6.269 1.322) 9.590 5.243 ( 0.801 -0.476 -1.319) 1.615 5.274 ( 1.941 0.998 0.720) 2.298 5.414 ( 3.070 0.315 1.406) 3.391 6.159 ( -1.764 16.690 1.460) 16.847 6.331 ( 0.876 9.957 0.308) 10.001 6.614 ( -2.532 19.860 -0.522) 20.027 6.941 ( 0.106 7.297 -0.896) 7.353 7.202 ( 0.262 -5.202 -1.453) 5.407 7.315 ( 4.711 -3.965 0.608) 6.188 7.464 ( 1.945 -1.495 2.939) 3.828 7.472 ( 1.897 -1.336 -1.496) 2.761 8.089 ( -4.813 2.291 1.843) 5.640 8.162 ( -1.813 -1.190 3.103) 3.786 8.421 ( 2.948 0.786 -1.192) 3.276 8.460 ( 3.941 -0.623 -1.403) 4.229 9.072 ( -7.813 -1.119 -1.577) 8.049 9.316 ( -5.002 -7.995 -0.819) 9.466 9.720 ( 2.764 -2.233 1.439) 3.834 10.113 ( 1.491 -14.228 4.383) 14.962 10.493 ( 3.904 4.502 -0.949) 6.034 10.837 ( 1.894 -10.732 -1.317) 10.977 15.838 ( 0.784 0.754 -1.947) 2.230 15.898 ( -0.052 -2.106 -0.513) 2.168 16.472 ( -0.772 4.466 2.434) 5.145 16.477 ( -0.795 4.225 2.093) 4.781 17.133 ( -10.389 24.038 -2.327) 26.290 17.802 ( -13.346 15.666 -2.494) 20.731 18.252 ( 3.248 -4.956 -4.683) 7.553 18.278 ( -1.079 2.528 2.235) 3.543 18.503 ( 0.376 -7.669 -0.137) 7.679 19.049 ( 3.768 -18.998 1.288) 19.410 ======================= Grid point 24 (16/125) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -2.183 8.737 -0.020) 9.005 1.159 ( 3.569 0.643 5.093) 6.252 1.207 ( 0.022 -0.676 -0.445) 0.810 1.459 ( -3.239 -9.292 -1.361) 9.934 1.532 ( -0.529 9.764 -0.079) 9.779 1.896 ( 0.798 -4.579 -0.892) 4.733 2.164 ( 0.658 -1.039 1.603) 2.020 2.243 ( -0.394 -5.345 -3.726) 6.527 2.445 ( 1.406 9.202 1.266) 9.394 2.521 ( 3.392 8.272 -3.452) 9.584 2.635 ( -2.505 3.785 2.500) 5.182 2.930 ( 0.409 -12.051 0.624) 12.074 3.153 ( 5.487 18.653 1.274) 19.485 3.207 ( 1.412 3.362 -0.991) 3.779 3.343 ( 2.545 -3.804 -1.019) 4.689 3.615 ( -5.899 -0.883 -1.900) 6.260 3.712 ( 0.409 -0.522 -0.557) 0.867 3.905 ( -0.715 3.515 1.418) 3.857 4.082 ( -1.576 -2.043 3.414) 4.279 4.190 ( -4.078 -13.888 -0.392) 14.479 4.410 ( 1.274 1.360 -0.689) 1.986 4.580 ( 0.670 -2.001 -2.011) 2.915 5.217 ( -0.507 0.407 -0.336) 0.731 5.265 ( 0.361 -1.675 -0.550) 1.799 5.375 ( 3.930 6.183 1.078) 7.405 5.455 ( 0.637 4.526 0.382) 4.587 6.134 ( -0.928 19.735 0.520) 19.763 6.356 ( 0.873 9.576 0.434) 9.625 6.580 ( -0.812 23.379 -0.131) 23.393 6.939 ( 0.066 7.205 -0.391) 7.216 7.199 ( -0.168 -5.214 0.066) 5.217 7.371 ( 1.417 -0.771 -0.642) 1.736 7.501 ( 2.442 -1.030 -4.070) 4.857 7.509 ( -0.172 -0.914 4.854) 4.943 8.026 ( -1.989 2.335 0.711) 3.149 8.137 ( -1.308 -3.714 0.978) 4.057 8.477 ( 2.749 1.205 -0.516) 3.045 8.505 ( 0.722 0.610 -0.340) 1.004 8.952 ( -3.443 -5.379 -0.290) 6.393 9.241 ( -2.035 -11.559 -0.438) 11.745 9.754 ( 0.555 -4.416 0.465) 4.475 10.154 ( 0.792 -15.096 1.764) 15.219 10.549 ( 1.720 3.768 -0.266) 4.151 10.857 ( 0.702 -9.958 -0.631) 10.003 15.848 ( 0.656 0.359 -0.465) 0.880 15.889 ( -0.317 -1.718 -0.600) 1.847 16.469 ( -0.564 4.773 1.076) 4.925 16.470 ( -0.396 4.700 0.828) 4.789 16.966 ( -4.677 25.387 -1.028) 25.835 17.617 ( -4.588 15.346 -1.004) 16.048 18.271 ( 1.232 3.442 -4.868) 6.088 18.284 ( -0.216 -4.131 4.003) 5.756 18.508 ( 0.138 -7.825 0.006) 7.826 19.097 ( 1.014 -19.987 0.344) 20.016 ======================= Grid point 28 (17/125) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 -4.603 0.000) 4.603 1.091 ( 0.000 4.603 0.000) 4.603 1.600 ( 0.000 -11.427 0.000) 11.427 1.600 ( 0.000 11.427 0.000) 11.427 1.769 ( 0.000 -4.766 0.000) 4.766 1.769 ( 0.000 4.766 0.000) 4.766 2.014 ( 0.000 -3.373 0.000) 3.373 2.014 ( 0.000 3.373 0.000) 3.373 2.250 ( 0.000 -1.996 0.000) 1.996 2.250 ( 0.000 1.996 0.000) 1.996 2.724 ( 0.000 -3.850 0.000) 3.850 2.724 ( 0.000 3.850 0.000) 3.850 3.178 ( 0.000 -6.258 0.000) 6.258 3.178 ( 0.000 6.258 0.000) 6.258 3.388 ( 0.000 -6.104 0.000) 6.104 3.388 ( 0.000 6.104 0.000) 6.104 3.957 ( 0.000 -5.909 0.000) 5.909 3.957 ( 0.000 5.909 0.000) 5.909 4.336 ( 0.000 -7.351 0.000) 7.351 4.336 ( 0.000 7.351 0.000) 7.351 4.609 ( 0.000 -9.489 0.000) 9.489 4.609 ( 0.000 9.489 0.000) 9.489 5.029 ( 0.000 -10.294 0.000) 10.294 5.029 ( 0.000 10.294 0.000) 10.294 5.264 ( 0.000 -0.780 0.000) 0.780 5.264 ( 0.000 0.780 0.000) 0.780 6.384 ( 0.000 -5.369 0.000) 5.369 6.384 ( 0.000 5.369 0.000) 5.369 6.917 ( 0.000 -6.661 0.000) 6.661 6.917 ( 0.000 6.661 0.000) 6.661 7.111 ( 0.000 -6.059 0.000) 6.059 7.111 ( 0.000 6.059 0.000) 6.059 7.420 ( 0.000 -0.860 0.000) 0.860 7.420 ( 0.000 0.860 0.000) 0.860 8.178 ( 0.000 -1.417 0.000) 1.417 8.178 ( 0.000 1.417 0.000) 1.417 8.385 ( 0.000 -3.378 0.000) 3.378 8.385 ( 0.000 3.378 0.000) 3.378 9.464 ( 0.000 -0.359 0.000) 0.359 9.464 ( 0.000 0.359 0.000) 0.359 9.714 ( 0.000 -14.934 0.000) 14.934 9.714 ( 0.000 14.934 0.000) 14.934 10.556 ( 0.000 -10.141 0.000) 10.141 10.556 ( 0.000 10.141 0.000) 10.141 15.860 ( 0.000 -0.902 0.000) 0.902 15.860 ( 0.000 0.902 0.000) 0.902 16.521 ( 0.000 -0.116 0.000) 0.116 16.521 ( 0.000 0.116 0.000) 0.116 17.865 ( 0.000 -19.949 0.000) 19.949 17.865 ( 0.000 19.949 0.000) 19.949 18.356 ( 0.000 -6.152 0.000) 6.152 18.356 ( 0.000 6.152 0.000) 6.152 18.578 ( 0.000 -6.987 0.000) 6.987 18.578 ( 0.000 6.987 0.000) 6.987 ======================= Grid point 30 (18/125) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.012 -4.127 3.316) 5.294 1.098 ( 0.012 4.127 3.316) 5.294 1.511 ( -7.426 -12.964 -1.444) 15.009 1.511 ( -7.426 12.964 -1.444) 15.009 1.725 ( -2.778 -7.743 1.778) 8.416 1.725 ( -2.778 7.743 1.778) 8.416 2.112 ( 7.528 -1.275 -2.734) 8.110 2.112 ( 7.528 1.275 -2.734) 8.110 2.324 ( 6.841 -4.133 -0.046) 7.993 2.324 ( 6.841 4.133 -0.046) 7.993 2.719 ( -0.738 -5.649 1.194) 5.821 2.719 ( -0.738 5.649 1.194) 5.821 3.193 ( 1.643 -4.312 -1.907) 4.993 3.193 ( 1.643 4.312 -1.907) 4.993 3.363 ( -0.473 -8.269 -2.101) 8.544 3.363 ( -0.473 8.269 -2.101) 8.544 3.993 ( 0.480 -4.958 7.108) 8.680 3.993 ( 0.480 4.958 7.108) 8.680 4.262 ( -6.513 -9.343 -3.042) 11.788 4.262 ( -6.513 9.343 -3.042) 11.788 4.539 ( -3.387 -6.368 -3.283) 7.924 4.539 ( -3.387 6.368 -3.283) 7.924 5.151 ( 8.487 -6.440 1.246) 10.726 5.151 ( 8.487 6.440 1.246) 10.726 5.271 ( 1.103 -1.889 0.714) 2.301 5.271 ( 1.103 1.889 0.714) 2.301 6.385 ( -0.068 -4.803 1.058) 4.919 6.385 ( -0.068 4.803 1.058) 4.919 6.951 ( 3.508 -11.494 -0.938) 12.054 6.951 ( 3.508 11.494 -0.938) 12.054 7.103 ( -0.739 -6.320 0.269) 6.369 7.103 ( -0.739 6.320 0.269) 6.369 7.427 ( 0.730 -0.828 0.050) 1.104 7.427 ( 0.730 0.828 0.050) 1.104 8.171 ( -1.741 -1.091 2.210) 3.017 8.171 ( -1.741 1.091 2.210) 3.017 8.397 ( 1.964 -2.669 -1.689) 3.719 8.397 ( 1.964 2.669 -1.689) 3.719 9.343 ( -9.021 -4.762 -2.898) 10.604 9.343 ( -9.021 4.762 -2.898) 10.604 9.777 ( 3.182 -12.271 3.890) 13.261 9.777 ( 3.182 12.271 3.890) 13.261 10.580 ( 2.489 -9.880 -0.758) 10.217 10.580 ( 2.489 9.880 -0.758) 10.217 15.860 ( 0.260 -1.342 -0.889) 1.631 15.860 ( 0.260 1.342 -0.889) 1.631 16.521 ( -0.462 -0.136 1.859) 1.921 16.521 ( -0.462 0.136 1.859) 1.921 17.785 ( -7.248 -21.158 -1.756) 22.434 17.785 ( -7.248 21.158 -1.756) 22.434 18.358 ( 0.309 -5.519 -0.631) 5.564 18.358 ( 0.309 5.519 -0.631) 5.564 18.581 ( 0.464 -17.707 0.183) 17.714 18.581 ( 0.464 17.707 0.183) 17.714 ======================= Grid point 32 (19/125) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 1.027 -2.964 4.378) 5.386 1.129 ( 1.027 2.964 4.378) 5.386 1.352 ( -6.949 -12.231 -2.167) 14.233 1.352 ( -6.949 12.231 -2.167) 14.233 1.711 ( 0.308 -8.917 2.208) 9.191 1.711 ( 0.308 8.917 2.208) 9.191 2.193 ( 2.069 -2.299 -4.807) 5.716 2.193 ( 2.069 2.299 -4.807) 5.716 2.481 ( 8.302 -6.185 -0.027) 10.353 2.481 ( 8.302 6.185 -0.027) 10.353 2.709 ( -1.108 -8.155 2.310) 8.548 2.709 ( -1.108 8.155 2.310) 8.548 3.215 ( 2.470 -1.480 -3.547) 4.569 3.215 ( 2.470 1.480 -3.547) 4.569 3.401 ( 4.798 -13.367 0.772) 14.223 3.401 ( 4.798 13.367 0.772) 14.223 3.974 ( -6.431 -4.418 2.476) 8.186 3.974 ( -6.431 4.418 2.476) 8.186 4.111 ( -6.710 -7.333 1.594) 10.066 4.111 ( -6.710 7.333 1.594) 10.066 4.494 ( 0.667 -5.892 -4.121) 7.221 4.494 ( 0.667 5.892 -4.121) 7.221 5.233 ( 0.764 -0.504 -0.966) 1.330 5.233 ( 0.764 0.504 -0.966) 1.330 5.371 ( 6.532 -4.561 2.207) 8.266 5.371 ( 6.532 4.561 2.207) 8.266 6.395 ( 0.402 -4.687 1.548) 4.953 6.395 ( 0.402 4.687 1.548) 4.953 7.029 ( 4.612 -18.147 -1.379) 18.774 7.029 ( 4.612 18.147 -1.379) 18.774 7.091 ( -0.691 -7.098 0.716) 7.167 7.091 ( -0.691 7.098 0.716) 7.167 7.448 ( 1.316 -0.596 0.174) 1.455 7.448 ( 1.316 0.596 0.174) 1.455 8.125 ( -3.692 -1.979 1.741) 4.536 8.125 ( -3.692 1.979 1.741) 4.536 8.447 ( 3.544 -1.961 -1.267) 4.244 8.447 ( 3.544 1.961 -1.267) 4.244 9.148 ( -8.724 -7.480 -2.306) 11.721 9.148 ( -8.724 7.480 -2.306) 11.721 9.839 ( 1.159 -11.537 3.469) 12.103 9.839 ( 1.159 11.537 3.469) 12.103 10.633 ( 2.930 -8.919 -0.893) 9.431 10.633 ( 2.930 8.919 -0.893) 9.431 15.861 ( 0.338 -1.505 -1.107) 1.899 15.861 ( 0.338 1.505 -1.107) 1.899 16.521 ( -0.667 -0.132 2.280) 2.379 16.521 ( -0.667 0.132 2.280) 2.379 17.603 ( -9.214 -21.520 -2.173) 23.510 17.603 ( -9.214 21.520 -2.173) 23.510 18.359 ( 0.234 -4.806 -1.166) 4.951 18.359 ( 0.234 4.806 -1.166) 4.951 18.600 ( 1.133 -23.923 0.649) 23.958 18.600 ( 1.133 23.923 0.649) 23.958 ======================= Grid point 34 (20/125) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.397 -2.205 2.384) 3.271 1.166 ( 0.397 2.205 2.384) 3.271 1.248 ( -2.287 -9.578 -1.526) 9.965 1.248 ( -2.287 9.578 -1.526) 9.965 1.743 ( 1.193 -9.923 1.486) 10.104 1.743 ( 1.193 9.923 1.486) 10.104 2.169 ( -1.095 -1.979 -2.788) 3.590 2.169 ( -1.095 1.979 -2.788) 3.590 2.602 ( 3.531 -4.855 -0.989) 6.084 2.602 ( 3.531 4.855 -0.989) 6.084 2.705 ( -0.376 -9.255 1.944) 9.464 2.705 ( -0.376 9.255 1.944) 9.464 3.256 ( 2.308 -2.268 -1.437) 3.540 3.256 ( 2.308 2.268 -1.437) 3.540 3.521 ( 5.161 -10.800 1.779) 12.101 3.521 ( 5.161 10.800 1.779) 12.101 3.825 ( -6.012 -13.205 -2.538) 14.729 3.825 ( -6.012 13.205 -2.538) 14.729 4.020 ( -3.835 -4.134 2.777) 6.286 4.020 ( -3.835 4.134 2.777) 6.286 4.503 ( 1.005 -5.182 -1.530) 5.496 4.503 ( 1.005 5.182 -1.530) 5.496 5.233 ( 0.003 -1.292 -0.387) 1.348 5.233 ( 0.003 1.292 -0.387) 1.348 5.470 ( 2.457 -2.639 0.709) 3.674 5.470 ( 2.457 2.639 0.709) 3.674 6.411 ( 0.358 -5.533 0.772) 5.598 6.411 ( 0.358 5.533 0.772) 5.598 7.078 ( 0.315 -7.160 -0.614) 7.193 7.078 ( 0.315 7.160 -0.614) 7.193 7.101 ( 1.573 -24.001 0.383) 24.055 7.101 ( 1.573 24.001 0.383) 24.055 7.472 ( 0.826 -0.703 0.115) 1.090 7.472 ( 0.826 0.703 0.115) 1.090 8.069 ( -2.031 -2.532 0.517) 3.287 8.069 ( -2.031 2.532 0.517) 3.287 8.501 ( 1.854 -1.408 -0.369) 2.357 8.501 ( 1.854 1.408 -0.369) 2.357 9.012 ( -3.731 -9.487 -0.863) 10.231 9.012 ( -3.731 9.487 -0.863) 10.231 9.862 ( 0.146 -12.132 1.356) 12.209 9.862 ( 0.146 12.132 1.356) 12.209 10.672 ( 1.239 -7.984 -0.379) 8.088 10.672 ( 1.239 7.984 -0.379) 8.088 15.862 ( 0.155 -1.024 -0.492) 1.146 15.862 ( 0.155 1.024 -0.492) 1.146 16.519 ( -0.347 -0.051 0.994) 1.054 16.519 ( -0.347 0.051 0.994) 1.054 17.455 ( -4.101 -21.515 -0.959) 21.924 17.455 ( -4.101 21.515 -0.959) 21.924 18.357 ( 0.086 -4.703 -0.578) 4.739 18.357 ( 0.086 4.703 -0.578) 4.739 18.622 ( 0.611 -24.833 0.364) 24.843 18.622 ( 0.611 24.833 0.364) 24.843 ======================= Grid point 63 (21/125) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 1.884 0.000 17.477) 17.579 0.367 ( 10.338 0.000 18.872) 21.519 0.715 ( -2.928 0.000 35.130) 35.252 1.304 ( -1.841 0.000 11.540) 11.686 1.739 ( 6.614 0.000 -4.686) 8.106 1.821 ( 1.512 0.000 -6.697) 6.866 2.038 ( -2.375 0.000 3.688) 4.387 2.044 ( -8.430 0.000 6.521) 10.658 2.512 ( -0.040 0.000 -2.677) 2.677 2.595 ( -0.149 0.000 -3.206) 3.209 2.712 ( 1.186 0.000 -1.180) 1.673 2.734 ( -6.888 0.000 12.019) 13.852 3.380 ( -17.874 0.000 -8.397) 19.748 3.427 ( -1.667 0.000 7.921) 8.095 3.538 ( 15.188 0.000 -1.446) 15.257 3.635 ( 1.264 0.000 1.271) 1.792 3.734 ( 0.258 0.000 -1.694) 1.713 3.769 ( 2.818 0.000 -1.734) 3.309 3.959 ( -0.140 0.000 1.646) 1.652 4.249 ( 0.835 0.000 11.624) 11.654 4.269 ( -0.415 0.000 -1.019) 1.101 4.417 ( -2.187 0.000 -5.786) 6.186 4.818 ( 8.751 0.000 -1.162) 8.827 5.136 ( 1.171 0.000 1.382) 1.811 5.223 ( 5.175 0.000 -11.182) 12.321 5.399 ( 0.223 0.000 -3.455) 3.462 5.443 ( 0.850 0.000 -2.367) 2.515 5.514 ( -0.004 0.000 -0.390) 0.390 6.083 ( -1.975 0.000 0.225) 1.988 6.306 ( 1.580 0.000 -2.332) 2.817 6.726 ( -2.239 0.000 7.638) 7.959 7.340 ( -0.656 0.000 0.140) 0.671 7.500 ( -0.179 0.000 5.336) 5.338 7.924 ( 5.354 0.000 -5.713) 7.830 8.076 ( -29.190 0.000 1.949) 29.255 8.084 ( -3.820 0.000 1.327) 4.044 8.388 ( 3.851 0.000 -0.552) 3.890 8.810 ( -17.568 0.000 1.470) 17.629 9.351 ( 7.868 0.000 -1.748) 8.059 9.456 ( 43.048 0.000 1.448) 43.072 9.570 ( 13.386 0.000 6.896) 15.058 10.461 ( -1.335 0.000 1.844) 2.276 10.636 ( 4.915 0.000 -3.029) 5.773 11.175 ( -3.145 0.000 -2.299) 3.896 15.443 ( 0.034 0.000 2.438) 2.438 16.063 ( -1.286 0.000 -5.302) 5.455 16.149 ( -0.068 0.000 7.600) 7.600 16.259 ( 1.681 0.000 2.512) 3.023 16.405 ( -0.497 0.000 0.399) 0.637 17.058 ( -20.582 0.000 4.957) 21.170 18.190 ( -15.054 0.000 -4.696) 15.769 18.780 ( -3.090 0.000 4.463) 5.429 19.037 ( 10.362 0.000 -4.397) 11.256 19.371 ( 8.000 0.000 5.238) 9.562 ======================= Grid point 64 (22/125) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 15.248 0.000 12.575) 19.764 0.684 ( 11.297 0.000 17.325) 20.683 0.991 ( 12.368 0.000 24.127) 27.112 1.307 ( -4.519 0.000 13.777) 14.499 1.825 ( 2.279 0.000 -7.805) 8.131 1.828 ( 3.368 0.000 -1.488) 3.682 1.932 ( -4.533 0.000 3.153) 5.522 1.984 ( -4.896 0.000 3.672) 6.121 2.445 ( -5.875 0.000 -1.425) 6.045 2.515 ( -8.593 0.000 -3.810) 9.399 2.632 ( -7.114 0.000 -2.068) 7.409 2.714 ( 0.556 0.000 9.214) 9.230 3.106 ( -6.243 0.000 -2.077) 6.580 3.450 ( -0.036 0.000 7.458) 7.458 3.524 ( -1.440 0.000 -9.221) 9.333 3.674 ( 0.494 0.000 4.131) 4.160 3.801 ( 1.670 0.000 -3.115) 3.535 3.961 ( -0.494 0.000 4.115) 4.144 4.034 ( 18.353 0.000 1.702) 18.432 4.240 ( -1.528 0.000 -1.492) 2.135 4.306 ( -0.740 0.000 11.335) 11.359 4.353 ( -0.083 0.000 -9.293) 9.294 5.020 ( 8.486 0.000 -11.694) 14.449 5.157 ( -0.160 0.000 0.207) 0.262 5.257 ( 4.065 0.000 -11.511) 12.208 5.387 ( 0.065 0.000 -3.486) 3.486 5.413 ( -3.242 0.000 -1.362) 3.516 5.542 ( 3.488 0.000 0.174) 3.493 5.978 ( -6.898 0.000 -1.235) 7.008 6.362 ( 3.875 0.000 -1.781) 4.265 6.716 ( -2.548 0.000 7.203) 7.640 7.339 ( 0.502 0.000 -0.307) 0.588 7.535 ( 0.454 0.000 6.342) 6.358 7.675 ( -13.384 0.000 12.023) 17.991 7.994 ( 3.406 0.000 -6.300) 7.162 8.015 ( -2.738 0.000 2.647) 3.808 8.333 ( -5.739 0.000 2.988) 6.471 8.761 ( 5.777 0.000 3.543) 6.777 9.303 ( -3.685 0.000 -1.785) 4.094 9.569 ( 1.092 0.000 2.241) 2.493 10.418 ( 6.236 0.000 -5.152) 8.089 10.556 ( 15.091 0.000 -11.239) 18.817 10.798 ( 20.724 0.000 -16.942) 26.768 11.151 ( 4.880 0.000 -7.578) 9.014 15.484 ( 2.572 0.000 2.956) 3.918 16.023 ( -0.136 0.000 -5.272) 5.273 16.101 ( -10.213 0.000 11.760) 15.576 16.280 ( -0.812 0.000 1.428) 1.643 16.382 ( -1.816 0.000 0.919) 2.035 16.511 ( -23.930 0.000 23.940) 33.849 18.081 ( 0.600 0.000 -3.440) 3.492 18.774 ( -1.209 0.000 4.968) 5.113 19.151 ( 3.936 0.000 -0.176) 3.940 19.504 ( 3.207 0.000 -4.987) 5.929 ======================= Grid point 65 (23/125) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 9.688 0.000 15.895) 18.615 0.989 ( 17.065 0.000 9.142) 19.359 1.259 ( -2.259 0.000 11.529) 11.748 1.338 ( 7.002 0.000 13.425) 15.141 1.790 ( -4.290 0.000 -5.137) 6.693 1.821 ( -5.476 0.000 10.040) 11.437 1.911 ( -2.762 0.000 0.495) 2.806 1.920 ( 2.119 0.000 -5.455) 5.852 2.192 ( -16.768 0.000 -2.605) 16.969 2.340 ( -1.890 0.000 -1.724) 2.558 2.589 ( 1.571 0.000 -1.335) 2.062 2.792 ( 1.229 0.000 9.169) 9.251 2.994 ( -6.126 0.000 -2.381) 6.573 3.493 ( -0.023 0.000 7.944) 7.944 3.535 ( 6.572 0.000 -6.257) 9.074 3.656 ( -3.176 0.000 0.217) 3.184 3.837 ( 2.997 0.000 0.197) 3.004 3.985 ( 0.448 0.000 4.408) 4.431 4.186 ( -3.172 0.000 -2.217) 3.870 4.258 ( -0.817 0.000 9.697) 9.731 4.343 ( 4.145 0.000 -9.284) 10.167 4.412 ( 10.245 0.000 1.030) 10.297 5.041 ( 0.603 0.000 -8.794) 8.815 5.129 ( -1.865 0.000 -1.830) 2.613 5.255 ( 1.830 0.000 -12.446) 12.579 5.320 ( -5.055 0.000 -0.921) 5.138 5.376 ( 0.712 0.000 -2.027) 2.149 5.634 ( 4.799 0.000 1.075) 4.918 5.839 ( -6.062 0.000 -1.733) 6.304 6.416 ( 2.535 0.000 -1.904) 3.170 6.704 ( -2.195 0.000 6.624) 6.978 7.354 ( 1.147 0.000 -0.584) 1.287 7.532 ( -4.633 0.000 5.736) 7.373 7.605 ( -0.446 0.000 7.822) 7.835 7.931 ( -3.704 0.000 -0.586) 3.750 8.068 ( 3.735 0.000 -2.054) 4.262 8.283 ( -1.186 0.000 2.976) 3.204 8.798 ( -5.062 0.000 0.716) 5.112 9.261 ( 0.858 0.000 0.338) 0.922 9.598 ( 1.177 0.000 0.247) 1.203 10.464 ( 3.437 0.000 -3.507) 4.911 10.678 ( 5.832 0.000 -0.909) 5.903 10.910 ( -0.434 0.000 -8.753) 8.764 11.275 ( 9.837 0.000 -15.691) 18.520 15.562 ( 3.489 0.000 3.072) 4.649 15.984 ( -6.591 0.000 12.895) 14.482 16.003 ( 0.606 0.000 -4.370) 4.411 16.244 ( -2.432 0.000 -0.641) 2.515 16.331 ( -9.572 0.000 16.509) 19.083 16.355 ( -1.859 0.000 2.002) 2.732 18.099 ( 2.621 0.000 -2.986) 3.973 18.777 ( -1.260 0.000 5.618) 5.757 19.221 ( 2.336 0.000 3.873) 4.523 19.488 ( -0.589 0.000 -6.573) 6.600 ======================= Grid point 66 (24/125) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -1.850 0.000 17.134) 17.234 1.252 ( -0.483 0.000 5.580) 5.601 1.355 ( 15.498 0.000 6.602) 16.845 1.448 ( -2.578 0.000 4.631) 5.300 1.566 ( -15.412 0.000 -1.336) 15.470 1.723 ( -6.879 0.000 4.564) 8.255 1.881 ( 1.010 0.000 -4.217) 4.336 1.963 ( 3.935 0.000 1.544) 4.227 2.000 ( -3.001 0.000 4.388) 5.316 2.375 ( 4.201 0.000 1.006) 4.320 2.619 ( 0.803 0.000 -2.812) 2.925 2.833 ( -2.172 0.000 11.059) 11.270 2.869 ( -2.928 0.000 -5.421) 6.161 3.509 ( -2.386 0.000 6.702) 7.114 3.602 ( -1.245 0.000 -1.150) 1.695 3.672 ( 8.232 0.000 -0.558) 8.251 3.876 ( -0.285 0.000 1.335) 1.365 4.014 ( -0.131 0.000 0.987) 0.996 4.120 ( -0.807 0.000 -1.975) 2.133 4.225 ( -6.382 0.000 9.758) 11.660 4.406 ( 5.649 0.000 -5.674) 8.007 4.560 ( 3.564 0.000 -3.279) 4.843 5.003 ( 0.317 0.000 -6.607) 6.615 5.083 ( -1.150 0.000 -2.932) 3.149 5.211 ( 0.766 0.000 -12.483) 12.506 5.247 ( -1.440 0.000 0.592) 1.557 5.399 ( 2.402 0.000 -1.421) 2.790 5.698 ( -0.322 0.000 -2.666) 2.685 5.755 ( -0.122 0.000 1.234) 1.240 6.442 ( 1.210 0.000 -1.918) 2.268 6.699 ( -1.703 0.000 6.311) 6.537 7.373 ( 1.087 0.000 -0.663) 1.273 7.479 ( -2.754 0.000 3.327) 4.319 7.631 ( -1.710 0.000 7.627) 7.817 7.862 ( -2.754 0.000 -1.405) 3.092 8.123 ( 2.626 0.000 -0.586) 2.691 8.279 ( -1.516 0.000 -1.571) 2.183 8.661 ( -5.167 0.000 0.659) 5.208 9.289 ( 0.341 0.000 0.142) 0.370 9.620 ( 1.128 0.000 -0.235) 1.152 10.516 ( 3.059 0.000 -3.404) 4.576 10.749 ( -1.198 0.000 -8.981) 9.061 10.872 ( 3.484 0.000 5.884) 6.839 11.332 ( 4.209 0.000 -13.044) 13.706 15.626 ( 0.842 0.000 2.475) 2.614 15.955 ( -2.894 0.000 8.797) 9.261 16.002 ( 1.378 0.000 -2.766) 3.090 16.213 ( 0.283 0.000 -0.971) 1.011 16.262 ( -5.838 0.000 15.124) 16.211 16.321 ( -2.570 0.000 1.385) 2.920 18.146 ( 2.909 0.000 -0.419) 2.939 18.784 ( -1.156 0.000 6.633) 6.733 19.267 ( -0.930 0.000 6.846) 6.909 19.449 ( 1.431 0.000 -9.150) 9.261 ======================= Grid point 67 (25/125) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -15.114 0.000 5.779) 16.181 1.196 ( -18.891 0.000 -0.678) 18.903 1.234 ( -5.149 0.000 9.683) 10.967 1.362 ( -6.371 0.000 1.005) 6.450 1.635 ( -4.825 0.000 4.594) 6.663 1.676 ( 10.933 0.000 3.343) 11.432 1.935 ( 4.415 0.000 -0.281) 4.424 2.073 ( 8.797 0.000 7.011) 11.249 2.077 ( 4.946 0.000 5.972) 7.754 2.454 ( 2.279 0.000 3.337) 4.041 2.557 ( -3.160 0.000 -6.309) 7.056 2.832 ( -3.664 0.000 10.976) 11.572 2.864 ( 3.954 0.000 -5.207) 6.538 3.482 ( -3.137 0.000 5.393) 6.239 3.599 ( 1.158 0.000 -0.291) 1.194 3.825 ( 6.507 0.000 3.064) 7.192 3.844 ( -2.728 0.000 -0.750) 2.829 3.956 ( -3.677 0.000 -1.684) 4.044 4.125 ( -8.359 0.000 8.108) 11.645 4.162 ( 3.612 0.000 -0.028) 3.612 4.481 ( 3.521 0.000 -1.991) 4.045 4.498 ( -6.996 0.000 -6.065) 9.258 4.996 ( 2.789 0.000 -8.505) 8.951 5.073 ( 1.715 0.000 -2.886) 3.357 5.181 ( 2.633 0.000 -10.965) 11.277 5.275 ( 3.151 0.000 1.494) 3.487 5.443 ( 2.448 0.000 -1.899) 3.099 5.632 ( -3.139 0.000 -3.207) 4.488 5.811 ( 3.680 0.000 1.249) 3.886 6.443 ( -0.230 0.000 -1.819) 1.833 6.702 ( -1.322 0.000 6.429) 6.564 7.385 ( 0.339 0.000 -0.226) 0.407 7.470 ( 0.065 0.000 4.003) 4.004 7.614 ( -3.410 0.000 7.480) 8.221 7.816 ( -0.675 0.000 -2.940) 3.017 8.160 ( 1.077 0.000 0.577) 1.222 8.182 ( -4.510 0.000 -5.360) 7.005 8.669 ( 3.345 0.000 0.014) 3.345 9.276 ( -0.634 0.000 -0.144) 0.651 9.626 ( -0.874 0.000 0.040) 0.875 10.524 ( -0.158 0.000 -5.591) 5.594 10.634 ( -5.167 0.000 -0.801) 5.229 11.021 ( 7.410 0.000 -1.744) 7.612 11.318 ( 0.965 0.000 -12.306) 12.344 15.605 ( -3.670 0.000 1.460) 3.949 15.960 ( -0.316 0.000 7.152) 7.159 16.041 ( 3.623 0.000 -1.050) 3.772 16.242 ( 1.734 0.000 -1.573) 2.341 16.252 ( -3.835 0.000 17.455) 17.872 16.275 ( -1.591 0.000 1.328) 2.072 18.202 ( 2.300 0.000 2.369) 3.302 18.799 ( -1.176 0.000 7.792) 7.881 19.247 ( -3.667 0.000 4.317) 5.664 19.457 ( 3.239 0.000 -8.393) 8.996 ======================= Grid point 68 (26/125) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -19.327 0.000 -0.219) 19.328 0.820 ( -19.872 0.000 1.586) 19.935 1.086 ( -18.082 0.000 11.482) 21.420 1.265 ( -2.880 0.000 8.212) 8.703 1.603 ( -0.240 0.000 2.416) 2.428 1.818 ( 3.888 0.000 -1.633) 4.217 1.999 ( 1.496 0.000 3.754) 4.041 2.172 ( 0.571 0.000 6.888) 6.912 2.397 ( 16.853 0.000 5.930) 17.866 2.501 ( 0.965 0.000 2.508) 2.687 2.505 ( 2.604 0.000 -5.841) 6.395 2.799 ( -5.321 0.000 11.435) 12.613 2.930 ( 6.043 0.000 -5.293) 8.033 3.448 ( -3.494 0.000 7.177) 7.982 3.636 ( 2.049 0.000 -0.044) 2.050 3.769 ( -3.258 0.000 -4.247) 5.353 3.911 ( -0.025 0.000 -0.028) 0.038 3.932 ( 1.592 0.000 -2.149) 2.674 4.004 ( -7.555 0.000 11.861) 14.062 4.222 ( 2.526 0.000 -0.271) 2.541 4.266 ( -11.947 0.000 -5.944) 13.344 4.510 ( 0.117 0.000 -0.675) 0.685 5.011 ( 3.811 0.000 -12.797) 13.353 5.102 ( 1.899 0.000 -1.979) 2.743 5.193 ( 3.479 0.000 -10.788) 11.335 5.356 ( 4.143 0.000 0.318) 4.155 5.458 ( 0.230 0.000 -3.064) 3.073 5.558 ( -2.603 0.000 -2.228) 3.426 5.908 ( 5.688 0.000 0.948) 5.767 6.411 ( -2.069 0.000 -1.906) 2.814 6.712 ( -1.177 0.000 6.936) 7.035 7.381 ( -0.883 0.000 0.524) 1.026 7.498 ( -1.030 0.000 4.689) 4.801 7.646 ( 4.148 0.000 14.707) 15.281 7.812 ( 2.285 0.000 -4.709) 5.234 8.123 ( 1.618 0.000 -4.079) 4.388 8.168 ( -0.793 0.000 1.136) 1.385 8.678 ( -2.576 0.000 -5.190) 5.794 9.303 ( 2.913 0.000 2.168) 3.631 9.585 ( -2.975 0.000 0.170) 2.980 10.476 ( -0.668 0.000 -6.149) 6.186 10.567 ( -2.586 0.000 2.696) 3.736 11.004 ( -5.377 0.000 -32.661) 33.101 11.274 ( -0.399 0.000 -1.030) 1.105 15.526 ( -4.555 0.000 1.291) 4.734 16.017 ( 2.215 0.000 5.595) 6.018 16.118 ( 4.201 0.000 0.096) 4.202 16.195 ( -2.913 0.000 -2.544) 3.868 16.325 ( 1.706 0.000 29.028) 29.078 16.328 ( 3.428 0.000 1.310) 3.670 18.259 ( 2.008 0.000 4.029) 4.501 18.814 ( -1.689 0.000 8.987) 9.144 19.187 ( -3.474 0.000 -0.054) 3.474 19.456 ( 0.534 0.000 -9.544) 9.559 ======================= Grid point 69 (27/125) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( -16.425 0.000 5.227) 17.237 0.463 ( -17.964 0.000 7.750) 19.564 0.786 ( -19.041 0.000 25.856) 32.111 1.281 ( -1.072 0.000 9.238) 9.300 1.644 ( 4.089 0.000 -1.400) 4.322 1.835 ( 0.599 0.000 -5.107) 5.142 2.038 ( 0.140 0.000 4.457) 4.459 2.156 ( -5.582 0.000 6.670) 8.697 2.513 ( 0.225 0.000 -0.986) 1.012 2.546 ( 5.408 0.000 -3.464) 6.422 2.672 ( 5.326 0.000 -0.442) 5.344 2.765 ( -4.613 0.000 14.534) 15.248 3.139 ( 18.782 0.000 -0.519) 18.789 3.428 ( -2.668 0.000 8.683) 9.083 3.639 ( -1.582 0.000 -0.458) 1.646 3.729 ( 2.013 0.000 -3.709) 4.220 3.771 ( -13.937 0.000 -9.211) 16.706 3.874 ( -10.593 0.000 1.641) 10.719 3.937 ( 1.633 0.000 0.717) 1.784 4.166 ( 1.191 0.000 9.060) 9.138 4.257 ( 1.323 0.000 -0.379) 1.376 4.482 ( -1.886 0.000 -2.742) 3.328 4.950 ( -5.741 0.000 -15.524) 16.552 5.117 ( 0.553 0.000 -0.279) 0.619 5.191 ( 3.262 0.000 -11.609) 12.058 5.420 ( 2.648 0.000 -1.780) 3.190 5.427 ( -1.124 0.000 -3.592) 3.764 5.521 ( -0.548 0.000 -0.745) 0.925 6.029 ( 5.586 0.000 0.951) 5.666 6.346 ( -3.141 0.000 -2.335) 3.914 6.723 ( -1.540 0.000 7.504) 7.660 7.360 ( -1.408 0.000 0.634) 1.544 7.490 ( -1.342 0.000 4.489) 4.686 7.854 ( 4.599 0.000 -5.711) 7.333 8.025 ( 26.703 0.000 33.593) 42.913 8.141 ( -2.574 0.000 1.283) 2.876 8.203 ( 7.532 0.000 -1.662) 7.713 8.517 ( -10.199 0.000 -7.245) 12.510 9.370 ( 1.840 0.000 1.484) 2.364 9.538 ( -1.777 0.000 1.142) 2.113 10.242 ( -41.785 0.000 -47.941) 63.596 10.512 ( -6.883 0.000 -9.144) 11.445 10.566 ( 2.808 0.000 -2.158) 3.542 11.250 ( -3.024 0.000 0.368) 3.046 15.459 ( -2.754 0.000 1.777) 3.278 16.084 ( 2.129 0.000 5.595) 5.986 16.124 ( -2.225 0.000 -4.699) 5.199 16.198 ( 3.166 0.000 2.141) 3.822 16.388 ( 1.898 0.000 0.882) 2.093 16.721 ( 21.849 0.000 37.927) 43.770 18.330 ( 3.482 0.000 1.805) 3.922 18.828 ( -1.913 0.000 10.798) 10.966 19.084 ( -6.264 0.000 -12.888) 14.330 19.357 ( -5.525 0.000 -5.312) 7.664 ======================= Grid point 70 (28/125) ======================= q-point: ( 0.00 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 3.573 16.722 10.994) 20.329 0.674 ( -2.432 12.523 19.788) 23.543 1.022 ( 1.317 30.211 14.300) 33.451 1.308 ( -1.347 0.500 10.963) 11.057 1.655 ( 4.050 -4.873 -0.992) 6.414 1.850 ( 0.331 1.062 -6.043) 6.144 2.060 ( -3.437 1.512 2.768) 4.665 2.084 ( -4.245 3.348 4.103) 6.787 2.422 ( 1.159 -6.435 -0.680) 6.574 2.540 ( -1.364 -5.465 0.834) 5.694 2.737 ( -1.851 1.595 6.558) 6.999 2.858 ( -3.721 6.157 -3.497) 7.999 3.307 ( -10.187 -5.979 -5.117) 12.873 3.355 ( 1.350 -7.164 6.025) 9.458 3.494 ( 3.368 -3.029 -3.439) 5.687 3.651 ( 2.534 -2.120 1.207) 3.518 3.678 ( -0.421 1.424 -0.983) 1.781 3.819 ( 3.162 3.008 -0.565) 4.401 4.021 ( -0.557 4.256 2.980) 5.225 4.238 ( 2.490 0.128 2.870) 3.802 4.372 ( 0.491 8.590 -0.185) 8.606 4.488 ( -3.483 5.016 -2.089) 6.454 4.768 ( 3.204 -3.573 -0.933) 4.889 5.142 ( 2.702 -0.346 -5.891) 6.490 5.261 ( 2.519 3.260 -5.304) 6.716 5.360 ( -0.036 -2.530 -4.260) 4.954 5.578 ( 3.014 8.598 -0.879) 9.153 5.761 ( -1.317 15.519 -7.278) 17.191 6.358 ( -7.527 8.241 -4.601) 12.073 6.477 ( 11.171 22.886 -17.458) 30.876 6.770 ( -2.242 4.278 7.678) 9.071 7.361 ( -0.658 1.949 0.637) 2.154 7.495 ( -0.153 -0.549 5.220) 5.251 7.946 ( -4.455 -2.003 0.270) 4.892 7.975 ( -12.306 -4.293 3.342) 13.455 8.153 ( -5.955 4.713 1.024) 7.663 8.371 ( 4.907 -1.850 -0.246) 5.250 8.547 ( 6.128 -15.424 14.291) 21.901 9.311 ( 2.948 -1.296 -0.822) 3.324 9.415 ( 15.645 -0.524 3.619) 16.067 9.540 ( 1.997 -1.704 5.066) 5.706 10.423 ( -1.127 -3.452 1.992) 4.142 10.555 ( 3.373 -7.058 -2.535) 8.223 11.116 ( -2.151 -5.384 -2.802) 6.440 15.702 ( -0.286 9.333 -7.550) 12.008 16.022 ( -0.621 -3.026 -1.637) 3.496 16.260 ( 1.161 8.590 5.856) 10.461 16.316 ( 1.530 4.910 3.526) 6.235 16.534 ( -0.734 12.793 -0.193) 12.816 17.461 ( -7.422 25.231 -23.680) 35.390 18.204 ( -14.359 1.225 -5.518) 15.432 18.751 ( -4.222 -2.863 4.581) 6.856 19.001 ( 8.636 -3.942 -4.513) 10.511 19.146 ( 5.808 -15.577 16.832) 23.658 ======================= Grid point 71 (29/125) ======================= q-point: ( 0.14 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 6.407 9.343 10.457) 15.417 0.821 ( 6.020 8.468 20.158) 22.678 1.253 ( 10.998 18.919 10.749) 24.381 1.326 ( -2.137 4.994 13.516) 14.567 1.685 ( -1.145 -6.402 1.747) 6.734 1.872 ( 4.272 0.533 -6.333) 7.658 1.977 ( -5.054 1.268 1.508) 5.424 2.041 ( -1.847 5.503 2.190) 6.204 2.402 ( -3.726 -3.384 -0.240) 5.040 2.519 ( -2.437 -2.998 -1.523) 4.154 2.641 ( -13.775 3.247 -3.424) 14.561 2.740 ( 0.187 1.905 7.916) 8.144 3.124 ( -4.231 0.858 -3.074) 5.300 3.375 ( -1.434 -5.974 3.389) 7.017 3.468 ( -0.611 -5.932 -2.003) 6.290 3.684 ( 3.110 -0.777 -1.358) 3.482 3.778 ( 2.033 0.485 0.982) 2.309 3.942 ( 3.947 -2.372 3.524) 5.798 4.004 ( 1.133 1.363 1.298) 2.197 4.306 ( 2.735 1.664 3.926) 5.066 4.399 ( 0.308 7.401 -2.559) 7.837 4.421 ( 1.868 7.632 -1.238) 7.954 4.869 ( 5.531 -7.871 -4.446) 10.597 5.166 ( 2.277 -0.638 -5.716) 6.186 5.275 ( 1.884 2.211 -6.747) 7.345 5.347 ( 0.509 -2.326 -3.469) 4.207 5.598 ( -4.010 10.806 -0.456) 11.535 5.702 ( 2.541 14.034 -4.796) 15.047 6.127 ( -10.007 11.139 -3.208) 15.314 6.600 ( 5.937 19.094 -8.987) 21.923 6.764 ( -2.126 4.921 6.856) 8.703 7.355 ( -0.257 1.667 0.492) 1.757 7.528 ( 0.421 -0.614 6.077) 6.122 7.656 ( -12.348 -1.908 11.713) 17.126 8.036 ( 5.270 3.449 -4.459) 7.717 8.056 ( -4.836 4.372 0.038) 6.519 8.325 ( -5.492 -0.841 3.126) 6.375 8.691 ( 6.736 -6.755 3.973) 10.334 9.284 ( -3.030 -2.018 -1.355) 3.884 9.544 ( 0.638 -2.322 1.889) 3.060 10.167 ( 33.742 -27.887 -7.657) 44.439 10.416 ( 0.600 -3.706 -1.332) 3.984 10.613 ( 4.030 -9.096 2.078) 10.163 11.094 ( 2.309 -5.054 -5.712) 7.969 15.691 ( 2.400 8.255 -4.477) 9.693 15.998 ( -0.421 -2.018 -3.244) 3.844 16.259 ( -5.470 11.210 5.014) 13.443 16.351 ( -0.305 5.235 4.647) 7.006 16.488 ( -4.503 11.030 2.096) 12.097 16.848 ( -29.815 31.189 1.770) 43.184 18.085 ( 0.474 0.280 -4.011) 4.049 18.733 ( -1.476 -4.020 4.886) 6.497 19.073 ( 1.471 -8.390 3.839) 9.343 19.372 ( 7.790 -9.918 -2.726) 12.903 ======================= Grid point 72 (30/125) ======================= q-point: ( 0.29 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 8.627 -1.738 6.707) 11.065 1.064 ( 7.649 4.959 17.733) 19.939 1.305 ( -3.814 1.323 14.725) 15.268 1.524 ( 8.496 15.218 3.264) 17.732 1.646 ( -4.050 -7.702 2.290) 8.998 1.845 ( -4.144 0.140 0.721) 4.209 1.960 ( 1.532 5.150 -0.478) 5.395 2.036 ( 0.277 7.111 0.244) 7.121 2.260 ( -13.737 6.191 -1.970) 15.196 2.338 ( -3.039 1.008 -1.293) 3.453 2.544 ( 0.889 -4.015 -0.271) 4.122 2.820 ( 1.833 2.262 8.742) 9.214 3.030 ( -4.743 2.951 -2.959) 6.322 3.390 ( 2.424 -7.220 1.034) 7.686 3.494 ( 2.297 -5.551 1.996) 6.330 3.708 ( -2.097 2.929 0.760) 3.682 3.783 ( 0.885 -3.137 -0.210) 3.266 3.974 ( 1.391 -3.001 2.778) 4.319 4.048 ( -0.322 -3.127 0.533) 3.188 4.320 ( -5.155 2.403 3.655) 6.760 4.389 ( 4.865 3.725 -3.303) 6.961 4.587 ( 11.007 10.696 -0.558) 15.358 4.901 ( 0.740 -7.360 -6.141) 9.614 5.163 ( 0.394 0.878 -5.126) 5.215 5.254 ( -0.016 1.333 -9.139) 9.236 5.341 ( 0.254 -2.416 -2.471) 3.465 5.478 ( -5.070 12.531 -2.023) 13.668 5.777 ( 4.349 11.694 -0.072) 12.477 5.957 ( -6.400 10.843 -1.105) 12.640 6.633 ( 1.794 17.460 -4.920) 18.228 6.760 ( -1.630 6.465 6.068) 9.015 7.358 ( 0.163 0.400 0.691) 0.815 7.523 ( -4.356 -0.888 5.652) 7.191 7.595 ( -0.174 -0.895 7.306) 7.362 7.965 ( -4.305 3.101 -0.353) 5.317 8.113 ( 4.521 4.369 -3.071) 6.997 8.274 ( -1.400 -0.839 2.952) 3.373 8.745 ( -3.670 -5.148 0.734) 6.365 9.241 ( -0.196 -2.056 0.528) 2.132 9.560 ( 0.655 -3.633 0.129) 3.694 10.432 ( 3.348 -2.869 -3.715) 5.765 10.493 ( 8.489 -21.446 -7.977) 24.405 10.734 ( 3.857 -11.796 2.482) 12.657 11.147 ( 6.201 -8.397 -8.433) 13.419 15.740 ( 3.725 8.795 -1.784) 9.716 15.974 ( -0.604 -1.567 -2.346) 2.884 16.101 ( -10.536 12.611 6.173) 17.554 16.344 ( -3.447 6.329 7.023) 10.063 16.411 ( -4.758 6.722 7.420) 11.085 16.541 ( -7.163 22.184 2.238) 23.419 18.100 ( 2.725 -0.067 -3.822) 4.695 18.733 ( -1.269 -4.256 5.595) 7.143 19.118 ( 0.144 -10.213 7.104) 12.442 19.431 ( 2.427 -4.888 -7.435) 9.223 ======================= Grid point 73 (31/125) ======================= q-point: ( 0.43 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 2.281 -11.262 0.954) 11.530 1.206 ( -2.635 4.129 14.717) 15.511 1.338 ( -2.948 -0.021 12.735) 13.072 1.528 ( -6.171 -6.848 -0.024) 9.218 1.623 ( 2.020 8.483 3.703) 9.474 1.827 ( 0.666 9.153 0.999) 9.231 1.968 ( 0.256 6.748 0.369) 6.763 2.043 ( 0.890 7.187 0.146) 7.243 2.059 ( -4.781 9.086 3.357) 10.802 2.364 ( 3.349 -0.752 0.389) 3.454 2.570 ( 0.804 -4.554 -0.808) 4.694 2.861 ( -1.684 3.006 8.143) 8.842 2.941 ( -2.056 6.054 -3.182) 7.142 3.422 ( -1.565 -7.546 5.261) 9.331 3.565 ( 3.488 -4.545 -1.746) 5.990 3.678 ( 1.208 0.945 1.668) 2.266 3.814 ( 0.371 -5.391 3.473) 6.423 3.978 ( -1.706 -7.998 -1.922) 8.400 4.055 ( 1.015 3.278 2.286) 4.123 4.230 ( -5.627 0.669 2.405) 6.156 4.470 ( 4.464 4.671 -1.381) 6.607 4.765 ( 6.104 14.242 -3.290) 15.841 4.849 ( -1.617 -10.395 -5.897) 12.060 5.146 ( 0.324 3.979 -2.887) 4.927 5.193 ( -0.278 -0.494 -10.949) 10.963 5.329 ( 0.282 1.705 -1.549) 2.320 5.425 ( 0.327 7.752 -1.452) 7.893 5.821 ( -0.578 10.779 -2.622) 11.108 5.883 ( -0.189 11.527 1.612) 11.641 6.638 ( 1.152 16.166 -3.365) 16.553 6.761 ( -1.433 7.222 5.866) 9.414 7.366 ( 0.234 -0.762 0.999) 1.278 7.480 ( -2.116 0.070 3.054) 3.716 7.623 ( -1.418 -0.699 7.201) 7.372 7.890 ( -2.840 2.572 -1.473) 4.105 8.174 ( 2.708 4.442 -1.304) 5.363 8.269 ( -1.160 -0.637 -1.395) 1.923 8.631 ( -4.612 -2.809 0.665) 5.441 9.251 ( -0.153 -3.797 0.035) 3.800 9.575 ( 0.923 -4.461 -0.357) 4.570 10.473 ( 2.288 -4.978 -4.819) 7.297 10.564 ( 2.919 -17.512 -6.596) 18.939 10.774 ( 0.360 -8.592 4.519) 9.715 11.208 ( 4.040 -9.622 -8.567) 13.502 15.796 ( 2.185 12.079 -0.304) 12.278 15.946 ( -3.080 1.003 4.728) 5.731 16.003 ( -0.925 1.525 1.045) 2.068 16.309 ( -3.841 6.334 8.984) 11.644 16.374 ( -2.855 6.585 5.906) 9.294 16.470 ( -1.477 20.290 -0.062) 20.344 18.145 ( 3.088 -0.257 -1.464) 3.427 18.741 ( -1.078 -4.144 6.725) 7.972 19.141 ( -2.019 -11.674 8.230) 14.426 19.429 ( 2.250 -2.448 -9.127) 9.714 ======================= Grid point 74 (32/125) ======================= q-point: (-0.43 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -11.239 -8.169 -3.689) 14.376 1.129 ( -12.534 2.251 10.417) 16.452 1.254 ( -4.943 -1.963 7.474) 9.174 1.477 ( -1.467 1.807 3.156) 3.921 1.696 ( -3.576 7.427 5.359) 9.832 1.797 ( 0.153 11.666 0.233) 11.669 2.025 ( 3.926 5.346 0.936) 6.698 2.075 ( 2.327 1.793 4.141) 5.078 2.147 ( 9.795 8.350 6.846) 14.579 2.399 ( -0.435 -4.365 0.286) 4.396 2.555 ( -0.642 -0.998 -1.469) 1.888 2.855 ( -4.422 2.366 9.726) 10.943 2.927 ( 3.124 5.728 -5.131) 8.301 3.402 ( -2.815 -7.253 5.244) 9.382 3.593 ( 1.566 -1.465 -1.165) 2.441 3.774 ( 4.757 -4.761 4.648) 8.179 3.819 ( -1.317 -2.811 2.873) 4.229 3.925 ( -2.223 -2.278 -3.057) 4.414 4.068 ( -2.716 -4.719 3.358) 6.397 4.140 ( -2.732 3.096 -0.237) 4.135 4.535 ( 1.893 4.650 0.153) 5.023 4.685 ( -6.555 8.501 -6.021) 12.308 4.878 ( 2.922 -3.701 -5.218) 7.033 5.138 ( 2.316 1.347 -8.208) 8.634 5.174 ( 2.259 2.508 -5.542) 6.489 5.363 ( 3.654 3.576 -0.496) 5.136 5.443 ( 1.832 4.791 -2.006) 5.507 5.778 ( -1.385 12.308 -2.878) 12.716 5.919 ( 2.519 10.016 1.343) 10.415 6.646 ( 1.245 16.821 -3.344) 17.195 6.764 ( -1.431 6.896 6.044) 9.280 7.379 ( 0.271 -0.698 2.070) 2.201 7.474 ( -0.136 0.363 3.204) 3.227 7.611 ( -3.085 -0.262 7.409) 8.029 7.845 ( -0.398 2.760 -3.168) 4.221 8.166 ( -3.202 -0.920 -4.798) 5.841 8.226 ( 0.179 5.573 -0.203) 5.579 8.635 ( 2.672 -3.207 -0.046) 4.174 9.236 ( -0.354 -3.979 -0.311) 4.007 9.581 ( -0.613 -4.478 -0.058) 4.520 10.447 ( -1.050 -9.318 -7.752) 12.167 10.562 ( -0.977 -6.676 0.446) 6.762 10.791 ( -1.235 -19.070 -3.322) 19.397 11.220 ( 1.301 -7.505 -5.766) 9.554 15.818 ( 0.799 16.122 -1.916) 16.255 15.932 ( -0.494 -1.804 6.014) 6.298 16.044 ( 3.812 1.284 1.177) 4.192 16.280 ( -3.219 4.869 5.371) 7.932 16.365 ( -1.540 8.108 9.280) 12.419 16.482 ( 2.525 20.910 1.164) 21.094 18.199 ( 2.537 -0.440 1.111) 2.804 18.758 ( -1.153 -3.959 8.020) 9.018 19.124 ( -3.442 -11.583 6.633) 13.785 19.427 ( 1.912 -3.076 -9.351) 10.028 ======================= Grid point 75 (33/125) ======================= q-point: (-0.29 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -14.380 2.645 -2.119) 14.774 0.910 ( -14.507 5.053 11.780) 19.358 1.235 ( -1.433 -1.400 6.746) 7.038 1.404 ( -11.325 20.337 0.468) 23.282 1.557 ( -4.477 0.362 5.321) 6.963 1.874 ( 3.579 2.921 0.654) 4.666 2.063 ( -0.397 5.794 2.063) 6.163 2.146 ( 0.944 -2.094 5.823) 6.260 2.380 ( 0.756 -6.704 -1.139) 6.842 2.459 ( 15.711 5.306 6.696) 17.884 2.563 ( 2.122 1.320 -2.348) 3.429 2.791 ( -6.511 -0.438 11.110) 12.885 2.990 ( 5.770 5.133 -5.051) 9.228 3.374 ( -3.025 -6.710 7.062) 10.201 3.626 ( 1.735 -1.660 -0.616) 2.479 3.779 ( -3.012 0.195 -2.274) 3.779 3.851 ( -1.981 -6.199 4.276) 7.787 3.899 ( 2.467 -1.184 -0.106) 2.738 3.971 ( -6.815 -2.692 2.073) 7.615 4.136 ( 1.030 0.761 -0.745) 1.482 4.471 ( -6.561 9.861 -4.136) 12.546 4.592 ( -1.478 6.468 1.555) 6.815 4.874 ( 0.400 -6.832 -7.696) 10.299 5.160 ( 3.377 -1.577 -10.687) 11.319 5.190 ( 1.988 5.527 -2.439) 6.360 5.422 ( 1.292 -2.760 -3.009) 4.283 5.477 ( 3.620 10.112 -2.175) 10.959 5.752 ( 0.531 14.415 -2.415) 14.625 6.009 ( 6.650 9.447 0.800) 11.581 6.642 ( 0.420 18.957 -5.934) 19.869 6.767 ( -1.546 5.537 6.712) 8.837 7.388 ( -0.789 0.648 2.450) 2.654 7.491 ( -1.103 -0.750 4.161) 4.370 7.644 ( 3.492 -0.162 14.377) 14.796 7.846 ( 2.601 3.300 -4.979) 6.515 8.115 ( 1.603 -0.734 -4.154) 4.513 8.226 ( -0.951 5.425 0.902) 5.581 8.630 ( -3.288 -4.506 -4.818) 7.371 9.268 ( 3.205 -3.416 1.814) 5.023 9.550 ( -2.243 -3.444 0.106) 4.112 10.401 ( 0.839 -8.501 -6.275) 10.599 10.536 ( -2.824 -2.597 2.838) 4.772 10.580 ( -16.957 -30.611 -18.493) 39.580 11.214 ( -0.310 -5.812 -1.002) 5.906 15.812 ( 0.466 15.184 -6.058) 16.354 15.976 ( 1.406 -2.919 5.136) 6.073 16.144 ( 5.184 4.678 -0.523) 7.002 16.245 ( -1.855 5.825 2.526) 6.614 16.433 ( 3.363 10.887 9.160) 14.620 16.611 ( 10.362 25.105 11.802) 29.613 18.254 ( 2.285 -0.638 2.551) 3.483 18.774 ( -1.753 -3.847 9.363) 10.273 19.085 ( -3.206 -10.421 4.176) 11.675 19.380 ( -2.423 -5.978 -11.012) 12.762 ======================= Grid point 76 (34/125) ======================= q-point: (-0.14 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -3.051 16.797 6.267) 18.186 0.721 ( -11.492 10.173 16.993) 22.898 1.120 ( -14.631 28.824 7.536) 33.192 1.271 ( 0.010 -0.498 7.166) 7.184 1.577 ( 2.891 -3.793 1.368) 4.962 1.892 ( -0.583 3.268 -4.407) 5.518 2.070 ( -0.225 2.482 3.975) 4.691 2.145 ( -3.638 -0.632 5.474) 6.603 2.403 ( 1.258 -7.433 -0.302) 7.544 2.564 ( 0.042 -1.483 -3.898) 4.171 2.714 ( 1.613 1.173 6.838) 7.123 2.807 ( 5.704 4.134 7.078) 9.986 3.141 ( 13.084 0.175 -2.492) 13.321 3.365 ( -1.947 -6.019 8.768) 10.812 3.621 ( -2.857 -4.097 -2.318) 5.507 3.674 ( -6.340 -0.851 -5.058) 8.155 3.786 ( -5.302 -4.785 -0.625) 7.169 3.819 ( -4.620 3.462 -2.147) 6.159 3.977 ( 2.346 0.642 5.029) 5.586 4.173 ( 2.746 1.734 1.432) 3.549 4.375 ( -1.438 9.818 -1.304) 10.008 4.558 ( -2.905 5.756 0.475) 6.465 4.812 ( -3.236 -6.809 -5.673) 9.435 5.142 ( 0.732 0.143 -7.443) 7.480 5.231 ( 3.287 4.004 -4.754) 7.031 5.395 ( -1.050 -2.649 -4.443) 5.279 5.532 ( 2.936 8.756 -2.836) 9.661 5.774 ( 2.472 15.584 -4.117) 16.307 6.197 ( 12.755 11.118 -1.723) 17.008 6.581 ( -2.538 19.860 -12.637) 23.676 6.771 ( -1.852 4.468 7.643) 9.045 7.375 ( -1.318 1.458 1.649) 2.565 7.484 ( -1.221 -0.689 4.372) 4.591 7.881 ( 5.441 1.866 -2.624) 6.323 7.954 ( 14.669 -6.205 26.391) 30.824 8.186 ( 4.069 0.533 -1.118) 4.253 8.201 ( 1.171 3.479 0.320) 3.685 8.464 ( -9.771 -3.913 -5.808) 12.022 9.340 ( 2.285 -2.779 1.499) 3.897 9.513 ( -1.600 -2.383 0.487) 2.911 9.881 ( -41.115 -20.607 -19.156) 49.820 10.417 ( 1.910 -6.450 -1.457) 6.882 10.519 ( 0.222 -3.978 -0.329) 3.998 11.181 ( -2.771 -6.097 -0.624) 6.726 15.764 ( -1.224 11.624 -8.761) 14.607 16.022 ( 0.642 -3.967 3.109) 5.081 16.204 ( 2.214 7.492 -0.037) 7.813 16.263 ( 1.855 5.747 3.202) 6.835 16.518 ( 2.217 12.654 1.137) 12.897 17.113 ( 32.162 29.046 8.781) 44.217 18.322 ( 3.681 -0.917 0.256) 3.802 18.790 ( -1.796 -3.633 11.568) 12.258 19.036 ( -3.275 -6.363 -5.877) 9.261 19.180 ( -12.828 -11.801 -3.202) 17.722 ======================= Grid point 77 (35/125) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -2.607 11.361 18.175) 21.592 0.940 ( 0.595 18.634 5.453) 19.424 1.289 ( 0.725 -0.822 8.058) 8.133 1.571 ( 0.932 16.404 1.168) 16.472 1.607 ( 1.521 1.306 4.143) 4.602 1.882 ( -2.372 2.845 -1.260) 3.913 2.068 ( -2.613 -1.710 0.563) 3.173 2.151 ( -1.105 3.255 0.351) 3.455 2.286 ( 4.012 -6.625 -0.529) 7.763 2.398 ( -3.963 -7.644 4.442) 9.689 2.754 ( -0.980 -0.205 4.977) 5.077 2.958 ( -4.793 5.255 2.090) 7.413 3.137 ( -0.643 -10.692 3.205) 11.181 3.247 ( -1.975 -2.020 -2.014) 3.470 3.398 ( -2.504 -5.974 -4.250) 7.747 3.609 ( -0.463 -2.509 1.395) 2.908 3.737 ( 4.161 4.519 2.075) 6.484 3.926 ( -0.189 7.730 -2.441) 8.109 4.101 ( 2.380 3.246 5.642) 6.931 4.261 ( 1.346 2.195 -0.930) 2.738 4.533 ( -1.970 1.406 -1.121) 2.667 4.595 ( -1.568 8.941 -0.539) 9.093 4.710 ( 2.595 -1.063 -2.618) 3.836 5.126 ( 2.285 -0.861 -9.342) 9.656 5.290 ( 0.930 -1.275 -3.774) 4.091 5.298 ( 1.975 -3.285 -5.913) 7.047 5.844 ( 2.352 16.561 1.021) 16.758 6.072 ( -1.367 15.179 -4.132) 15.791 6.536 ( -3.041 9.790 -1.576) 10.371 6.805 ( 5.115 9.154 -12.871) 16.602 6.891 ( -1.526 7.274 5.897) 9.488 7.408 ( -0.726 2.174 2.321) 3.262 7.478 ( 0.237 -1.152 5.081) 5.216 7.724 ( -10.332 -12.495 16.377) 23.046 8.043 ( 5.206 4.875 -5.770) 9.175 8.262 ( -2.790 4.888 -0.923) 5.703 8.314 ( 6.473 -2.825 0.421) 7.076 8.362 ( -0.120 -4.448 5.321) 6.937 9.318 ( -7.027 1.710 -3.013) 7.835 9.440 ( 9.546 2.769 3.027) 10.390 9.504 ( 0.437 -1.705 3.432) 3.857 10.307 ( 3.857 -10.320 1.075) 11.070 10.401 ( -1.497 -4.810 -2.421) 5.589 10.965 ( -0.977 -9.326 -3.334) 9.952 15.798 ( -1.782 2.358 -2.445) 3.836 15.962 ( -0.296 -2.799 0.647) 2.888 16.434 ( 0.138 7.038 6.132) 9.335 16.438 ( 0.888 7.704 7.463) 10.763 16.898 ( -0.832 22.021 -1.476) 22.086 17.815 ( 2.772 10.510 -21.844) 24.399 18.232 ( -10.094 1.285 -7.704) 12.763 18.664 ( -6.534 -6.204 3.471) 9.655 18.808 ( -1.728 -12.480 9.917) 16.034 18.938 ( 10.575 -6.294 6.077) 13.725 ======================= Grid point 78 (36/125) ======================= q-point: ( 0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -1.593 13.153 5.063) 14.184 1.004 ( 2.846 9.511 18.509) 21.003 1.324 ( -2.037 0.462 11.239) 11.431 1.604 ( -2.939 0.361 4.448) 5.344 1.658 ( 4.596 9.451 -0.690) 10.532 1.869 ( -1.332 -2.260 -1.305) 2.930 2.026 ( 2.399 4.271 0.857) 4.973 2.140 ( -0.066 4.783 -0.568) 4.818 2.332 ( -1.483 -3.246 3.185) 4.783 2.402 ( 2.449 -7.203 -0.871) 7.658 2.732 ( -5.574 3.040 0.081) 6.350 2.814 ( -5.165 8.067 6.965) 11.843 3.114 ( -0.860 -2.633 -2.319) 3.612 3.239 ( -1.947 -6.545 6.059) 9.129 3.320 ( -0.764 -7.218 -5.154) 8.902 3.646 ( 3.250 -2.493 -2.576) 4.839 3.832 ( 0.047 3.762 2.133) 4.325 3.927 ( 2.045 2.342 4.717) 5.649 4.086 ( -3.657 5.899 0.307) 6.947 4.330 ( 3.937 0.005 4.750) 6.170 4.475 ( -2.943 1.703 -3.990) 5.242 4.564 ( -0.101 0.689 -1.928) 2.050 4.819 ( 8.710 5.396 -3.077) 10.699 5.135 ( 3.298 -1.799 -9.556) 10.268 5.277 ( 0.767 -2.756 -3.987) 4.907 5.327 ( 2.406 0.447 -5.158) 5.709 5.877 ( -1.604 16.112 1.240) 16.239 6.017 ( 0.099 16.280 -3.702) 16.696 6.378 ( -8.341 13.634 -1.631) 16.066 6.854 ( -1.013 7.271 3.965) 8.344 6.953 ( 8.135 9.318 -7.778) 14.612 7.403 ( -1.168 2.581 2.063) 3.504 7.513 ( 0.151 -0.813 5.629) 5.689 7.594 ( -8.192 -4.386 10.592) 14.090 8.119 ( 2.743 4.559 -0.472) 5.342 8.174 ( -2.283 6.202 -5.620) 8.675 8.298 ( -4.102 -1.719 3.492) 5.655 8.514 ( 7.278 -9.490 3.270) 12.398 9.224 ( -3.104 -3.124 -0.827) 4.481 9.490 ( -1.509 -2.576 1.774) 3.473 9.742 ( 15.353 -12.146 1.390) 19.626 10.358 ( -0.161 -3.426 -4.198) 5.421 10.405 ( 4.608 -10.197 4.415) 12.029 10.953 ( 1.767 -8.688 -4.983) 10.170 15.780 ( 0.799 2.393 -0.482) 2.569 15.952 ( -0.537 -2.385 -0.963) 2.627 16.453 ( -1.794 7.538 6.097) 9.860 16.477 ( -1.441 7.360 9.193) 11.865 16.820 ( -6.746 20.630 -1.466) 21.754 17.477 ( -20.129 27.596 -14.772) 37.214 18.080 ( -0.362 -1.378 -6.189) 6.351 18.616 ( -1.989 -7.520 4.638) 9.056 18.831 ( -1.625 -13.173 11.208) 17.372 19.177 ( 9.931 -9.899 -2.504) 14.244 ======================= Grid point 79 (37/125) ======================= q-point: ( 0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -1.479 4.500 2.871) 5.539 1.185 ( 5.556 6.169 17.605) 19.464 1.330 ( -3.410 0.744 11.877) 12.379 1.542 ( -5.773 -1.295 3.822) 7.044 1.689 ( -2.162 -0.314 0.663) 2.283 1.831 ( 1.750 -0.665 -3.360) 3.846 2.134 ( 1.189 2.614 -0.620) 2.938 2.163 ( 5.700 11.655 2.880) 13.290 2.312 ( -0.466 0.616 -0.379) 0.860 2.414 ( -0.563 -3.957 1.160) 4.162 2.559 ( -7.807 13.653 -1.215) 15.774 2.883 ( 2.790 4.860 10.392) 11.806 3.085 ( -0.535 1.726 -2.854) 3.378 3.232 ( 0.133 -8.062 3.213) 8.680 3.346 ( 3.294 -7.723 0.317) 8.402 3.676 ( 0.862 -2.138 -1.854) 2.958 3.794 ( -4.233 -1.920 2.598) 5.325 3.913 ( -4.210 2.351 1.279) 4.989 4.098 ( 3.376 5.074 1.641) 6.311 4.352 ( -6.057 0.142 4.079) 7.304 4.460 ( 5.394 2.860 -3.664) 7.120 4.568 ( 1.159 -10.431 -2.048) 10.693 4.974 ( 8.348 11.083 -5.257) 14.837 5.151 ( 3.399 -0.841 -8.148) 8.869 5.277 ( 1.163 -2.519 -3.707) 4.630 5.324 ( -0.157 3.506 -5.178) 6.255 5.791 ( -4.907 17.698 -1.816) 18.455 6.059 ( 3.106 15.242 0.221) 15.557 6.240 ( -5.275 16.435 -0.038) 17.261 6.848 ( -1.558 7.258 5.238) 9.085 7.052 ( 5.562 13.999 -7.067) 16.639 7.372 ( -3.393 1.168 3.768) 5.203 7.497 ( -2.901 -1.518 4.762) 5.779 7.579 ( 0.382 -0.277 6.352) 6.370 8.042 ( -5.392 4.106 -0.124) 6.779 8.229 ( 4.200 5.781 -4.424) 8.404 8.253 ( -0.472 -0.542 2.310) 2.420 8.600 ( 0.147 -8.568 0.577) 8.589 9.169 ( -2.496 -5.388 0.941) 6.012 9.458 ( -1.743 -6.193 -0.070) 6.434 9.971 ( 8.320 -23.026 -3.038) 24.671 10.355 ( 2.317 -5.731 -4.676) 7.751 10.529 ( 4.230 -7.911 5.655) 10.604 10.975 ( 3.157 -8.897 -5.581) 10.967 15.819 ( 2.541 1.395 1.839) 3.433 15.935 ( -0.529 -2.055 -1.183) 2.429 16.403 ( -6.224 12.167 2.871) 13.965 16.476 ( -3.263 7.059 8.751) 11.707 16.647 ( -8.889 17.703 3.179) 20.063 17.132 ( -9.318 32.158 -5.395) 33.913 18.081 ( 3.198 -2.386 -6.872) 7.946 18.612 ( -1.273 -7.411 5.953) 9.590 18.852 ( -2.291 -13.962 11.601) 18.297 19.289 ( 4.763 -9.770 -6.724) 12.781 ======================= Grid point 80 (38/125) ======================= q-point: ( 0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -1.628 -1.438 0.066) 2.173 1.292 ( -4.222 0.634 8.056) 9.117 1.344 ( -4.875 0.865 12.156) 13.125 1.435 ( -1.834 1.684 4.757) 5.369 1.658 ( -1.154 -3.696 6.313) 7.406 1.899 ( 5.488 0.803 -0.577) 5.577 2.146 ( 0.128 3.424 0.542) 3.469 2.218 ( -0.353 11.540 -1.668) 11.665 2.326 ( 0.801 7.252 -0.253) 7.301 2.433 ( -0.391 10.543 3.773) 11.204 2.454 ( -0.749 -2.006 1.244) 2.477 2.960 ( 0.329 7.341 7.308) 10.363 3.076 ( -0.154 6.434 -1.896) 6.710 3.240 ( -2.045 -9.721 5.626) 11.416 3.432 ( 4.861 -7.241 -1.107) 8.792 3.684 ( 0.576 -3.825 2.106) 4.404 3.718 ( -3.102 -0.888 2.761) 4.247 3.870 ( -0.324 -1.654 -1.518) 2.268 4.135 ( -2.687 3.535 3.220) 5.485 4.252 ( -2.844 1.030 -1.455) 3.356 4.550 ( 3.959 1.351 0.095) 4.184 4.575 ( 0.760 -12.826 -2.768) 13.144 5.054 ( 3.946 7.886 -8.597) 12.315 5.207 ( 4.727 5.744 -4.516) 8.702 5.258 ( -2.557 5.381 -5.110) 7.849 5.294 ( 1.619 -2.036 -3.701) 4.524 5.714 ( -1.603 18.094 -1.544) 18.230 6.092 ( 0.104 14.899 -1.125) 14.942 6.180 ( -1.239 17.251 1.461) 17.357 6.851 ( -0.953 7.587 5.454) 9.392 7.095 ( 2.236 18.758 -5.641) 19.715 7.336 ( -1.723 -2.328 4.217) 5.115 7.482 ( -0.877 0.275 2.808) 2.954 7.611 ( -0.955 -0.109 6.684) 6.753 7.956 ( -2.885 3.574 -1.662) 4.885 8.203 ( -2.199 -2.264 -1.541) 3.512 8.334 ( 4.583 6.879 -2.150) 8.541 8.559 ( -2.657 -3.840 0.634) 4.712 9.133 ( -1.707 -8.020 0.035) 8.200 9.440 ( 0.164 -8.823 -0.708) 8.853 10.056 ( 2.972 -25.113 -4.387) 25.666 10.380 ( 1.773 -8.352 -4.297) 9.559 10.592 ( -0.343 -6.846 3.533) 7.711 11.014 ( 3.188 -9.381 -4.285) 10.795 15.875 ( 1.232 -0.053 3.022) 3.264 15.930 ( 0.594 -1.893 0.036) 1.984 16.285 ( -4.316 18.049 0.413) 18.563 16.446 ( -3.994 7.030 7.730) 11.186 16.564 ( -3.106 13.467 7.148) 15.559 17.016 ( -1.387 30.655 -3.195) 30.852 18.120 ( 3.750 -2.752 -5.225) 6.995 18.625 ( -1.002 -6.989 7.595) 10.370 18.856 ( -3.362 -14.554 11.169) 18.651 19.319 ( 2.546 -9.195 -8.183) 12.570 ======================= Grid point 81 (39/125) ======================= q-point: (-0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -2.359 0.809 -2.001) 3.197 1.153 ( -9.956 -1.012 2.289) 10.266 1.262 ( -5.599 3.352 8.796) 10.953 1.494 ( -0.189 2.313 9.333) 9.617 1.709 ( 2.046 -4.320 6.874) 8.373 2.014 ( 4.559 -0.751 2.531) 5.268 2.116 ( -4.462 8.138 0.227) 9.284 2.187 ( -0.145 7.043 -1.947) 7.308 2.321 ( -2.122 1.650 -0.319) 2.707 2.444 ( 3.624 15.768 5.192) 16.991 2.519 ( 2.634 -1.807 1.982) 3.759 2.937 ( -7.529 6.517 8.528) 13.111 3.067 ( 2.157 7.185 -4.457) 8.726 3.222 ( -2.655 -9.607 6.490) 11.894 3.494 ( 1.957 -7.401 0.742) 7.691 3.713 ( 2.041 -1.039 0.385) 2.323 3.749 ( 2.174 -3.417 5.995) 7.235 3.873 ( 1.339 -2.361 -1.873) 3.298 4.027 ( -6.825 -0.192 -1.385) 6.967 4.232 ( -0.553 4.916 0.123) 4.948 4.558 ( 0.286 -12.284 -3.774) 12.854 4.620 ( 1.782 2.927 2.432) 4.202 5.065 ( -0.646 10.347 -6.739) 12.365 5.143 ( -1.624 2.946 -9.676) 10.244 5.273 ( 2.196 4.754 -1.986) 5.601 5.323 ( 2.961 -2.600 -4.295) 5.829 5.716 ( 2.315 17.729 -1.548) 17.946 6.072 ( -0.831 15.681 -1.484) 15.773 6.190 ( 1.494 16.316 1.286) 16.435 6.865 ( -0.729 7.731 6.390) 10.057 7.085 ( 0.069 17.433 -6.730) 18.687 7.356 ( 0.844 -1.464 5.725) 5.969 7.482 ( -0.797 0.414 2.514) 2.670 7.610 ( -2.443 0.411 7.787) 8.171 7.919 ( 0.521 4.149 -3.342) 5.353 8.137 ( -2.420 -1.784 -4.623) 5.514 8.374 ( 0.463 8.026 -0.513) 8.056 8.552 ( 0.653 -4.524 -0.208) 4.575 9.114 ( 0.691 -7.902 -0.488) 7.947 9.447 ( 0.524 -8.552 -0.206) 8.571 10.057 ( -0.502 -24.469 -4.221) 24.835 10.354 ( -2.269 -13.072 -5.982) 14.553 10.560 ( -3.898 -3.306 1.978) 5.481 11.047 ( 1.739 -9.429 -2.294) 9.859 15.898 ( -0.034 -1.159 3.824) 3.996 15.943 ( 0.076 -1.049 0.049) 1.053 16.279 ( 2.755 15.830 -0.280) 16.071 16.407 ( -3.234 6.951 5.575) 9.480 16.591 ( 2.237 15.481 9.058) 18.075 17.035 ( 4.952 31.018 -2.323) 31.497 18.168 ( 3.305 -3.445 -3.468) 5.901 18.647 ( -1.332 -6.600 9.594) 11.721 18.838 ( -3.855 -14.589 9.888) 18.041 19.307 ( 0.488 -9.448 -8.879) 12.975 ======================= Grid point 82 (40/125) ======================= q-point: (-0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -1.385 10.757 0.148) 10.847 1.017 ( -7.402 4.897 9.180) 12.769 1.205 ( -2.819 -0.214 4.168) 5.037 1.520 ( -1.023 2.250 7.793) 8.176 1.763 ( -1.311 1.302 2.840) 3.388 1.988 ( -4.835 12.007 -2.284) 13.144 2.061 ( -0.649 -5.900 2.904) 6.608 2.211 ( -1.806 6.506 2.122) 7.078 2.266 ( -0.751 -2.617 1.699) 3.210 2.553 ( 1.652 -1.178 -2.723) 3.396 2.610 ( 7.437 6.921 4.925) 11.290 2.819 ( -6.727 5.213 11.244) 14.101 3.107 ( 3.636 5.921 -3.542) 7.799 3.206 ( -2.636 -8.851 8.141) 12.311 3.528 ( 0.303 -7.669 1.912) 7.910 3.738 ( -0.326 -2.857 0.386) 2.901 3.796 ( -1.223 0.436 0.527) 1.401 3.893 ( -1.603 -3.421 3.648) 5.251 3.917 ( 1.406 1.767 -6.409) 6.795 4.223 ( -0.028 6.149 0.804) 6.201 4.558 ( 1.313 -4.647 -2.261) 5.332 4.642 ( -0.943 1.820 2.683) 3.377 4.920 ( -7.603 9.866 -6.379) 13.994 5.140 ( 3.489 -0.334 -10.003) 10.599 5.282 ( 0.151 2.587 -2.660) 3.714 5.346 ( 1.517 -3.684 -5.346) 6.667 5.767 ( 3.183 17.208 -2.329) 17.654 6.060 ( 0.543 15.294 -0.668) 15.318 6.266 ( 6.028 15.396 0.747) 16.551 6.883 ( -1.230 7.548 7.647) 10.815 7.030 ( -1.507 13.630 -10.324) 17.165 7.402 ( -0.105 0.209 6.745) 6.749 7.469 ( -1.696 -1.028 2.433) 3.139 7.637 ( 0.731 -0.765 12.957) 13.000 7.939 ( 3.398 5.551 -5.202) 8.333 8.096 ( 1.401 -0.986 -4.291) 4.621 8.362 ( -1.520 6.972 0.320) 7.143 8.515 ( -3.986 -5.922 -3.275) 7.854 9.174 ( 4.822 -5.168 1.489) 7.223 9.453 ( 0.160 -5.795 -0.045) 5.797 9.961 ( -9.730 -22.277 -3.524) 24.564 10.246 ( -2.520 -11.602 -8.541) 14.625 10.491 ( -3.711 -1.120 2.397) 4.558 11.051 ( -0.503 -9.850 -1.331) 9.953 15.918 ( -1.298 -0.839 3.016) 3.389 15.928 ( -0.047 -1.104 -0.074) 1.108 16.334 ( 2.401 10.335 0.018) 10.611 16.386 ( -1.430 7.234 4.451) 8.613 16.744 ( 7.690 19.228 6.063) 21.578 17.215 ( 15.944 30.959 -1.195) 34.843 18.214 ( 3.231 -4.307 -2.703) 6.025 18.668 ( -2.125 -6.166 11.958) 13.621 18.813 ( -3.361 -14.129 8.467) 16.811 19.229 ( -4.311 -9.662 -10.063) 14.601 ======================= Grid point 83 (41/125) ======================= q-point: (-0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 2.461 17.156 6.934) 18.667 0.931 ( -6.786 11.713 12.989) 18.761 1.223 ( 2.193 -2.427 3.841) 5.045 1.551 ( 0.866 1.457 5.701) 5.947 1.647 ( -7.710 16.230 -0.580) 17.977 1.951 ( -1.911 3.512 -0.764) 4.070 2.065 ( 0.309 -3.961 3.191) 5.096 2.157 ( -1.099 1.033 0.297) 1.537 2.276 ( -1.548 -3.424 2.427) 4.473 2.488 ( -5.310 -4.910 -2.088) 7.528 2.719 ( 1.017 -0.351 7.968) 8.040 2.897 ( 6.507 4.807 6.450) 10.346 3.143 ( -0.068 -2.201 -0.117) 2.205 3.228 ( 2.112 -3.809 5.071) 6.685 3.492 ( -4.497 -7.376 -1.462) 8.762 3.681 ( -6.214 -3.339 -1.003) 7.125 3.719 ( -1.271 1.865 -1.908) 2.955 3.910 ( 1.865 5.975 0.218) 6.263 3.990 ( 5.334 0.553 1.870) 5.679 4.243 ( 1.283 5.081 0.134) 5.242 4.570 ( 0.064 7.704 -1.661) 7.881 4.615 ( -2.183 -2.747 1.751) 3.921 4.762 ( -4.993 4.138 -4.527) 7.908 5.140 ( 1.673 0.074 -9.613) 9.758 5.273 ( 1.158 -0.582 -3.720) 3.939 5.327 ( -0.200 -3.724 -5.789) 6.886 5.804 ( 2.007 16.934 -1.529) 17.121 6.082 ( 1.541 14.798 -1.662) 14.971 6.428 ( 9.756 12.194 -0.130) 15.617 6.888 ( -2.892 6.593 6.426) 9.650 6.915 ( -3.319 11.146 -12.618) 17.160 7.412 ( -1.358 1.787 4.239) 4.797 7.459 ( -0.751 -1.859 3.944) 4.424 7.743 ( -0.749 -10.782 20.086) 22.809 7.983 ( 4.202 5.429 -6.399) 9.385 8.161 ( 6.471 -1.570 -2.048) 6.966 8.321 ( -2.170 5.761 -0.408) 6.170 8.400 ( -4.825 -1.880 -1.475) 5.384 9.287 ( 5.389 -1.263 2.494) 6.071 9.455 ( -0.304 -2.589 -0.675) 2.693 9.637 ( -17.734 -5.788 -2.790) 18.862 10.236 ( 3.806 -11.598 -4.405) 12.977 10.442 ( -2.508 -2.592 1.204) 3.802 11.014 ( -2.183 -10.060 -1.848) 10.458 15.862 ( -2.994 1.267 -2.674) 4.210 15.953 ( 0.277 -2.788 3.038) 4.132 16.381 ( 1.819 8.609 3.471) 9.459 16.399 ( 0.208 7.170 5.070) 8.784 16.874 ( 3.663 21.417 0.402) 21.732 17.613 ( 23.059 19.690 -8.906) 31.603 18.277 ( 4.956 -4.264 -4.111) 7.723 18.695 ( -1.694 -5.033 15.370) 16.262 18.798 ( -1.996 -13.653 6.528) 15.264 19.015 ( -12.278 -7.085 -8.772) 16.670 ======================= Grid point 84 (42/125) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -1.659 8.558 15.071) 17.410 1.266 ( 1.361 -0.038 8.788) 8.893 1.308 ( -1.395 16.181 3.618) 16.639 1.667 ( 0.910 4.819 5.737) 7.547 1.733 ( 0.811 1.609 -3.752) 4.162 1.910 ( -6.134 -2.218 1.424) 6.677 1.985 ( -0.699 -4.751 -1.540) 5.043 2.123 ( 6.529 -8.419 -1.056) 10.706 2.227 ( -0.292 2.471 -2.105) 3.259 2.288 ( -5.089 -2.903 6.025) 8.404 2.741 ( 0.100 -0.185 3.794) 3.800 2.920 ( -0.144 -9.703 3.853) 10.441 3.103 ( -3.530 7.399 6.843) 10.678 3.254 ( -4.119 2.464 -1.558) 5.047 3.285 ( -1.921 -4.119 -3.571) 5.780 3.528 ( -1.538 -5.585 3.323) 6.679 3.859 ( 5.879 7.030 2.792) 9.580 4.100 ( 4.276 0.225 4.255) 6.036 4.130 ( -0.049 7.412 -3.065) 8.021 4.363 ( -3.446 8.220 -1.890) 9.111 4.467 ( -1.828 -5.532 -0.442) 5.843 4.684 ( -3.791 -2.071 -3.832) 5.775 4.808 ( 5.398 9.616 -1.324) 11.106 5.109 ( 0.949 -1.550 -8.642) 8.831 5.209 ( 3.307 -4.564 -6.364) 8.501 5.242 ( 2.010 -3.015 -5.295) 6.416 6.178 ( 1.550 14.702 1.085) 14.823 6.331 ( -0.214 8.826 -2.565) 9.194 6.733 ( -1.190 8.994 -1.010) 9.129 6.908 ( 2.383 1.596 -5.892) 6.553 7.045 ( -3.010 8.127 7.158) 11.241 7.410 ( -1.090 -5.750 10.604) 12.112 7.449 ( 0.075 -0.038 3.194) 3.196 7.514 ( -4.502 -5.883 8.124) 10.994 8.130 ( 4.515 2.896 -4.031) 6.710 8.238 ( 4.321 -3.833 -0.433) 5.792 8.303 ( -1.262 1.058 0.329) 1.680 8.370 ( -3.032 2.002 -1.927) 4.113 9.389 ( -8.424 4.964 -3.418) 10.358 9.477 ( -0.521 -0.864 1.748) 2.019 9.517 ( 7.461 5.232 2.450) 9.436 10.024 ( 5.101 -15.880 -1.205) 16.723 10.393 ( -1.296 3.548 -1.270) 3.985 10.752 ( -0.215 -11.258 -3.137) 11.689 15.835 ( -1.526 1.626 -0.178) 2.237 15.910 ( -0.480 -2.264 1.249) 2.630 16.558 ( -0.358 5.117 7.981) 9.487 16.575 ( -0.261 4.881 9.818) 10.967 17.377 ( -1.171 24.007 -2.728) 24.190 17.935 ( 3.693 1.482 -14.042) 14.595 18.243 ( -1.205 -0.303 -9.983) 10.060 18.446 ( -3.122 -13.698 -1.777) 14.161 18.669 ( -5.959 -1.549 11.915) 13.412 18.809 ( 4.404 -6.318 7.610) 10.827 ======================= Grid point 85 (43/125) ======================= q-point: ( 0.14 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -1.001 7.405 14.538) 16.346 1.227 ( -5.492 13.474 2.824) 14.822 1.321 ( -1.857 -0.712 11.866) 12.032 1.668 ( -4.011 5.694 6.200) 9.325 1.703 ( -5.397 -6.100 -0.715) 8.176 1.803 ( 0.362 -0.679 -4.265) 4.334 2.052 ( 5.943 -1.133 -0.728) 6.093 2.214 ( 0.840 -8.201 4.477) 9.382 2.251 ( 3.086 4.147 0.280) 5.177 2.316 ( 6.242 -0.794 -2.969) 6.958 2.764 ( -0.259 1.273 5.701) 5.847 2.936 ( 0.495 -5.301 3.366) 6.298 3.088 ( -1.099 6.416 5.300) 8.394 3.172 ( -3.474 -0.637 -0.081) 3.533 3.218 ( -1.304 -0.570 -3.717) 3.980 3.555 ( 2.659 -6.786 1.904) 7.533 3.956 ( -7.152 8.778 -2.030) 11.503 4.031 ( 3.700 6.942 4.856) 9.244 4.205 ( -3.389 3.331 4.159) 6.315 4.302 ( 2.217 -1.748 1.392) 3.148 4.423 ( -2.393 -5.126 -3.670) 6.743 4.540 ( -6.346 -1.928 -5.228) 8.445 4.993 ( 11.640 8.800 -2.317) 14.775 5.110 ( 3.300 -0.441 -9.444) 10.014 5.220 ( 1.739 -2.278 -5.882) 6.543 5.306 ( 5.783 -2.799 -4.290) 7.726 6.201 ( -0.583 14.534 1.060) 14.584 6.311 ( 0.440 11.104 -1.725) 11.245 6.661 ( -3.704 13.550 -1.075) 14.088 6.991 ( 3.560 3.489 -0.237) 4.990 7.037 ( 2.029 2.862 1.538) 3.831 7.407 ( -3.983 -5.493 8.111) 10.575 7.478 ( -1.599 -2.582 4.399) 5.346 7.502 ( 1.992 -1.884 5.902) 6.508 8.202 ( 0.735 2.883 0.726) 3.062 8.230 ( -1.899 -1.541 1.504) 2.871 8.302 ( -0.194 2.922 -5.161) 5.934 8.364 ( 4.674 -4.480 -0.512) 6.495 9.207 ( -8.410 2.087 -1.915) 8.874 9.416 ( -5.315 -5.375 0.380) 7.568 9.659 ( 5.222 3.318 1.229) 6.308 10.109 ( 3.040 -14.782 0.198) 15.093 10.402 ( 3.246 4.432 -0.971) 5.578 10.754 ( 2.092 -10.551 -3.936) 11.454 15.820 ( -0.036 1.879 0.803) 2.044 15.904 ( -0.534 -2.288 0.331) 2.373 16.582 ( -1.694 5.233 8.352) 10.001 16.608 ( -2.105 4.652 11.404) 12.495 17.268 ( -7.591 22.473 -4.406) 24.126 17.949 ( 2.648 13.866 -14.515) 20.247 17.996 ( -11.134 -2.874 -9.489) 14.909 18.440 ( -0.044 -8.644 3.755) 9.424 18.638 ( -3.980 -4.467 13.555) 14.817 18.943 ( 5.519 -13.226 0.737) 14.350 ======================= Grid point 86 (44/125) ======================= q-point: ( 0.29 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -6.492 8.772 0.192) 10.915 1.286 ( 0.612 3.633 15.376) 15.811 1.318 ( -3.749 -1.309 8.864) 9.713 1.575 ( -5.951 -7.174 3.629) 10.002 1.626 ( -3.709 6.456 5.851) 9.469 1.833 ( 3.387 -0.002 -2.722) 4.345 2.138 ( 2.712 -1.063 -1.136) 3.126 2.240 ( 0.008 -6.792 3.895) 7.829 2.351 ( 6.726 6.343 -0.222) 9.247 2.396 ( 3.312 2.316 -4.524) 6.066 2.768 ( -2.660 5.009 5.381) 7.818 2.987 ( 1.739 -4.649 5.691) 7.551 3.129 ( 3.172 2.424 -0.133) 3.994 3.137 ( 0.224 5.582 5.278) 7.686 3.235 ( 3.667 0.125 0.285) 3.680 3.632 ( 4.308 -5.520 -0.707) 7.038 3.760 ( -9.524 3.785 -1.524) 10.361 4.025 ( -7.292 5.843 2.857) 9.771 4.183 ( -0.769 -0.540 1.656) 1.904 4.317 ( -6.055 -3.853 4.291) 8.362 4.354 ( -0.354 -5.337 -3.030) 6.148 4.484 ( 4.404 -1.059 -3.913) 5.986 5.107 ( 3.075 1.521 -10.380) 10.932 5.184 ( 5.532 0.429 -4.575) 7.192 5.252 ( 5.931 3.950 -3.622) 7.993 5.384 ( 3.962 1.312 -4.214) 5.931 6.164 ( -2.394 17.748 -1.093) 17.942 6.339 ( 1.794 10.583 0.465) 10.744 6.601 ( -2.039 18.702 -0.561) 18.821 6.999 ( -1.772 7.671 6.207) 10.026 7.150 ( 7.283 -3.035 -3.765) 8.742 7.357 ( -4.031 -5.019 4.343) 7.765 7.483 ( -0.193 0.466 3.579) 3.615 7.574 ( 1.856 -1.715 5.964) 6.477 8.112 ( -5.689 2.362 0.128) 6.161 8.209 ( -3.880 -2.996 1.891) 5.254 8.351 ( 6.511 4.455 -4.741) 9.204 8.450 ( 3.941 -4.546 -0.509) 6.038 9.054 ( -6.596 -3.178 -0.102) 7.323 9.302 ( -5.529 -9.570 -0.646) 11.072 9.726 ( 1.772 -0.540 -0.958) 2.085 10.141 ( 0.996 -13.877 -1.762) 14.024 10.488 ( 4.502 2.983 0.830) 5.464 10.786 ( 3.042 -9.534 -3.743) 10.685 15.840 ( 1.112 0.984 2.073) 2.550 15.895 ( -0.415 -1.778 0.200) 1.837 16.571 ( -3.465 5.770 6.991) 9.704 16.606 ( -3.956 4.647 10.900) 12.492 17.079 ( -8.509 22.805 -3.063) 24.533 17.702 ( -9.408 15.651 -7.239) 19.644 18.005 ( 5.323 0.952 -10.827) 12.102 18.461 ( -0.104 -6.540 5.446) 8.511 18.635 ( -3.658 -6.007 13.561) 15.276 19.019 ( 3.239 -16.652 -3.246) 17.272 ======================= Grid point 87 (45/125) ======================= q-point: ( 0.43 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -2.468 7.332 -0.993) 7.800 1.240 ( -5.265 -3.328 1.644) 6.442 1.357 ( -3.190 0.719 13.362) 13.756 1.526 ( -2.540 -6.191 8.744) 11.011 1.598 ( -1.765 8.795 6.046) 10.818 1.894 ( 2.890 -1.967 1.002) 3.636 2.147 ( -0.328 -0.944 -1.613) 1.897 2.284 ( 2.432 -6.588 5.147) 8.707 2.409 ( 0.427 6.501 -3.386) 7.343 2.467 ( 4.909 5.284 -2.158) 7.528 2.731 ( -3.666 9.583 6.373) 12.078 3.026 ( -1.754 -8.659 8.028) 11.938 3.160 ( 2.539 5.399 -1.843) 6.244 3.235 ( 2.374 9.738 5.757) 11.559 3.324 ( 3.413 1.119 -0.328) 3.607 3.617 ( -3.175 -1.329 2.233) 4.103 3.686 ( 1.279 -2.325 -1.603) 3.100 3.919 ( -3.272 4.982 -0.344) 5.970 4.131 ( -3.245 -8.709 0.944) 9.342 4.170 ( -6.559 -9.267 -1.562) 11.461 4.401 ( 2.658 2.100 0.142) 3.390 4.566 ( 3.785 -1.557 1.182) 4.260 5.110 ( 2.900 1.512 -9.581) 10.124 5.216 ( 2.247 -3.167 -5.454) 6.695 5.355 ( 3.589 5.490 -2.923) 7.181 5.406 ( 1.023 5.454 -5.253) 7.641 6.119 ( -1.212 20.085 -1.979) 20.219 6.361 ( 0.150 9.674 -0.052) 9.675 6.574 ( -0.534 21.763 -0.302) 21.772 7.003 ( -1.147 7.325 6.492) 9.855 7.249 ( 2.396 -4.632 2.839) 5.937 7.307 ( -0.635 -1.803 -3.794) 4.249 7.498 ( -0.469 1.396 3.995) 4.257 7.622 ( -0.377 -0.496 6.327) 6.357 8.020 ( -2.936 2.557 -1.412) 4.142 8.137 ( -3.079 -3.884 -0.930) 5.043 8.450 ( 4.890 3.479 -2.241) 6.406 8.500 ( 1.089 -1.436 0.041) 1.803 8.955 ( -3.323 -6.203 0.680) 7.070 9.227 ( -1.250 -11.866 -1.033) 11.976 9.733 ( 0.279 -4.149 -2.516) 4.860 10.129 ( -0.863 -14.954 -4.322) 15.590 10.557 ( 1.740 2.504 1.168) 3.265 10.826 ( 2.494 -9.009 -2.406) 9.653 15.872 ( 0.464 -0.021 2.610) 2.651 15.896 ( 0.424 -1.312 0.981) 1.692 16.528 ( -3.457 6.952 4.669) 9.060 16.572 ( -4.476 4.596 8.975) 11.032 16.958 ( -2.461 23.242 0.621) 23.380 17.566 ( -1.571 15.417 -4.111) 16.033 18.047 ( 4.109 1.109 -9.710) 10.602 18.492 ( 0.001 -5.493 7.054) 8.940 18.628 ( -4.145 -6.449 12.977) 15.072 19.044 ( 1.568 -17.584 -4.882) 18.317 ======================= Grid point 88 (46/125) ======================= q-point: (-0.43 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 2.145 8.293 -1.384) 8.677 1.142 ( -4.938 0.245 0.613) 4.981 1.318 ( -5.877 1.789 10.069) 11.796 1.553 ( 0.670 -5.534 8.130) 9.858 1.608 ( -1.248 3.612 7.113) 8.075 1.918 ( -1.259 -7.488 1.395) 7.720 2.174 ( 3.100 2.976 2.873) 5.169 2.336 ( -1.649 -0.885 4.196) 4.594 2.377 ( -1.470 6.899 -4.508) 8.372 2.512 ( 1.578 1.228 -2.863) 3.492 2.706 ( -2.387 8.217 7.615) 11.455 2.999 ( -4.952 -7.965 6.808) 11.590 3.188 ( -0.208 8.419 1.677) 8.587 3.213 ( -5.061 11.775 4.069) 13.447 3.359 ( 1.258 -5.005 0.801) 5.222 3.658 ( 1.506 -4.777 0.685) 5.056 3.726 ( 5.577 1.854 2.722) 6.477 3.869 ( -1.575 1.902 -2.385) 3.433 4.010 ( -4.905 -1.930 -4.058) 6.653 4.192 ( 5.681 -13.172 0.069) 14.345 4.427 ( 0.016 3.997 1.238) 4.184 4.632 ( 1.594 -2.011 3.314) 4.192 5.127 ( 3.411 1.468 -8.612) 9.379 5.229 ( 1.643 -3.160 -5.336) 6.415 5.309 ( -4.853 6.800 -5.686) 10.106 5.396 ( -0.220 3.769 -5.246) 6.463 6.103 ( 0.801 18.924 -2.391) 19.091 6.345 ( -1.275 9.273 -0.726) 9.388 6.578 ( 1.112 21.868 -0.280) 21.898 7.019 ( -0.984 7.198 7.393) 10.365 7.235 ( -2.890 -2.208 0.065) 3.637 7.323 ( 1.980 -4.334 -2.044) 5.185 7.498 ( -1.862 1.540 4.605) 5.200 7.622 ( -3.106 -0.863 7.790) 8.431 7.994 ( 1.384 2.912 -2.671) 4.186 8.096 ( -0.163 -2.356 -3.438) 4.171 8.480 ( -2.813 -0.961 -0.031) 2.973 8.501 ( 0.791 2.647 -0.832) 2.885 8.965 ( 4.310 -3.801 1.030) 5.839 9.245 ( 3.092 -11.085 0.012) 11.508 9.719 ( -0.373 -6.027 -2.928) 6.711 10.066 ( -2.335 -14.883 -7.024) 16.622 10.563 ( -1.639 3.064 1.131) 3.654 10.849 ( 0.678 -9.663 -1.369) 9.784 15.885 ( -0.203 -0.160 2.878) 2.890 15.913 ( 0.208 -1.416 1.303) 1.936 16.500 ( -1.606 6.711 3.723) 7.841 16.532 ( -3.532 4.670 6.930) 9.072 16.999 ( 5.541 22.879 2.712) 23.697 17.599 ( 6.725 16.895 -2.934) 18.419 18.061 ( 2.256 -1.510 -9.195) 9.587 18.531 ( -0.231 -4.763 8.847) 10.051 18.607 ( -4.506 -6.519 12.029) 14.405 19.032 ( -0.248 -17.373 -5.268) 18.156 ======================= Grid point 89 (47/125) ======================= q-point: (-0.29 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 2.229 8.785 2.995) 9.545 1.101 ( 1.732 4.034 1.972) 4.813 1.249 ( -5.523 4.766 8.615) 11.289 1.596 ( -1.113 4.440 7.116) 8.461 1.653 ( 3.771 -8.563 4.097) 10.214 1.899 ( -0.864 -8.862 2.232) 9.179 2.181 ( -5.926 6.306 -3.991) 9.530 2.278 ( -2.805 1.867 4.795) 5.861 2.321 ( -4.044 4.316 1.164) 6.027 2.500 ( -1.327 -3.900 -6.036) 7.308 2.705 ( -2.225 3.727 8.973) 9.968 2.923 ( -4.570 -3.548 5.007) 7.651 3.154 ( -3.174 9.708 10.888) 14.928 3.211 ( 1.157 3.927 -0.406) 4.114 3.378 ( -0.396 -5.963 2.910) 6.647 3.637 ( -3.184 -7.973 1.405) 8.699 3.827 ( -0.469 2.198 -3.971) 4.563 3.889 ( 6.841 1.812 -0.567) 7.100 3.952 ( 2.571 3.615 -3.960) 5.946 4.309 ( 4.599 -3.314 1.399) 5.838 4.449 ( 2.631 1.004 1.279) 3.093 4.655 ( -0.985 -1.844 3.506) 4.082 5.119 ( -8.945 8.481 -7.018) 14.184 5.147 ( 2.980 1.047 -8.647) 9.206 5.246 ( 0.940 -3.196 -4.630) 5.704 5.329 ( -3.207 -0.586 -6.887) 7.620 6.120 ( 1.901 16.319 -2.212) 16.577 6.322 ( -0.309 8.855 -0.729) 8.890 6.616 ( 2.968 18.690 -0.183) 18.925 7.034 ( -1.812 6.926 8.074) 10.791 7.157 ( -3.517 -0.592 -6.695) 7.586 7.343 ( -0.366 -6.660 5.067) 8.376 7.476 ( -2.673 1.379 4.855) 5.712 7.593 ( -4.249 -3.735 9.671) 11.204 8.041 ( 4.695 3.351 -3.512) 6.754 8.085 ( 1.121 0.169 -4.710) 4.845 8.410 ( -3.379 -0.863 -1.429) 3.768 8.484 ( -2.070 1.564 0.186) 2.601 9.113 ( 9.111 0.541 2.652) 9.505 9.332 ( 5.283 -6.077 0.707) 8.083 9.679 ( -2.799 -5.258 -2.406) 6.424 9.987 ( -1.138 -13.493 -8.319) 15.892 10.513 ( -3.723 3.536 1.020) 5.235 10.835 ( -1.357 -10.838 -1.375) 11.009 15.896 ( -0.370 -0.625 3.356) 3.433 15.909 ( -1.016 -0.969 0.342) 1.445 16.501 ( -0.542 5.865 4.573) 7.457 16.514 ( -1.646 4.858 6.005) 7.897 17.170 ( 9.616 21.980 1.818) 24.060 17.782 ( 13.263 20.391 -4.791) 24.792 18.047 ( 1.536 -8.474 -8.556) 12.140 18.566 ( -0.884 -9.387 4.076) 10.272 18.584 ( -3.835 -1.636 16.702) 17.215 18.975 ( -3.335 -15.089 -4.523) 16.101 ======================= Grid point 90 (48/125) ======================= q-point: (-0.14 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -1.750 7.070 12.803) 14.730 1.184 ( 2.847 0.053 4.036) 4.940 1.248 ( 3.229 15.696 4.495) 16.644 1.618 ( 0.288 4.789 6.209) 7.846 1.736 ( 2.122 -4.208 -0.576) 4.748 1.915 ( 0.662 -8.007 3.562) 8.788 2.046 ( -2.456 2.710 -4.371) 5.699 2.156 ( -8.886 -1.146 0.339) 8.966 2.274 ( -3.145 1.933 1.053) 3.838 2.398 ( -6.634 -3.837 0.143) 7.665 2.718 ( -0.355 0.896 5.850) 5.929 2.901 ( -0.577 -6.446 4.604) 7.942 3.144 ( -4.031 6.573 8.541) 11.507 3.253 ( 2.827 3.135 1.087) 4.359 3.357 ( -3.134 -4.952 0.278) 5.867 3.574 ( -3.993 -6.720 2.415) 8.181 3.797 ( 0.602 4.687 -3.075) 5.638 3.971 ( 5.556 -2.587 -1.585) 6.330 4.080 ( 6.918 10.411 -0.138) 12.501 4.370 ( 1.455 5.799 1.509) 6.166 4.513 ( 0.502 -4.669 0.081) 4.697 4.652 ( 1.576 -0.078 0.469) 1.646 4.905 ( -8.687 8.277 -5.354) 13.139 5.152 ( 1.449 1.173 -9.001) 9.192 5.212 ( -2.092 -5.220 -5.115) 7.602 5.251 ( 0.545 -3.579 -6.891) 7.784 6.146 ( 1.617 15.230 -0.858) 15.339 6.329 ( 1.150 8.072 -1.341) 8.263 6.687 ( 4.170 12.845 -0.389) 13.511 6.991 ( -5.141 1.321 -3.035) 6.115 7.069 ( -2.833 6.535 3.376) 7.882 7.370 ( -0.397 -6.467 8.753) 10.890 7.452 ( -1.945 1.099 4.129) 4.694 7.557 ( -4.710 -6.294 10.354) 13.000 8.085 ( 2.630 3.299 -5.601) 7.012 8.138 ( 5.771 -0.402 -2.231) 6.200 8.345 ( -2.542 0.121 -1.057) 2.756 8.434 ( -2.917 1.592 -0.277) 3.334 9.317 ( 9.700 4.075 3.590) 11.118 9.434 ( 4.222 0.429 0.096) 4.244 9.571 ( -7.076 -0.736 -1.826) 7.345 9.962 ( 2.620 -14.783 -5.983) 16.161 10.444 ( -3.400 3.263 0.308) 4.723 10.790 ( -1.997 -11.500 -2.144) 11.867 15.874 ( -2.104 0.369 -0.091) 2.138 15.909 ( -0.289 -1.628 2.360) 2.882 16.524 ( -0.128 5.255 6.682) 8.502 16.531 ( 0.019 5.122 7.011) 8.682 17.336 ( 6.046 23.003 -0.571) 23.791 17.940 ( 4.511 11.479 -13.290) 18.132 18.127 ( 11.575 -8.726 -4.322) 15.126 18.530 ( -3.290 -12.351 1.008) 12.821 18.639 ( 0.022 -0.367 15.555) 15.559 18.851 ( -7.573 -8.645 -0.382) 11.499 ======================= Grid point 91 (49/125) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.039 -3.224 12.597) 13.003 1.233 ( 0.039 3.224 12.597) 13.003 1.612 ( -2.039 -11.900 1.202) 12.133 1.612 ( -2.039 11.900 1.202) 12.133 1.802 ( 0.082 -6.733 2.726) 7.264 1.802 ( 0.082 6.733 2.726) 7.264 1.982 ( 0.685 -4.560 -2.798) 5.394 1.982 ( 0.685 4.560 -2.798) 5.394 2.255 ( -1.558 -0.848 1.200) 2.141 2.255 ( -1.558 0.848 1.200) 2.141 2.776 ( 0.126 -4.199 3.930) 5.753 2.776 ( 0.126 4.199 3.930) 5.753 3.200 ( -3.240 -3.333 0.645) 4.693 3.200 ( -3.240 3.333 0.645) 4.693 3.388 ( -2.580 -7.823 3.052) 8.784 3.388 ( -2.580 7.823 3.052) 8.784 4.002 ( 6.872 -6.648 3.720) 10.259 4.002 ( 6.872 6.648 3.720) 10.259 4.318 ( -3.439 -8.259 -2.054) 9.179 4.318 ( -3.439 8.259 -2.054) 9.179 4.568 ( -2.754 -9.121 -3.459) 10.136 4.568 ( -2.754 9.121 -3.459) 10.136 4.995 ( 3.673 -8.575 -3.242) 9.876 4.995 ( 3.673 8.575 -3.242) 9.876 5.189 ( 2.263 -1.881 -7.623) 8.172 5.189 ( 2.263 1.881 -7.623) 8.172 6.381 ( 1.060 -4.245 -0.266) 4.384 6.381 ( 1.060 4.245 -0.266) 4.384 6.876 ( 0.128 -4.626 -2.528) 5.273 6.876 ( 0.128 4.626 -2.528) 5.273 7.227 ( -2.793 -9.681 9.796) 14.053 7.227 ( -2.793 9.681 9.796) 14.053 7.463 ( -1.305 -1.144 4.232) 4.574 7.463 ( -1.305 1.144 4.232) 4.574 8.171 ( 3.348 -2.282 -1.102) 4.198 8.171 ( 3.348 2.282 -1.102) 4.198 8.358 ( -1.646 -2.794 -2.352) 4.006 8.358 ( -1.646 2.794 -2.352) 4.006 9.458 ( -5.167 -1.514 -0.663) 5.425 9.458 ( -5.167 1.514 -0.663) 5.425 9.710 ( 6.480 -13.811 -0.246) 15.258 9.710 ( 6.480 13.811 -0.246) 15.258 10.533 ( -0.263 -9.647 -2.265) 9.913 10.533 ( -0.263 9.647 -2.265) 9.913 15.869 ( -0.964 -1.831 0.918) 2.264 15.869 ( -0.964 1.831 0.918) 2.264 16.620 ( -0.624 -0.577 9.795) 9.832 16.620 ( -0.624 0.577 9.795) 9.832 17.805 ( -0.896 -15.843 -5.305) 16.731 17.805 ( -0.896 15.843 -5.305) 16.731 18.251 ( 2.800 -3.276 -9.446) 10.382 18.251 ( 2.800 3.276 -9.446) 10.382 18.699 ( -3.194 -3.984 10.506) 11.681 18.699 ( -3.194 3.984 10.506) 11.681 ======================= Grid point 93 (50/125) ======================= q-point: ( 0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -2.132 -3.272 13.180) 13.746 1.283 ( -2.132 3.272 13.180) 13.746 1.495 ( -8.080 -12.463 0.578) 14.865 1.495 ( -8.080 12.463 0.578) 14.865 1.781 ( -1.799 -3.793 2.270) 4.773 1.781 ( -1.799 3.793 2.270) 4.773 2.068 ( 5.556 -4.458 -0.162) 7.125 2.068 ( 5.556 4.458 -0.162) 7.125 2.304 ( 5.829 -1.325 -1.436) 6.148 2.304 ( 5.829 1.325 -1.436) 6.148 2.814 ( 0.769 -4.341 6.564) 7.907 2.814 ( 0.769 4.341 6.564) 7.907 3.138 ( -1.507 -1.347 -3.612) 4.139 3.138 ( -1.507 1.347 -3.612) 4.139 3.381 ( 0.232 -10.136 5.123) 11.359 3.381 ( 0.232 10.136 5.123) 11.359 4.137 ( -3.264 -6.936 4.316) 8.797 4.137 ( -3.264 6.936 4.316) 8.797 4.194 ( -0.597 -8.249 -1.190) 8.356 4.194 ( -0.597 8.249 -1.190) 8.356 4.457 ( -4.962 -5.826 -4.586) 8.922 4.457 ( -4.962 5.826 -4.586) 8.922 5.105 ( 6.204 -1.344 -6.228) 8.893 5.105 ( 6.204 1.344 -6.228) 8.893 5.226 ( 6.288 -3.743 -4.747) 8.723 5.226 ( 6.288 3.743 -4.747) 8.723 6.399 ( 0.782 -3.348 0.297) 3.451 6.399 ( 0.782 3.348 0.297) 3.451 6.896 ( 3.327 -9.081 -2.889) 10.094 6.896 ( 3.327 9.081 -2.889) 10.094 7.208 ( -3.755 -10.750 8.504) 14.212 7.208 ( -3.755 10.750 8.504) 14.212 7.475 ( 0.263 -0.898 4.513) 4.609 7.475 ( 0.263 0.898 4.513) 4.609 8.215 ( -1.034 -0.506 2.412) 2.672 8.215 ( -1.034 0.506 2.412) 2.672 8.333 ( 2.533 -0.235 -4.927) 5.545 8.333 ( 2.533 0.235 -4.927) 5.545 9.295 ( -9.386 -5.862 -1.968) 11.240 9.295 ( -9.386 5.862 -1.968) 11.240 9.826 ( 3.966 -12.129 1.131) 12.811 9.826 ( 3.966 12.129 1.131) 12.811 10.546 ( 2.820 -9.304 -2.551) 10.051 10.546 ( 2.820 9.304 -2.551) 10.051 15.860 ( -0.405 -2.065 0.906) 2.291 15.860 ( -0.405 2.065 0.906) 2.291 16.648 ( -2.090 -0.851 10.705) 10.940 16.648 ( -2.090 0.851 10.705) 10.940 17.693 ( -6.546 -18.687 -7.035) 21.013 17.693 ( -6.546 18.687 -7.035) 21.013 18.272 ( 3.376 -10.114 -7.502) 13.037 18.272 ( 3.376 10.114 -7.502) 13.037 18.687 ( -3.039 -9.572 9.440) 13.783 18.687 ( -3.039 9.572 9.440) 13.783 ======================= Grid point 95 (51/125) ======================= q-point: ( 0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -6.073 -5.673 2.419) 8.656 1.243 ( -6.073 5.673 2.419) 8.656 1.401 ( -3.732 -7.596 10.707) 13.648 1.401 ( -3.732 7.596 10.707) 13.648 1.781 ( 0.011 -6.009 3.471) 6.939 1.781 ( 0.011 6.009 3.471) 6.939 2.137 ( 1.622 -2.182 -0.160) 2.724 2.137 ( 1.622 2.182 -0.160) 2.724 2.423 ( 6.843 -0.702 -3.816) 7.867 2.423 ( 6.843 0.702 -3.816) 7.867 2.857 ( -0.956 -5.362 9.864) 11.268 2.857 ( -0.956 5.362 9.864) 11.268 3.140 ( 3.748 -1.388 -3.295) 5.180 3.140 ( 3.748 1.388 -3.295) 5.180 3.455 ( 4.671 -11.526 4.827) 13.340 3.455 ( 4.671 11.526 4.827) 13.340 3.939 ( -10.224 -11.843 -4.117) 16.179 3.939 ( -10.224 11.843 -4.117) 16.179 4.205 ( -7.025 -5.931 5.355) 10.640 4.205 ( -7.025 5.931 5.355) 10.640 4.415 ( 4.101 -5.169 -2.981) 7.240 4.415 ( 4.101 5.169 -2.981) 7.240 5.143 ( 2.851 -2.338 -8.294) 9.077 5.143 ( 2.851 2.338 -8.294) 9.077 5.358 ( 7.198 -3.830 -3.237) 8.772 5.358 ( 7.198 3.830 -3.237) 8.772 6.413 ( 0.349 -4.615 0.102) 4.629 6.413 ( 0.349 4.615 0.102) 4.629 6.966 ( 5.067 -15.176 -3.646) 16.410 6.966 ( 5.067 15.176 -3.646) 16.410 7.175 ( -3.428 -10.028 6.786) 12.584 7.175 ( -3.428 10.028 6.786) 12.584 7.514 ( 0.784 -2.700 5.784) 6.432 7.514 ( 0.784 2.700 5.784) 6.432 8.149 ( -4.980 -2.183 0.690) 5.481 8.149 ( -4.980 2.183 0.690) 5.481 8.407 ( 5.540 -1.440 -2.656) 6.311 8.407 ( 5.540 1.440 -2.656) 6.311 9.110 ( -8.042 -7.800 -1.543) 11.309 9.110 ( -8.042 7.800 -1.543) 11.309 9.865 ( 0.183 -11.971 -0.851) 12.003 9.865 ( 0.183 11.971 -0.851) 12.003 10.605 ( 3.827 -7.898 -1.781) 8.955 10.605 ( 3.827 7.898 -1.781) 8.955 15.863 ( 0.161 -1.371 1.302) 1.898 15.863 ( 0.161 1.371 1.302) 1.898 16.643 ( -3.735 -1.032 9.776) 10.516 16.643 ( -3.735 1.032 9.776) 10.516 17.521 ( -6.703 -19.813 -5.572) 21.646 17.521 ( -6.703 19.813 -5.572) 21.646 18.299 ( 2.744 -13.012 -5.479) 14.382 18.299 ( 2.744 13.012 -5.479) 14.382 18.683 ( -1.975 -12.397 7.865) 14.813 18.683 ( -1.975 12.397 7.865) 14.813 ======================= Grid point 97 (52/125) ======================= q-point: ( 0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -2.805 -6.709 -1.465) 7.418 1.148 ( -2.805 6.709 -1.465) 7.418 1.398 ( -3.676 -4.263 12.810) 13.992 1.398 ( -3.676 4.263 12.810) 13.992 1.789 ( -1.526 -8.223 2.751) 8.804 1.789 ( -1.526 8.223 2.751) 8.804 2.172 ( 2.489 -3.746 2.972) 5.391 2.172 ( 2.489 3.746 2.972) 5.391 2.504 ( 3.457 -2.017 -5.237) 6.592 2.504 ( 3.457 2.017 -5.237) 6.592 2.871 ( -3.163 -6.306 10.968) 13.041 2.871 ( -3.163 6.306 10.968) 13.041 3.220 ( 4.694 -2.382 -1.832) 5.573 3.220 ( 4.694 2.382 -1.832) 5.573 3.575 ( 2.227 -6.601 3.825) 7.947 3.575 ( 2.227 6.601 3.825) 7.947 3.767 ( -2.521 -15.883 -2.863) 16.335 3.767 ( -2.521 15.883 -2.863) 16.335 4.055 ( -7.798 -5.926 0.231) 9.797 4.055 ( -7.798 5.926 0.231) 9.797 4.495 ( 3.307 -4.974 1.253) 6.103 4.495 ( 3.307 4.974 1.253) 6.103 5.154 ( 2.669 -2.783 -7.714) 8.624 5.154 ( 2.669 2.783 -7.714) 8.624 5.436 ( 2.461 -1.972 -3.993) 5.088 5.436 ( 2.461 1.972 -3.993) 5.088 6.409 ( -0.608 -6.256 -1.020) 6.367 6.409 ( -0.608 6.256 -1.020) 6.367 7.034 ( 3.558 -20.493 -4.722) 21.328 7.034 ( 3.558 20.493 -4.722) 21.328 7.149 ( -2.458 -7.391 6.279) 10.005 7.149 ( -2.458 7.391 6.279) 10.005 7.553 ( -0.510 -4.158 6.997) 8.155 7.553 ( -0.510 4.158 6.997) 8.155 8.066 ( -2.894 -2.621 -0.826) 3.990 8.066 ( -2.894 2.621 -0.826) 3.990 8.486 ( 3.036 -0.848 -1.003) 3.308 8.486 ( 3.036 0.848 -1.003) 3.308 8.996 ( -2.353 -9.106 -0.664) 9.429 8.996 ( -2.353 9.106 -0.664) 9.429 9.839 ( -1.272 -11.955 -3.657) 12.566 9.839 ( -1.272 11.955 -3.657) 12.566 10.659 ( 2.158 -7.096 -0.808) 7.461 10.659 ( 2.158 7.096 -0.808) 7.461 15.877 ( 0.334 -0.591 1.813) 1.936 15.877 ( 0.334 0.591 1.813) 1.936 16.609 ( -4.072 -1.095 7.765) 8.836 16.609 ( -4.072 1.095 7.765) 8.836 17.415 ( -1.379 -20.131 -2.585) 20.343 17.415 ( -1.379 20.131 -2.585) 20.343 18.322 ( 2.117 -14.198 -4.265) 14.975 18.322 ( 2.117 14.198 -4.265) 14.975 18.684 ( -1.847 -13.405 6.819) 15.152 18.684 ( -1.847 13.405 6.819) 15.152 ======================= Grid point 99 (53/125) ======================= q-point: (-0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.489 -3.787 -0.995) 3.946 1.124 ( 0.489 3.787 -0.995) 3.946 1.386 ( -2.860 -6.714 10.221) 12.559 1.386 ( -2.860 6.714 10.221) 12.559 1.755 ( -2.786 -8.099 3.107) 9.111 1.755 ( -2.786 8.099 3.107) 9.111 2.260 ( 2.982 -4.857 5.820) 8.145 2.260 ( 2.982 4.857 5.820) 8.145 2.494 ( -1.354 -3.687 -6.910) 7.948 2.494 ( -1.354 3.687 -6.910) 7.948 2.844 ( -5.068 -6.750 10.530) 13.496 2.844 ( -5.068 6.750 10.530) 13.496 3.271 ( 0.821 -3.140 0.346) 3.263 3.271 ( 0.821 3.140 0.346) 3.263 3.512 ( -5.896 -10.766 1.451) 12.361 3.512 ( -5.896 10.766 1.451) 12.361 3.852 ( 5.208 -9.293 0.066) 10.653 3.852 ( 5.208 9.293 0.066) 10.653 3.968 ( 2.137 -1.548 -2.183) 3.425 3.968 ( 2.137 1.548 -2.183) 3.425 4.546 ( 0.900 -5.894 3.003) 6.676 4.546 ( 0.900 5.894 3.003) 6.676 5.168 ( 2.555 -2.596 -7.069) 7.952 5.168 ( 2.555 2.596 -7.069) 7.952 5.408 ( -2.922 -2.535 -5.573) 6.785 5.408 ( -2.922 2.535 -5.573) 6.785 6.382 ( -1.026 -6.523 -1.983) 6.895 6.382 ( -1.026 6.523 -1.983) 6.895 7.037 ( -0.592 -20.802 -4.925) 21.385 7.037 ( -0.592 20.802 -4.925) 21.385 7.154 ( -0.579 -6.422 6.826) 9.390 7.154 ( -0.579 6.422 6.826) 9.390 7.554 ( -3.163 -3.962 7.574) 9.114 7.554 ( -3.163 3.962 7.574) 9.114 8.044 ( 1.329 -2.468 -2.223) 3.577 8.044 ( 1.329 2.468 -2.223) 3.577 8.500 ( -1.223 -1.976 -0.419) 2.361 8.500 ( -1.223 1.976 -0.419) 2.361 9.029 ( 5.553 -8.821 0.953) 10.467 9.029 ( 5.553 8.821 0.953) 10.467 9.791 ( -1.113 -10.762 -5.812) 12.281 9.791 ( -1.113 10.762 -5.812) 12.281 10.672 ( -0.605 -7.424 -0.340) 7.456 10.672 ( -0.605 7.424 -0.340) 7.456 15.891 ( -0.025 -0.745 2.073) 2.203 15.891 ( -0.025 0.745 2.073) 2.203 16.575 ( -2.968 -0.740 6.344) 7.043 16.575 ( -2.968 0.740 6.344) 7.043 17.452 ( 5.787 -20.309 -0.793) 21.133 17.452 ( 5.787 20.309 -0.793) 21.133 18.332 ( 1.085 -15.844 -4.735) 16.572 18.332 ( 1.085 15.844 -4.735) 16.572 18.680 ( -2.121 -13.178 7.402) 15.262 18.680 ( -2.121 13.178 7.402) 15.262 ======================= Grid point 101 (54/125) ======================= q-point: (-0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -0.038 -1.765 3.602) 4.012 1.136 ( -0.038 1.765 3.602) 4.012 1.426 ( 3.161 -11.471 5.677) 13.184 1.426 ( 3.161 11.471 5.677) 13.184 1.731 ( -1.380 -7.420 4.334) 8.703 1.731 ( -1.380 7.420 4.334) 8.703 2.275 ( -5.387 -2.668 1.626) 6.227 2.275 ( -5.387 2.668 1.626) 6.227 2.407 ( -3.149 -4.651 -3.964) 6.875 2.407 ( -3.149 4.651 -3.964) 6.875 2.800 ( -4.037 -5.853 8.275) 10.910 2.800 ( -4.037 5.853 8.275) 10.910 3.271 ( -1.437 -2.544 2.957) 4.157 3.271 ( -1.437 2.544 2.957) 4.157 3.430 ( -3.412 -11.745 4.031) 12.878 3.430 ( -3.412 11.745 4.031) 12.878 3.874 ( 1.535 -2.178 -5.979) 6.546 3.874 ( 1.535 2.178 -5.979) 6.546 4.122 ( 9.932 -10.925 0.981) 14.798 4.122 ( 9.932 10.925 0.981) 14.798 4.567 ( -0.330 -6.405 3.462) 7.288 4.567 ( -0.330 6.405 3.462) 7.288 5.177 ( 1.709 -1.804 -6.776) 7.217 5.177 ( 1.709 1.804 -6.776) 7.217 5.274 ( -6.859 -4.716 -7.330) 11.091 5.274 ( -6.859 4.716 -7.330) 11.091 6.360 ( -0.039 -5.676 -1.860) 5.973 6.360 ( -0.039 5.676 -1.860) 5.973 6.980 ( -2.559 -15.203 -3.912) 15.906 6.980 ( -2.559 15.203 -3.912) 15.906 7.184 ( -0.375 -6.871 8.007) 10.558 7.184 ( -0.375 6.871 8.007) 10.558 7.518 ( -3.983 -2.977 7.067) 8.641 7.518 ( -3.983 2.977 7.067) 8.641 8.078 ( 3.157 -1.261 -3.318) 4.750 8.078 ( 3.157 1.261 -3.318) 4.750 8.453 ( -2.757 -3.754 -0.575) 4.694 8.453 ( -2.757 3.754 -0.575) 4.694 9.197 ( 9.969 -6.633 2.793) 12.296 9.197 ( 9.969 6.633 2.793) 12.296 9.738 ( -1.104 -9.520 -6.634) 11.655 9.738 ( -1.104 9.520 -6.634) 11.655 10.636 ( -2.720 -8.357 -0.541) 8.806 10.636 ( -2.720 8.357 -0.541) 8.806 15.894 ( -0.676 -0.384 1.885) 2.039 15.894 ( -0.676 0.384 1.885) 2.039 16.564 ( -1.448 -0.229 6.380) 6.547 16.564 ( -1.448 0.229 6.380) 6.547 17.606 ( 9.575 -20.338 -1.110) 22.506 17.606 ( 9.575 20.338 -1.110) 22.506 18.312 ( -0.059 -16.946 -6.959) 18.319 18.312 ( -0.059 16.946 -6.959) 18.319 18.683 ( -1.906 -10.883 9.359) 14.480 18.683 ( -1.906 10.883 9.359) 14.480 ======================= Grid point 103 (55/125) ======================= q-point: (-0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.338 -1.746 9.012) 9.186 1.170 ( 0.338 1.746 9.012) 9.186 1.547 ( 5.935 -12.523 2.514) 14.085 1.547 ( 5.935 12.523 2.514) 14.085 1.751 ( 1.251 -7.362 4.482) 8.710 1.751 ( 1.251 7.362 4.482) 8.710 2.106 ( -8.800 -3.322 -4.096) 10.259 2.106 ( -8.800 3.322 -4.096) 10.259 2.327 ( -5.045 -3.160 1.408) 6.118 2.327 ( -5.045 3.160 1.408) 6.118 2.773 ( -2.034 -4.743 4.765) 7.024 2.773 ( -2.034 4.743 4.765) 7.024 3.247 ( -2.862 -3.258 4.005) 5.904 3.247 ( -2.862 3.258 4.005) 5.904 3.414 ( -1.326 -8.438 3.593) 9.267 3.414 ( -1.326 8.438 3.593) 9.267 3.894 ( 3.632 -4.600 -3.004) 6.586 3.894 ( 3.632 4.600 -3.004) 6.586 4.295 ( 6.180 -9.700 0.280) 11.505 4.295 ( 6.180 9.700 0.280) 11.505 4.578 ( 0.593 -6.507 0.968) 6.605 4.578 ( 0.593 6.507 0.968) 6.605 5.072 ( -7.275 -7.964 -6.201) 12.442 5.072 ( -7.275 7.964 -6.201) 12.442 5.190 ( 1.709 -2.490 -7.632) 8.208 5.190 ( 1.709 2.490 -7.632) 8.208 6.363 ( 1.001 -5.044 -1.075) 5.254 6.363 ( 1.001 5.044 -1.075) 5.254 6.913 ( -2.242 -8.406 -2.914) 9.174 6.913 ( -2.242 8.406 -2.914) 9.174 7.215 ( -1.174 -7.718 9.441) 12.251 7.215 ( -1.174 7.718 9.441) 12.251 7.481 ( -3.011 -2.112 5.599) 6.699 7.481 ( -3.011 2.112 5.599) 6.699 8.121 ( 3.015 -1.419 -3.223) 4.636 8.121 ( 3.015 1.419 -3.223) 4.636 8.401 ( -2.051 -3.943 -1.014) 4.558 8.401 ( -2.051 3.943 -1.014) 4.558 9.408 ( 8.550 -3.671 3.797) 10.049 9.408 ( 8.550 3.671 3.797) 10.049 9.679 ( -1.185 -11.530 -6.058) 13.079 9.679 ( -1.185 11.530 -6.058) 13.079 10.574 ( -2.706 -9.173 -1.317) 9.654 10.574 ( -2.706 9.173 -1.317) 9.654 15.885 ( -1.106 -0.811 1.356) 1.929 15.885 ( -1.106 0.811 1.356) 1.929 16.583 ( -0.400 -0.263 7.870) 7.884 16.583 ( -0.400 0.263 7.870) 7.884 17.766 ( 6.741 -18.690 -2.761) 20.060 17.766 ( 6.741 18.690 -2.761) 20.060 18.269 ( 0.410 -13.351 -9.283) 16.266 18.269 ( 0.410 13.351 -9.283) 16.266 18.697 ( -2.149 -5.780 10.663) 12.318 18.697 ( -2.149 5.780 10.663) 12.318 ======================= Grid point 126 (56/125) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 1.380 0.000 17.752) 17.805 0.717 ( 6.354 0.000 16.932) 18.085 1.302 ( -2.592 0.000 20.865) 21.026 1.473 ( 5.277 0.000 5.150) 7.374 1.645 ( 1.183 0.000 -11.400) 11.461 1.749 ( -1.792 0.000 8.603) 8.788 2.121 ( -2.804 0.000 4.751) 5.517 2.159 ( -6.964 0.000 5.020) 8.585 2.455 ( 0.457 0.000 -3.473) 3.503 2.515 ( 0.384 0.000 -4.750) 4.766 2.688 ( 2.438 0.000 -1.028) 2.646 3.024 ( -9.551 0.000 16.552) 19.110 3.212 ( -13.557 0.000 -8.270) 15.880 3.488 ( 0.532 0.000 -2.617) 2.671 3.500 ( 6.276 0.000 -1.741) 6.513 3.684 ( 5.148 0.000 -0.420) 5.165 3.706 ( 4.005 0.000 -1.279) 4.204 3.811 ( -2.049 0.000 10.020) 10.227 4.010 ( 1.840 0.000 2.941) 3.469 4.200 ( -2.606 0.000 -6.689) 7.178 4.339 ( -3.443 0.000 0.222) 3.450 4.498 ( 0.211 0.000 13.015) 13.017 4.792 ( 2.854 0.000 -1.303) 3.137 4.962 ( 5.542 0.000 -14.827) 15.829 5.147 ( 0.735 0.000 -1.271) 1.468 5.270 ( 2.092 0.000 -9.359) 9.590 5.393 ( 2.180 0.000 -2.001) 2.959 5.511 ( -0.288 0.000 0.013) 0.288 6.091 ( -3.475 0.000 0.686) 3.542 6.251 ( 2.682 0.000 -3.150) 4.137 6.913 ( -3.268 0.000 11.025) 11.500 7.338 ( -0.817 0.000 -0.701) 1.076 7.631 ( -0.155 0.000 7.331) 7.332 7.795 ( 5.318 0.000 -7.140) 8.903 8.099 ( -2.689 0.000 0.291) 2.705 8.123 ( -13.748 0.000 2.848) 14.040 8.366 ( 5.718 0.000 -1.916) 6.031 8.826 ( -10.434 0.000 0.003) 10.434 9.320 ( 2.410 0.000 -1.325) 2.751 9.472 ( 12.976 0.000 0.385) 12.981 9.780 ( 13.540 0.000 13.740) 19.290 10.492 ( -4.911 0.000 -0.370) 4.925 10.566 ( 7.648 0.000 -2.668) 8.100 11.112 ( -4.324 0.000 -3.949) 5.856 15.509 ( 0.105 0.000 4.157) 4.158 15.951 ( -0.974 0.000 -6.053) 6.131 16.298 ( 1.330 0.000 1.431) 1.954 16.319 ( 0.425 0.000 8.749) 8.760 16.415 ( -0.544 0.000 0.524) 0.756 17.190 ( -13.952 0.000 8.142) 16.154 18.085 ( -6.563 0.000 -5.509) 8.569 18.739 ( 5.669 0.000 -7.894) 9.719 19.102 ( -0.939 0.000 10.096) 10.139 19.452 ( 2.907 0.000 2.475) 3.818 ======================= Grid point 127 (57/125) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 10.326 0.000 14.724) 17.984 0.958 ( 9.957 0.000 11.009) 14.844 1.398 ( 3.178 0.000 10.801) 11.259 1.579 ( -0.605 0.000 12.862) 12.876 1.629 ( 3.131 0.000 -12.297) 12.689 1.791 ( 3.372 0.000 4.757) 5.831 2.064 ( -5.447 0.000 7.370) 9.165 2.071 ( -5.092 0.000 5.204) 7.281 2.405 ( -4.611 0.000 -2.638) 5.312 2.444 ( -8.444 0.000 -3.342) 9.082 2.580 ( -7.198 0.000 -3.020) 7.806 2.973 ( -2.775 0.000 16.040) 16.279 3.078 ( -2.538 0.000 -0.387) 2.567 3.388 ( -2.363 0.000 -4.725) 5.283 3.519 ( 2.877 0.000 -0.771) 2.978 3.725 ( -1.892 0.000 -1.541) 2.440 3.850 ( 2.259 0.000 9.618) 9.880 4.022 ( 18.703 0.000 -2.355) 18.850 4.056 ( 0.358 0.000 5.284) 5.296 4.129 ( 0.674 0.000 -9.816) 9.839 4.259 ( -5.093 0.000 1.793) 5.399 4.540 ( -2.441 0.000 11.914) 12.162 4.858 ( 4.286 0.000 -5.489) 6.964 4.986 ( 4.535 0.000 -15.658) 16.302 5.124 ( -1.546 0.000 -3.699) 4.009 5.268 ( 2.291 0.000 -8.693) 8.989 5.383 ( -2.739 0.000 -1.635) 3.191 5.550 ( 4.200 0.000 0.453) 4.224 5.966 ( -7.728 0.000 0.183) 7.731 6.320 ( 4.281 0.000 -2.351) 4.884 6.894 ( -4.170 0.000 10.543) 11.337 7.328 ( 0.251 0.000 -1.114) 1.142 7.675 ( 0.575 0.000 7.236) 7.259 7.855 ( 4.205 0.000 -7.637) 8.718 7.859 ( -13.498 0.000 7.504) 15.443 8.058 ( -1.664 0.000 1.882) 2.513 8.366 ( -2.972 0.000 0.298) 2.987 8.815 ( 4.109 0.000 2.233) 4.677 9.279 ( -2.201 0.000 -0.502) 2.258 9.587 ( 1.146 0.000 -1.031) 1.541 10.250 ( 19.534 0.000 -5.368) 20.258 10.412 ( 0.221 0.000 -5.612) 5.616 10.727 ( 10.541 0.000 0.387) 10.548 11.038 ( -1.147 0.000 -4.037) 4.197 15.557 ( 2.406 0.000 4.296) 4.924 15.917 ( 0.569 0.000 -5.311) 5.341 16.292 ( -2.295 0.000 0.010) 2.295 16.306 ( -6.255 0.000 8.688) 10.706 16.404 ( -0.857 0.000 1.100) 1.395 16.887 ( -18.791 0.000 17.018) 25.352 18.021 ( 0.938 0.000 -2.300) 2.484 18.819 ( 4.604 0.000 -3.450) 5.753 19.147 ( 1.980 0.000 3.599) 4.108 19.491 ( -0.437 0.000 1.231) 1.307 ======================= Grid point 128 (58/125) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 8.329 0.000 4.787) 9.606 1.187 ( 13.496 0.000 10.776) 17.270 1.497 ( 1.596 0.000 5.833) 6.047 1.586 ( -4.308 0.000 12.616) 13.331 1.632 ( 2.637 0.000 -10.401) 10.731 1.880 ( 1.015 0.000 4.417) 4.532 1.948 ( -10.841 0.000 2.697) 11.171 2.020 ( -4.078 0.000 10.335) 11.110 2.196 ( -10.293 0.000 3.118) 10.755 2.319 ( -0.082 0.000 -0.771) 0.775 2.539 ( 1.651 0.000 -3.570) 3.933 2.918 ( -10.140 0.000 -5.077) 11.341 3.053 ( 0.914 0.000 16.140) 16.165 3.494 ( 10.437 0.000 1.730) 10.579 3.557 ( 0.232 0.000 -3.459) 3.467 3.655 ( -2.976 0.000 2.734) 4.041 3.952 ( 1.896 0.000 8.827) 9.029 4.048 ( -0.571 0.000 -1.092) 1.232 4.142 ( -1.727 0.000 -2.064) 2.691 4.190 ( 2.301 0.000 -1.002) 2.510 4.314 ( 12.027 0.000 -3.530) 12.535 4.524 ( -4.767 0.000 9.725) 10.830 4.879 ( 1.306 0.000 -7.670) 7.780 4.977 ( 2.780 0.000 -14.750) 15.009 5.064 ( -2.172 0.000 -4.693) 5.171 5.274 ( 2.965 0.000 -8.250) 8.766 5.303 ( -3.776 0.000 -0.748) 3.849 5.630 ( 3.274 0.000 -1.585) 3.638 5.831 ( -5.692 0.000 1.017) 5.782 6.377 ( 2.718 0.000 -1.877) 3.303 6.867 ( -3.700 0.000 9.706) 10.387 7.332 ( 0.866 0.000 -2.100) 2.271 7.649 ( -7.235 0.000 6.119) 9.476 7.768 ( -0.042 0.000 7.930) 7.930 7.864 ( 0.091 0.000 -5.274) 5.275 8.068 ( 1.741 0.000 1.463) 2.274 8.312 ( -3.216 0.000 0.016) 3.216 8.793 ( -6.438 0.000 -1.331) 6.575 9.293 ( 1.576 0.000 3.174) 3.543 9.586 ( 0.602 0.000 -1.614) 1.723 10.368 ( 4.323 0.000 -6.530) 7.832 10.508 ( 8.271 0.000 -10.569) 13.421 10.930 ( 5.026 0.000 5.952) 7.790 11.026 ( 4.632 0.000 -9.887) 10.918 15.634 ( 2.971 0.000 4.067) 5.037 15.916 ( 1.677 0.000 -4.299) 4.615 16.209 ( -7.234 0.000 9.124) 11.644 16.232 ( -2.896 0.000 -0.571) 2.952 16.384 ( -1.915 0.000 0.954) 2.139 16.679 ( -12.344 0.000 17.960) 21.794 18.075 ( 4.395 0.000 1.379) 4.606 18.878 ( 2.095 0.000 1.833) 2.784 19.210 ( 3.910 0.000 -2.672) 4.736 19.455 ( -3.667 0.000 2.452) 4.411 ======================= Grid point 129 (59/125) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -1.055 0.000 -0.639) 1.233 1.479 ( 5.765 0.000 5.526) 7.986 1.491 ( -6.906 0.000 -3.158) 7.594 1.529 ( -4.949 0.000 18.476) 19.127 1.548 ( -5.424 0.000 -1.510) 5.630 1.813 ( 2.299 0.000 -1.059) 2.531 1.867 ( -4.043 0.000 10.648) 11.390 2.061 ( 3.424 0.000 7.640) 8.372 2.125 ( -1.280 0.000 8.022) 8.123 2.397 ( 5.671 0.000 0.734) 5.718 2.530 ( -2.428 0.000 -5.967) 6.442 2.738 ( -2.505 0.000 -7.524) 7.930 3.126 ( -2.619 0.000 17.511) 17.705 3.487 ( -2.444 0.000 -5.355) 5.887 3.667 ( 0.450 0.000 4.007) 4.032 3.715 ( 9.604 0.000 4.644) 10.668 3.947 ( -4.180 0.000 2.047) 4.654 4.049 ( -6.043 0.000 3.417) 6.943 4.096 ( 3.834 0.000 2.281) 4.461 4.302 ( 8.095 0.000 -3.855) 8.966 4.413 ( -3.073 0.000 4.874) 5.762 4.472 ( -2.095 0.000 -1.271) 2.451 4.835 ( -0.511 0.000 -11.597) 11.608 4.965 ( 2.889 0.000 -10.150) 10.553 5.004 ( -0.767 0.000 -5.027) 5.085 5.263 ( -0.100 0.000 0.941) 0.946 5.299 ( 3.889 0.000 -8.663) 9.496 5.631 ( -1.498 0.000 -3.606) 3.905 5.786 ( 0.212 0.000 1.517) 1.531 6.407 ( 1.281 0.000 -1.511) 1.981 6.853 ( -2.650 0.000 9.174) 9.549 7.339 ( 1.341 0.000 -3.320) 3.581 7.572 ( -3.180 0.000 6.274) 7.034 7.805 ( -1.608 0.000 9.290) 9.429 7.822 ( -2.050 0.000 -2.276) 3.063 8.120 ( 2.648 0.000 0.151) 2.652 8.204 ( -6.501 0.000 -6.013) 8.855 8.677 ( -3.012 0.000 0.532) 3.058 9.298 ( -1.764 0.000 0.943) 2.001 9.611 ( 1.845 0.000 -0.682) 1.967 10.417 ( 2.672 0.000 -6.021) 6.588 10.592 ( 5.585 0.000 -7.101) 9.034 10.945 ( -2.595 0.000 -0.637) 2.672 11.118 ( 6.548 0.000 -5.254) 8.395 15.687 ( -0.365 0.000 3.673) 3.691 15.937 ( 2.843 0.000 -3.719) 4.681 16.134 ( -4.955 0.000 8.538) 9.872 16.203 ( 0.447 0.000 -0.139) 0.468 16.338 ( -2.969 0.000 0.373) 2.992 16.585 ( -6.084 0.000 15.822) 16.952 18.183 ( 4.478 0.000 5.187) 6.853 18.924 ( 0.950 0.000 4.890) 4.982 19.245 ( 1.611 0.000 -8.507) 8.658 19.404 ( -2.618 0.000 5.291) 5.904 ======================= Grid point 130 (60/125) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -16.448 0.000 1.423) 16.509 1.222 ( -17.431 0.000 3.378) 17.755 1.369 ( -3.388 0.000 -1.011) 3.535 1.531 ( -6.084 0.000 17.431) 18.463 1.704 ( 6.661 0.000 -1.040) 6.742 1.829 ( -6.183 0.000 12.717) 14.141 1.962 ( 8.451 0.000 3.377) 9.101 2.187 ( 5.010 0.000 4.709) 6.876 2.226 ( 8.433 0.000 8.185) 11.752 2.403 ( -3.960 0.000 -8.648) 9.511 2.481 ( 2.419 0.000 -0.710) 2.521 2.737 ( 4.166 0.000 -7.775) 8.821 3.135 ( -5.468 0.000 18.829) 19.607 3.456 ( 2.109 0.000 -5.178) 5.591 3.689 ( -0.222 0.000 4.063) 4.069 3.851 ( -6.115 0.000 0.942) 6.188 3.881 ( 4.529 0.000 3.192) 5.541 3.960 ( -4.572 0.000 3.700) 5.882 4.179 ( 3.043 0.000 3.006) 4.278 4.319 ( -8.578 0.000 5.089) 9.974 4.374 ( -6.558 0.000 -0.678) 6.593 4.433 ( 6.181 0.000 -2.387) 6.626 4.760 ( 0.501 0.000 -15.437) 15.446 4.983 ( 3.232 0.000 -7.776) 8.420 5.005 ( 3.131 0.000 -4.152) 5.200 5.296 ( 2.473 0.000 0.586) 2.542 5.326 ( 3.343 0.000 -9.866) 10.417 5.574 ( -2.266 0.000 -2.417) 3.313 5.825 ( 3.240 0.000 0.249) 3.249 6.409 ( -0.366 0.000 -1.490) 1.534 6.858 ( -1.648 0.000 9.277) 9.422 7.352 ( 1.822 0.000 -3.749) 4.168 7.599 ( 1.331 0.000 9.036) 9.134 7.769 ( -2.203 0.000 -1.427) 2.624 7.798 ( -2.651 0.000 9.891) 10.240 8.067 ( -2.344 0.000 -6.145) 6.577 8.161 ( 1.530 0.000 -0.468) 1.600 8.658 ( -0.850 0.000 -0.981) 1.297 9.288 ( 1.182 0.000 1.394) 1.828 9.621 ( -0.697 0.000 -0.659) 0.959 10.400 ( -0.612 0.000 -5.653) 5.686 10.641 ( 1.229 0.000 -1.561) 1.987 10.814 ( -8.953 0.000 -12.040) 15.004 11.214 ( 4.755 0.000 -1.099) 4.880 15.650 ( -4.600 0.000 3.065) 5.528 15.997 ( 4.809 0.000 -3.445) 5.915 16.113 ( -1.466 0.000 8.089) 8.220 16.219 ( -0.573 0.000 -0.696) 0.901 16.301 ( 0.446 0.000 1.248) 1.326 16.612 ( 1.032 0.000 16.405) 16.438 18.283 ( 2.353 0.000 6.455) 6.870 18.962 ( 0.291 0.000 4.278) 4.288 19.181 ( -3.213 0.000 -7.135) 7.825 19.405 ( -0.394 0.000 2.685) 2.714 ======================= Grid point 131 (61/125) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -16.074 0.000 8.579) 18.220 0.913 ( -16.743 0.000 7.870) 18.501 1.326 ( -1.104 0.000 1.899) 2.197 1.443 ( -11.680 0.000 18.293) 21.704 1.755 ( 0.310 0.000 -4.841) 4.851 1.779 ( -5.384 0.000 13.311) 14.359 2.089 ( 2.629 0.000 5.022) 5.668 2.268 ( 1.098 0.000 2.619) 2.840 2.352 ( 4.445 0.000 -8.023) 9.172 2.489 ( -0.188 0.000 -3.009) 3.015 2.509 ( 12.563 0.000 3.955) 13.171 2.813 ( 9.694 0.000 -6.017) 11.409 3.123 ( -5.731 0.000 19.662) 20.480 3.499 ( 3.977 0.000 -2.760) 4.841 3.666 ( -4.071 0.000 -3.675) 5.485 3.771 ( -3.086 0.000 10.421) 10.868 3.869 ( -6.892 0.000 -4.305) 8.126 3.922 ( -0.453 0.000 1.746) 1.804 4.102 ( -12.045 0.000 -2.631) 12.328 4.239 ( 1.610 0.000 2.632) 3.085 4.330 ( -1.483 0.000 13.175) 13.258 4.475 ( -1.188 0.000 -2.479) 2.749 4.735 ( 5.518 0.000 -15.316) 16.280 4.989 ( 1.131 0.000 -8.291) 8.368 5.062 ( 3.809 0.000 -2.303) 4.451 5.320 ( 1.490 0.000 -10.816) 10.918 5.342 ( 2.193 0.000 -1.775) 2.821 5.530 ( -1.287 0.000 -0.428) 1.356 5.916 ( 5.949 0.000 -0.151) 5.951 6.374 ( -2.467 0.000 -1.768) 3.035 6.881 ( -1.180 0.000 9.911) 9.981 7.366 ( 1.116 0.000 -2.666) 2.890 7.626 ( -3.161 0.000 7.993) 8.595 7.731 ( -0.247 0.000 -2.957) 2.968 7.934 ( 11.363 0.000 7.189) 13.447 8.096 ( 7.526 0.000 6.011) 9.632 8.171 ( -0.235 0.000 -0.744) 0.780 8.588 ( -5.314 0.000 -3.099) 6.152 9.354 ( 3.270 0.000 3.036) 4.462 9.589 ( -1.904 0.000 -0.140) 1.910 10.365 ( -4.155 0.000 -6.194) 7.458 10.424 ( -17.493 0.000 -19.792) 26.414 10.636 ( -3.014 0.000 3.827) 4.871 11.266 ( 0.760 0.000 -1.772) 1.928 15.570 ( -4.703 0.000 3.154) 5.663 16.053 ( 1.869 0.000 -5.480) 5.790 16.152 ( 1.096 0.000 7.879) 7.955 16.191 ( -0.016 0.000 1.002) 1.002 16.356 ( 2.968 0.000 1.443) 3.301 16.817 ( 10.939 0.000 18.490) 21.484 18.332 ( -0.240 0.000 3.875) 3.882 18.943 ( -2.643 0.000 -10.861) 11.178 19.087 ( -4.693 0.000 6.878) 8.326 19.397 ( -1.191 0.000 1.171) 1.670 ======================= Grid point 132 (62/125) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -6.415 0.000 17.685) 18.812 0.688 ( -10.963 0.000 14.431) 18.123 1.312 ( -10.226 0.000 25.562) 27.532 1.368 ( 3.506 0.000 -0.900) 3.619 1.700 ( -1.234 0.000 -8.947) 9.032 1.753 ( -3.889 0.000 11.811) 12.435 2.131 ( -0.623 0.000 5.006) 5.044 2.253 ( -4.068 0.000 3.109) 5.120 2.457 ( 7.862 0.000 -5.213) 9.433 2.465 ( -0.092 0.000 -3.673) 3.675 2.633 ( 2.756 0.000 -3.365) 4.349 3.102 ( -6.945 0.000 18.335) 19.606 3.131 ( 21.641 0.000 -0.320) 21.643 3.539 ( -3.463 0.000 -2.009) 4.004 3.584 ( -16.514 0.000 -9.759) 19.182 3.588 ( 4.255 0.000 -2.836) 5.114 3.791 ( -1.733 0.000 11.852) 11.978 3.873 ( -11.466 0.000 0.162) 11.467 3.955 ( 2.532 0.000 0.970) 2.712 4.259 ( -0.742 0.000 -0.240) 0.780 4.402 ( -2.999 0.000 -3.989) 4.991 4.409 ( 1.483 0.000 13.758) 13.838 4.774 ( 2.789 0.000 -6.729) 7.284 4.952 ( 1.403 0.000 -10.970) 11.060 5.116 ( 2.454 0.000 -0.451) 2.496 5.288 ( 1.188 0.000 -10.327) 10.395 5.365 ( 1.848 0.000 -3.239) 3.729 5.519 ( -0.291 0.000 0.443) 0.530 6.040 ( 6.169 0.000 0.058) 6.169 6.298 ( -3.938 0.000 -2.362) 4.592 6.906 ( -1.778 0.000 10.680) 10.827 7.360 ( -0.733 0.000 -1.056) 1.286 7.612 ( -1.857 0.000 7.437) 7.666 7.739 ( 3.338 0.000 -5.584) 6.506 8.139 ( 9.668 0.000 -2.743) 10.049 8.146 ( -1.852 0.000 -0.596) 1.945 8.386 ( -2.769 0.000 -2.604) 3.801 8.585 ( 21.615 0.000 18.122) 28.207 9.403 ( 0.123 0.000 2.222) 2.226 9.504 ( -12.663 0.000 -7.620) 14.779 9.778 ( -22.679 0.000 -0.520) 22.685 10.441 ( 6.375 0.000 -3.521) 7.283 10.580 ( -4.475 0.000 2.609) 5.180 11.220 ( -3.862 0.000 -3.396) 5.143 15.514 ( -2.631 0.000 3.679) 4.523 16.011 ( -1.727 0.000 -6.344) 6.575 16.233 ( 2.786 0.000 8.553) 8.995 16.241 ( 3.098 0.000 1.891) 3.630 16.406 ( 1.304 0.000 0.844) 1.553 17.152 ( 11.259 0.000 12.524) 16.841 18.283 ( -6.190 0.000 -4.775) 7.817 18.767 ( -4.473 0.000 -14.450) 15.126 19.078 ( -2.829 0.000 13.891) 14.176 19.395 ( 0.692 0.000 2.669) 2.757 ======================= Grid point 133 (63/125) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 1.381 10.218 13.291) 16.821 0.968 ( 1.910 18.406 12.724) 22.457 1.340 ( 0.344 2.956 8.138) 8.665 1.514 ( 4.671 5.999 12.650) 14.759 1.661 ( -0.644 1.500 -3.799) 4.135 1.764 ( -1.631 1.528 4.633) 5.144 2.129 ( -4.454 -0.120 3.935) 5.944 2.159 ( -4.468 0.349 3.453) 5.657 2.394 ( 1.565 -5.153 -2.246) 5.835 2.507 ( 0.609 -1.498 -3.563) 3.913 2.748 ( -0.006 4.662 -2.532) 5.306 3.018 ( -9.794 0.546 14.564) 17.559 3.179 ( -9.563 -3.065 -5.671) 11.532 3.401 ( 5.978 -6.391 -3.874) 9.570 3.485 ( 2.998 -6.278 3.888) 7.970 3.601 ( -5.416 2.100 -3.015) 6.544 3.793 ( -0.019 -0.370 3.156) 3.178 3.830 ( 9.166 4.190 6.998) 12.269 4.069 ( -1.692 5.057 2.419) 5.855 4.208 ( -0.526 0.986 -6.013) 6.116 4.388 ( -1.491 5.608 0.876) 5.869 4.533 ( -0.697 2.297 7.341) 7.724 4.742 ( 1.803 -4.512 -1.444) 5.069 4.944 ( 3.964 -1.068 -12.258) 12.927 5.178 ( 1.399 1.681 -4.534) 5.034 5.222 ( 2.133 -3.645 -9.595) 10.484 5.559 ( 5.387 12.804 -0.996) 13.926 5.658 ( -3.416 13.866 -2.823) 14.557 6.263 ( -7.587 13.235 -2.463) 15.453 6.348 ( 8.303 10.366 -3.269) 13.677 6.960 ( -3.481 4.478 11.222) 12.574 7.371 ( -1.057 3.147 0.070) 3.321 7.621 ( -0.250 -0.924 7.043) 7.108 7.815 ( 5.862 2.080 -8.072) 10.190 8.053 ( -10.081 -3.523 2.074) 10.878 8.177 ( -6.194 3.832 1.651) 7.469 8.355 ( 5.775 -1.203 -1.516) 6.091 8.716 ( -3.460 -10.211 4.146) 11.551 9.289 ( 0.725 -2.289 -1.149) 2.662 9.460 ( 9.289 -0.254 1.231) 9.374 9.721 ( 8.063 -4.625 12.793) 15.814 10.448 ( -4.387 -4.406 -2.917) 6.868 10.497 ( 6.899 -6.193 -0.019) 9.271 11.044 ( -3.441 -6.227 -4.387) 8.359 15.643 ( -0.003 9.265 0.576) 9.283 15.951 ( -0.979 -0.115 -4.764) 4.865 16.382 ( 1.426 7.422 3.095) 8.167 16.397 ( 1.373 8.111 6.440) 10.447 16.536 ( -0.200 11.606 0.679) 11.628 17.305 ( -11.913 10.145 1.633) 15.733 18.087 ( -6.504 0.022 -6.000) 8.849 18.703 ( 5.287 -3.827 -8.393) 10.632 19.067 ( -0.955 -3.280 10.063) 10.628 19.349 ( 1.993 -8.969 5.809) 10.870 ======================= Grid point 134 (64/125) ======================= q-point: ( 0.14 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 3.313 4.321 10.043) 11.424 1.149 ( 8.182 12.421 13.294) 19.949 1.429 ( 5.101 3.137 3.415) 6.894 1.602 ( -1.064 2.859 4.923) 5.791 1.654 ( -0.765 1.356 2.175) 2.675 1.820 ( 5.220 3.803 4.739) 8.011 2.049 ( -5.044 -1.133 5.127) 7.281 2.101 ( -3.317 2.140 3.871) 5.528 2.373 ( -3.467 -2.416 -2.220) 4.774 2.476 ( -2.771 0.971 -2.812) 4.065 2.592 ( -11.461 2.628 -1.805) 11.896 2.976 ( -0.863 0.790 14.154) 14.202 3.082 ( -2.761 -0.074 -0.835) 2.885 3.313 ( -2.536 -5.031 -1.532) 5.838 3.551 ( 0.168 0.933 -0.305) 0.996 3.683 ( 8.054 -10.725 3.026) 13.750 3.801 ( -1.631 5.671 1.677) 6.135 4.018 ( 1.429 -0.304 3.318) 3.626 4.052 ( 3.561 -0.193 3.465) 4.972 4.174 ( 0.247 2.280 -7.917) 8.242 4.384 ( 3.827 10.949 -1.162) 11.657 4.563 ( -1.807 1.447 10.690) 10.938 4.774 ( 2.292 -6.383 -4.444) 8.109 4.957 ( 4.047 -2.151 -13.878) 14.616 5.166 ( -0.123 2.796 -5.488) 6.160 5.224 ( 2.747 -3.544 -8.929) 9.992 5.546 ( -5.157 13.385 -3.520) 14.770 5.676 ( 5.530 11.924 0.662) 13.161 6.093 ( -8.260 11.125 -0.278) 13.859 6.476 ( 6.140 13.820 -4.662) 15.825 6.941 ( -4.019 4.518 10.711) 12.300 7.359 ( -0.158 2.981 -0.326) 3.003 7.661 ( 0.564 -1.228 6.745) 6.879 7.834 ( -12.153 -2.349 7.118) 14.279 7.886 ( 4.854 2.965 -8.422) 10.163 8.097 ( -2.947 3.508 2.233) 5.097 8.361 ( -2.930 -0.546 0.468) 3.017 8.748 ( 3.806 -6.516 2.051) 7.820 9.268 ( -1.320 -1.273 -0.099) 1.836 9.558 ( 0.789 -2.525 -1.005) 2.830 10.090 ( 18.211 -14.446 0.031) 23.245 10.349 ( -2.205 -4.694 -5.918) 7.869 10.657 ( 9.123 -6.372 2.519) 11.410 10.981 ( -0.568 -5.236 -4.978) 7.246 15.678 ( 2.710 8.540 1.923) 9.164 15.919 ( 0.154 0.041 -4.383) 4.386 16.353 ( -6.123 8.090 3.461) 10.720 16.427 ( -0.499 8.118 2.878) 8.627 16.528 ( -1.746 12.841 1.853) 13.091 16.985 ( -19.203 9.730 11.683) 24.494 18.015 ( 0.632 -0.775 -2.712) 2.890 18.776 ( 4.331 -4.387 -3.365) 7.023 19.114 ( 2.089 -3.296 4.037) 5.614 19.393 ( -0.458 -8.638 3.182) 9.217 ======================= Grid point 135 (65/125) ======================= q-point: ( 0.29 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 3.778 -5.121 5.190) 8.212 1.381 ( 7.790 7.416 13.294) 17.100 1.540 ( 3.391 2.494 -2.701) 5.001 1.583 ( 0.020 1.247 -2.647) 2.926 1.627 ( -4.163 -0.012 11.318) 12.059 1.902 ( -1.013 1.824 5.151) 5.557 2.016 ( -2.121 6.422 5.234) 8.552 2.071 ( -1.854 3.510 3.803) 5.497 2.273 ( -8.404 5.947 3.185) 10.777 2.313 ( -2.906 2.274 -1.156) 3.867 2.518 ( 1.359 -2.096 -2.297) 3.393 2.945 ( -7.782 2.262 -4.839) 9.439 3.076 ( 1.712 2.347 15.371) 15.643 3.393 ( 7.434 -6.457 3.071) 10.315 3.544 ( -1.374 -2.604 -1.552) 3.328 3.732 ( -3.396 3.586 2.264) 5.433 3.833 ( 4.659 -7.422 3.820) 9.559 4.050 ( -0.107 -0.815 4.222) 4.301 4.083 ( -3.827 -2.797 4.928) 6.837 4.160 ( 5.209 1.518 -10.196) 11.549 4.516 ( 4.573 9.252 2.149) 10.542 4.575 ( 1.305 6.359 4.159) 7.710 4.767 ( -0.104 -8.410 -6.573) 10.675 4.962 ( 3.661 -0.862 -13.480) 13.995 5.119 ( -1.587 4.113 -5.574) 7.107 5.232 ( 2.646 -3.597 -8.618) 9.706 5.438 ( -3.940 11.970 -1.797) 12.729 5.764 ( 2.993 11.882 -1.520) 12.347 5.958 ( -5.328 11.646 1.227) 12.866 6.541 ( 3.190 14.586 -4.156) 15.499 6.921 ( -3.346 5.185 9.903) 11.668 7.359 ( 0.432 2.579 -0.927) 2.774 7.643 ( -6.999 -0.629 6.422) 9.519 7.743 ( 0.144 -2.064 6.762) 7.071 7.898 ( -0.165 3.032 -5.403) 6.198 8.100 ( 2.146 3.052 1.280) 3.944 8.305 ( -3.448 -0.763 0.162) 3.535 8.740 ( -4.810 -5.176 -1.360) 7.196 9.272 ( 0.130 -2.016 2.948) 3.574 9.546 ( 0.072 -3.860 -1.780) 4.251 10.319 ( 5.973 -16.032 -7.709) 18.765 10.331 ( 6.414 -4.771 -6.707) 10.435 10.840 ( 4.394 -8.067 6.974) 11.533 10.972 ( 4.025 -4.839 -8.738) 10.769 15.755 ( 3.631 8.951 2.483) 9.974 15.912 ( 1.221 -0.381 -3.552) 3.776 16.218 ( -8.631 5.203 4.869) 11.192 16.408 ( -2.274 10.511 1.345) 10.838 16.494 ( -2.008 13.126 1.104) 13.325 16.750 ( -12.716 7.218 16.045) 21.708 18.062 ( 4.192 -1.489 0.841) 4.527 18.832 ( 2.062 -4.585 1.765) 5.328 19.183 ( 4.004 -2.983 -1.275) 5.153 19.363 ( -3.789 -8.162 2.782) 9.419 ======================= Grid point 136 (66/125) ======================= q-point: ( 0.43 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -2.230 -11.502 1.070) 11.765 1.415 ( -8.335 -5.088 -5.143) 11.036 1.512 ( -4.760 0.551 14.983) 15.730 1.625 ( -2.170 3.883 8.053) 9.200 1.679 ( 7.229 8.830 1.203) 11.475 1.908 ( -0.966 6.718 7.134) 9.847 1.965 ( -1.461 8.328 1.479) 8.584 2.099 ( 2.197 3.838 4.854) 6.567 2.179 ( -2.314 7.685 8.486) 11.680 2.362 ( 3.622 -2.663 -1.201) 4.653 2.531 ( 0.308 -0.412 -2.488) 2.540 2.805 ( -2.107 6.063 -7.328) 9.742 3.151 ( -2.849 2.581 16.913) 17.344 3.469 ( -2.308 -2.557 -2.075) 4.021 3.555 ( 4.329 -6.593 3.698) 8.712 3.734 ( 2.471 -1.288 2.114) 3.498 3.909 ( 1.129 -6.162 0.703) 6.304 3.983 ( -5.930 -3.909 7.086) 10.033 4.086 ( 1.100 2.683 0.572) 2.956 4.226 ( 2.202 -2.532 -0.331) 3.372 4.522 ( -1.543 4.890 5.243) 7.334 4.638 ( 0.753 10.872 -8.981) 14.122 4.742 ( 2.393 -6.419 -4.502) 8.197 4.946 ( 0.901 0.764 -12.611) 12.666 5.074 ( 0.670 4.783 -4.560) 6.643 5.247 ( 3.518 -3.553 -8.084) 9.505 5.389 ( -0.382 10.605 -1.103) 10.669 5.762 ( -1.187 11.867 -3.119) 12.327 5.915 ( -0.316 11.773 1.488) 11.870 6.568 ( 1.745 14.558 -3.395) 15.050 6.913 ( -2.497 5.798 9.397) 11.321 7.368 ( 1.218 2.670 -1.530) 3.310 7.569 ( -3.178 -0.320 6.164) 6.942 7.783 ( -0.789 -1.582 7.803) 8.001 7.849 ( -2.508 2.138 -1.799) 3.755 8.151 ( 0.535 2.025 -1.475) 2.562 8.205 ( -3.731 1.067 -4.519) 5.957 8.646 ( -2.585 -2.881 0.496) 3.903 9.257 ( -2.213 -3.993 0.827) 4.640 9.563 ( 1.679 -4.796 -0.909) 5.162 10.331 ( 1.326 -10.685 -7.806) 13.299 10.459 ( 7.216 -10.373 -5.116) 13.632 10.845 ( -4.413 -8.551 1.549) 9.747 11.060 ( 6.554 -5.300 -4.747) 9.674 15.817 ( 0.640 10.011 2.175) 10.264 15.939 ( 3.618 0.381 -2.853) 4.623 16.103 ( -5.610 1.021 6.124) 8.367 16.367 ( -2.393 10.345 0.703) 10.641 16.471 ( -0.740 15.354 0.695) 15.388 16.642 ( -6.267 5.311 14.819) 16.944 18.164 ( 4.344 -2.148 4.418) 6.558 18.879 ( 1.144 -4.451 4.593) 6.498 19.228 ( 1.409 -1.966 -8.623) 8.956 19.306 ( -2.881 -8.964 7.109) 11.798 ======================= Grid point 137 (67/125) ======================= q-point: (-0.43 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -11.169 -7.091 2.425) 13.450 1.251 ( -6.365 -5.658 0.199) 8.518 1.395 ( -10.543 5.446 7.546) 14.063 1.618 ( -3.693 7.085 10.039) 12.830 1.819 ( 4.163 7.325 1.047) 8.491 1.852 ( -6.963 4.332 10.091) 13.003 2.045 ( 5.279 6.278 2.185) 8.488 2.168 ( 2.110 -0.924 4.344) 4.917 2.297 ( 8.837 5.984 7.179) 12.862 2.357 ( -1.319 -1.998 -3.148) 3.955 2.518 ( 0.064 2.102 -2.047) 2.935 2.793 ( 3.809 5.581 -8.358) 10.748 3.147 ( -6.200 1.444 18.752) 19.803 3.449 ( 1.772 -1.064 -1.975) 2.859 3.615 ( 0.218 -6.657 4.629) 8.111 3.780 ( -0.454 -2.568 -3.066) 4.025 3.875 ( -2.342 -4.840 -2.084) 5.767 3.962 ( -0.722 -1.319 9.994) 10.107 4.126 ( 1.667 -1.055 2.763) 3.395 4.190 ( -6.558 -4.356 5.032) 9.343 4.520 ( -4.771 8.965 -4.071) 10.941 4.580 ( 3.457 4.555 -2.656) 6.306 4.748 ( -0.697 2.444 -6.976) 7.425 4.913 ( 3.391 -2.524 -10.637) 11.446 5.093 ( 2.907 5.212 -4.674) 7.580 5.280 ( 3.787 -3.888 -9.472) 10.916 5.401 ( 1.818 9.814 -0.917) 10.023 5.724 ( -0.954 13.143 -2.430) 13.400 5.938 ( 2.227 10.505 0.623) 10.756 6.573 ( 0.345 14.656 -3.588) 15.093 6.919 ( -1.825 5.750 9.531) 11.280 7.390 ( 1.731 3.589 -1.934) 4.429 7.589 ( 0.749 -1.025 8.549) 8.643 7.784 ( -1.969 0.959 2.234) 3.128 7.799 ( -1.820 0.651 5.807) 6.121 8.053 ( -2.129 -1.119 -6.360) 6.799 8.216 ( 1.556 5.001 -0.998) 5.331 8.625 ( -1.324 -3.117 -0.844) 3.490 9.244 ( 1.346 -4.248 1.286) 4.638 9.574 ( -0.349 -4.624 -0.742) 4.696 10.299 ( -0.193 -10.410 -6.591) 12.323 10.520 ( 0.109 -13.083 -6.842) 14.765 10.706 ( -9.214 -6.552 -1.093) 11.359 11.149 ( 4.234 -5.984 -2.171) 7.645 15.798 ( -2.532 11.013 0.101) 11.301 16.012 ( 4.167 1.211 -2.173) 4.853 16.075 ( -0.393 -0.126 6.267) 6.281 16.323 ( -2.528 8.861 1.523) 9.340 16.469 ( 0.206 15.313 0.802) 15.336 16.683 ( 3.454 7.054 14.408) 16.410 18.257 ( 2.335 -2.739 5.546) 6.612 18.919 ( 0.496 -4.233 3.964) 5.820 19.152 ( -3.904 -3.528 -5.442) 7.570 19.318 ( -0.315 -7.465 3.042) 8.067 ======================= Grid point 138 (68/125) ======================= q-point: (-0.29 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -9.514 3.431 10.146) 14.326 1.127 ( -10.108 8.425 9.080) 15.987 1.280 ( -1.107 -1.290 -0.612) 1.807 1.543 ( -10.368 10.541 12.465) 19.339 1.744 ( -6.097 1.153 9.682) 11.499 1.870 ( -1.530 4.969 0.645) 5.239 2.130 ( 1.336 3.841 4.448) 6.027 2.223 ( 1.099 -3.592 1.939) 4.228 2.319 ( 3.645 -2.873 -4.430) 6.416 2.495 ( -0.856 0.197 -4.019) 4.114 2.578 ( 11.938 5.900 4.953) 14.208 2.851 ( 7.622 3.917 -6.980) 11.052 3.124 ( -6.013 0.581 19.590) 20.500 3.502 ( 3.187 -0.388 1.824) 3.692 3.621 ( -2.410 -9.110 2.267) 9.692 3.682 ( -5.097 0.895 -6.359) 8.198 3.830 ( -1.757 -5.204 -1.991) 5.842 3.973 ( -5.772 2.565 6.040) 8.740 4.078 ( -5.303 -3.224 4.730) 7.803 4.175 ( 1.768 -3.251 4.739) 6.013 4.400 ( -3.385 9.514 -2.173) 10.329 4.634 ( -2.597 9.370 2.765) 10.108 4.691 ( 3.360 -3.455 -10.594) 11.639 4.942 ( 3.561 -2.445 -9.709) 10.627 5.126 ( 2.802 3.933 -4.317) 6.477 5.280 ( 1.611 -3.623 -11.048) 11.738 5.439 ( 2.450 9.743 -1.820) 10.210 5.707 ( 0.323 14.893 -1.650) 14.988 6.020 ( 6.063 9.736 0.263) 11.473 6.535 ( -2.360 14.214 -4.419) 15.071 6.938 ( -1.506 5.366 10.224) 11.644 7.407 ( 0.568 3.821 -1.169) 4.036 7.611 ( -2.794 -1.456 7.656) 8.279 7.749 ( -0.054 1.801 -3.811) 4.215 7.934 ( 10.386 -0.149 7.479) 12.800 8.079 ( 7.070 -1.509 5.248) 8.933 8.222 ( -0.363 4.699 -1.113) 4.843 8.546 ( -5.848 -3.877 -3.069) 7.659 9.315 ( 3.603 -3.711 3.001) 5.980 9.550 ( -1.461 -3.795 -0.487) 4.096 10.236 ( -20.897 -15.552 -13.397) 29.292 10.289 ( 1.375 -7.785 -5.266) 9.498 10.603 ( -3.427 -2.761 4.058) 5.986 11.186 ( 0.459 -7.191 -2.455) 7.612 15.737 ( -3.190 11.706 -1.432) 12.217 16.038 ( -0.171 -1.899 -2.230) 2.934 16.151 ( 4.551 4.078 4.607) 7.653 16.302 ( -0.454 8.860 3.452) 9.519 16.494 ( 1.751 12.759 0.816) 12.904 16.924 ( 13.338 10.145 14.054) 21.871 18.303 ( -0.062 -3.049 3.113) 4.358 18.905 ( -2.217 -3.972 -9.625) 10.645 19.057 ( -4.641 -2.948 6.286) 8.352 19.308 ( -2.063 -7.831 3.072) 8.661 ======================= Grid point 139 (69/125) ======================= q-point: (-0.14 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -0.767 11.690 15.454) 19.393 0.985 ( -8.341 17.795 10.658) 22.357 1.319 ( 2.890 -3.350 -0.642) 4.471 1.417 ( -7.008 10.852 18.549) 22.604 1.698 ( -3.157 0.633 4.879) 5.846 1.807 ( -3.722 3.870 0.184) 5.372 2.157 ( -0.898 2.147 4.808) 5.341 2.219 ( -2.381 -3.167 1.878) 4.385 2.381 ( 1.556 -5.089 -1.913) 5.655 2.481 ( 3.025 -0.454 -4.592) 5.518 2.717 ( 3.485 6.558 -3.411) 8.172 3.085 ( 5.399 -1.060 11.167) 12.448 3.113 ( 5.647 -0.898 5.944) 8.248 3.447 ( -11.302 -7.741 -6.522) 15.172 3.549 ( -2.741 -1.505 -1.608) 3.516 3.651 ( 3.805 2.822 2.439) 5.328 3.762 ( -4.768 -5.629 -0.984) 7.443 3.827 ( -8.045 3.383 5.626) 10.384 4.061 ( 0.353 4.296 2.720) 5.096 4.227 ( 0.676 -2.643 1.753) 3.243 4.381 ( 0.331 5.618 2.664) 6.226 4.556 ( -3.333 6.747 -0.731) 7.561 4.726 ( 1.661 -4.088 -2.657) 5.151 4.940 ( 2.245 -0.473 -10.437) 10.686 5.159 ( 2.663 2.084 -4.054) 5.279 5.244 ( 0.895 -3.353 -10.511) 11.070 5.481 ( 3.323 10.863 -2.007) 11.536 5.706 ( -0.139 15.438 -2.285) 15.607 6.169 ( 9.082 10.931 -1.037) 14.249 6.432 ( -5.952 12.389 -4.321) 14.408 6.958 ( -2.144 4.911 10.954) 12.195 7.396 ( -1.234 3.325 0.075) 3.547 7.603 ( -1.642 -0.950 7.218) 7.463 7.757 ( 3.651 1.847 -6.633) 7.793 8.113 ( 6.402 -1.771 -2.857) 7.231 8.200 ( 0.195 4.081 -0.724) 4.149 8.379 ( -6.508 -1.342 -3.004) 7.292 8.466 ( 18.818 -10.111 19.294) 28.786 9.377 ( 1.253 -2.193 2.552) 3.591 9.466 ( -11.220 -2.985 -6.248) 13.185 9.723 ( -16.960 -4.047 3.250) 17.736 10.361 ( 6.994 -7.687 -3.927) 11.110 10.545 ( -4.617 -3.094 2.775) 6.212 11.139 ( -3.369 -7.295 -3.726) 8.857 15.671 ( -2.502 10.714 -1.111) 11.058 16.000 ( -1.538 -1.017 -4.239) 4.622 16.278 ( 5.483 6.257 5.563) 10.008 16.338 ( 1.583 8.116 4.700) 9.511 16.528 ( 1.099 11.722 0.195) 11.775 17.265 ( 12.444 9.944 6.718) 17.288 18.265 ( -4.850 -1.994 -4.543) 6.938 18.742 ( -4.403 -2.870 -15.153) 16.039 19.045 ( -2.925 -2.992 13.703) 14.328 19.298 ( -0.521 -8.494 5.772) 10.283 ======================= Grid point 140 (70/125) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -1.376 14.147 7.654) 16.144 1.248 ( -1.291 10.394 15.117) 18.391 1.379 ( 5.518 1.666 0.323) 5.773 1.675 ( 0.730 4.200 8.054) 9.113 1.712 ( -2.764 3.506 5.252) 6.893 1.841 ( 0.388 6.549 -0.703) 6.598 2.084 ( -3.987 -4.320 0.546) 5.904 2.174 ( -3.528 0.237 1.876) 4.003 2.275 ( 4.050 -5.901 -0.051) 7.158 2.452 ( -0.852 -3.445 0.364) 3.568 2.809 ( -1.902 0.556 -0.844) 2.153 3.075 ( -8.746 0.211 1.214) 8.832 3.128 ( -4.375 2.814 6.967) 8.695 3.247 ( 6.127 -7.146 -2.753) 9.807 3.363 ( -4.147 -4.653 4.622) 7.759 3.662 ( -5.236 2.419 2.502) 6.288 3.803 ( 3.940 2.876 4.034) 6.330 3.920 ( 5.601 4.621 3.332) 7.989 4.183 ( -0.966 5.446 1.927) 5.857 4.239 ( 0.749 1.845 -1.635) 2.576 4.526 ( 0.184 3.895 -0.136) 3.902 4.578 ( -3.272 3.347 -1.273) 4.851 4.642 ( 3.386 -2.894 -3.134) 5.447 4.928 ( 1.348 -0.781 -9.293) 9.423 5.132 ( 2.827 -4.887 -11.021) 12.383 5.180 ( 2.905 -1.859 -6.906) 7.720 5.871 ( 4.552 17.255 1.522) 17.910 5.984 ( -3.346 16.516 -4.216) 17.371 6.502 ( -4.938 11.384 -1.498) 12.499 6.631 ( 6.657 13.352 -5.045) 15.749 7.082 ( -3.983 7.195 11.738) 14.333 7.451 ( -1.526 4.175 2.030) 4.887 7.596 ( -0.083 -1.512 6.371) 6.548 7.876 ( 4.648 2.396 -7.861) 9.441 7.950 ( -8.570 -5.622 4.447) 11.173 8.251 ( -2.936 2.048 -0.182) 3.584 8.314 ( 5.288 -2.216 -0.392) 5.747 8.488 ( 2.210 -9.906 6.300) 11.946 9.264 ( -3.979 0.455 -2.352) 4.645 9.484 ( 5.238 2.537 1.560) 6.025 9.623 ( 2.507 -4.758 8.673) 10.205 10.268 ( 5.654 -12.772 -5.712) 15.090 10.395 ( -2.344 -3.265 2.476) 4.721 10.880 ( -1.722 -9.618 -5.152) 11.046 15.783 ( -0.627 4.536 0.829) 4.654 15.942 ( -1.025 -0.747 -2.194) 2.534 16.563 ( 0.439 9.953 7.170) 12.275 16.618 ( 2.008 11.909 8.831) 14.962 16.861 ( -0.443 19.808 -2.074) 19.922 17.532 ( -5.626 10.823 -7.199) 14.163 18.075 ( -6.273 -1.597 -7.990) 10.283 18.570 ( 4.940 -9.669 -9.487) 14.419 18.981 ( -2.131 -4.728 10.861) 12.036 19.154 ( 0.547 -8.980 9.606) 13.161 ======================= Grid point 141 (71/125) ======================= q-point: ( 0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -3.613 8.666 5.183) 10.724 1.354 ( 3.512 8.581 15.677) 18.213 1.486 ( 4.766 2.095 2.038) 5.590 1.652 ( -3.883 0.757 -2.121) 4.489 1.690 ( -2.437 3.279 7.718) 8.733 1.903 ( -0.500 -0.828 4.877) 4.972 2.044 ( 3.485 1.933 0.790) 4.062 2.145 ( -0.542 2.734 1.176) 3.026 2.327 ( 0.320 -2.036 -0.695) 2.175 2.433 ( -0.839 -4.264 0.518) 4.376 2.708 ( -7.368 6.860 -0.899) 10.108 3.019 ( 1.163 2.010 6.296) 6.710 3.074 ( -3.003 0.573 -0.305) 3.072 3.230 ( -2.380 -2.205 6.407) 7.182 3.439 ( 2.283 -9.632 7.528) 12.436 3.584 ( -0.418 0.719 -3.079) 3.189 3.908 ( 2.539 3.159 5.792) 7.069 4.040 ( 3.146 0.187 4.883) 5.812 4.073 ( -7.577 6.114 0.904) 9.778 4.251 ( 2.106 5.018 -10.074) 11.450 4.527 ( 0.361 -3.570 -1.069) 3.744 4.565 ( -1.505 -1.020 9.499) 9.672 4.718 ( 6.937 5.775 -7.369) 11.652 4.920 ( 3.900 -1.201 -11.523) 12.224 5.136 ( 3.018 -4.885 -10.287) 11.782 5.206 ( 2.855 0.858 -6.797) 7.422 5.861 ( -5.494 16.916 -2.649) 17.982 5.984 ( 4.780 16.884 0.325) 17.550 6.363 ( -6.947 14.614 0.109) 16.182 6.766 ( 7.924 12.200 -6.066) 15.762 7.064 ( -3.580 7.084 11.157) 13.692 7.438 ( -0.863 4.356 1.427) 4.665 7.633 ( 0.643 -1.356 5.942) 6.128 7.763 ( -9.879 -4.857 6.996) 13.044 7.973 ( 6.172 5.420 -10.077) 13.000 8.177 ( -3.764 3.778 2.048) 5.713 8.344 ( -2.241 -1.125 0.989) 2.696 8.563 ( 3.458 -11.067 1.558) 11.699 9.220 ( -1.022 -3.223 0.439) 3.409 9.515 ( -2.184 -1.200 0.255) 2.505 9.784 ( 8.064 -13.122 3.534) 15.802 10.237 ( -0.664 -6.777 -8.179) 10.643 10.502 ( 7.494 -7.652 5.270) 11.937 10.841 ( 0.659 -8.232 -5.913) 10.157 15.806 ( 1.980 3.986 2.628) 5.168 15.916 ( -0.418 -0.370 -2.411) 2.475 16.573 ( -4.078 10.933 5.789) 13.026 16.644 ( -2.464 14.028 5.025) 15.104 16.834 ( -2.561 15.427 3.451) 16.015 17.279 ( -13.789 18.674 -4.122) 23.577 17.973 ( -0.433 -3.934 -4.166) 5.746 18.638 ( 4.501 -9.239 -4.224) 11.111 19.012 ( 0.408 -6.443 7.797) 10.122 19.197 ( -0.484 -9.587 4.954) 10.802 ======================= Grid point 142 (72/125) ======================= q-point: ( 0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -4.112 1.687 2.678) 5.189 1.497 ( -3.088 0.941 8.388) 8.988 1.534 ( -0.586 1.528 4.789) 5.061 1.575 ( 0.641 0.922 4.633) 4.767 1.709 ( 1.854 4.480 4.174) 6.398 1.887 ( -1.532 -3.431 7.465) 8.358 2.128 ( 1.234 1.478 -0.356) 1.958 2.194 ( 4.671 8.478 0.645) 9.701 2.288 ( -1.574 1.213 -0.731) 2.118 2.448 ( 1.949 -3.636 0.954) 4.234 2.567 ( -6.749 15.051 2.161) 16.636 2.988 ( -2.381 1.677 -4.044) 4.983 3.151 ( 4.737 4.296 10.276) 12.103 3.288 ( 2.892 -2.362 9.404) 10.118 3.436 ( -3.573 -7.388 4.897) 9.557 3.644 ( 5.132 -5.614 -1.464) 7.746 3.858 ( -6.768 3.016 1.158) 7.500 3.966 ( -6.527 -3.461 6.854) 10.077 4.138 ( 5.122 5.490 2.861) 8.035 4.230 ( 0.815 4.493 -10.316) 11.281 4.525 ( -0.285 -11.715 -1.631) 11.832 4.576 ( -1.865 0.156 8.887) 9.082 4.801 ( 5.982 6.082 -11.454) 14.282 4.988 ( 7.919 5.263 -8.340) 12.648 5.141 ( 2.853 -4.915 -10.194) 11.671 5.206 ( 0.457 4.096 -6.455) 7.659 5.747 ( -4.356 17.831 -2.222) 18.489 6.058 ( 2.244 15.858 -0.510) 16.024 6.255 ( -4.265 16.650 1.440) 17.248 6.856 ( 4.419 13.592 -5.470) 15.303 7.065 ( -1.650 8.385 9.299) 12.630 7.426 ( -1.147 3.641 1.723) 4.188 7.618 ( -6.377 -1.985 7.046) 9.708 7.700 ( 1.118 -1.695 5.337) 5.710 7.977 ( -1.393 4.530 -6.401) 7.964 8.183 ( 3.358 4.773 0.422) 5.851 8.283 ( -4.117 -1.339 0.380) 4.346 8.593 ( -0.317 -8.851 -1.492) 8.982 9.204 ( -2.364 -5.251 2.876) 6.436 9.442 ( -3.200 -5.886 -1.821) 6.943 9.914 ( 4.966 -19.307 -2.255) 20.062 10.230 ( 3.843 -6.529 -8.080) 11.076 10.650 ( 2.973 -9.201 6.808) 11.826 10.850 ( 4.114 -6.870 -6.815) 10.515 15.877 ( 3.187 2.622 3.462) 5.387 15.904 ( 0.407 -0.383 -1.879) 1.961 16.444 ( -9.075 15.080 1.249) 17.644 16.621 ( -2.924 12.369 5.899) 14.011 16.794 ( -4.459 10.928 8.360) 14.463 17.046 ( -8.286 23.589 -1.414) 25.042 17.998 ( 3.651 -5.293 -0.807) 6.481 18.696 ( 2.696 -8.732 0.212) 9.141 19.067 ( 0.834 -8.366 7.555) 11.303 19.181 ( -2.024 -8.796 -0.453) 9.037 ======================= Grid point 143 (73/125) ======================= q-point: ( 0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -3.641 -2.042 1.195) 4.342 1.317 ( -9.480 -4.195 -4.023) 11.120 1.550 ( -4.922 2.184 10.620) 11.907 1.670 ( 1.091 2.267 12.831) 13.075 1.785 ( 2.582 1.560 5.655) 6.409 1.952 ( 4.340 -0.786 6.014) 7.458 2.126 ( 0.038 3.589 -3.131) 4.763 2.203 ( -2.260 6.392 1.154) 6.878 2.323 ( 2.369 2.104 -0.436) 3.198 2.486 ( -1.245 11.955 3.769) 12.597 2.513 ( 1.920 4.464 2.786) 5.601 2.948 ( 0.679 7.152 -6.048) 9.391 3.241 ( -3.140 6.594 14.602) 16.326 3.363 ( -0.496 -6.566 6.678) 9.379 3.438 ( 2.362 -5.715 3.104) 6.919 3.682 ( 0.229 -3.278 -0.819) 3.387 3.818 ( 1.902 -1.377 -0.453) 2.391 3.876 ( -4.805 -5.921 6.589) 10.077 4.147 ( -4.704 1.193 -3.382) 5.915 4.245 ( 2.315 3.556 3.996) 5.829 4.492 ( -0.884 -11.236 -4.651) 12.193 4.611 ( 2.120 2.276 3.989) 5.059 4.846 ( 4.737 3.486 -10.589) 12.113 5.063 ( 1.335 10.945 -8.928) 14.187 5.151 ( 3.956 -5.284 -10.298) 12.232 5.177 ( 1.156 5.088 -4.723) 7.038 5.682 ( -1.222 17.613 -1.512) 17.720 6.062 ( -0.627 16.435 -1.752) 16.540 6.214 ( -1.235 16.701 1.705) 16.833 6.895 ( 2.386 14.578 -4.187) 15.354 7.078 ( -1.891 9.921 7.419) 12.531 7.427 ( 0.294 2.065 3.918) 4.439 7.560 ( -2.629 -0.055 5.048) 5.692 7.753 ( 0.486 -1.014 7.041) 7.130 7.905 ( -2.861 3.247 -3.048) 5.293 8.146 ( -6.025 -1.767 -4.184) 7.545 8.290 ( 4.588 5.984 -2.160) 7.844 8.572 ( -0.912 -4.074 0.370) 4.191 9.141 ( -3.967 -7.338 1.003) 8.401 9.419 ( 1.139 -9.263 -1.371) 9.433 9.966 ( 2.335 -20.683 -4.216) 21.237 10.263 ( 2.332 -10.823 -7.349) 13.288 10.669 ( -2.854 -7.161 3.969) 8.671 10.926 ( 5.459 -7.418 -4.088) 10.076 15.905 ( 0.739 0.289 -0.699) 1.058 15.954 ( 2.176 -0.463 2.792) 3.570 16.304 ( -4.808 16.880 1.357) 17.604 16.582 ( -4.327 11.767 6.551) 14.146 16.768 ( -2.902 7.937 11.079) 13.934 16.939 ( -1.192 26.918 -4.282) 27.282 18.081 ( 3.897 -6.494 2.138) 7.869 18.749 ( 2.062 -8.297 2.342) 8.864 19.085 ( -4.910 -11.276 9.943) 15.815 19.150 ( 1.848 -6.157 -5.434) 8.417 ======================= Grid point 144 (74/125) ======================= q-point: (-0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -1.925 1.457 2.943) 3.806 1.154 ( -4.635 -2.957 -1.866) 5.807 1.479 ( -8.150 3.309 11.898) 14.796 1.713 ( -2.284 2.982 10.862) 11.494 1.850 ( 0.410 -2.944 7.150) 7.743 2.008 ( -2.410 3.505 -2.626) 4.999 2.150 ( -2.363 1.790 2.207) 3.696 2.172 ( 5.701 4.725 0.804) 7.448 2.322 ( -2.540 3.123 0.163) 4.029 2.528 ( -0.089 0.661 0.337) 0.747 2.557 ( 4.069 13.172 5.502) 14.843 2.944 ( 2.423 8.411 -7.818) 11.736 3.211 ( -7.117 5.024 18.385) 20.344 3.385 ( -1.034 -5.069 9.090) 10.459 3.484 ( 1.951 -5.011 -1.422) 5.562 3.715 ( 2.139 -3.946 -0.948) 4.587 3.807 ( 0.716 -2.030 -2.174) 3.059 3.877 ( -2.684 -4.120 3.133) 5.830 4.037 ( -4.460 -4.854 4.263) 7.850 4.272 ( -1.283 6.680 3.398) 7.603 4.475 ( 1.720 -9.472 -4.082) 10.456 4.671 ( 1.450 4.700 2.047) 5.328 4.883 ( 4.883 2.544 -10.894) 12.206 4.958 ( -5.716 10.091 -7.416) 13.766 5.168 ( 3.478 -3.807 -11.447) 12.555 5.204 ( 2.310 2.746 -5.305) 6.405 5.683 ( 1.877 17.243 -1.543) 17.414 6.042 ( -0.260 16.926 -1.438) 16.989 6.216 ( 0.998 16.084 1.253) 16.163 6.903 ( 0.638 15.159 -5.874) 16.270 7.070 ( -2.684 8.364 8.986) 12.566 7.478 ( 1.856 3.533 4.621) 6.106 7.557 ( -0.880 -1.209 5.760) 5.951 7.792 ( -0.004 0.449 9.951) 9.962 7.846 ( -1.331 3.431 -3.262) 4.918 8.027 ( -1.914 -1.365 -6.565) 6.973 8.346 ( 1.999 7.250 -2.288) 7.861 8.545 ( -2.762 -4.298 -0.415) 5.125 9.121 ( 2.182 -7.475 1.312) 7.897 9.438 ( 0.950 -8.580 -0.856) 8.675 9.972 ( 0.573 -19.535 -3.942) 19.937 10.211 ( -4.208 -15.364 -7.906) 17.784 10.612 ( -4.330 -2.921 3.226) 6.139 10.993 ( 2.965 -8.914 -3.123) 9.900 15.911 ( -0.044 1.143 -1.572) 1.944 15.984 ( -0.149 -2.299 2.960) 3.751 16.287 ( 1.794 16.470 1.191) 16.610 16.529 ( -4.258 10.734 6.898) 13.451 16.789 ( -0.368 12.553 8.402) 15.110 16.980 ( 7.855 24.330 -2.408) 25.680 18.155 ( 2.177 -7.796 2.995) 8.630 18.791 ( 1.159 -8.540 0.456) 8.630 19.015 ( -5.235 -8.947 5.474) 11.722 19.163 ( -0.077 -7.481 0.011) 7.481 ======================= Grid point 145 (75/125) ======================= q-point: (-0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 1.960 10.123 7.778) 12.916 1.136 ( 2.523 -1.328 2.052) 3.513 1.365 ( -9.244 5.799 11.911) 16.155 1.710 ( -3.094 3.727 8.724) 9.979 1.824 ( -7.362 1.899 4.276) 8.723 1.936 ( -0.835 3.438 -2.456) 4.307 2.121 ( -1.262 -4.946 2.864) 5.853 2.236 ( -4.411 4.658 1.085) 6.507 2.305 ( 3.967 2.745 1.307) 4.998 2.475 ( -2.771 -2.392 -3.822) 5.292 2.712 ( 7.074 6.519 4.627) 10.675 2.963 ( 3.535 6.249 -5.472) 9.027 3.179 ( -5.826 5.389 18.823) 20.428 3.389 ( -3.735 -8.344 7.212) 11.645 3.524 ( 2.083 -1.504 0.346) 2.592 3.704 ( -1.328 -0.435 -4.100) 4.332 3.740 ( -5.476 -2.675 -5.316) 8.087 3.904 ( 5.335 -4.987 4.867) 8.776 4.011 ( -3.921 -2.652 7.829) 9.149 4.260 ( -0.653 7.549 1.928) 7.819 4.504 ( 2.604 -3.062 -3.295) 5.198 4.662 ( -2.102 3.601 -1.844) 4.559 4.812 ( -6.084 7.718 -2.869) 10.238 4.926 ( 4.571 0.973 -9.981) 11.021 5.163 ( 1.916 -2.481 -11.336) 11.761 5.200 ( 0.868 -1.793 -7.292) 7.559 5.726 ( 3.047 17.407 -1.665) 17.750 6.040 ( 0.543 16.371 -1.111) 16.418 6.281 ( 5.272 15.314 0.815) 16.217 6.845 ( -3.201 13.762 -7.399) 15.949 7.077 ( -2.018 7.739 10.967) 13.573 7.507 ( -1.215 5.482 3.295) 6.510 7.564 ( -1.730 -3.306 7.090) 8.012 7.810 ( 0.907 4.389 -6.161) 7.619 7.914 ( 6.254 -2.272 9.141) 11.306 8.039 ( 5.007 -2.240 1.825) 5.781 8.340 ( -1.438 5.958 -2.357) 6.567 8.455 ( -4.903 -4.035 -2.676) 6.891 9.221 ( 5.651 -4.689 3.324) 8.060 9.445 ( 0.321 -6.132 -1.194) 6.255 9.902 ( -10.292 -15.344 -1.737) 18.558 10.078 ( 0.099 -12.578 -8.149) 14.988 10.547 ( -4.140 -2.203 3.387) 5.785 11.002 ( -0.270 -10.422 -3.641) 11.043 15.878 ( -2.189 2.627 -2.236) 4.086 15.990 ( -0.567 -2.360 1.585) 2.899 16.361 ( 4.550 14.102 2.571) 15.039 16.503 ( -1.827 10.159 7.307) 12.647 16.831 ( 1.758 18.889 1.657) 19.043 17.211 ( 15.150 18.022 1.210) 23.575 18.193 ( 0.647 -8.289 1.173) 8.396 18.766 ( -2.053 -10.184 -10.182) 14.546 18.967 ( -3.424 -5.336 10.675) 12.416 19.140 ( -3.136 -7.632 4.451) 9.375 ======================= Grid point 146 (76/125) ======================= q-point: (-0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 3.037 15.335 9.450) 18.267 1.234 ( 0.716 6.213 10.528) 12.245 1.280 ( -1.153 2.545 5.687) 6.336 1.661 ( -4.004 7.756 3.314) 9.336 1.733 ( -4.148 2.419 9.898) 11.001 1.896 ( -2.552 5.076 -3.662) 6.760 2.118 ( -0.734 -5.774 1.875) 6.115 2.199 ( 0.121 0.108 3.222) 3.226 2.286 ( -5.157 -3.224 -0.789) 6.133 2.451 ( 1.328 -1.895 -1.778) 2.918 2.813 ( 1.568 1.573 0.657) 2.316 3.067 ( 8.896 -1.047 -1.269) 9.047 3.164 ( -4.907 5.696 14.385) 16.232 3.283 ( -8.696 -5.467 -1.336) 10.358 3.484 ( -6.622 -5.229 0.049) 8.437 3.687 ( 1.227 0.353 -1.286) 1.812 3.707 ( 2.676 0.931 5.888) 6.534 3.917 ( -5.588 5.500 1.361) 7.958 4.070 ( 7.025 -2.346 4.713) 8.778 4.263 ( -0.766 5.414 1.636) 5.707 4.526 ( 1.116 6.554 -3.129) 7.348 4.618 ( 0.044 -4.625 -3.119) 5.579 4.687 ( -5.885 5.302 -1.590) 8.079 4.944 ( 1.972 0.504 -8.308) 8.554 5.140 ( 1.962 -3.946 -10.831) 11.693 5.178 ( 1.219 -3.013 -7.915) 8.556 5.785 ( 3.788 17.841 -0.421) 18.243 6.038 ( -0.416 15.907 -2.296) 16.077 6.419 ( 8.308 13.043 -0.633) 15.477 6.713 ( -6.299 12.867 -6.326) 15.660 7.090 ( -2.797 7.637 11.537) 14.115 7.479 ( -2.622 4.328 3.014) 5.890 7.573 ( -1.007 -2.002 6.864) 7.220 7.821 ( 4.198 4.469 -8.827) 10.747 8.042 ( 1.451 -6.908 2.825) 7.603 8.191 ( 2.650 -9.318 8.623) 12.970 8.304 ( 0.706 3.294 -0.115) 3.371 8.384 ( 1.334 -0.312 0.218) 1.387 9.338 ( 3.825 -1.232 1.878) 4.436 9.417 ( -2.955 -1.105 -2.340) 3.928 9.647 ( -10.206 -3.375 4.306) 11.580 10.142 ( 7.716 -13.483 -5.305) 16.415 10.476 ( -4.906 -3.056 2.493) 6.295 10.951 ( -2.514 -10.770 -4.604) 11.979 15.818 ( -2.563 3.990 -1.225) 4.898 15.973 ( -1.212 -1.557 -0.853) 2.149 16.481 ( 4.973 12.061 5.664) 14.222 16.532 ( 0.691 10.158 8.242) 13.100 16.863 ( 1.330 20.539 -1.650) 20.648 17.495 ( 11.428 11.607 -2.820) 16.531 18.191 ( -0.771 -5.646 -4.277) 7.125 18.624 ( -3.876 -9.546 -15.501) 18.613 18.974 ( -2.962 -3.553 13.208) 13.995 19.114 ( -2.275 -8.256 9.462) 12.762 ======================= Grid point 147 (77/125) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -1.372 12.163 3.329) 12.684 1.406 ( 0.318 5.093 9.626) 10.895 1.463 ( 0.984 7.181 10.261) 12.563 1.707 ( 0.628 0.928 1.655) 1.998 1.787 ( -0.972 3.614 5.129) 6.349 1.893 ( -7.394 -3.337 -1.074) 8.183 1.976 ( 0.940 -4.756 -0.836) 4.919 2.091 ( 5.820 -7.214 -0.789) 9.303 2.240 ( -1.089 1.783 2.935) 3.603 2.378 ( -2.982 -3.922 2.581) 5.562 2.798 ( -0.313 -0.414 1.420) 1.512 2.954 ( 0.807 -7.846 -0.260) 7.891 3.159 ( -0.961 -1.177 -2.666) 3.069 3.199 ( -6.916 -2.069 -2.819) 7.749 3.413 ( -4.992 9.889 17.702) 20.883 3.672 ( -4.875 -1.681 10.226) 11.452 3.915 ( 9.034 7.263 2.829) 11.931 4.044 ( -2.511 8.386 -3.125) 9.295 4.190 ( 8.363 -4.015 2.770) 9.681 4.346 ( -4.836 7.117 -0.281) 8.610 4.449 ( -2.605 -7.040 -1.716) 7.700 4.600 ( -3.277 -0.442 -4.314) 5.436 4.764 ( 4.853 8.635 -3.128) 10.388 4.910 ( 0.513 -0.552 -10.424) 10.451 5.036 ( 3.221 -4.236 -11.524) 12.693 5.106 ( 5.050 -5.247 -7.494) 10.450 6.203 ( 2.772 13.942 1.293) 14.274 6.274 ( -1.044 10.859 -2.855) 11.277 6.718 ( -1.628 9.065 -0.502) 9.223 6.821 ( 2.366 5.209 -2.840) 6.388 7.242 ( -4.450 8.634 12.026) 15.459 7.521 ( -1.721 2.516 4.151) 5.149 7.560 ( 0.661 -2.241 5.993) 6.433 7.722 ( -7.911 -11.477 10.124) 17.228 8.006 ( 6.167 5.581 -8.316) 11.762 8.202 ( 6.640 -4.410 -3.298) 8.626 8.311 ( -2.465 0.062 0.356) 2.491 8.364 ( -1.376 -2.701 1.694) 3.473 9.321 ( -5.509 5.106 -3.294) 8.202 9.519 ( -2.925 -2.847 2.295) 4.683 9.571 ( 5.596 3.419 3.269) 7.328 9.978 ( 7.889 -14.913 -3.608) 17.253 10.376 ( -1.981 1.907 -0.105) 2.752 10.672 ( -0.482 -10.443 -4.823) 11.513 15.849 ( -0.762 2.418 1.446) 2.918 15.921 ( -0.986 -1.296 -0.098) 1.632 16.758 ( -0.871 8.447 11.943) 14.654 16.819 ( 1.194 6.858 14.064) 15.692 17.300 ( -2.737 22.300 -5.142) 23.048 17.714 ( 1.872 6.683 -8.421) 10.913 18.013 ( -6.135 -4.114 -12.583) 14.591 18.310 ( 6.717 -15.341 -9.674) 19.341 18.908 ( -4.265 -1.683 11.783) 12.644 19.007 ( -1.236 -5.632 10.311) 11.814 ======================= Grid point 148 (78/125) ======================= q-point: ( 0.14 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -8.268 10.205 1.680) 13.241 1.485 ( 0.578 1.963 9.158) 9.384 1.532 ( -1.290 3.593 11.783) 12.386 1.689 ( -1.083 4.030 -3.942) 5.741 1.756 ( -3.212 0.331 6.422) 7.188 1.800 ( -2.436 -4.840 3.365) 6.378 2.051 ( 5.139 -0.424 0.711) 5.206 2.202 ( 5.930 -0.111 -3.264) 6.770 2.284 ( 3.706 -1.709 2.919) 5.017 2.341 ( -2.365 -3.704 2.543) 5.077 2.814 ( 1.233 3.799 0.396) 4.014 2.979 ( 1.733 -4.103 -1.382) 4.664 3.091 ( -0.894 -0.390 -2.552) 2.732 3.184 ( 1.789 -5.398 6.693) 8.782 3.415 ( -3.624 8.511 16.529) 18.942 3.616 ( -4.099 1.226 4.014) 5.867 3.929 ( -6.868 2.022 1.645) 7.346 4.115 ( 7.625 6.193 0.526) 9.837 4.213 ( -7.181 4.866 1.765) 8.852 4.330 ( 4.440 1.410 -3.955) 6.111 4.359 ( -5.103 -8.103 -3.025) 10.042 4.521 ( -3.646 -3.358 6.402) 8.097 4.847 ( 3.976 3.281 -13.439) 14.394 4.938 ( 8.971 2.716 -7.205) 11.822 5.049 ( 4.606 -1.910 -10.809) 11.903 5.194 ( 6.782 -2.164 -6.577) 9.692 6.195 ( -2.882 14.831 -1.613) 15.194 6.292 ( 3.177 11.812 -0.176) 12.233 6.651 ( -3.443 12.973 0.057) 13.422 6.914 ( 7.009 1.972 -3.725) 8.179 7.213 ( -4.396 7.811 11.820) 14.834 7.512 ( -1.852 2.160 3.716) 4.680 7.607 ( -0.856 -1.938 6.226) 6.577 7.629 ( -3.845 -7.730 7.374) 11.354 8.093 ( 6.322 6.006 -10.003) 13.270 8.233 ( -2.418 1.762 0.722) 3.078 8.312 ( 0.527 -2.128 1.744) 2.802 8.349 ( 1.214 -8.763 -0.449) 8.859 9.184 ( -6.703 0.962 -0.272) 6.777 9.438 ( -6.735 -8.057 1.973) 10.685 9.668 ( 3.016 3.019 -0.344) 4.281 10.050 ( 2.383 -11.455 -6.134) 13.211 10.417 ( 5.070 0.201 2.598) 5.701 10.662 ( 2.132 -9.036 -5.069) 10.578 15.860 ( 0.683 1.736 2.714) 3.293 15.905 ( -0.544 -0.724 -0.301) 0.954 16.775 ( -3.786 8.861 10.769) 14.451 16.879 ( -2.957 6.589 15.202) 16.830 17.171 ( -6.803 18.530 -5.035) 20.371 17.692 ( -1.806 20.813 -12.271) 24.228 17.831 ( -2.507 -10.563 -6.297) 12.550 18.405 ( 6.262 -13.627 -6.979) 16.541 18.898 ( -2.878 -3.469 11.954) 12.775 19.020 ( -2.116 -7.809 7.118) 10.777 ======================= Grid point 149 (79/125) ======================= q-point: ( 0.29 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -7.720 7.251 0.870) 10.627 1.404 ( -8.806 -6.249 2.025) 10.986 1.590 ( -0.461 2.122 9.833) 10.070 1.694 ( 1.021 8.175 4.537) 9.405 1.743 ( -3.095 -3.320 10.576) 11.509 1.831 ( 4.020 0.652 2.396) 4.725 2.124 ( 1.831 -0.435 -0.267) 1.901 2.285 ( 2.826 -2.016 -1.797) 3.909 2.327 ( 1.967 1.938 -0.383) 2.787 2.378 ( 3.982 -0.809 2.657) 4.854 2.835 ( 0.199 10.037 2.020) 10.240 3.006 ( 3.163 -0.034 -3.135) 4.453 3.158 ( 6.009 -1.555 2.359) 6.640 3.260 ( 0.335 -6.565 9.878) 11.865 3.436 ( -3.066 11.189 16.507) 20.176 3.586 ( 1.682 0.086 -3.065) 3.497 3.800 ( -7.362 -4.399 3.756) 9.363 4.029 ( -8.490 5.022 -0.700) 9.889 4.196 ( -3.797 -5.695 -0.211) 6.848 4.284 ( -4.017 -2.685 -5.270) 7.150 4.340 ( 3.682 2.822 1.547) 4.890 4.548 ( 1.594 -2.929 8.260) 8.908 4.854 ( 4.776 1.812 -14.760) 15.619 5.023 ( 4.576 -5.118 -11.926) 13.761 5.156 ( 9.269 7.187 -6.029) 13.188 5.272 ( 4.134 1.798 -6.829) 8.183 6.126 ( -2.802 18.204 -2.375) 18.571 6.342 ( 1.678 10.248 -0.300) 10.389 6.600 ( -2.014 16.740 0.387) 16.865 7.024 ( 5.980 1.751 -4.732) 7.824 7.207 ( -1.955 5.517 10.780) 12.266 7.461 ( -5.205 -2.371 5.375) 7.848 7.586 ( -1.409 0.516 6.510) 6.680 7.679 ( 2.298 -0.977 4.482) 5.131 8.067 ( -3.511 4.006 -5.239) 7.471 8.232 ( -6.201 -3.393 0.497) 7.086 8.286 ( 6.199 3.993 -1.245) 7.478 8.429 ( 4.993 -5.534 -1.682) 7.641 9.075 ( -5.235 -5.006 2.463) 7.651 9.292 ( -7.620 -9.992 -0.399) 12.572 9.686 ( 0.255 -1.150 -2.957) 3.183 10.047 ( 0.894 -11.569 -7.524) 13.829 10.532 ( 3.956 -1.523 3.574) 5.544 10.704 ( 4.517 -7.228 -4.346) 9.567 15.896 ( 1.065 0.055 1.968) 2.238 15.900 ( 0.346 -0.013 1.248) 1.295 16.710 ( -6.798 10.321 6.009) 13.742 16.858 ( -6.638 5.753 14.000) 16.528 17.037 ( -4.476 17.600 -0.668) 18.173 17.545 ( -4.594 18.699 -8.401) 21.007 17.856 ( 4.566 -4.524 -3.882) 7.509 18.478 ( 4.562 -13.078 -4.828) 14.668 18.910 ( -2.807 -5.471 12.863) 14.257 19.003 ( -2.022 -8.558 3.277) 9.385 ======================= Grid point 150 (80/125) ======================= q-point: ( 0.43 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -3.310 6.473 0.483) 7.287 1.241 ( -7.304 -3.886 -1.620) 8.431 1.575 ( -4.338 0.950 7.473) 8.693 1.732 ( -2.925 -2.710 10.031) 10.794 1.760 ( -0.334 2.785 10.622) 10.986 1.932 ( 3.347 -1.774 2.515) 4.547 2.148 ( 2.374 2.226 1.391) 3.539 2.314 ( 1.045 2.062 -2.307) 3.266 2.373 ( 1.854 1.773 -0.192) 2.572 2.461 ( 2.799 -1.492 1.986) 3.743 2.842 ( -1.290 14.087 4.399) 14.814 3.066 ( 3.974 3.720 -3.859) 6.672 3.246 ( -3.074 -4.223 9.985) 11.269 3.302 ( 3.929 -4.457 1.052) 6.034 3.466 ( -3.019 13.086 15.386) 20.423 3.623 ( 1.350 -1.799 -1.676) 2.805 3.726 ( -0.211 -6.356 4.280) 7.665 3.887 ( -4.803 5.169 -2.597) 7.519 4.123 ( -8.716 -3.479 -3.466) 10.004 4.144 ( -0.789 -14.896 3.143) 15.244 4.423 ( 2.518 5.661 1.078) 6.289 4.631 ( 3.287 -1.184 4.663) 5.827 4.884 ( 5.218 1.968 -11.842) 13.090 5.042 ( 3.980 -5.006 -12.268) 13.835 5.264 ( 2.657 6.730 -8.643) 11.272 5.273 ( 1.407 4.068 -5.691) 7.136 6.072 ( -1.314 19.420 -2.456) 19.619 6.351 ( -0.307 9.587 -0.951) 9.639 6.574 ( -0.805 18.867 0.244) 18.886 7.088 ( 3.059 3.375 -3.779) 5.919 7.230 ( -1.527 3.439 7.113) 8.047 7.406 ( -2.912 -3.632 8.004) 9.260 7.604 ( -0.202 4.183 5.576) 6.973 7.745 ( 1.601 -0.463 5.787) 6.023 7.973 ( -3.294 3.331 -3.080) 5.607 8.099 ( -5.865 -2.747 -2.888) 7.091 8.403 ( 5.745 4.515 -2.317) 7.665 8.503 ( 2.361 -2.291 0.059) 3.291 8.985 ( -4.784 -6.087 2.529) 8.145 9.202 ( -0.321 -11.634 -1.424) 11.725 9.669 ( 0.074 -5.858 -3.689) 6.923 9.998 ( -1.734 -14.486 -8.557) 16.913 10.594 ( 0.875 -0.178 2.546) 2.698 10.774 ( 3.855 -7.290 -2.777) 8.701 15.907 ( 0.616 0.155 0.366) 0.733 15.933 ( 0.529 -1.113 2.782) 3.042 16.614 ( -4.583 11.889 3.237) 13.146 16.781 ( -7.372 4.740 11.577) 14.520 17.004 ( 0.157 17.546 3.962) 17.989 17.466 ( 0.370 19.213 -6.207) 20.194 17.922 ( 3.341 -4.862 -2.145) 6.277 18.534 ( 3.474 -13.597 -4.523) 14.744 18.902 ( -4.820 -5.770 12.933) 14.960 18.993 ( -0.272 -8.284 2.326) 8.609 ======================= Grid point 151 (81/125) ======================= q-point: (-0.43 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 3.006 7.635 1.859) 8.413 1.134 ( -2.232 0.347 -1.459) 2.689 1.526 ( -5.346 1.328 10.018) 11.432 1.722 ( -2.265 -7.491 7.390) 10.763 1.783 ( -2.575 2.977 10.103) 10.842 1.956 ( -1.123 -4.752 2.491) 5.482 2.226 ( -1.580 5.414 0.334) 5.649 2.295 ( 3.217 5.601 -1.515) 6.635 2.390 ( -1.094 1.816 0.157) 2.126 2.478 ( -2.000 -4.294 0.132) 4.738 2.830 ( -1.902 11.367 4.548) 12.390 3.086 ( -0.701 3.133 -3.024) 4.411 3.228 ( -2.930 -1.729 9.448) 10.042 3.376 ( 2.768 -2.401 2.003) 4.176 3.462 ( -4.769 8.813 17.113) 19.831 3.639 ( 1.976 -2.780 -1.393) 3.685 3.794 ( 1.455 -0.234 0.279) 1.500 3.816 ( -0.664 -0.683 -2.409) 2.591 3.953 ( -5.532 -3.439 0.664) 6.548 4.209 ( 5.167 -12.949 2.761) 14.212 4.450 ( 0.462 7.497 -0.374) 7.520 4.706 ( 1.635 -1.746 3.777) 4.471 4.926 ( 4.427 2.365 -10.067) 11.249 5.051 ( 3.022 -3.850 -12.521) 13.444 5.165 ( -4.908 6.918 -8.514) 12.018 5.271 ( -0.777 2.003 -7.456) 7.760 6.057 ( 0.957 18.208 -2.097) 18.353 6.329 ( -1.198 8.915 -0.834) 9.033 6.575 ( 0.979 19.225 0.040) 19.250 7.098 ( -0.090 2.124 -6.732) 7.059 7.215 ( -2.996 5.592 9.873) 11.736 7.431 ( 0.159 -5.459 8.538) 10.135 7.623 ( -1.483 5.144 6.777) 8.637 7.793 ( -0.641 -1.263 9.279) 9.387 7.923 ( 0.243 3.721 -4.252) 5.655 8.003 ( -1.271 -0.970 -5.975) 6.185 8.466 ( 1.374 2.070 -2.164) 3.295 8.484 ( -3.907 0.327 -0.263) 3.930 8.994 ( 5.393 -2.942 1.980) 6.455 9.241 ( 4.017 -10.329 -0.485) 11.093 9.658 ( 0.573 -8.758 -2.804) 9.214 9.902 ( -3.126 -14.742 -9.060) 17.584 10.593 ( -2.175 1.190 1.871) 3.106 10.810 ( 1.072 -8.625 -2.576) 9.065 15.919 ( 0.194 0.160 -0.093) 0.268 15.946 ( -0.352 -1.409 2.398) 2.804 16.580 ( -0.764 11.175 3.726) 11.805 16.708 ( -5.542 5.431 10.286) 12.884 17.079 ( 4.798 17.405 5.383) 18.840 17.499 ( 6.602 21.300 -7.572) 23.550 17.956 ( 0.905 -8.456 -0.733) 8.536 18.553 ( 1.145 -15.447 -7.475) 17.199 18.876 ( -3.922 -3.516 12.634) 13.688 19.004 ( -0.851 -7.847 4.792) 9.234 ======================= Grid point 152 (82/125) ======================= q-point: (-0.29 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 6.747 7.990 2.569) 10.769 1.164 ( 5.254 4.109 4.726) 8.175 1.462 ( -6.673 3.747 11.729) 14.005 1.730 ( -0.124 -7.425 4.167) 8.516 1.779 ( -2.714 2.917 9.744) 10.527 1.944 ( -0.665 -3.997 0.455) 4.077 2.096 ( -7.390 3.621 -2.347) 8.558 2.303 ( -6.562 0.325 -1.701) 6.787 2.377 ( -2.178 2.475 3.134) 4.549 2.414 ( -0.191 -2.005 -2.451) 3.172 2.819 ( -1.547 4.449 3.562) 5.906 3.027 ( -3.698 -2.683 0.414) 4.588 3.230 ( -0.704 2.258 3.547) 4.263 3.412 ( -2.453 6.004 11.842) 13.502 3.469 ( -4.329 -1.284 11.302) 12.171 3.660 ( 0.791 -1.599 -0.299) 1.808 3.744 ( -2.161 0.891 -5.153) 5.659 3.833 ( 5.333 -3.184 0.270) 6.217 3.988 ( 3.538 2.332 4.856) 6.445 4.334 ( 5.618 -7.446 1.617) 9.467 4.454 ( 0.985 6.775 -2.249) 7.206 4.711 ( -2.776 -1.021 1.274) 3.221 4.939 ( -0.091 3.933 -9.479) 10.263 4.976 ( -2.818 3.806 -8.729) 9.931 5.081 ( 1.811 -2.675 -10.819) 11.291 5.180 ( -3.755 -1.905 -8.097) 9.126 6.084 ( 2.594 16.463 -1.405) 16.725 6.307 ( -0.509 8.413 -0.543) 8.446 6.613 ( 2.840 16.777 -0.061) 17.016 7.015 ( -4.331 1.924 -6.092) 7.718 7.232 ( -1.384 7.152 10.899) 13.110 7.474 ( -0.073 -5.414 7.508) 9.257 7.607 ( -3.946 4.258 7.879) 9.787 7.818 ( -2.460 -5.937 11.836) 13.468 7.926 ( 2.890 5.136 -8.075) 9.997 8.004 ( 3.630 -1.015 -3.212) 4.952 8.378 ( -4.280 -0.008 -1.767) 4.631 8.460 ( -1.224 1.901 -2.613) 3.456 9.172 ( 10.016 0.806 3.311) 10.580 9.332 ( 5.424 -4.332 -1.116) 7.031 9.653 ( -1.337 -8.628 0.406) 8.741 9.810 ( -0.405 -12.990 -9.213) 15.930 10.536 ( -4.281 1.501 1.403) 4.748 10.788 ( -1.602 -10.106 -3.370) 10.773 15.905 ( -1.310 0.789 -0.610) 1.646 15.949 ( -0.543 -1.657 1.889) 2.571 16.616 ( 1.750 9.809 6.262) 11.768 16.681 ( -2.499 6.485 10.496) 12.588 17.215 ( 6.087 18.946 2.841) 20.101 17.628 ( 10.210 21.364 -10.190) 25.778 17.964 ( 0.949 -13.385 -0.143) 13.419 18.492 ( -2.325 -16.553 -11.958) 20.552 18.888 ( -1.902 -1.787 13.529) 13.779 19.002 ( -2.506 -6.136 7.119) 9.727 ======================= Grid point 153 (83/125) ======================= q-point: (-0.14 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 6.968 5.880 2.581) 9.476 1.350 ( 6.962 8.984 10.490) 15.467 1.406 ( -4.796 6.667 12.113) 14.635 1.721 ( -2.218 -0.307 -0.578) 2.312 1.780 ( -2.255 3.165 8.954) 9.761 1.940 ( 2.011 -1.493 -5.368) 5.923 2.000 ( -1.967 -5.210 3.831) 6.759 2.128 ( -9.007 -6.017 -2.366) 11.088 2.292 ( -5.004 2.908 1.990) 6.121 2.418 ( -1.236 -1.737 0.446) 2.178 2.806 ( -1.431 -0.563 2.988) 3.361 2.966 ( -2.180 -7.756 -0.086) 8.057 3.211 ( -1.868 2.522 -2.424) 3.966 3.361 ( -8.067 -4.330 -0.156) 9.157 3.419 ( -4.513 10.188 16.932) 20.269 3.685 ( -1.364 -1.920 8.829) 9.138 3.758 ( 5.061 4.647 0.188) 6.873 3.992 ( 8.890 -5.183 3.291) 10.804 4.062 ( 2.550 9.052 -0.996) 9.457 4.397 ( -0.388 5.773 0.867) 5.851 4.478 ( 2.157 -5.455 -3.979) 7.088 4.640 ( -2.184 1.576 -2.526) 3.692 4.810 ( -5.509 6.440 -3.846) 9.307 4.951 ( 1.390 0.622 -10.062) 10.177 5.054 ( 0.388 -4.057 -10.640) 11.394 5.091 ( 0.595 -5.523 -8.481) 10.138 6.138 ( 3.241 15.358 -0.125) 15.697 6.299 ( -0.234 8.644 -1.347) 8.752 6.678 ( 3.716 11.927 -0.455) 12.500 6.891 ( -5.248 4.053 -3.918) 7.702 7.252 ( -2.580 8.105 11.332) 14.169 7.509 ( 0.135 -3.369 6.319) 7.162 7.562 ( -3.961 2.734 6.646) 8.206 7.803 ( -5.452 -10.592 11.241) 16.379 7.951 ( 3.643 4.652 -7.132) 9.262 8.088 ( 6.216 -2.694 -2.780) 7.323 8.327 ( -0.378 0.414 -0.710) 0.905 8.408 ( -2.553 0.708 -1.928) 3.277 9.353 ( 5.857 3.738 -2.327) 7.327 9.433 ( 5.268 2.364 2.455) 6.274 9.585 ( -5.448 -2.842 3.137) 6.899 9.839 ( 7.193 -15.594 -6.268) 18.281 10.451 ( -4.751 1.182 0.606) 4.933 10.726 ( -2.341 -10.854 -4.362) 11.930 15.871 ( -1.710 1.887 0.066) 2.547 15.940 ( -1.023 -1.678 0.740) 2.100 16.700 ( 1.403 8.501 10.288) 13.419 16.717 ( 1.029 7.267 11.417) 13.573 17.313 ( 3.111 22.593 -1.857) 22.881 17.720 ( 3.446 10.562 -9.233) 14.446 18.033 ( 6.742 -9.567 -4.609) 12.579 18.355 ( -3.826 -16.155 -14.674) 22.157 18.920 ( -2.416 -1.366 12.568) 12.871 18.987 ( -2.844 -4.495 10.045) 11.366 ======================= Grid point 154 (84/125) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 1.910 -1.870 8.586) 8.993 1.467 ( 1.910 1.870 8.586) 8.993 1.662 ( -4.052 -9.963 4.887) 11.814 1.662 ( -4.052 9.963 4.887) 11.814 1.813 ( -3.968 -2.820 -2.249) 5.363 1.813 ( -3.968 2.820 -2.249) 5.363 1.966 ( 6.215 -4.332 2.034) 7.844 1.966 ( 6.215 4.332 2.034) 7.844 2.297 ( -3.054 -3.741 2.555) 5.463 2.297 ( -3.054 3.741 2.555) 5.463 2.829 ( 1.461 -3.880 1.278) 4.339 2.829 ( 1.461 3.880 1.278) 4.339 3.159 ( -4.534 -1.088 -3.373) 5.755 3.159 ( -4.534 1.088 -3.373) 5.755 3.590 ( -5.273 -6.453 16.173) 18.194 3.590 ( -5.273 6.453 16.173) 18.194 4.065 ( 9.921 -7.175 2.452) 12.487 4.065 ( 9.921 7.175 2.452) 12.487 4.251 ( -5.031 -10.333 -4.649) 12.398 4.251 ( -5.031 10.333 -4.649) 12.398 4.519 ( -3.210 -7.119 -1.178) 7.898 4.519 ( -3.210 7.119 -1.178) 7.898 4.902 ( 1.900 -2.997 -7.376) 8.185 4.902 ( 1.900 2.997 -7.376) 8.185 4.998 ( 5.603 -2.995 -9.975) 11.827 4.998 ( 5.603 2.995 -9.975) 11.827 6.374 ( 1.367 -1.845 -0.419) 2.334 6.374 ( 1.367 1.845 -0.419) 2.334 6.843 ( -0.140 -2.885 -0.959) 3.043 6.843 ( -0.140 2.885 -0.959) 3.043 7.435 ( -2.780 -10.034 10.838) 15.029 7.435 ( -2.780 10.034 10.838) 15.029 7.568 ( -3.644 -2.785 6.234) 7.740 7.568 ( -3.644 2.785 6.234) 7.740 8.110 ( 6.281 -4.704 -5.672) 9.683 8.110 ( 6.281 4.704 -5.672) 9.683 8.326 ( -2.581 -1.613 -0.388) 3.068 8.326 ( -2.581 1.613 -0.388) 3.068 9.436 ( -6.500 -5.063 -1.558) 8.385 9.436 ( -6.500 5.063 -1.558) 8.385 9.710 ( 8.379 -10.409 0.255) 13.365 9.710 ( 8.379 10.409 0.255) 13.365 10.479 ( -0.569 -7.926 -2.961) 8.480 10.479 ( -0.569 7.926 -2.961) 8.480 15.890 ( -0.865 -1.739 1.106) 2.235 15.890 ( -0.865 1.739 1.106) 2.235 16.870 ( -0.566 -1.899 15.229) 15.357 16.870 ( -0.566 1.899 15.229) 15.357 17.689 ( -4.296 -12.834 -6.424) 14.981 17.689 ( -4.296 12.834 -6.424) 14.981 18.026 ( 5.985 -9.255 -12.895) 16.964 18.026 ( 5.985 9.255 -12.895) 16.964 18.921 ( -3.732 -2.716 11.089) 12.011 18.921 ( -3.732 2.716 11.089) 12.011 ======================= Grid point 156 (85/125) ======================= q-point: ( 0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -8.580 -6.696 1.803) 11.032 1.430 ( -8.580 6.696 1.803) 11.032 1.628 ( -1.445 -6.206 11.009) 12.720 1.628 ( -1.445 6.206 11.009) 12.720 1.783 ( 0.787 -3.150 -0.512) 3.287 1.783 ( 0.787 3.150 -0.512) 3.287 2.104 ( 5.382 -6.013 1.789) 8.266 2.104 ( 5.382 6.013 1.789) 8.266 2.294 ( 1.907 -1.519 1.004) 2.637 2.294 ( 1.907 1.519 1.004) 2.637 2.890 ( 3.855 -4.173 0.362) 5.692 2.890 ( 3.855 4.173 0.362) 5.692 3.102 ( 0.072 -2.042 0.862) 2.218 3.102 ( 0.072 2.042 0.862) 2.218 3.572 ( -4.116 -5.522 13.887) 15.501 3.572 ( -4.116 5.522 13.887) 15.501 4.076 ( -9.147 -10.884 -3.827) 14.723 4.076 ( -9.147 10.884 -3.827) 14.723 4.253 ( 7.157 -5.300 -0.679) 8.932 4.253 ( 7.157 5.300 -0.679) 8.932 4.426 ( -5.980 -5.973 3.681) 9.218 4.426 ( -5.980 5.973 3.681) 9.218 4.906 ( 3.976 -3.465 -13.934) 14.898 4.906 ( 3.976 3.465 -13.934) 14.898 5.118 ( 9.616 -5.138 -6.009) 12.449 5.118 ( 9.616 5.138 -6.009) 12.449 6.393 ( 0.887 -2.943 -0.891) 3.200 6.393 ( 0.887 2.943 -0.891) 3.200 6.857 ( 2.129 -6.913 -1.212) 7.334 6.857 ( 2.129 6.913 -1.212) 7.334 7.396 ( -5.963 -10.294 10.419) 15.814 7.396 ( -5.963 10.294 10.419) 15.814 7.577 ( 0.939 -1.792 5.419) 5.784 7.577 ( 0.939 1.792 5.419) 5.784 8.205 ( 4.692 -5.256 -7.069) 9.980 8.205 ( 4.692 5.256 -7.069) 9.980 8.271 ( -1.626 -1.632 2.330) 3.277 8.271 ( -1.626 1.632 2.330) 3.277 9.271 ( -9.369 -7.108 -0.370) 11.766 9.271 ( -9.369 7.108 -0.370) 11.766 9.818 ( 2.828 -10.406 -2.135) 10.992 9.818 ( 2.828 10.406 -2.135) 10.992 10.496 ( 3.571 -6.789 -2.255) 7.995 10.496 ( 3.571 6.789 -2.255) 7.995 15.887 ( -0.189 -1.061 1.534) 1.875 15.887 ( -0.189 1.061 1.534) 1.875 16.906 ( -4.103 -3.297 14.994) 15.891 16.906 ( -4.103 3.297 14.994) 15.891 17.545 ( -5.650 -17.158 -7.509) 19.563 17.545 ( -5.650 17.158 -7.509) 19.563 18.087 ( 6.052 -17.758 -10.970) 21.733 18.087 ( 6.052 17.758 -10.970) 21.733 18.899 ( -4.176 -3.489 11.156) 12.413 18.899 ( -4.176 3.489 11.156) 12.413 ======================= Grid point 158 (86/125) ======================= q-point: ( 0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -8.571 -8.238 0.539) 11.900 1.256 ( -8.571 8.238 0.539) 11.900 1.651 ( -2.594 -4.093 10.767) 11.807 1.651 ( -2.594 4.093 10.767) 11.807 1.823 ( 2.106 -3.515 2.452) 4.776 1.823 ( 2.106 3.515 2.452) 4.776 2.172 ( 1.695 -5.567 1.927) 6.131 2.172 ( 1.695 5.567 1.927) 6.131 2.369 ( 4.879 -1.358 -1.019) 5.166 2.369 ( 4.879 1.358 -1.019) 5.166 2.974 ( 4.529 -3.822 0.365) 5.938 2.974 ( 4.529 3.822 0.365) 5.938 3.160 ( 2.605 -2.425 6.364) 7.291 3.160 ( 2.605 2.425 6.364) 7.291 3.585 ( 0.197 -3.320 7.223) 7.952 3.585 ( 0.197 3.320 7.223) 7.952 3.884 ( -9.023 -13.200 0.890) 16.014 3.884 ( -9.023 13.200 0.890) 16.014 4.209 ( -7.852 -5.491 -4.305) 10.504 4.209 ( -7.852 5.491 -4.305) 10.504 4.457 ( 4.084 -5.835 6.361) 9.550 4.457 ( 4.084 5.835 6.361) 9.550 4.920 ( 4.849 -4.592 -14.213) 15.704 4.920 ( 4.849 4.592 -14.213) 15.704 5.262 ( 7.546 -2.921 -6.323) 10.270 5.262 ( 7.546 2.921 -6.323) 10.270 6.396 ( -0.036 -6.080 -1.746) 6.326 6.396 ( -0.036 6.080 -1.746) 6.326 6.904 ( 3.291 -12.168 -2.481) 12.847 6.904 ( 3.291 12.168 -2.481) 12.847 7.339 ( -4.840 -7.530 9.619) 13.139 7.339 ( -4.840 7.530 9.619) 13.139 7.636 ( 1.763 -3.091 5.949) 6.932 7.636 ( 1.763 3.091 5.949) 6.932 8.142 ( -5.073 -4.017 -1.882) 6.739 8.142 ( -5.073 4.017 -1.882) 6.739 8.360 ( 6.758 -3.013 -1.652) 7.582 8.360 ( 6.758 3.013 -1.652) 7.582 9.095 ( -8.002 -7.040 0.294) 10.662 9.095 ( -8.002 7.040 0.294) 10.662 9.806 ( -1.534 -10.659 -5.122) 11.925 9.806 ( -1.534 10.659 -5.122) 11.925 10.575 ( 4.743 -4.949 -0.991) 6.927 10.575 ( 4.743 4.949 -0.991) 6.927 15.898 ( 0.356 -0.150 1.814) 1.855 15.898 ( 0.356 0.150 1.814) 1.855 16.861 ( -6.935 -4.210 11.208) 13.836 16.861 ( -6.935 4.210 11.208) 13.836 17.426 ( -3.417 -18.111 -2.917) 18.660 17.426 ( -3.417 18.111 -2.917) 18.660 18.143 ( 5.092 -20.121 -10.191) 23.123 18.143 ( 5.092 20.121 -10.191) 23.123 18.879 ( -3.613 -2.614 11.036) 11.903 18.879 ( -3.613 2.614 11.036) 11.903 ======================= Grid point 160 (87/125) ======================= q-point: ( 0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -3.781 -7.053 -0.379) 8.012 1.132 ( -3.781 7.053 -0.379) 8.012 1.627 ( -4.763 -4.527 8.372) 10.643 1.627 ( -4.763 4.527 8.372) 10.643 1.861 ( -0.618 -4.797 5.668) 7.452 1.861 ( -0.618 4.797 5.668) 7.452 2.245 ( 4.831 -6.040 3.131) 8.344 2.245 ( 4.831 6.040 3.131) 8.344 2.429 ( 1.225 -2.405 -2.120) 3.432 2.429 ( 1.225 2.405 -2.120) 3.432 3.047 ( 0.572 -6.034 4.431) 7.508 3.047 ( 0.572 6.034 4.431) 7.508 3.227 ( 1.655 -2.306 4.252) 5.113 3.227 ( 1.655 2.306 4.252) 5.113 3.627 ( 0.155 -2.652 -0.443) 2.693 3.627 ( 0.155 2.652 -0.443) 2.693 3.795 ( -0.356 -17.366 8.829) 19.485 3.795 ( -0.356 17.366 8.829) 19.485 4.019 ( -8.635 -6.137 -3.552) 11.173 4.019 ( -8.635 6.137 -3.552) 11.173 4.553 ( 2.896 -5.965 3.668) 7.578 4.553 ( 2.896 5.965 3.668) 7.578 4.949 ( 5.030 -4.142 -12.421) 14.026 4.949 ( 5.030 4.142 -12.421) 14.026 5.324 ( 2.094 -0.390 -7.374) 7.676 5.324 ( 2.094 0.390 -7.374) 7.676 6.374 ( -1.029 -7.958 -2.325) 8.354 6.374 ( -1.029 7.958 -2.325) 8.354 6.944 ( 2.237 -15.692 -3.890) 16.321 6.944 ( 2.237 15.692 -3.890) 16.321 7.312 ( -2.978 -5.090 9.784) 11.424 7.312 ( -2.978 5.090 9.784) 11.424 7.697 ( 0.919 -4.219 6.708) 7.977 7.697 ( 0.919 4.219 6.708) 7.977 8.037 ( -4.150 -3.142 -2.019) 5.583 8.037 ( -4.150 3.142 -2.019) 5.583 8.467 ( 4.137 -2.060 -0.850) 4.699 8.467 ( 4.137 2.060 -0.850) 4.699 8.992 ( -1.925 -7.123 0.433) 7.392 8.992 ( -1.925 7.123 0.433) 7.392 9.731 ( -2.417 -10.154 -7.037) 12.589 9.731 ( -2.417 10.154 -7.037) 12.589 10.646 ( 2.564 -4.871 -0.432) 5.522 10.646 ( 2.564 4.871 -0.432) 5.522 15.915 ( 0.374 -0.651 1.711) 1.868 15.915 ( 0.374 0.651 1.711) 1.868 16.778 ( -5.984 -4.377 8.240) 11.084 16.778 ( -5.984 4.377 8.240) 11.084 17.391 ( 0.401 -17.785 1.229) 17.832 17.391 ( 0.401 17.785 1.229) 17.832 18.177 ( 3.530 -20.959 -10.123) 23.541 18.177 ( 3.530 20.959 -10.123) 23.541 18.871 ( -2.884 -2.712 10.977) 11.669 18.871 ( -2.884 2.712 10.977) 11.669 ======================= Grid point 162 (88/125) ======================= q-point: (-0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 2.181 -3.705 -0.117) 4.301 1.115 ( 2.181 3.705 -0.117) 4.301 1.575 ( -4.141 -5.011 7.940) 10.262 1.575 ( -4.141 5.011 7.940) 10.262 1.863 ( -2.366 -4.389 7.441) 8.957 1.863 ( -2.366 4.389 7.441) 8.957 2.350 ( 1.679 -5.039 0.116) 5.312 2.350 ( 1.679 5.039 0.116) 5.312 2.388 ( -2.364 -1.293 -1.127) 2.921 2.388 ( -2.365 1.293 -1.127) 2.921 3.014 ( -5.667 -7.133 5.199) 10.489 3.014 ( -5.667 7.133 5.199) 10.489 3.292 ( 3.035 -4.889 2.321) 6.205 3.292 ( 3.035 4.889 2.321) 6.205 3.602 ( -3.048 -2.401 7.435) 8.387 3.602 ( -3.048 2.401 7.435) 8.387 3.829 ( -4.610 -2.256 -1.918) 5.479 3.829 ( -4.610 2.256 -1.918) 5.479 3.956 ( 7.309 -8.394 2.048) 11.317 3.956 ( 7.309 8.394 2.048) 11.317 4.606 ( 1.203 -7.207 1.722) 7.507 4.606 ( 1.203 7.207 1.722) 7.507 4.981 ( 4.068 -3.020 -10.553) 11.706 4.981 ( 4.068 3.020 -10.553) 11.706 5.266 ( -3.665 -2.658 -8.636) 9.751 5.266 ( -3.665 2.658 -8.636) 9.751 6.342 ( -0.842 -7.884 -1.930) 8.160 6.342 ( -0.842 7.884 -1.930) 8.160 6.946 ( 0.054 -15.371 -3.890) 15.855 6.946 ( 0.054 15.371 -3.890) 15.855 7.322 ( -1.201 -5.134 9.728) 11.065 7.322 ( -1.201 5.134 9.728) 11.065 7.725 ( -2.401 -4.795 9.113) 10.574 7.725 ( -2.401 4.795 9.113) 10.574 7.979 ( 0.098 -1.751 -4.351) 4.691 7.979 ( 0.098 1.751 -4.351) 4.691 8.487 ( -1.529 -1.663 -0.823) 2.404 8.487 ( -1.529 1.663 -0.823) 2.404 9.049 ( 7.176 -7.536 0.951) 10.449 9.049 ( 7.176 7.536 0.951) 10.449 9.657 ( -1.294 -7.782 -7.220) 10.694 9.657 ( -1.294 7.782 -7.220) 10.694 10.662 ( -0.722 -5.597 -0.615) 5.676 10.662 ( -0.722 5.597 -0.615) 5.676 15.926 ( -0.114 -0.604 1.304) 1.442 15.926 ( -0.114 0.604 1.304) 1.442 16.728 ( -3.350 -3.309 8.224) 9.476 16.728 ( -3.350 3.309 8.224) 9.476 17.455 ( 5.196 -17.562 1.971) 18.420 17.455 ( 5.196 17.562 1.971) 18.420 18.169 ( 1.140 -21.432 -11.122) 24.173 18.169 ( 1.140 21.432 -11.122) 24.173 18.880 ( -2.075 -3.615 11.289) 12.034 18.880 ( -2.075 3.615 11.289) 12.034 ======================= Grid point 164 (89/125) ======================= q-point: (-0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 6.031 -2.174 3.186) 7.159 1.208 ( 6.031 2.174 3.186) 7.159 1.564 ( -0.775 -7.441 7.668) 10.713 1.564 ( -0.775 7.441 7.668) 10.713 1.854 ( -2.142 -4.231 7.238) 8.653 1.854 ( -2.142 4.231 7.238) 8.653 2.213 ( -8.959 -6.803 -5.187) 12.387 2.213 ( -8.959 6.803 -5.187) 12.387 2.407 ( -0.788 -0.824 1.614) 1.976 2.407 ( -0.788 0.824 1.614) 1.976 2.919 ( -5.794 -5.695 3.027) 8.670 2.919 ( -5.794 5.695 3.027) 8.670 3.333 ( -0.903 -6.033 2.584) 6.625 3.333 ( -0.903 6.033 2.584) 6.625 3.597 ( -3.069 -5.627 13.158) 14.637 3.597 ( -3.069 5.627 13.158) 14.637 3.771 ( 1.809 -2.165 -3.683) 4.640 3.771 ( 1.809 2.165 -3.683) 4.640 4.133 ( 8.791 -10.359 0.492) 13.595 4.133 ( 8.791 10.359 0.492) 13.595 4.615 ( -0.798 -7.417 0.046) 7.460 4.615 ( -0.798 7.417 0.046) 7.460 4.991 ( 2.357 -1.787 -10.631) 11.034 4.991 ( 2.357 1.787 -10.631) 11.034 5.116 ( -6.454 -4.136 -8.223) 11.242 5.116 ( -6.454 4.136 -8.223) 11.242 6.331 ( 0.508 -6.384 -1.016) 6.484 6.331 ( 0.508 6.384 -1.016) 6.484 6.913 ( -1.531 -11.301 -2.727) 11.725 6.913 ( -1.531 11.301 -2.727) 11.725 7.359 ( -0.099 -5.728 9.314) 10.935 7.359 ( -0.099 5.728 9.314) 10.935 7.697 ( -5.395 -5.202 10.731) 13.089 7.697 ( -5.395 5.202 10.731) 13.089 7.989 ( 3.241 -1.087 -5.955) 6.867 7.989 ( 3.241 1.087 -5.955) 6.867 8.429 ( -2.937 -3.988 -1.743) 5.251 8.429 ( -2.937 3.988 -1.743) 5.251 9.246 ( 11.501 -5.034 1.535) 12.648 9.246 ( 11.501 5.034 1.535) 12.648 9.607 ( -0.613 -5.128 -5.727) 7.712 9.607 ( -0.613 5.128 -5.727) 7.712 10.616 ( -3.267 -6.463 -1.335) 7.364 10.616 ( -3.267 6.463 -1.335) 7.364 15.922 ( -0.809 -1.039 0.919) 1.606 15.922 ( -0.809 1.039 0.919) 1.606 16.734 ( -0.797 -1.615 10.110) 10.269 16.734 ( -0.797 1.615 10.110) 10.269 17.594 ( 7.641 -17.916 0.645) 19.488 17.594 ( 7.641 17.916 0.645) 19.488 18.109 ( -0.793 -20.737 -13.042) 24.510 18.109 ( -0.793 20.737 -13.042) 24.510 18.903 ( -1.633 -3.168 11.477) 12.018 18.903 ( -1.633 3.168 11.477) 12.018 ======================= Grid point 166 (90/125) ======================= q-point: (-0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 5.124 -4.615 7.699) 10.336 1.351 ( 5.124 4.615 7.699) 10.336 1.625 ( 3.013 -9.915 5.545) 11.753 1.625 ( 3.013 9.915 5.545) 11.753 1.865 ( 0.026 -5.045 5.699) 7.611 1.865 ( 0.026 5.045 5.699) 7.611 1.999 ( -9.380 -5.481 -4.979) 11.951 1.999 ( -9.380 5.481 -4.979) 11.951 2.364 ( -4.009 -3.551 1.621) 5.595 2.364 ( -4.009 3.551 1.621) 5.595 2.837 ( -3.174 -4.122 1.631) 5.452 2.837 ( -3.174 4.122 1.631) 5.452 3.273 ( -4.884 -3.570 -1.866) 6.331 3.273 ( -4.884 3.570 -1.866) 6.331 3.603 ( -4.215 -6.505 15.835) 17.631 3.603 ( -4.215 6.505 15.835) 17.631 3.871 ( 8.417 -6.165 0.612) 10.452 3.871 ( 8.417 6.165 0.612) 10.452 4.272 ( 4.860 -10.496 -2.354) 11.804 4.272 ( 4.860 10.496 -2.354) 11.804 4.577 ( -2.343 -6.827 -1.883) 7.459 4.577 ( -2.343 6.827 -1.883) 7.459 4.945 ( -2.933 -6.615 -6.200) 9.529 4.945 ( -2.933 6.615 -6.200) 9.529 4.995 ( 0.811 -3.258 -11.126) 11.622 4.995 ( 0.811 3.258 -11.126) 11.622 6.348 ( 1.434 -4.323 -0.423) 4.574 6.348 ( 1.434 4.323 -0.423) 4.574 6.869 ( -1.665 -6.006 -1.569) 6.427 6.869 ( -1.665 6.006 -1.569) 6.427 7.406 ( -0.133 -6.706 9.320) 11.483 7.406 ( -0.133 6.706 9.320) 11.483 7.634 ( -6.310 -5.224 9.627) 12.640 7.634 ( -6.310 5.224 9.627) 12.640 8.034 ( 4.540 -3.075 -5.931) 8.077 8.034 ( 4.540 3.075 -5.931) 8.077 8.373 ( -2.009 -3.399 -1.603) 4.262 8.373 ( -2.009 3.399 -1.603) 4.262 9.470 ( 8.587 -2.350 0.292) 8.908 9.470 ( 8.587 2.350 0.292) 8.908 9.571 ( 0.470 -6.871 -2.471) 7.317 9.571 ( 0.470 6.871 -2.471) 7.317 10.537 ( -3.460 -7.211 -2.339) 8.334 10.537 ( -3.460 7.211 -2.339) 8.334 15.906 ( -1.166 -1.666 0.835) 2.198 15.906 ( -1.166 1.666 0.835) 2.198 16.794 ( 0.573 -0.312 12.893) 12.909 16.794 ( 0.573 0.312 12.893) 12.909 17.718 ( 3.914 -15.522 -1.304) 16.060 17.718 ( 3.914 15.522 -1.304) 16.060 18.027 ( 0.791 -13.910 -15.157) 20.588 18.027 ( 0.791 13.910 -15.157) 20.588 18.924 ( -2.361 -1.695 11.246) 11.616 18.924 ( -2.361 1.695 11.246) 11.616 ======================= Grid point 189 (91/125) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 1.651 0.000 10.841) 10.966 1.005 ( 0.560 0.000 14.972) 14.983 1.309 ( 2.364 0.000 -6.508) 6.924 1.397 ( 0.395 0.000 -12.923) 12.929 1.751 ( 0.493 0.000 11.706) 11.716 1.922 ( -2.209 0.000 5.214) 5.663 2.208 ( -1.762 0.000 3.391) 3.821 2.248 ( -3.867 0.000 4.433) 5.882 2.377 ( 1.364 0.000 -4.260) 4.473 2.429 ( 0.786 0.000 -3.387) 3.477 2.678 ( 1.626 0.000 -0.108) 1.630 3.089 ( -5.494 0.000 -3.701) 6.625 3.294 ( -7.620 0.000 9.238) 11.976 3.404 ( 3.794 0.000 -4.328) 5.756 3.479 ( 1.416 0.000 -0.454) 1.487 3.686 ( 2.144 0.000 -0.638) 2.237 3.699 ( 3.148 0.000 2.924) 4.296 3.890 ( -1.814 0.000 -4.530) 4.880 4.081 ( 0.807 0.000 4.703) 4.772 4.135 ( -1.831 0.000 0.339) 1.862 4.420 ( -3.792 0.000 8.141) 8.981 4.644 ( 5.865 0.000 -13.997) 15.176 4.715 ( -0.042 0.000 7.927) 7.927 4.829 ( -1.348 0.000 2.149) 2.536 5.076 ( 2.635 0.000 -8.783) 9.170 5.080 ( 0.070 0.000 -4.229) 4.230 5.380 ( 1.350 0.000 0.206) 1.366 5.512 ( -0.154 0.000 0.028) 0.156 6.109 ( -2.877 0.000 0.973) 3.038 6.195 ( 2.426 0.000 -2.104) 3.211 7.120 ( -2.615 0.000 9.144) 9.511 7.297 ( 0.328 0.000 -3.795) 3.809 7.677 ( 2.637 0.000 -3.927) 4.731 7.745 ( -0.059 0.000 3.552) 3.553 8.100 ( -0.952 0.000 -0.031) 0.952 8.182 ( -6.354 0.000 2.753) 6.925 8.316 ( 4.423 0.000 -2.624) 5.142 8.818 ( -3.637 0.000 -0.461) 3.666 9.303 ( 0.494 0.000 -0.448) 0.667 9.476 ( 3.575 0.000 0.082) 3.576 10.041 ( 6.613 0.000 10.896) 12.745 10.399 ( -2.196 0.000 -6.359) 6.728 10.576 ( 1.929 0.000 1.282) 2.316 11.043 ( -2.239 0.000 -2.423) 3.299 15.588 ( 0.129 0.000 3.176) 3.178 15.847 ( -0.432 0.000 -3.817) 3.841 16.315 ( 0.476 0.000 0.432) 0.643 16.423 ( -0.210 0.000 0.236) 0.316 16.446 ( 0.341 0.000 3.687) 3.703 17.329 ( -5.785 0.000 4.661) 7.429 18.003 ( -2.486 0.000 -2.411) 3.463 18.595 ( 3.797 0.000 -4.952) 6.240 19.308 ( -3.952 0.000 9.587) 10.369 19.445 ( 3.495 0.000 -3.542) 4.975 ======================= Grid point 190 (92/125) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 4.828 0.000 2.209) 5.309 1.143 ( 6.826 0.000 8.229) 10.692 1.349 ( 5.311 0.000 -7.404) 9.112 1.386 ( 4.377 0.000 -9.156) 10.148 1.804 ( -0.157 0.000 5.653) 5.655 1.951 ( 1.828 0.000 6.199) 6.463 2.173 ( -4.747 0.000 4.811) 6.759 2.208 ( -2.527 0.000 7.581) 7.991 2.352 ( -2.674 0.000 -2.408) 3.599 2.386 ( -4.811 0.000 -2.700) 5.517 2.537 ( -8.137 0.000 -0.749) 8.172 3.093 ( -7.373 0.000 1.570) 7.538 3.241 ( -1.606 0.000 9.620) 9.754 3.346 ( 3.519 0.000 0.617) 3.572 3.476 ( 3.323 0.000 -1.758) 3.759 3.763 ( 2.179 0.000 1.761) 2.802 3.843 ( -0.113 0.000 -4.657) 4.658 3.961 ( 16.814 0.000 -3.537) 17.182 4.076 ( -2.103 0.000 2.206) 3.048 4.141 ( 0.896 0.000 1.956) 2.151 4.375 ( -5.101 0.000 9.659) 10.923 4.664 ( 3.812 0.000 -15.048) 15.523 4.720 ( -2.664 0.000 4.569) 5.289 4.839 ( 0.713 0.000 2.421) 2.524 5.041 ( -1.945 0.000 -2.888) 3.482 5.081 ( 2.579 0.000 -8.977) 9.340 5.352 ( -2.896 0.000 -1.523) 3.272 5.549 ( 3.000 0.000 -0.573) 3.055 5.988 ( -7.633 0.000 1.959) 7.881 6.279 ( 4.806 0.000 -1.590) 5.062 7.096 ( -4.378 0.000 9.284) 10.264 7.282 ( 0.063 0.000 -3.728) 3.729 7.721 ( 4.008 0.000 -5.480) 6.789 7.775 ( 1.312 0.000 2.112) 2.486 7.983 ( -12.416 0.000 5.513) 13.585 8.092 ( -0.316 0.000 1.722) 1.751 8.353 ( 0.076 0.000 -1.074) 1.076 8.849 ( -0.191 0.000 0.985) 1.003 9.290 ( 2.396 0.000 1.765) 2.976 9.534 ( 1.856 0.000 -3.790) 4.220 10.161 ( 3.789 0.000 -8.549) 9.351 10.326 ( 0.112 0.000 -0.343) 0.361 10.713 ( 9.828 0.000 -2.558) 10.155 11.028 ( 0.386 0.000 3.314) 3.337 15.625 ( 2.316 0.000 1.520) 2.770 15.842 ( 1.188 0.000 -1.246) 1.722 16.286 ( -2.981 0.000 -0.558) 3.033 16.410 ( -4.845 0.000 1.752) 5.152 16.418 ( -0.641 0.000 0.371) 0.740 17.174 ( -13.239 0.000 11.338) 17.430 18.028 ( 4.372 0.000 3.842) 5.820 18.679 ( 7.410 0.000 -8.002) 10.907 19.282 ( -3.215 0.000 7.838) 8.472 19.474 ( 1.369 0.000 -3.939) 4.170 ======================= Grid point 191 (93/125) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 5.499 0.000 -3.881) 6.730 1.317 ( 9.608 0.000 -4.916) 10.792 1.413 ( 3.899 0.000 -7.600) 8.542 1.483 ( 6.960 0.000 2.678) 7.457 1.819 ( -1.483 0.000 6.814) 6.973 2.003 ( 0.181 0.000 4.176) 4.180 2.015 ( -13.002 0.000 4.541) 13.772 2.222 ( -2.989 0.000 10.046) 10.481 2.279 ( -3.496 0.000 3.421) 4.892 2.303 ( 2.262 0.000 -0.868) 2.423 2.475 ( -0.155 0.000 -1.531) 1.539 2.818 ( -14.357 0.000 -4.791) 15.135 3.309 ( 2.303 0.000 8.189) 8.507 3.480 ( -1.469 0.000 -1.966) 2.454 3.583 ( 12.697 0.000 6.919) 14.460 3.783 ( -2.723 0.000 8.687) 9.104 3.866 ( 6.151 0.000 -11.240) 12.813 4.040 ( -2.897 0.000 2.576) 3.877 4.179 ( 2.668 0.000 0.606) 2.736 4.214 ( 11.008 0.000 -5.858) 12.470 4.331 ( -4.580 0.000 10.587) 11.535 4.640 ( 1.476 0.000 -14.434) 14.510 4.668 ( -4.142 0.000 2.642) 4.913 4.868 ( 0.711 0.000 3.278) 3.355 4.977 ( -3.307 0.000 -2.548) 4.175 5.085 ( 2.839 0.000 -9.881) 10.281 5.294 ( -2.030 0.000 -0.120) 2.033 5.585 ( 1.151 0.000 -2.628) 2.869 5.866 ( -5.451 0.000 2.182) 5.872 6.350 ( 3.018 0.000 -0.814) 3.126 7.058 ( -4.109 0.000 9.103) 9.987 7.260 ( 0.066 0.000 -5.134) 5.134 7.760 ( -5.773 0.000 4.849) 7.540 7.766 ( 2.960 0.000 -4.183) 5.124 7.874 ( 0.732 0.000 2.441) 2.549 8.105 ( 0.523 0.000 2.088) 2.153 8.296 ( -6.985 0.000 -1.144) 7.078 8.735 ( -5.789 0.000 -5.015) 7.659 9.379 ( -0.762 0.000 4.948) 5.006 9.543 ( 2.935 0.000 -2.050) 3.581 10.231 ( 8.922 0.000 -6.496) 11.037 10.362 ( 4.117 0.000 -4.530) 6.121 10.849 ( 5.727 0.000 -7.368) 9.332 11.077 ( 1.303 0.000 7.162) 7.279 15.688 ( 3.591 0.000 0.130) 3.593 15.868 ( 1.103 0.000 0.683) 1.297 16.221 ( -2.579 0.000 -0.540) 2.635 16.317 ( -4.914 0.000 1.876) 5.261 16.392 ( -2.233 0.000 -0.148) 2.238 16.959 ( -13.225 0.000 9.599) 16.341 18.185 ( 6.961 0.000 10.104) 12.270 18.776 ( 6.664 0.000 -9.348) 11.480 19.265 ( -2.164 0.000 6.295) 6.657 19.463 ( -0.425 0.000 -2.911) 2.942 ======================= Grid point 192 (94/125) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 1.932 0.000 -1.965) 2.756 1.381 ( -3.217 0.000 -5.718) 6.561 1.460 ( 6.301 0.000 -6.888) 9.335 1.569 ( -2.738 0.000 4.127) 4.953 1.818 ( -2.420 0.000 9.578) 9.879 1.887 ( 1.438 0.000 7.484) 7.621 2.013 ( -0.717 0.000 2.831) 2.920 2.219 ( -0.553 0.000 7.035) 7.056 2.259 ( -1.078 0.000 2.598) 2.813 2.398 ( 4.781 0.000 -0.170) 4.784 2.443 ( -4.704 0.000 0.318) 4.715 2.586 ( -3.384 0.000 -8.163) 8.837 3.346 ( -0.726 0.000 0.673) 0.990 3.462 ( -0.756 0.000 5.295) 5.348 3.766 ( -2.867 0.000 7.186) 7.737 3.831 ( 8.233 0.000 6.579) 10.539 3.897 ( 0.246 0.000 -6.892) 6.897 4.016 ( 0.762 0.000 0.239) 0.798 4.247 ( 3.731 0.000 -0.064) 3.731 4.309 ( 1.816 0.000 -6.670) 6.913 4.312 ( -1.941 0.000 8.569) 8.786 4.579 ( -0.796 0.000 -11.778) 11.805 4.603 ( -4.278 0.000 5.000) 6.581 4.900 ( 0.702 0.000 3.665) 3.732 4.905 ( -1.291 0.000 -3.995) 4.198 5.091 ( 3.259 0.000 -11.510) 11.963 5.281 ( 0.243 0.000 0.909) 0.941 5.571 ( -0.782 0.000 -2.295) 2.425 5.810 ( -1.237 0.000 0.976) 1.575 6.387 ( 1.157 0.000 -0.518) 1.267 7.035 ( -2.793 0.000 8.916) 9.344 7.239 ( 1.040 0.000 -6.546) 6.628 7.715 ( -1.054 0.000 8.121) 8.189 7.786 ( 0.350 0.000 -1.454) 1.496 7.930 ( 3.120 0.000 0.822) 3.226 8.074 ( -11.713 0.000 -5.434) 12.912 8.128 ( 1.023 0.000 0.720) 1.251 8.669 ( -0.423 0.000 -1.248) 1.318 9.321 ( -3.544 0.000 1.005) 3.684 9.598 ( 1.851 0.000 -0.422) 1.899 10.332 ( 2.033 0.000 -2.054) 2.889 10.478 ( 8.563 0.000 -3.803) 9.369 10.857 ( -1.461 0.000 -5.296) 5.494 11.133 ( 1.863 0.000 3.132) 3.644 15.748 ( 1.096 0.000 1.413) 1.788 15.879 ( 0.766 0.000 -1.100) 1.340 16.205 ( 0.848 0.000 0.259) 0.886 16.251 ( -2.941 0.000 2.998) 4.199 16.337 ( -2.750 0.000 -0.462) 2.789 16.806 ( -5.772 0.000 6.275) 8.526 18.356 ( 4.101 0.000 11.527) 12.235 18.827 ( 3.497 0.000 -11.045) 11.586 19.261 ( -1.615 0.000 6.544) 6.740 19.438 ( -0.719 0.000 -1.974) 2.101 ======================= Grid point 193 (95/125) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -10.700 0.000 6.251) 12.392 1.322 ( -13.699 0.000 6.645) 15.225 1.344 ( 0.357 0.000 -0.890) 0.959 1.649 ( 5.893 0.000 -3.951) 7.095 1.814 ( -3.823 0.000 9.789) 10.509 2.009 ( 4.768 0.000 -1.716) 5.067 2.009 ( -1.273 0.000 3.872) 4.076 2.246 ( 0.580 0.000 -1.907) 1.993 2.255 ( 1.212 0.000 2.448) 2.732 2.416 ( 3.255 0.000 8.375) 8.985 2.435 ( -0.081 0.000 -3.517) 3.518 2.572 ( 4.540 0.000 -8.787) 9.890 3.361 ( 3.446 0.000 -2.405) 4.202 3.461 ( -3.400 0.000 8.932) 9.557 3.737 ( -4.709 0.000 5.257) 7.058 3.848 ( -0.675 0.000 -1.166) 1.347 3.919 ( -2.036 0.000 -0.965) 2.253 4.037 ( -0.157 0.000 1.906) 1.913 4.243 ( -5.083 0.000 -1.489) 5.297 4.294 ( 0.387 0.000 2.791) 2.818 4.369 ( 5.968 0.000 -3.666) 7.004 4.496 ( -2.748 0.000 -6.171) 6.755 4.557 ( -3.589 0.000 8.803) 9.507 4.917 ( 4.539 0.000 -4.326) 6.270 4.928 ( 0.224 0.000 2.903) 2.912 5.090 ( 2.946 0.000 -13.116) 13.442 5.296 ( 0.832 0.000 -0.526) 0.984 5.549 ( -0.705 0.000 -0.073) 0.708 5.823 ( 2.464 0.000 -0.408) 2.497 6.388 ( -0.776 0.000 -0.629) 0.998 7.041 ( -1.317 0.000 8.723) 8.822 7.240 ( 2.726 0.000 -7.050) 7.559 7.764 ( -2.229 0.000 0.657) 2.324 7.793 ( 2.489 0.000 9.518) 9.838 7.868 ( -5.390 0.000 -4.529) 7.040 8.020 ( 7.005 0.000 2.634) 7.484 8.146 ( 0.730 0.000 -0.989) 1.229 8.648 ( -2.271 0.000 0.372) 2.301 9.319 ( 2.959 0.000 1.306) 3.234 9.603 ( -0.781 0.000 -0.892) 1.186 10.330 ( -0.588 0.000 -1.537) 1.646 10.501 ( -6.569 0.000 -6.848) 9.489 10.773 ( -4.343 0.000 3.202) 5.396 11.187 ( 2.974 0.000 -2.132) 3.659 15.716 ( -4.689 0.000 3.442) 5.817 15.920 ( 3.930 0.000 -4.038) 5.635 16.210 ( -1.079 0.000 -0.303) 1.121 16.239 ( -0.164 0.000 4.123) 4.126 16.323 ( 1.895 0.000 0.949) 2.119 16.821 ( 4.633 0.000 4.845) 6.704 18.438 ( -0.905 0.000 7.105) 7.162 18.791 ( -1.190 0.000 -11.567) 11.628 19.272 ( -0.992 0.000 7.823) 7.885 19.415 ( -0.758 0.000 -1.608) 1.778 ======================= Grid point 194 (96/125) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -9.542 0.000 13.272) 16.347 1.109 ( -12.295 0.000 11.781) 17.028 1.336 ( -1.171 0.000 0.941) 1.502 1.631 ( -3.932 0.000 -7.972) 8.889 1.761 ( -6.743 0.000 11.802) 13.593 1.995 ( -3.045 0.000 6.521) 7.196 2.117 ( 9.041 0.000 -4.432) 10.068 2.268 ( 1.638 0.000 1.726) 2.379 2.283 ( 0.969 0.000 -0.049) 0.970 2.395 ( -0.271 0.000 -6.778) 6.784 2.520 ( 3.028 0.000 -3.393) 4.548 2.752 ( 16.771 0.000 0.948) 16.798 3.389 ( -2.253 0.000 0.207) 2.263 3.477 ( 3.684 0.000 2.448) 4.423 3.629 ( -8.039 0.000 6.519) 10.350 3.738 ( -12.517 0.000 -8.447) 15.100 3.887 ( 3.667 0.000 0.263) 3.677 4.028 ( -2.673 0.000 6.718) 7.230 4.114 ( -9.510 0.000 3.759) 10.226 4.276 ( -1.925 0.000 -6.039) 6.338 4.430 ( -1.053 0.000 2.195) 2.435 4.484 ( 6.871 0.000 -6.450) 9.424 4.574 ( 0.187 0.000 10.578) 10.579 4.925 ( -1.953 0.000 1.562) 2.501 5.004 ( 5.560 0.000 -3.564) 6.604 5.076 ( 2.588 0.000 -12.414) 12.681 5.305 ( 0.924 0.000 -1.445) 1.715 5.542 ( -0.560 0.000 1.582) 1.679 5.902 ( 5.917 0.000 -1.321) 6.063 6.349 ( -2.963 0.000 -0.719) 3.049 7.069 ( -0.399 0.000 8.494) 8.504 7.269 ( 3.609 0.000 -6.631) 7.549 7.714 ( -3.121 0.000 1.099) 3.309 7.769 ( -3.652 0.000 5.197) 6.352 7.912 ( 7.080 0.000 -3.371) 7.841 8.144 ( -0.144 0.000 -1.867) 1.873 8.261 ( 12.678 0.000 4.368) 13.410 8.611 ( -0.319 0.000 5.952) 5.960 9.410 ( 3.936 0.000 2.119) 4.470 9.558 ( -3.623 0.000 -3.009) 4.709 10.179 ( -19.012 0.000 -3.150) 19.271 10.325 ( 0.579 0.000 -0.584) 0.823 10.726 ( -4.175 0.000 5.442) 6.859 11.199 ( -0.323 0.000 -5.094) 5.104 15.640 ( -4.494 0.000 3.810) 5.892 15.942 ( 0.256 0.000 -5.581) 5.587 16.209 ( 1.741 0.000 0.791) 1.912 16.284 ( 2.373 0.000 4.924) 5.466 16.380 ( 2.596 0.000 0.975) 2.773 17.023 ( 12.997 0.000 3.279) 13.404 18.374 ( -6.984 0.000 -3.658) 7.884 18.685 ( -4.226 0.000 -5.701) 7.096 19.301 ( -0.416 0.000 8.587) 8.597 19.393 ( -0.682 0.000 -1.069) 1.268 ======================= Grid point 195 (97/125) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -4.146 0.000 15.458) 16.005 0.987 ( -6.931 0.000 15.604) 17.074 1.316 ( -0.282 0.000 -2.740) 2.755 1.494 ( -3.601 0.000 -11.819) 12.355 1.713 ( -4.059 0.000 14.215) 14.783 1.958 ( -3.882 0.000 6.324) 7.421 2.211 ( 0.473 0.000 2.093) 2.145 2.285 ( -1.018 0.000 0.538) 1.151 2.372 ( 7.520 0.000 -2.526) 7.933 2.374 ( 1.099 0.000 -5.258) 5.371 2.563 ( 5.130 0.000 -3.161) 6.026 3.120 ( 18.154 0.000 -0.958) 18.179 3.344 ( -1.587 0.000 0.930) 1.839 3.418 ( -13.749 0.000 -6.699) 15.294 3.464 ( -6.305 0.000 -0.473) 6.322 3.611 ( 2.900 0.000 6.934) 7.516 3.899 ( -13.901 0.000 2.519) 14.127 3.935 ( 0.581 0.000 -3.885) 3.928 4.029 ( -0.299 0.000 8.885) 8.890 4.192 ( -2.643 0.000 -5.293) 5.916 4.433 ( -1.804 0.000 7.637) 7.847 4.581 ( 7.275 0.000 -11.507) 13.614 4.650 ( 1.563 0.000 10.084) 10.204 4.873 ( -3.516 0.000 1.102) 3.685 5.071 ( 2.626 0.000 -9.757) 10.104 5.072 ( 3.049 0.000 -4.002) 5.031 5.331 ( 2.301 0.000 0.131) 2.305 5.533 ( -1.259 0.000 0.925) 1.562 6.026 ( 7.143 0.000 -1.539) 7.307 6.268 ( -4.922 0.000 -0.545) 4.953 7.104 ( -0.673 0.000 8.595) 8.621 7.298 ( 2.160 0.000 -5.318) 5.740 7.671 ( -0.950 0.000 -0.681) 1.169 7.743 ( -1.904 0.000 5.054) 5.401 8.075 ( 11.143 0.000 -4.005) 11.841 8.124 ( -0.894 0.000 -1.530) 1.772 8.347 ( -2.737 0.000 -0.781) 2.846 8.817 ( 11.417 0.000 5.730) 12.774 9.357 ( -11.403 0.000 -5.589) 12.699 9.460 ( -1.071 0.000 3.562) 3.719 9.935 ( -4.971 0.000 12.363) 13.325 10.371 ( 4.611 0.000 -3.476) 5.775 10.645 ( -6.524 0.000 3.854) 7.577 11.127 ( -3.500 0.000 -5.727) 6.712 15.591 ( -2.393 0.000 3.883) 4.561 15.893 ( -1.570 0.000 -5.394) 5.617 16.270 ( 3.164 0.000 1.125) 3.358 16.374 ( 3.743 0.000 5.150) 6.367 16.418 ( 0.857 0.000 0.372) 0.934 17.280 ( 9.724 0.000 0.705) 9.750 18.159 ( -9.876 0.000 -8.038) 12.734 18.599 ( -2.272 0.000 -1.680) 2.825 19.327 ( -2.774 0.000 10.901) 11.248 19.394 ( 2.520 0.000 -3.046) 3.954 ======================= Grid point 196 (98/125) ======================= q-point: ( 0.00 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -1.320 5.637 9.469) 11.098 1.196 ( 2.473 13.150 8.805) 16.018 1.318 ( 3.285 2.166 -2.060) 4.442 1.471 ( -0.992 7.300 -11.149) 13.363 1.805 ( 1.438 3.886 10.173) 10.985 1.918 ( -2.439 -0.360 5.024) 5.597 2.190 ( -2.441 -3.417 2.088) 4.690 2.231 ( -3.219 0.081 4.024) 5.154 2.328 ( 2.113 -3.712 -4.472) 6.184 2.444 ( 0.611 0.569 -2.010) 2.177 2.716 ( 0.423 3.120 -0.800) 3.248 3.061 ( -4.610 -2.014 -2.785) 5.750 3.273 ( -9.070 -2.735 5.261) 10.836 3.344 ( 8.919 -3.604 -1.195) 9.694 3.556 ( 4.821 4.173 0.906) 6.440 3.584 ( -8.738 -2.323 5.326) 10.493 3.781 ( 5.891 3.775 -2.240) 7.347 3.923 ( -1.633 1.272 -2.654) 3.366 4.121 ( 5.073 3.467 3.594) 7.118 4.147 ( -5.671 2.333 0.682) 6.170 4.433 ( -3.949 1.879 4.649) 6.383 4.578 ( 6.637 -3.974 -7.166) 10.544 4.759 ( -1.380 -1.452 4.834) 5.232 4.807 ( -1.430 1.077 0.347) 1.824 5.016 ( 3.005 -4.660 -9.543) 11.037 5.083 ( 0.816 -0.551 -4.542) 4.648 5.544 ( 2.260 14.474 -0.398) 14.654 5.636 ( -1.324 11.499 -0.175) 11.576 6.254 ( -7.071 11.689 0.980) 13.696 6.291 ( 7.099 9.991 -2.577) 12.524 7.173 ( -2.871 5.129 9.696) 11.339 7.343 ( 0.114 4.397 -3.580) 5.671 7.677 ( 2.903 0.182 -4.669) 5.501 7.731 ( 0.084 -1.331 3.306) 3.565 8.075 ( -2.846 -2.263 0.472) 3.666 8.219 ( -4.724 3.087 2.397) 6.131 8.312 ( 4.633 -0.604 -2.499) 5.299 8.751 ( -2.088 -6.565 0.436) 6.903 9.273 ( 0.136 -2.492 -0.408) 2.529 9.474 ( 2.773 0.269 0.294) 2.802 9.971 ( 4.871 -6.447 10.699) 13.408 10.326 ( -1.053 -6.943 -6.841) 9.804 10.536 ( 1.231 -3.609 1.721) 4.183 10.968 ( -1.902 -6.905 -2.666) 7.642 15.683 ( 0.215 7.613 2.364) 7.974 15.863 ( -0.530 1.337 -3.454) 3.742 16.426 ( 1.092 10.385 1.338) 10.528 16.465 ( -0.551 6.889 0.892) 6.968 16.569 ( 0.694 9.915 1.922) 10.123 17.380 ( -5.676 4.645 3.515) 8.133 17.997 ( -2.506 -0.809 -2.664) 3.746 18.553 ( 3.864 -4.386 -5.116) 7.768 19.266 ( -3.591 -3.892 8.832) 10.298 19.386 ( 2.801 -5.361 -1.952) 6.355 ======================= Grid point 197 (99/125) ======================= q-point: ( 0.14 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.053 0.943 5.245) 5.329 1.319 ( 6.849 8.416 -1.975) 11.029 1.411 ( 5.728 8.082 3.018) 10.356 1.426 ( 2.574 4.795 -9.980) 11.368 1.833 ( -1.790 0.952 3.809) 4.315 1.963 ( 3.093 2.037 5.803) 6.885 2.153 ( -2.908 -3.461 5.056) 6.782 2.187 ( -3.083 -0.625 4.929) 5.848 2.329 ( -0.831 -1.023 -2.239) 2.598 2.422 ( -2.149 1.572 -2.367) 3.562 2.582 ( -9.355 4.826 1.159) 10.590 3.077 ( -7.821 -1.784 0.424) 8.033 3.156 ( 4.131 -4.694 4.950) 7.975 3.425 ( -0.828 4.859 9.129) 10.374 3.495 ( 2.571 1.475 -2.575) 3.927 3.711 ( 6.408 -7.583 -1.293) 10.011 3.864 ( 0.913 2.092 3.799) 4.433 3.913 ( 2.980 4.507 -7.261) 9.051 4.069 ( -0.946 -2.662 0.189) 2.832 4.253 ( 4.344 2.752 5.415) 7.467 4.374 ( -2.079 4.829 1.634) 5.505 4.638 ( 4.026 -2.072 -10.515) 11.448 4.757 ( -2.770 1.750 5.411) 6.326 4.784 ( -0.275 -4.047 1.855) 4.460 5.024 ( 2.616 -3.801 -9.655) 10.700 5.067 ( -0.137 0.550 -4.166) 4.205 5.492 ( -4.199 12.646 -2.067) 13.485 5.685 ( 3.587 12.484 0.036) 12.989 6.110 ( -7.658 10.928 1.758) 13.460 6.407 ( 5.591 11.604 -2.489) 13.119 7.151 ( -4.300 5.268 10.010) 12.101 7.325 ( -0.084 4.141 -3.484) 5.413 7.715 ( 3.359 -0.524 -4.263) 5.453 7.774 ( 2.813 0.042 -0.056) 2.814 7.952 ( -10.444 -2.502 5.301) 11.977 8.140 ( -2.277 3.874 2.128) 4.972 8.351 ( 0.065 -0.282 -0.970) 1.012 8.771 ( -0.414 -7.509 -0.023) 7.520 9.285 ( 2.657 -0.755 1.962) 3.388 9.510 ( 0.743 -1.904 -3.462) 4.020 10.092 ( 5.133 -7.163 -4.942) 10.103 10.228 ( -2.661 -8.277 -2.183) 8.964 10.676 ( 9.900 -3.604 -1.635) 10.662 10.949 ( -0.111 -7.251 2.495) 7.669 15.720 ( 2.645 7.688 0.954) 8.185 15.855 ( 0.797 1.098 -0.871) 1.612 16.381 ( -4.867 8.034 -0.245) 9.397 16.460 ( -1.361 9.019 0.525) 9.137 16.549 ( -2.502 10.219 0.001) 10.521 17.225 ( -12.912 4.696 10.744) 17.441 18.017 ( 4.030 -1.304 3.749) 5.657 18.636 ( 7.405 -4.391 -8.082) 11.808 19.245 ( -2.736 -3.399 7.267) 8.477 19.410 ( 0.795 -5.867 -2.511) 6.431 ======================= Grid point 198 (100/125) ======================= q-point: ( 0.29 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.765 -5.321 1.017) 5.471 1.364 ( 0.129 -1.056 -10.979) 11.030 1.471 ( 8.417 9.606 -6.918) 14.525 1.596 ( 7.973 7.271 8.098) 13.491 1.817 ( -2.447 -0.172 4.295) 4.946 2.019 ( -0.565 3.380 5.125) 6.165 2.116 ( -4.706 3.602 4.068) 7.188 2.171 ( -1.944 -2.042 5.869) 6.511 2.271 ( -0.127 -1.418 -2.393) 2.784 2.372 ( -2.520 7.618 4.275) 9.092 2.491 ( -1.034 1.550 1.412) 2.338 2.848 ( -11.068 2.599 -4.707) 12.305 3.310 ( 4.743 -0.617 7.962) 9.288 3.485 ( -1.578 0.542 -0.111) 1.673 3.548 ( 6.512 -1.248 7.159) 9.758 3.810 ( 2.571 -1.306 -3.999) 4.930 3.837 ( -1.445 -3.746 6.114) 7.315 3.948 ( 2.815 -1.408 -5.978) 6.756 4.120 ( 3.602 -0.289 1.079) 3.771 4.264 ( -2.662 -4.797 8.143) 9.819 4.432 ( 5.161 10.306 -6.739) 13.351 4.631 ( 0.253 0.609 -9.114) 9.137 4.718 ( -2.634 2.318 5.864) 6.833 4.808 ( 0.821 -3.540 2.138) 4.216 5.006 ( 0.071 0.306 -7.727) 7.733 5.048 ( 1.246 -1.743 -6.451) 6.798 5.413 ( -2.729 11.189 -0.711) 11.539 5.726 ( 0.937 12.810 -2.057) 13.008 5.992 ( -5.083 11.503 1.801) 12.705 6.482 ( 3.358 12.022 -1.748) 12.604 7.120 ( -3.884 5.972 9.943) 12.232 7.304 ( 0.182 4.206 -4.876) 6.442 7.760 ( -5.058 0.012 4.973) 7.093 7.768 ( 2.446 -0.054 -3.711) 4.445 7.856 ( 0.950 -1.316 1.164) 1.997 8.139 ( 0.510 3.152 2.386) 3.986 8.291 ( -7.201 -0.470 -1.032) 7.290 8.681 ( -3.942 -5.217 -5.005) 8.234 9.352 ( -1.902 -2.484 4.595) 5.559 9.499 ( 2.178 -4.335 -2.426) 5.424 10.185 ( 8.064 -4.465 -7.206) 11.700 10.224 ( 3.273 -12.820 -2.513) 13.468 10.814 ( 5.333 -3.297 -7.002) 9.398 10.987 ( 1.283 -8.292 7.226) 11.074 15.789 ( 4.292 7.763 -0.904) 8.916 15.876 ( 0.672 1.158 1.762) 2.213 16.270 ( -5.917 3.663 0.460) 6.974 16.412 ( -2.646 12.314 -0.927) 12.629 16.509 ( -1.687 9.918 0.375) 10.068 17.013 ( -13.268 4.941 9.329) 16.955 18.165 ( 6.487 -2.181 9.903) 12.038 18.733 ( 6.625 -4.519 -9.244) 12.237 19.234 ( -1.825 -2.902 5.436) 6.427 19.397 ( -0.820 -6.126 -1.455) 6.350 ======================= Grid point 199 (101/125) ======================= q-point: ( 0.43 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -1.542 -10.065 1.322) 10.268 1.275 ( -3.040 -5.246 -7.597) 9.720 1.619 ( 8.440 10.324 -4.765) 14.161 1.730 ( -8.760 4.753 5.059) 11.177 1.766 ( 4.729 3.663 7.384) 9.503 2.014 ( -1.885 0.934 1.212) 2.428 2.057 ( -1.086 8.462 6.380) 10.653 2.200 ( 1.906 -0.059 4.803) 5.168 2.305 ( 1.915 -2.421 -3.628) 4.764 2.361 ( -1.330 6.419 8.733) 10.920 2.506 ( 0.388 2.873 0.605) 2.962 2.653 ( -4.208 6.468 -8.167) 11.236 3.359 ( -1.118 1.153 0.888) 1.835 3.483 ( 0.185 1.754 6.363) 6.603 3.698 ( 3.635 -6.673 5.540) 9.404 3.762 ( -3.469 -1.431 4.118) 5.571 3.892 ( -0.047 -8.488 0.478) 8.502 3.963 ( 3.992 1.700 -6.698) 7.981 4.172 ( 1.462 -5.949 4.460) 7.578 4.311 ( 1.368 1.031 5.315) 5.584 4.434 ( 0.569 3.046 -8.575) 9.117 4.558 ( -3.569 7.092 -4.804) 9.280 4.729 ( 0.162 3.951 4.204) 5.771 4.821 ( -0.703 -2.110 1.825) 2.877 4.974 ( 1.065 2.765 -6.294) 6.956 5.048 ( 2.759 -3.071 -9.441) 10.304 5.383 ( -0.382 9.832 0.168) 9.841 5.711 ( -0.762 12.771 -1.922) 12.937 5.937 ( -1.332 11.759 0.740) 11.857 6.521 ( 1.412 12.177 -1.304) 12.328 7.105 ( -2.840 6.480 9.742) 12.040 7.289 ( 1.362 4.842 -6.469) 8.194 7.710 ( -1.276 -0.549 7.930) 8.051 7.803 ( 0.634 1.672 -1.185) 2.145 7.899 ( 2.915 -2.586 0.404) 3.918 8.069 ( -11.507 -0.430 -5.122) 12.603 8.170 ( 1.459 3.749 0.489) 4.053 8.639 ( 0.068 -2.859 -1.195) 3.099 9.279 ( -3.920 -4.089 0.969) 5.747 9.546 ( 1.866 -5.064 -0.459) 5.416 10.221 ( 0.972 -11.114 -3.126) 11.586 10.371 ( 7.928 -9.561 -2.964) 12.770 10.814 ( -1.901 -3.990 -3.602) 5.702 11.052 ( 2.542 -7.229 2.466) 8.050 15.870 ( 2.110 10.223 1.166) 10.504 15.880 ( 0.772 0.161 -0.880) 1.181 16.184 ( -3.079 -0.710 1.904) 3.689 16.367 ( -1.460 13.296 -0.480) 13.384 16.487 ( -0.766 11.941 0.574) 11.979 16.851 ( -6.192 4.151 6.039) 9.594 18.326 ( 3.744 -3.157 11.232) 12.253 18.785 ( 3.628 -4.400 -10.825) 12.235 19.227 ( -1.662 -3.174 5.282) 6.382 19.375 ( -0.845 -5.820 -0.309) 5.889 ======================= Grid point 200 (102/125) ======================= q-point: (-0.43 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -5.724 -6.596 6.869) 11.111 1.219 ( -0.074 -7.585 -1.755) 7.785 1.515 ( -12.195 12.091 5.536) 18.044 1.769 ( 3.573 4.069 1.852) 5.723 1.831 ( -1.339 5.460 1.317) 5.774 1.991 ( 0.075 -0.367 2.737) 2.763 2.102 ( 2.351 6.462 2.500) 7.317 2.233 ( -0.929 -3.541 2.538) 4.455 2.267 ( -2.680 1.243 -2.622) 3.950 2.455 ( 5.442 6.748 1.866) 8.868 2.492 ( 0.196 4.240 3.824) 5.713 2.618 ( 3.871 4.834 -8.793) 10.755 3.376 ( 3.856 1.389 -1.808) 4.480 3.492 ( -3.873 3.226 10.090) 11.279 3.705 ( -3.896 -4.718 -2.349) 6.554 3.741 ( -1.941 -6.377 8.273) 10.625 3.839 ( -3.134 -5.163 -1.364) 6.192 4.051 ( 5.895 -0.883 -3.880) 7.113 4.215 ( -2.247 -5.040 4.356) 7.030 4.269 ( -3.376 -5.321 0.669) 6.337 4.419 ( -2.837 8.367 -2.978) 9.323 4.497 ( 1.890 6.691 -1.996) 7.234 4.733 ( -1.875 9.263 3.522) 10.086 4.829 ( 1.050 -5.204 2.874) 6.037 4.983 ( 2.882 0.662 -7.848) 8.387 5.054 ( 3.036 -1.480 -10.176) 10.722 5.390 ( 0.918 9.297 -0.451) 9.353 5.695 ( -0.144 13.263 -0.354) 13.269 5.944 ( 1.951 11.247 -0.005) 11.415 6.522 ( -0.630 12.142 -1.448) 12.245 7.110 ( -1.643 6.403 9.474) 11.553 7.294 ( 2.857 5.344 -7.340) 9.518 7.766 ( -1.176 -1.206 5.344) 5.603 7.788 ( -0.309 0.662 4.411) 4.471 7.871 ( -4.466 0.356 -5.077) 6.771 7.999 ( 7.764 -1.614 3.313) 8.595 8.191 ( 0.803 4.042 -1.370) 4.343 8.618 ( -2.714 -2.850 0.465) 3.962 9.275 ( 3.164 -4.240 1.368) 5.464 9.554 ( -0.596 -4.843 -1.065) 4.995 10.212 ( -0.213 -11.184 -2.161) 11.393 10.383 ( -6.403 -10.978 -4.659) 13.536 10.743 ( -3.999 -2.789 3.396) 5.942 11.106 ( 2.691 -7.300 -2.602) 8.204 15.822 ( -4.333 7.029 2.204) 8.546 15.948 ( 3.588 4.026 -3.868) 6.636 16.173 ( 0.613 -1.394 3.031) 3.392 16.351 ( -0.374 12.662 1.239) 12.728 16.484 ( 0.221 12.443 0.733) 12.466 16.869 ( 5.535 4.453 4.268) 8.288 18.404 ( -0.957 -3.675 7.122) 8.071 18.754 ( -0.964 -3.992 -11.636) 12.339 19.230 ( -0.980 -3.860 6.770) 7.855 19.359 ( -0.860 -5.148 -0.021) 5.219 ======================= Grid point 201 (103/125) ======================= q-point: (-0.29 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -4.068 1.443 12.237) 12.976 1.235 ( 0.902 -5.198 2.021) 5.649 1.322 ( -10.177 13.466 6.947) 18.252 1.729 ( -6.625 5.825 -3.726) 9.576 1.778 ( -3.929 2.423 6.454) 7.935 2.004 ( -3.363 0.872 7.027) 7.839 2.179 ( 4.481 3.196 -1.582) 5.727 2.230 ( 0.154 -3.078 0.225) 3.090 2.257 ( 4.418 -0.654 -1.635) 4.756 2.419 ( -2.747 1.964 -3.067) 4.562 2.589 ( 3.648 6.471 -5.200) 9.068 2.777 ( 14.221 2.536 1.435) 14.516 3.419 ( -3.018 2.344 -0.571) 3.863 3.490 ( 2.897 1.263 4.217) 5.270 3.571 ( -8.989 -4.235 0.391) 9.944 3.684 ( -5.573 -3.923 1.890) 7.072 3.825 ( 0.325 -4.962 2.552) 5.589 4.063 ( -3.550 2.329 -2.676) 5.018 4.118 ( -5.471 -1.851 0.183) 5.778 4.271 ( -0.023 -2.673 5.095) 5.754 4.388 ( 2.088 0.106 -1.812) 2.767 4.506 ( -1.394 7.116 -0.802) 7.295 4.729 ( -0.054 8.402 4.549) 9.555 4.860 ( -0.213 -5.035 1.975) 5.413 4.994 ( 3.511 -3.510 -11.454) 12.483 5.066 ( 2.604 0.561 -6.738) 7.245 5.413 ( 1.887 10.460 -0.690) 10.651 5.697 ( -0.035 13.890 0.637) 13.905 6.017 ( 5.646 10.651 -0.691) 12.074 6.479 ( -3.168 11.709 -1.402) 12.211 7.134 ( -0.877 6.013 9.078) 10.924 7.322 ( 3.564 5.226 -7.084) 9.497 7.712 ( -3.649 -0.262 1.473) 3.944 7.761 ( -3.380 -0.622 5.209) 6.240 7.904 ( 6.788 -0.753 -4.265) 8.052 8.183 ( 0.300 3.564 -1.937) 4.067 8.255 ( 12.730 -0.598 4.595) 13.547 8.561 ( -2.360 -4.754 5.456) 7.612 9.375 ( 4.461 -3.279 2.553) 6.097 9.512 ( -3.259 -4.485 -3.306) 6.455 10.102 ( -16.595 -7.066 -0.316) 18.039 10.220 ( 1.331 -10.034 -1.852) 10.290 10.694 ( -4.222 -2.913 5.401) 7.449 11.111 ( -0.390 -8.030 -5.335) 9.649 15.747 ( -4.155 7.945 2.020) 9.191 15.955 ( -0.357 1.596 -4.972) 5.234 16.241 ( 4.519 2.872 3.332) 6.306 16.371 ( 1.405 11.060 3.227) 11.606 16.506 ( 1.444 10.688 0.520) 10.797 17.083 ( 13.443 5.508 2.222) 14.697 18.346 ( -6.428 -3.028 -2.800) 7.638 18.648 ( -4.192 -3.892 -6.555) 8.700 19.257 ( -0.154 -3.989 7.806) 8.767 19.340 ( -1.039 -4.840 0.314) 4.960 ======================= Grid point 202 (104/125) ======================= q-point: (-0.14 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -0.934 6.422 12.590) 14.164 1.185 ( -6.218 13.749 10.043) 18.127 1.281 ( 1.735 -0.813 -0.714) 2.045 1.579 ( -4.854 7.490 -8.495) 12.321 1.749 ( -2.409 2.371 11.299) 11.794 1.959 ( -4.269 0.172 6.711) 7.956 2.212 ( 0.204 -2.899 -0.981) 3.067 2.244 ( 0.418 -0.189 1.489) 1.558 2.327 ( 0.122 -3.554 -3.332) 4.873 2.408 ( 4.234 1.767 -1.694) 4.890 2.636 ( 4.915 6.410 -4.111) 9.064 3.086 ( 15.773 -2.914 -0.628) 16.052 3.280 ( -9.411 -5.279 -7.950) 13.403 3.410 ( -8.855 1.547 10.547) 13.858 3.504 ( -1.752 1.703 -1.873) 3.079 3.676 ( 4.532 4.134 0.895) 6.199 3.772 ( -8.347 -5.280 2.990) 10.319 3.995 ( -5.643 -1.017 6.231) 8.468 4.042 ( 2.219 3.411 -5.120) 6.540 4.247 ( -4.690 4.006 2.194) 6.547 4.460 ( 1.163 -0.272 4.292) 4.455 4.478 ( 3.389 -1.183 -5.135) 6.265 4.756 ( -0.317 3.931 4.676) 6.117 4.837 ( -1.849 -1.931 -0.324) 2.693 5.006 ( 3.281 -4.894 -10.347) 11.907 5.081 ( 1.828 -0.420 -4.853) 5.203 5.466 ( 3.778 12.382 0.487) 12.954 5.684 ( -1.771 13.597 -0.219) 13.714 6.146 ( 7.867 10.641 -1.583) 13.328 6.386 ( -5.757 10.947 -0.543) 12.380 7.162 ( -1.102 5.477 9.024) 10.614 7.348 ( 2.020 4.833 -5.451) 7.560 7.666 ( -0.762 -0.321 -0.899) 1.222 7.734 ( -2.185 -0.854 4.803) 5.345 8.044 ( 8.175 -2.138 -4.213) 9.442 8.177 ( 1.520 3.973 -1.620) 4.552 8.344 ( -3.012 -0.351 -0.630) 3.097 8.716 ( 9.124 -9.442 6.874) 14.820 9.349 ( -9.203 -1.016 -4.818) 10.437 9.439 ( 0.520 -1.521 3.602) 3.944 9.890 ( -5.088 -4.062 11.816) 13.491 10.279 ( 5.621 -8.807 -4.292) 11.295 10.613 ( -6.623 -3.019 3.898) 8.257 11.043 ( -2.994 -7.759 -5.782) 10.129 15.692 ( -2.417 7.842 2.444) 8.562 15.906 ( -1.505 1.258 -4.780) 5.167 16.354 ( 4.698 7.134 2.478) 8.894 16.433 ( 2.610 8.968 3.738) 10.061 16.535 ( 1.264 9.753 0.770) 9.864 17.337 ( 9.706 5.086 -0.423) 10.966 18.148 ( -9.226 -1.332 -7.886) 12.210 18.558 ( -2.347 -4.298 -2.143) 5.346 19.285 ( -2.647 -3.889 10.144) 11.182 19.339 ( 2.067 -5.032 -1.655) 5.687 ======================= Grid point 203 (105/125) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -3.045 9.375 5.127) 11.111 1.348 ( 4.661 4.519 -2.393) 6.919 1.465 ( 1.116 9.716 7.344) 12.230 1.665 ( -2.592 9.185 -4.598) 10.594 1.847 ( 2.130 -0.521 5.870) 6.267 1.915 ( -1.044 0.399 3.816) 3.976 2.082 ( -2.109 -6.647 -0.434) 6.988 2.207 ( -2.099 -3.871 1.026) 4.522 2.284 ( 1.751 0.376 0.745) 1.939 2.436 ( 0.126 -1.386 -1.093) 1.770 2.773 ( -0.841 2.032 -1.596) 2.717 3.024 ( -2.295 -2.231 -1.876) 3.710 3.175 ( -1.744 -5.769 -1.920) 6.326 3.274 ( 2.165 -4.044 1.945) 4.982 3.599 ( -5.217 6.488 15.970) 18.009 3.683 ( -2.220 6.231 0.240) 6.619 3.852 ( 1.863 3.520 1.692) 4.327 3.971 ( 5.211 4.668 -4.722) 8.440 4.160 ( -0.433 0.223 -1.012) 1.123 4.238 ( -3.174 5.172 1.265) 6.199 4.504 ( 3.987 -0.322 -2.902) 4.942 4.520 ( 0.329 2.720 -0.580) 2.800 4.664 ( -1.847 -4.781 3.754) 6.353 4.845 ( -2.541 -0.307 0.331) 2.581 4.900 ( 3.374 -5.671 -10.860) 12.708 5.053 ( 2.472 -2.470 -5.108) 6.189 5.891 ( 4.374 18.085 0.252) 18.608 5.931 ( -3.824 16.240 -1.077) 16.719 6.487 ( -2.643 11.968 -0.220) 12.259 6.573 ( 3.181 14.073 -1.435) 14.499 7.313 ( -3.344 8.130 11.251) 14.277 7.462 ( -1.060 6.783 -2.229) 7.218 7.689 ( -0.575 -0.761 -0.057) 0.955 7.701 ( 5.078 0.564 -4.367) 6.721 8.013 ( -4.298 -3.813 1.534) 5.947 8.254 ( -1.182 -2.511 0.310) 2.793 8.302 ( 2.602 1.241 -0.613) 2.947 8.570 ( 0.409 -10.189 1.989) 10.390 9.233 ( -1.196 -0.624 -0.824) 1.581 9.503 ( 1.685 2.724 0.515) 3.244 9.805 ( 1.116 -9.301 8.255) 12.486 10.134 ( 2.151 -11.388 -6.622) 13.348 10.450 ( -0.246 -4.270 2.185) 4.803 10.790 ( -1.073 -10.028 -3.204) 10.582 15.818 ( 0.430 4.782 2.237) 5.297 15.891 ( -0.934 1.266 -2.636) 3.070 16.685 ( 2.492 15.164 4.507) 16.015 16.730 ( -3.178 17.050 2.405) 17.510 16.827 ( 2.715 15.181 -1.305) 15.477 17.489 ( -4.876 5.498 0.623) 7.375 17.953 ( -2.641 -4.073 -3.702) 6.105 18.408 ( 4.123 -10.075 -5.424) 12.163 19.169 ( -2.784 -5.132 7.070) 9.169 19.259 ( 1.147 -6.379 1.269) 6.604 ======================= Grid point 204 (106/125) ======================= q-point: ( 0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -5.510 5.226 3.407) 8.323 1.437 ( 4.993 5.704 -5.993) 9.663 1.542 ( 3.308 7.406 0.265) 8.115 1.632 ( 0.241 7.931 4.888) 9.319 1.807 ( -3.164 -2.633 1.479) 4.374 2.012 ( 3.407 0.174 4.693) 5.802 2.053 ( 0.377 -4.273 0.320) 4.302 2.181 ( -0.979 -0.419 2.144) 2.394 2.328 ( 1.271 0.729 0.430) 1.527 2.417 ( -0.832 -1.746 -1.280) 2.319 2.713 ( -4.373 6.712 1.655) 8.180 3.020 ( -5.036 -3.637 -1.014) 6.294 3.093 ( 4.577 -1.499 2.706) 5.525 3.449 ( 10.310 -6.628 0.417) 12.264 3.565 ( -5.210 6.423 11.253) 13.965 3.594 ( -5.142 1.709 6.361) 8.356 3.969 ( 6.002 7.457 -7.921) 12.425 4.033 ( -8.494 0.466 -0.772) 8.542 4.055 ( 7.068 6.402 -1.784) 9.702 4.197 ( -5.140 -3.213 4.988) 7.850 4.541 ( 3.359 3.272 -9.106) 10.242 4.565 ( 1.105 -3.624 5.089) 6.344 4.709 ( 5.834 0.464 0.241) 5.857 4.787 ( -3.740 -0.313 3.596) 5.197 4.912 ( 3.318 -6.374 -11.333) 13.419 5.081 ( 2.716 0.346 -5.545) 6.184 5.812 ( -5.220 17.700 -2.012) 18.563 5.996 ( 3.886 16.597 0.529) 17.055 6.379 ( -6.218 14.492 1.307) 15.823 6.676 ( 6.215 12.871 -3.199) 14.647 7.294 ( -4.236 8.295 11.966) 15.163 7.435 ( -0.541 6.157 -2.573) 6.695 7.698 ( 1.797 -1.224 -0.806) 2.319 7.789 ( 6.102 1.715 -5.985) 8.718 7.892 ( -9.095 -3.162 5.547) 11.112 8.218 ( -1.932 3.072 2.001) 4.144 8.342 ( 0.561 -0.503 -0.747) 1.062 8.565 ( -1.161 -12.038 -1.694) 12.212 9.245 ( 1.728 -3.104 2.191) 4.174 9.494 ( -2.897 0.964 -2.254) 3.795 9.866 ( 1.668 -13.814 3.445) 14.334 10.058 ( -1.770 -8.041 -8.847) 12.086 10.579 ( 9.488 -5.522 0.968) 11.020 10.768 ( -0.569 -9.790 0.140) 9.807 15.850 ( 1.629 3.904 -0.381) 4.248 15.882 ( 1.024 1.616 1.156) 2.235 16.619 ( -7.802 15.537 -1.014) 17.415 16.727 ( -0.415 15.180 5.003) 15.989 16.836 ( -0.519 17.575 -4.685) 18.196 17.342 ( -11.415 6.481 7.916) 15.329 17.957 ( 3.051 -5.133 3.435) 6.889 18.491 ( 7.219 -10.126 -8.428) 15.023 19.159 ( -1.749 -4.641 6.422) 8.114 19.268 ( -0.685 -7.335 0.457) 7.381 ======================= Grid point 205 (107/125) ======================= q-point: ( 0.29 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -5.357 0.261 1.933) 5.701 1.379 ( -5.891 1.898 -9.917) 11.690 1.646 ( 7.799 7.315 0.504) 10.704 1.692 ( 1.073 0.734 5.704) 5.850 1.822 ( 2.663 2.213 4.226) 5.463 2.038 ( -0.651 -5.772 6.101) 8.423 2.105 ( 1.399 1.393 -1.704) 2.608 2.207 ( 3.360 3.563 1.217) 5.046 2.294 ( -3.526 2.617 0.974) 4.498 2.453 ( 4.341 -0.403 -0.488) 4.387 2.642 ( -4.624 12.462 5.575) 14.414 2.905 ( -4.283 2.657 -3.939) 6.396 3.263 ( 8.149 -3.429 5.092) 10.203 3.498 ( -4.071 -0.328 2.488) 4.782 3.586 ( -0.037 4.213 8.585) 9.563 3.651 ( 7.364 -6.212 5.693) 11.191 3.853 ( -8.798 0.261 1.092) 8.869 3.971 ( 0.103 2.327 -9.632) 9.910 4.106 ( -2.747 -0.920 -1.622) 3.320 4.239 ( 7.034 2.940 5.264) 9.264 4.481 ( -2.871 -4.554 -5.076) 7.399 4.633 ( 0.676 -3.108 4.650) 5.633 4.760 ( -0.775 3.101 3.146) 4.485 4.845 ( 7.740 6.210 -3.788) 10.621 4.909 ( 2.690 -5.828 -12.038) 13.643 5.091 ( 1.072 3.058 -4.913) 5.885 5.714 ( -3.716 17.656 -1.098) 18.076 6.041 ( 0.821 16.663 -1.019) 16.714 6.284 ( -3.968 16.167 1.188) 16.689 6.763 ( 4.269 13.429 -3.179) 14.445 7.280 ( -3.517 8.978 11.694) 15.156 7.416 ( 0.488 6.327 -3.506) 7.250 7.743 ( -1.833 -2.635 0.378) 3.232 7.757 ( -2.021 -0.406 4.826) 5.247 7.856 ( 3.143 1.985 -4.657) 5.959 8.220 ( 0.783 4.462 2.818) 5.335 8.274 ( -8.129 -1.279 -0.945) 8.284 8.534 ( 1.455 -8.716 -4.700) 10.009 9.283 ( -2.809 -4.900 5.047) 7.574 9.386 ( -3.120 -5.602 -3.745) 7.425 9.899 ( 0.677 -17.356 0.817) 17.388 10.060 ( 5.924 -7.673 -8.802) 13.094 10.725 ( 3.744 -5.235 -5.839) 8.690 10.786 ( 2.811 -10.094 6.926) 12.561 15.869 ( 1.353 1.291 -1.506) 2.401 15.939 ( 2.792 2.477 2.910) 4.733 16.449 ( -8.226 14.220 -0.749) 16.445 16.728 ( -1.933 16.174 5.097) 17.068 16.794 ( 0.016 18.295 -5.865) 19.212 17.143 ( -12.547 7.989 7.248) 16.547 18.080 ( 5.151 -6.658 9.225) 12.489 18.582 ( 6.451 -10.589 -9.438) 15.582 19.160 ( -1.238 -4.041 4.315) 6.040 19.245 ( -1.748 -7.939 1.741) 8.313 ======================= Grid point 206 (108/125) ======================= q-point: ( 0.43 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -2.867 -2.209 2.664) 4.494 1.199 ( -6.277 -2.087 -7.169) 9.755 1.717 ( -1.526 -1.645 5.503) 5.943 1.802 ( 6.026 6.481 1.419) 8.963 1.888 ( 1.727 4.260 4.411) 6.371 2.042 ( -2.381 -3.644 -1.360) 4.560 2.101 ( 0.824 2.142 4.182) 4.770 2.231 ( -2.194 2.829 0.741) 3.657 2.313 ( 4.063 3.262 -0.206) 5.214 2.533 ( 2.735 0.132 0.681) 2.821 2.608 ( -1.480 15.013 7.046) 16.651 2.819 ( -1.710 8.931 -6.702) 11.296 3.376 ( 0.324 -0.376 1.721) 1.791 3.486 ( 2.180 -1.980 6.493) 7.130 3.641 ( 1.788 0.248 1.811) 2.557 3.695 ( -7.705 -3.498 10.401) 13.408 3.776 ( 0.724 -1.625 -2.341) 2.941 3.944 ( 0.722 -4.622 1.903) 5.051 4.081 ( 1.690 -0.473 -3.927) 4.301 4.280 ( -2.405 -3.544 -8.399) 9.428 4.484 ( 2.184 0.493 10.026) 10.273 4.655 ( 0.091 -2.607 4.456) 5.163 4.753 ( -0.838 7.189 -2.780) 7.754 4.893 ( 3.549 -7.093 -14.889) 16.870 4.936 ( 1.806 8.165 -1.757) 8.545 5.088 ( 1.410 3.998 -4.174) 5.950 5.662 ( -1.193 17.054 -0.544) 17.104 6.032 ( -0.557 17.411 -1.124) 17.456 6.237 ( -1.438 16.551 0.580) 16.624 6.809 ( 2.007 14.005 -2.868) 14.436 7.270 ( -3.278 8.813 10.456) 14.062 7.426 ( 2.396 8.243 -4.560) 9.720 7.681 ( -2.278 -2.573 6.908) 7.716 7.834 ( 4.574 -0.723 0.579) 4.667 7.863 ( -0.365 1.554 -1.556) 2.229 8.057 ( -10.583 -0.717 -4.289) 11.441 8.266 ( 2.358 5.423 0.083) 5.915 8.565 ( 1.778 -4.033 -1.034) 4.527 9.166 ( -5.816 -6.603 0.964) 8.851 9.397 ( 1.851 -9.442 -0.367) 9.628 9.911 ( 0.759 -17.507 -1.216) 17.566 10.129 ( 3.284 -13.866 -5.351) 15.221 10.717 ( -1.536 -4.940 0.048) 5.174 10.883 ( 3.748 -8.486 0.381) 9.285 15.888 ( 0.929 0.645 -0.684) 1.322 15.997 ( 1.591 0.472 1.520) 2.251 16.325 ( -3.824 14.890 0.466) 15.381 16.705 ( -3.244 18.324 5.665) 19.452 16.808 ( 4.270 18.267 -5.237) 19.477 16.960 ( -8.068 7.608 4.472) 11.958 18.213 ( 2.732 -8.374 10.290) 13.545 18.634 ( 3.855 -10.774 -10.687) 15.657 19.145 ( -2.070 -4.529 3.367) 6.011 19.234 ( -0.764 -7.215 3.207) 7.933 ======================= Grid point 207 (109/125) ======================= q-point: (-0.43 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 1.159 -0.124 4.414) 4.565 1.114 ( 0.176 -2.468 -0.522) 2.528 1.677 ( -6.198 2.722 7.811) 10.336 1.836 ( -1.996 3.950 0.651) 4.474 1.935 ( -1.492 3.251 -1.065) 3.732 1.984 ( -0.842 -3.246 3.430) 4.796 2.161 ( 1.614 0.101 -1.037) 1.921 2.213 ( 1.987 3.822 2.281) 4.874 2.320 ( -3.286 3.659 -0.495) 4.943 2.531 ( -3.329 0.426 0.454) 3.387 2.671 ( 4.063 11.682 5.260) 13.441 2.784 ( 2.312 10.688 -7.551) 13.289 3.409 ( 3.681 1.018 -1.469) 4.092 3.538 ( -1.837 -6.457 5.075) 8.416 3.603 ( -6.203 6.040 12.400) 15.124 3.655 ( -0.197 -4.391 -1.468) 4.634 3.767 ( -1.310 -1.739 -0.883) 2.350 3.952 ( -1.359 -6.995 5.866) 9.229 4.143 ( 3.334 -5.465 4.527) 7.840 4.183 ( -0.123 1.024 -14.196) 14.234 4.541 ( -3.673 -1.219 10.776) 11.450 4.663 ( -1.088 7.957 -1.622) 8.193 4.740 ( 2.910 1.403 -2.069) 3.836 4.886 ( 2.755 -6.977 -13.827) 15.731 4.921 ( -1.838 7.379 0.044) 7.605 5.093 ( 1.065 2.691 -5.143) 5.901 5.662 ( 1.425 16.892 -0.573) 16.961 6.024 ( 0.157 17.597 -0.313) 17.601 6.235 ( 1.137 16.311 0.663) 16.364 6.807 ( -0.736 13.844 -2.803) 14.144 7.267 ( -2.181 8.133 9.929) 13.019 7.452 ( 3.170 9.877 -6.486) 12.234 7.703 ( -0.831 -4.546 6.779) 8.204 7.823 ( -3.373 2.222 1.001) 4.161 7.881 ( -2.901 0.573 -5.785) 6.497 7.970 ( 8.064 -0.983 5.563) 9.846 8.295 ( 1.079 5.891 -2.560) 6.513 8.545 ( -4.073 -3.872 0.632) 5.655 9.156 ( 4.277 -6.956 1.786) 8.359 9.413 ( 0.170 -8.796 -1.551) 8.933 9.917 ( 0.841 -16.441 -1.644) 16.545 10.097 ( -4.841 -16.194 -2.601) 17.101 10.677 ( -3.271 -3.207 3.242) 5.612 10.929 ( 1.662 -9.310 -3.345) 10.032 15.887 ( -0.839 1.230 -0.661) 1.629 16.012 ( -0.375 -0.743 0.093) 0.838 16.316 ( 2.256 15.108 1.350) 15.336 16.667 ( -3.661 16.285 7.061) 18.123 16.819 ( -0.590 20.504 -3.757) 20.854 16.988 ( 9.116 7.596 1.387) 11.947 18.275 ( -1.074 -9.268 7.113) 11.732 18.611 ( -0.469 -10.508 -11.698) 15.732 19.135 ( -0.988 -4.956 5.345) 7.355 19.235 ( -0.843 -6.333 2.609) 6.901 ======================= Grid point 208 (110/125) ======================= q-point: (-0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 4.363 2.835 3.329) 6.177 1.192 ( 4.837 2.433 7.005) 8.853 1.570 ( -8.270 9.580 7.941) 14.941 1.770 ( -3.409 -0.406 -1.539) 3.762 1.864 ( -4.084 3.752 -1.342) 5.706 1.986 ( -2.743 -3.889 6.946) 8.420 2.147 ( -1.136 -2.079 -1.198) 2.655 2.237 ( -2.944 1.947 -1.283) 3.755 2.312 ( 5.222 4.498 -0.572) 6.916 2.437 ( -5.454 -0.565 0.255) 5.489 2.753 ( 2.719 8.108 -3.101) 9.097 2.857 ( 7.630 5.370 -1.101) 9.395 3.366 ( -7.291 -7.151 -4.602) 11.202 3.548 ( 1.295 3.429 1.324) 3.897 3.586 ( -6.660 6.312 12.515) 15.518 3.639 ( 1.295 0.373 -1.346) 1.905 3.707 ( -1.850 -6.288 5.423) 8.507 4.017 ( 4.283 -5.742 5.468) 9.012 4.113 ( -2.498 2.288 -6.212) 7.076 4.217 ( 2.312 -1.687 -0.099) 2.863 4.470 ( -3.589 4.731 -0.597) 5.968 4.643 ( -2.533 2.064 3.897) 5.086 4.771 ( -1.754 0.839 0.448) 1.995 4.854 ( 0.881 -1.813 -4.845) 5.247 4.904 ( 2.236 0.234 -9.608) 9.868 5.074 ( -0.247 -0.214 -4.496) 4.508 5.707 ( 3.295 17.526 -0.299) 17.836 6.029 ( -0.010 16.935 0.101) 16.936 6.293 ( 4.497 15.576 0.240) 16.214 6.751 ( -3.695 13.165 -2.150) 13.842 7.284 ( -1.390 7.887 9.613) 12.512 7.479 ( 3.096 10.063 -7.375) 12.854 7.684 ( -3.215 -2.907 4.123) 5.983 7.761 ( -3.439 0.932 3.089) 4.716 7.886 ( 5.266 -0.906 -5.314) 7.536 8.214 ( 12.027 -3.006 7.033) 14.253 8.284 ( -0.107 4.758 -3.070) 5.663 8.441 ( -6.473 -5.966 2.653) 9.194 9.297 ( 6.598 -3.865 4.199) 8.724 9.390 ( -0.760 -6.797 -4.363) 8.112 9.924 ( -8.185 -10.017 4.392) 13.661 9.951 ( 1.010 -15.172 -4.673) 15.907 10.624 ( -4.477 -3.562 4.599) 7.341 10.911 ( -1.032 -10.731 -5.734) 12.211 15.854 ( -2.033 2.684 -0.150) 3.371 15.985 ( -1.822 0.239 -1.662) 2.477 16.416 ( 6.581 14.045 2.613) 15.729 16.654 ( -1.243 14.350 7.938) 16.446 16.810 ( 1.100 19.759 -3.082) 20.028 17.225 ( 13.911 8.212 -1.132) 16.193 18.236 ( -4.842 -8.127 -0.534) 9.475 18.509 ( -3.959 -10.249 -8.355) 13.803 19.161 ( 0.297 -4.915 6.647) 8.272 19.224 ( -1.492 -5.878 2.282) 6.479 ======================= Grid point 209 (111/125) ======================= q-point: (-0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 4.814 6.430 3.017) 8.581 1.300 ( 1.624 6.218 5.635) 8.547 1.466 ( -5.306 11.502 6.784) 14.369 1.746 ( 1.309 1.661 0.071) 2.116 1.764 ( -4.131 3.595 -0.471) 5.497 1.957 ( -3.914 -0.476 7.222) 8.228 2.119 ( -0.773 -5.391 -2.560) 6.018 2.214 ( 0.766 -3.365 -1.294) 3.686 2.309 ( -4.763 1.556 2.636) 5.662 2.417 ( 2.645 -0.689 -1.436) 3.088 2.771 ( 1.559 5.495 -3.750) 6.832 3.024 ( 9.130 -3.267 -1.388) 9.796 3.176 ( -8.022 -4.253 -5.207) 10.467 3.419 ( -10.674 -2.261 2.362) 11.164 3.587 ( -0.813 7.920 11.681) 14.137 3.657 ( 0.672 -1.191 0.415) 1.429 3.813 ( 6.645 5.438 2.376) 8.909 3.991 ( -8.777 1.447 4.806) 10.111 4.117 ( 4.188 3.385 -1.965) 5.733 4.258 ( 2.839 -2.821 -3.178) 5.110 4.443 ( 0.998 2.777 -0.956) 3.102 4.582 ( -4.588 4.646 1.427) 6.683 4.707 ( -4.115 -3.379 3.234) 6.230 4.865 ( 1.425 -2.860 -4.395) 5.434 4.899 ( 2.243 -1.594 -9.536) 9.925 5.050 ( 0.256 -2.595 -3.983) 4.760 5.787 ( 4.839 18.023 0.628) 18.672 6.007 ( -2.335 16.449 -0.878) 16.637 6.403 ( 6.704 13.738 -1.049) 15.323 6.649 ( -5.760 13.098 -0.660) 14.323 7.305 ( -1.593 7.932 9.803) 12.710 7.489 ( 0.715 8.769 -4.862) 10.052 7.657 ( 0.297 -1.017 -0.407) 1.135 7.716 ( -2.721 -0.324 2.842) 3.947 7.995 ( 6.742 -2.740 -4.643) 8.633 8.249 ( -0.848 1.279 -0.996) 1.829 8.331 ( -3.838 -0.667 0.426) 3.918 8.480 ( 7.455 -11.789 7.223) 15.707 9.303 ( -3.990 -3.087 -3.653) 6.229 9.439 ( 3.992 1.907 3.115) 5.411 9.787 ( -5.329 -5.855 9.104) 12.065 10.038 ( 7.653 -14.095 -4.888) 16.767 10.537 ( -6.714 -4.014 3.532) 8.583 10.845 ( -2.098 -10.952 -5.860) 12.597 15.819 ( -1.463 4.096 1.223) 4.518 15.935 ( -1.929 1.077 -2.799) 3.566 16.572 ( 6.907 14.384 3.618) 16.362 16.699 ( 1.236 14.137 8.487) 16.535 16.812 ( 0.675 18.442 -3.542) 18.792 17.457 ( 9.112 6.100 -2.972) 11.361 18.089 ( -7.129 -4.958 -7.544) 11.503 18.411 ( -2.281 -10.474 -3.074) 11.151 19.188 ( -2.548 -5.052 7.901) 9.718 19.221 ( 1.353 -5.806 1.317) 6.106 ======================= Grid point 210 (112/125) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -1.325 9.739 1.536) 9.948 1.457 ( 1.232 6.302 0.168) 6.424 1.658 ( 0.057 8.932 5.497) 10.488 1.746 ( 0.276 -2.087 2.607) 3.351 1.822 ( -0.453 -1.002 -1.784) 2.095 1.898 ( -3.405 -4.279 0.642) 5.506 1.975 ( 2.126 -0.828 1.356) 2.654 2.104 ( 1.000 -5.482 1.079) 5.676 2.300 ( -0.706 0.912 2.439) 2.698 2.393 ( -0.646 -2.695 -0.366) 2.796 2.798 ( -0.469 0.897 -0.692) 1.226 2.937 ( 0.606 -5.864 -0.837) 5.954 3.101 ( -1.062 -1.145 -1.816) 2.395 3.181 ( -1.685 -4.514 -0.124) 4.820 3.782 ( -4.429 7.529 11.149) 14.164 3.839 ( -4.795 10.353 12.005) 16.562 3.957 ( 2.830 7.082 2.028) 7.891 4.042 ( 2.349 1.114 1.870) 3.202 4.204 ( -0.333 4.361 -9.455) 10.417 4.267 ( 4.303 -2.068 -2.040) 5.192 4.445 ( -4.203 -7.368 3.599) 9.214 4.531 ( 1.668 1.850 -2.072) 3.240 4.711 ( 0.206 5.312 -2.667) 5.947 4.733 ( 2.197 -5.300 -9.266) 10.899 4.852 ( -1.622 -1.895 -2.882) 3.812 4.983 ( 4.315 -4.401 -4.451) 7.602 6.221 ( 3.900 13.199 0.351) 13.767 6.234 ( -3.114 12.242 -0.930) 12.666 6.713 ( -0.762 9.375 -0.056) 9.406 6.789 ( 0.988 6.582 -0.748) 6.698 7.479 ( -2.742 7.673 11.213) 13.861 7.588 ( -3.948 5.196 2.431) 6.964 7.646 ( 0.441 -2.288 2.483) 3.405 7.759 ( 4.136 2.739 -8.450) 9.798 7.928 ( -3.928 -3.550 2.901) 6.037 8.130 ( 4.924 -8.313 -3.246) 10.193 8.321 ( -0.840 0.196 0.476) 0.985 8.402 ( -0.009 -5.518 1.409) 5.695 9.273 ( -1.882 4.709 -1.418) 5.265 9.551 ( -0.745 -1.919 0.867) 2.233 9.641 ( 0.137 -2.877 3.191) 4.299 9.899 ( 4.817 -10.974 -3.541) 12.497 10.391 ( -0.850 -0.882 1.116) 1.657 10.587 ( -0.325 -9.386 -3.084) 9.885 15.881 ( 0.399 1.924 1.646) 2.563 15.909 ( -0.972 0.395 -1.089) 1.512 16.990 ( -0.506 13.308 11.264) 17.442 17.059 ( 3.268 13.009 8.648) 15.960 17.179 ( -2.786 19.050 -7.557) 20.682 17.600 ( -1.348 6.357 -3.786) 7.521 17.812 ( -3.413 -10.162 -6.340) 12.454 18.146 ( 4.953 -15.470 -5.560) 17.169 19.087 ( -2.252 -2.331 5.643) 6.508 19.147 ( -0.468 -4.470 3.521) 5.709 ======================= Grid point 211 (113/125) ======================= q-point: ( 0.14 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -8.683 8.278 1.111) 12.048 1.560 ( 5.295 5.130 -0.032) 7.373 1.620 ( -9.918 -3.205 -0.149) 10.424 1.737 ( 2.788 7.374 4.554) 9.104 1.790 ( 1.877 -0.331 -0.507) 1.972 1.914 ( -1.106 -4.677 5.591) 7.373 2.051 ( 4.848 0.564 -1.643) 5.150 2.155 ( 4.166 -2.314 -1.518) 5.001 2.338 ( 2.498 0.010 2.584) 3.594 2.371 ( -1.191 -2.367 0.644) 2.727 2.815 ( 2.070 3.332 0.424) 3.945 2.936 ( 0.176 -4.147 -1.734) 4.498 3.093 ( 2.877 1.334 2.222) 3.872 3.280 ( 7.823 -8.016 2.866) 11.561 3.655 ( -9.024 5.969 2.781) 11.171 3.803 ( -5.790 12.714 18.917) 23.517 3.975 ( -8.039 -5.389 -1.027) 9.733 4.110 ( 6.921 4.938 1.568) 8.646 4.168 ( -1.356 5.605 -8.342) 10.141 4.258 ( 0.380 6.625 -5.192) 8.425 4.379 ( -5.244 -9.505 6.795) 12.807 4.582 ( 4.532 -0.390 -4.444) 6.359 4.701 ( -2.381 -6.543 -0.191) 6.965 4.748 ( 3.720 -3.137 -5.118) 7.062 4.881 ( 7.858 5.773 -6.107) 11.506 5.069 ( 6.249 -1.750 -5.952) 8.806 6.160 ( -3.603 15.401 -1.554) 15.893 6.290 ( 2.928 10.765 -0.259) 11.159 6.659 ( -3.205 12.302 0.581) 12.726 6.860 ( 5.147 4.360 -1.760) 6.972 7.456 ( -4.989 7.038 12.718) 15.368 7.547 ( -1.393 4.112 -0.783) 4.412 7.674 ( 1.804 -0.810 0.776) 2.124 7.772 ( -3.129 -4.651 5.376) 7.766 7.903 ( 3.455 5.453 -7.497) 9.893 8.219 ( 5.204 -5.257 -2.987) 7.977 8.316 ( 0.557 -2.767 0.087) 2.824 8.362 ( -4.440 -4.018 0.737) 6.034 9.203 ( -4.485 0.397 2.317) 5.064 9.487 ( -7.766 -6.952 2.570) 10.735 9.651 ( -0.173 -1.477 -0.898) 1.737 9.899 ( 0.811 -7.776 -8.657) 11.665 10.480 ( 7.270 -3.313 2.542) 8.384 10.584 ( 1.184 -7.766 -1.747) 8.048 15.892 ( -0.111 1.200 -0.702) 1.395 15.910 ( 1.338 0.666 2.059) 2.544 16.936 ( -8.975 13.760 2.846) 16.673 17.070 ( -1.417 18.106 -0.399) 18.166 17.150 ( -2.097 9.928 5.858) 11.716 17.515 ( -4.657 12.314 -3.229) 13.556 17.791 ( 2.211 -11.102 3.092) 11.735 18.228 ( 6.894 -15.563 -9.427) 19.458 19.080 ( -1.617 -2.593 6.249) 6.956 19.139 ( -2.081 -5.090 3.248) 6.387 ======================= Grid point 212 (114/125) ======================= q-point: ( 0.29 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -8.023 6.371 1.097) 10.303 1.391 ( -11.257 -2.542 -3.762) 12.138 1.645 ( 2.283 0.481 1.993) 3.068 1.831 ( 4.013 7.135 2.774) 8.643 1.864 ( 4.505 -1.817 0.951) 4.950 1.909 ( -1.336 -2.352 5.454) 6.088 2.116 ( 2.512 0.136 -0.321) 2.537 2.247 ( 5.426 -1.149 -1.011) 5.638 2.343 ( -0.753 2.289 1.931) 3.088 2.428 ( 3.961 -1.607 1.387) 4.494 2.865 ( 2.183 7.982 1.463) 8.403 2.950 ( 2.277 1.642 -1.956) 3.421 3.217 ( 6.765 0.145 3.339) 7.546 3.429 ( 1.427 -6.713 7.033) 9.827 3.550 ( 0.912 1.173 0.094) 1.489 3.784 ( -7.263 0.337 -2.665) 7.744 3.800 ( -5.753 4.646 15.208) 16.910 4.022 ( -8.497 4.637 -0.456) 9.691 4.172 ( -0.864 2.947 -3.637) 4.760 4.280 ( 0.630 -3.369 -8.653) 9.307 4.338 ( -0.561 -2.614 10.028) 10.378 4.629 ( 2.725 2.921 -0.372) 4.012 4.689 ( 2.349 -8.758 -5.927) 10.833 4.799 ( 3.506 -3.280 -1.491) 5.027 5.025 ( 8.580 7.429 -6.929) 13.297 5.139 ( 3.768 1.267 -6.444) 7.571 6.086 ( -3.046 17.638 -1.576) 17.968 6.326 ( 1.182 9.427 -1.151) 9.571 6.610 ( -2.177 15.374 0.455) 15.534 6.945 ( 4.424 3.182 -2.595) 6.036 7.435 ( -3.644 5.340 11.212) 12.943 7.523 ( -0.479 2.684 0.587) 2.789 7.699 ( -2.066 -0.321 2.087) 2.954 7.745 ( 0.559 -0.690 4.728) 4.811 7.934 ( 2.649 5.507 -7.528) 9.696 8.217 ( -7.882 -5.764 -2.921) 10.192 8.300 ( 3.366 3.065 2.363) 5.129 8.389 ( 5.821 -3.334 -1.881) 6.967 9.150 ( -2.936 -6.055 4.925) 8.339 9.285 ( -11.811 -6.678 -0.340) 13.573 9.631 ( -0.760 -5.588 -1.854) 5.936 9.879 ( 1.062 -9.996 -9.047) 13.524 10.609 ( 1.605 -4.961 2.180) 5.651 10.634 ( 6.762 -4.891 -0.844) 8.388 15.895 ( 0.564 1.373 -0.243) 1.504 15.949 ( 1.332 -0.809 1.847) 2.417 16.761 ( -8.141 14.479 -0.562) 16.621 17.023 ( -2.494 6.851 -2.827) 7.819 17.118 ( -5.103 16.263 12.229) 20.977 17.406 ( -3.942 18.145 -5.049) 19.242 17.891 ( 3.985 -11.085 7.699) 14.072 18.306 ( 6.139 -16.467 -10.731) 20.592 19.084 ( -1.344 -3.127 5.001) 6.050 19.108 ( -2.535 -5.035 4.478) 7.199 ======================= Grid point 213 (115/125) ======================= q-point: ( 0.43 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -2.739 5.292 2.010) 6.288 1.180 ( -7.334 -0.734 -4.351) 8.559 1.674 ( -0.347 -1.452 3.274) 3.599 1.838 ( -1.846 -5.923 0.645) 6.237 1.932 ( -0.212 1.485 5.287) 5.496 1.985 ( 3.975 2.005 2.348) 5.034 2.175 ( 4.501 3.690 1.209) 5.944 2.288 ( -2.412 2.559 0.127) 3.519 2.370 ( 2.839 1.836 0.020) 3.381 2.500 ( 2.122 -3.185 1.248) 4.025 2.904 ( 0.387 12.690 2.377) 12.917 2.986 ( 2.344 7.087 -3.482) 8.237 3.330 ( 3.351 -2.935 1.610) 4.737 3.435 ( -2.367 -4.053 8.648) 9.840 3.576 ( -2.112 -1.337 -2.210) 3.336 3.737 ( 6.719 -5.751 -1.719) 9.010 3.778 ( -3.833 6.364 3.989) 8.432 3.896 ( -6.404 5.241 12.958) 15.375 4.060 ( -7.089 -4.698 -2.186) 8.781 4.260 ( 2.110 0.285 -8.421) 8.686 4.375 ( -0.936 -4.979 8.131) 9.580 4.680 ( 1.907 -6.334 -5.301) 8.477 4.736 ( 6.348 2.385 -3.757) 7.753 4.855 ( 1.729 0.816 0.183) 1.920 5.095 ( 1.480 6.235 -7.000) 9.490 5.155 ( 1.651 2.351 -6.160) 6.797 6.035 ( -1.249 18.410 -1.165) 18.489 6.330 ( -0.069 9.110 -1.017) 9.167 6.579 ( -1.017 17.177 0.141) 17.208 6.997 ( 2.233 2.796 -3.037) 4.694 7.417 ( -3.200 5.048 8.405) 10.314 7.544 ( 0.787 -0.856 4.806) 4.945 7.664 ( -1.013 4.834 0.739) 4.994 7.812 ( 4.062 -0.966 0.961) 4.284 7.926 ( -0.814 3.755 -1.589) 4.158 8.040 ( -7.787 -1.051 -2.979) 8.403 8.377 ( 3.254 5.158 0.093) 6.099 8.497 ( 4.536 -2.278 -0.644) 5.116 9.040 ( -8.146 -4.943 2.102) 9.757 9.184 ( 0.969 -10.765 0.232) 10.811 9.614 ( 0.036 -9.164 -1.291) 9.255 9.833 ( -1.255 -14.421 -7.311) 16.217 10.641 ( 0.463 -2.027 1.529) 2.581 10.732 ( 3.424 -6.140 -0.917) 7.090 15.907 ( 0.637 1.243 -0.076) 1.399 15.973 ( 0.320 -1.804 1.166) 2.171 16.644 ( -3.448 14.548 0.220) 14.952 16.956 ( -4.464 0.400 3.353) 5.597 17.107 ( -0.530 20.082 8.303) 21.737 17.327 ( -0.580 22.283 -7.719) 23.589 17.991 ( 1.695 -12.307 8.371) 14.980 18.349 ( 3.780 -17.173 -11.471) 20.995 19.062 ( -2.334 -3.001 4.214) 5.675 19.108 ( -0.694 -4.918 5.157) 7.160 ======================= Grid point 214 (116/125) ======================= q-point: (-0.43 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 3.106 5.223 1.263) 6.207 1.111 ( 2.744 1.426 0.844) 3.206 1.672 ( -1.905 -1.527 4.319) 4.961 1.812 ( -1.307 -7.561 2.414) 8.044 1.937 ( -1.702 2.006 4.576) 5.279 1.996 ( -3.287 2.043 1.058) 4.012 2.199 ( -4.867 2.938 -1.347) 5.842 2.298 ( 5.776 4.160 -0.173) 7.120 2.375 ( -2.734 1.160 -0.634) 3.037 2.500 ( -2.855 -3.203 1.095) 4.428 2.897 ( -1.936 9.903 2.761) 10.462 2.997 ( 0.606 8.946 -4.317) 9.952 3.343 ( -3.920 -5.146 0.939) 6.537 3.471 ( 5.846 -4.091 6.778) 9.841 3.583 ( 1.523 0.721 -4.157) 4.486 3.740 ( -1.824 1.769 -0.099) 2.543 3.755 ( -3.551 0.977 -0.744) 3.758 3.885 ( -4.720 3.843 19.458) 20.388 4.009 ( 4.022 -6.069 2.166) 7.596 4.265 ( 3.608 3.948 -12.230) 13.348 4.400 ( -1.156 -7.608 10.280) 12.841 4.675 ( 2.318 -8.605 -12.402) 15.271 4.832 ( 2.511 4.014 -1.391) 4.935 4.840 ( -1.143 4.747 -3.623) 6.080 5.049 ( -3.012 4.790 -1.023) 5.750 5.128 ( -1.421 0.591 -5.869) 6.067 6.030 ( 1.130 17.948 -0.591) 17.994 6.319 ( -0.628 8.769 -0.026) 8.792 6.578 ( 0.921 17.415 0.191) 17.440 6.995 ( -0.932 2.895 -2.870) 4.182 7.408 ( -1.944 5.321 8.183) 9.953 7.578 ( 0.063 -4.362 4.349) 6.160 7.679 ( 2.587 8.522 -1.777) 9.082 7.854 ( -2.181 0.076 -3.030) 3.734 7.901 ( -1.988 1.785 -1.184) 2.923 7.959 ( 2.989 -0.342 6.179) 6.873 8.411 ( 0.891 4.853 -2.972) 5.760 8.485 ( -5.779 -1.541 0.398) 5.994 9.036 ( 7.026 -3.553 1.947) 8.110 9.217 ( 2.478 -9.806 -2.123) 10.335 9.621 ( 1.320 -10.715 -1.262) 10.869 9.772 ( -2.154 -14.755 -2.380) 15.100 10.631 ( -2.439 -0.932 1.874) 3.214 10.756 ( 0.046 -7.200 -2.686) 7.685 15.910 ( -0.300 1.273 -0.438) 1.380 15.977 ( -0.266 -1.974 0.715) 2.117 16.631 ( 1.505 14.126 1.577) 14.293 16.894 ( -4.257 3.788 7.902) 9.742 17.189 ( 4.289 17.093 5.953) 18.601 17.314 ( 4.606 22.681 -10.938) 25.598 18.034 ( -1.244 -13.517 6.834) 15.197 18.326 ( -0.091 -17.297 -11.900) 20.995 19.055 ( -0.810 -2.388 5.299) 5.868 19.119 ( -0.629 -4.878 3.925) 6.293 ======================= Grid point 215 (117/125) ======================= q-point: (-0.29 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 6.832 5.678 -0.023) 8.883 1.281 ( 10.453 3.710 6.714) 12.966 1.641 ( -3.586 -1.251 4.992) 6.272 1.803 ( -2.489 -0.701 3.504) 4.355 1.889 ( -4.678 1.572 -2.847) 5.697 1.926 ( -1.906 1.468 3.662) 4.382 2.109 ( -4.217 -1.513 1.224) 4.644 2.256 ( -6.973 -2.337 -2.020) 7.627 2.382 ( 2.126 2.175 -1.669) 3.469 2.424 ( -4.671 0.300 1.567) 4.936 2.869 ( -2.145 3.869 1.593) 4.702 2.967 ( -1.152 2.960 -3.780) 4.938 3.260 ( -4.980 -0.714 -0.679) 5.077 3.523 ( -8.485 -8.237 -1.477) 11.917 3.605 ( 1.998 2.557 -4.489) 5.538 3.671 ( 7.746 0.851 5.026) 9.273 3.820 ( 0.603 11.686 12.297) 16.975 3.940 ( 2.998 -0.803 12.474) 12.854 4.100 ( 1.096 -2.557 4.717) 5.476 4.271 ( 4.169 6.195 -15.049) 16.800 4.433 ( -0.525 -7.918 9.491) 12.372 4.625 ( -1.593 -4.004 -11.452) 12.236 4.765 ( 0.355 0.205 -11.101) 11.109 4.860 ( -0.869 3.016 0.322) 3.155 4.965 ( -4.920 2.950 -2.366) 6.205 5.060 ( -3.356 -1.063 -0.930) 3.641 6.070 ( 3.032 16.902 0.035) 17.171 6.307 ( -0.821 8.659 0.593) 8.718 6.614 ( 2.499 15.445 0.003) 15.646 6.937 ( -3.584 3.754 -1.841) 5.507 7.424 ( -0.752 5.541 7.981) 9.745 7.593 ( -0.006 -4.181 2.347) 4.795 7.714 ( 0.982 10.565 -3.081) 11.049 7.796 ( -3.492 2.420 2.925) 5.158 7.869 ( 2.282 -0.937 -5.122) 5.685 8.093 ( 3.821 -8.245 9.577) 13.202 8.345 ( -5.424 0.839 -1.708) 5.748 8.398 ( -1.027 1.719 -3.002) 3.608 9.219 ( 5.354 -3.603 0.024) 6.453 9.290 ( 10.201 -2.503 -2.067) 10.705 9.650 ( 2.783 -11.737 -3.921) 12.684 9.730 ( -2.839 -9.400 5.168) 11.096 10.570 ( -4.724 -1.243 2.235) 5.372 10.710 ( -2.594 -8.399 -4.529) 9.888 15.894 ( -0.958 1.772 -0.304) 2.037 15.967 ( -1.036 -1.592 -0.041) 1.900 16.715 ( 5.647 13.534 3.814) 15.153 16.888 ( -1.035 7.350 9.986) 12.442 17.261 ( 1.133 22.680 0.285) 22.710 17.426 ( 11.020 12.509 -9.040) 18.964 18.016 ( -2.931 -13.139 2.288) 13.655 18.230 ( -3.582 -17.016 -9.934) 20.026 19.081 ( 0.396 -2.521 5.728) 6.271 19.121 ( -1.084 -4.088 3.153) 5.275 ======================= Grid point 216 (118/125) ======================= q-point: (-0.14 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 8.174 6.912 0.815) 10.735 1.490 ( 3.204 10.560 5.451) 12.308 1.624 ( 2.018 -5.655 6.601) 8.924 1.705 ( -5.344 8.746 -0.144) 10.251 1.838 ( -0.573 -1.161 -3.175) 3.429 1.935 ( 0.547 -1.466 4.386) 4.657 2.026 ( -5.815 -2.695 -0.661) 6.443 2.125 ( -4.661 -5.769 1.859) 7.646 2.340 ( -4.074 1.462 2.188) 4.851 2.400 ( 0.519 -0.819 -1.999) 2.222 2.831 ( -2.032 0.887 -0.396) 2.252 2.933 ( -0.342 -5.210 -1.565) 5.451 3.151 ( -4.081 1.747 -3.301) 5.532 3.324 ( -9.382 -5.854 -2.272) 11.290 3.697 ( 7.754 5.303 -2.044) 9.614 3.802 ( -1.983 8.278 18.609) 20.464 3.917 ( 4.864 5.878 7.928) 11.003 4.059 ( -5.899 5.240 1.124) 7.970 4.106 ( 7.312 -4.245 7.402) 11.237 4.268 ( 2.480 4.822 -13.957) 14.973 4.471 ( -0.076 -6.111 5.150) 7.992 4.538 ( -1.181 -1.115 -6.763) 6.956 4.736 ( 1.816 -3.550 -10.545) 11.274 4.797 ( -6.060 6.345 0.706) 8.802 4.883 ( 0.657 -3.294 -7.631) 8.337 4.990 ( -3.403 -2.928 0.615) 4.531 6.141 ( 3.921 15.429 0.514) 15.928 6.286 ( -1.779 9.649 -0.043) 9.811 6.669 ( 3.277 11.786 -0.453) 12.242 6.849 ( -4.501 5.439 -0.666) 7.092 7.455 ( -0.508 6.253 8.495) 10.561 7.612 ( 0.572 -2.915 3.015) 4.233 7.676 ( -4.323 8.372 1.563) 9.551 7.746 ( 0.202 3.476 -4.781) 5.914 7.934 ( 4.505 -3.137 -3.886) 6.726 8.116 ( -4.441 -11.585 6.745) 14.122 8.320 ( 1.734 -0.280 -0.129) 1.761 8.376 ( 0.707 -0.414 -1.133) 1.398 9.271 ( 3.003 1.212 -4.551) 5.586 9.496 ( 7.040 2.247 2.245) 7.724 9.648 ( -2.100 -7.970 1.020) 8.305 9.769 ( 5.854 -10.115 1.978) 11.853 10.473 ( -6.160 -1.639 1.653) 6.585 10.632 ( -2.266 -9.333 -4.882) 10.773 15.878 ( -0.624 2.185 0.607) 2.352 15.939 ( -1.451 -0.605 -0.829) 1.777 16.873 ( 6.965 13.337 6.968) 16.581 16.947 ( 1.362 9.709 11.225) 14.904 17.253 ( -0.895 23.516 -4.612) 23.981 17.574 ( 6.818 5.849 -6.226) 10.930 17.938 ( -3.917 -9.778 -8.207) 13.354 18.129 ( -1.859 -17.263 -2.979) 17.617 19.104 ( -1.993 -2.799 5.220) 6.249 19.124 ( 0.594 -3.509 3.584) 5.050 ======================= Grid point 217 (119/125) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.426 -1.939 1.341) 2.395 1.546 ( 0.426 1.939 1.341) 2.395 1.717 ( -1.825 -3.997 -1.035) 4.514 1.717 ( -1.825 3.997 -1.035) 4.514 1.819 ( -0.637 -4.813 3.300) 5.870 1.819 ( -0.637 4.813 3.300) 5.870 2.011 ( 2.290 -3.411 1.573) 4.399 2.011 ( 2.290 3.411 1.573) 4.399 2.335 ( -1.404 -2.649 1.099) 3.193 2.335 ( -1.404 2.649 1.099) 3.193 2.836 ( 0.801 -3.403 -0.110) 3.498 2.836 ( 0.801 3.403 -0.110) 3.498 3.112 ( -1.975 -2.037 -1.226) 3.091 3.112 ( -1.975 2.037 -1.226) 3.091 3.897 ( -3.735 -3.990 10.847) 12.146 3.897 ( -3.735 3.990 10.847) 12.146 4.117 ( 4.945 -7.701 2.967) 9.621 4.117 ( 4.945 7.701 2.967) 9.621 4.187 ( -4.739 -11.021 1.509) 12.091 4.187 ( -4.739 11.021 1.509) 12.091 4.447 ( 3.751 -8.347 -9.201) 12.977 4.447 ( 3.751 8.347 -9.201) 12.977 4.737 ( -3.354 -4.157 -4.653) 7.083 4.737 ( -3.354 4.157 -4.653) 7.083 4.881 ( 4.534 -5.276 -3.058) 7.599 4.881 ( 4.534 5.276 -3.058) 7.599 6.368 ( 0.613 -0.233 -0.196) 0.685 6.368 ( 0.613 0.233 -0.196) 0.685 6.833 ( -0.090 -2.056 -0.168) 2.065 6.833 ( -0.090 2.056 -0.168) 2.065 7.595 ( 0.517 -3.387 4.245) 5.455 7.595 ( 0.517 3.387 4.245) 5.455 7.699 ( -6.243 -6.479 6.873) 11.322 7.699 ( -6.243 6.479 6.873) 11.322 7.973 ( 5.429 -6.555 -7.001) 11.021 7.973 ( 5.429 6.555 -7.001) 11.021 8.334 ( -0.893 -1.655 0.594) 1.972 8.334 ( -0.893 1.655 0.594) 1.972 9.408 ( -2.761 -7.993 -0.985) 8.514 9.408 ( -2.761 7.993 -0.985) 8.514 9.717 ( 3.707 -6.748 0.315) 7.706 9.717 ( 3.707 6.748 0.315) 7.706 10.434 ( -0.364 -5.204 -1.386) 5.398 10.434 ( -0.364 5.204 -1.386) 5.398 15.906 ( -0.288 -0.665 0.443) 0.849 15.906 ( -0.288 0.665 0.443) 0.849 17.169 ( 0.854 -2.866 13.756) 14.077 17.169 ( 0.854 2.866 13.756) 14.077 17.543 ( -5.657 -15.980 -8.881) 19.138 17.543 ( -5.657 15.980 -8.881) 19.138 17.818 ( 5.216 -15.242 -6.371) 17.324 17.818 ( 5.216 15.242 -6.371) 17.324 19.082 ( -1.632 -1.710 4.673) 5.236 19.082 ( -1.632 1.710 4.673) 5.236 ======================= Grid point 219 (120/125) ======================= q-point: ( 0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -8.992 -8.855 0.922) 12.654 1.455 ( -8.992 8.855 0.922) 12.654 1.708 ( 1.410 -6.314 -0.149) 6.471 1.708 ( 1.410 6.314 -0.149) 6.471 1.859 ( 1.682 -3.291 4.922) 6.155 1.859 ( 1.682 3.291 4.922) 6.155 2.088 ( 5.008 -3.528 -2.982) 6.813 2.088 ( 5.008 3.528 -2.982) 6.813 2.339 ( 0.848 -0.582 2.735) 2.923 2.339 ( 0.848 0.582 2.735) 2.923 2.868 ( 3.185 -2.582 -1.340) 4.314 2.868 ( 3.185 2.582 -1.340) 4.314 3.151 ( 4.897 -4.585 3.334) 7.492 3.151 ( 4.897 4.585 3.334) 7.492 3.801 ( -9.252 -7.735 5.313) 13.178 3.801 ( -9.252 7.735 5.313) 13.178 4.107 ( -5.604 -12.764 9.408) 16.818 4.107 ( -5.604 12.764 9.408) 16.818 4.200 ( 1.206 -3.001 -2.599) 4.150 4.200 ( 1.206 3.001 -2.599) 4.150 4.470 ( 3.129 -10.065 -7.842) 13.138 4.470 ( 3.129 10.065 -7.842) 13.138 4.668 ( -0.291 -3.696 -2.236) 4.330 4.668 ( -0.291 3.696 -2.236) 4.330 5.002 ( 8.832 -4.917 -5.699) 11.604 5.002 ( 8.832 4.917 -5.699) 11.604 6.370 ( 0.014 -3.733 -1.314) 3.958 6.370 ( 0.014 3.733 -1.314) 3.958 6.845 ( 1.299 -5.473 -0.133) 5.627 6.845 ( 1.299 5.473 -0.133) 5.627 7.566 ( -4.790 -3.050 4.676) 7.357 7.566 ( -4.790 3.050 4.676) 7.357 7.683 ( 0.123 -2.508 6.762) 7.213 7.683 ( 0.123 2.508 6.762) 7.213 8.049 ( 5.769 -8.464 -8.593) 13.370 8.049 ( 5.769 8.464 -8.593) 13.370 8.317 ( -0.970 -1.770 1.956) 2.811 8.317 ( -0.970 1.770 1.956) 2.811 9.292 ( -8.691 -8.292 2.814) 12.337 9.292 ( -8.691 8.292 2.814) 12.337 9.745 ( 0.134 -7.113 -5.117) 8.764 9.745 ( 0.134 7.113 -5.117) 8.764 10.473 ( 4.311 -2.791 0.004) 5.135 10.473 ( 4.311 2.791 0.004) 5.135 15.910 ( 0.322 -0.529 0.760) 0.980 15.910 ( 0.322 0.529 0.760) 0.980 17.145 ( -8.002 -6.205 4.768) 11.193 17.145 ( -8.002 6.205 4.768) 11.193 17.467 ( -0.950 -17.392 3.660) 17.798 17.467 ( -0.950 17.392 3.660) 17.798 17.879 ( 5.492 -18.138 -9.738) 21.307 17.879 ( 5.492 18.138 -9.738) 21.307 19.069 ( -2.285 -1.600 5.399) 6.077 19.069 ( -2.285 1.600 5.399) 6.077 ======================= Grid point 221 (121/125) ======================= q-point: ( 0.29 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -9.457 -8.111 0.301) 12.462 1.268 ( -9.457 8.111 0.301) 12.462 1.729 ( 0.014 -6.564 -0.375) 6.574 1.729 ( 0.014 6.564 -0.375) 6.574 1.924 ( 2.292 -0.821 5.149) 5.696 1.924 ( 2.292 0.821 5.149) 5.696 2.167 ( 4.845 -5.065 -1.780) 7.232 2.167 ( 4.845 5.065 -1.780) 7.232 2.390 ( 2.495 -2.180 2.184) 3.968 2.390 ( 2.495 2.180 2.184) 3.968 2.953 ( 5.886 -1.665 -1.096) 6.215 2.953 ( 5.886 1.665 -1.096) 6.215 3.291 ( 5.539 -6.230 5.726) 10.113 3.291 ( 5.539 6.230 5.726) 10.113 3.639 ( -7.162 -6.830 -0.406) 9.905 3.639 ( -7.162 6.830 -0.406) 9.905 4.046 ( -6.136 -12.304 7.691) 15.754 4.046 ( -6.136 12.304 7.691) 15.754 4.141 ( -5.650 -5.922 3.751) 9.003 4.141 ( -5.650 5.922 3.751) 9.003 4.487 ( 3.216 -10.379 -10.881) 15.377 4.487 ( 3.216 10.379 -10.881) 15.377 4.717 ( 4.743 -4.764 1.319) 6.851 4.717 ( 4.743 4.764 1.319) 6.851 5.128 ( 6.661 -2.659 -7.076) 10.075 5.128 ( 6.661 2.659 -7.076) 10.075 6.355 ( -0.582 -7.017 -2.094) 7.346 6.355 ( -0.582 7.017 -2.094) 7.346 6.874 ( 1.624 -9.518 -0.633) 9.676 6.874 ( 1.624 9.518 -0.633) 9.676 7.509 ( -3.624 -2.684 6.165) 7.638 7.509 ( -3.624 2.684 6.165) 7.638 7.726 ( 1.251 -1.550 4.020) 4.487 7.726 ( 1.251 1.550 4.020) 4.487 8.067 ( -0.504 -7.436 -5.887) 9.498 8.067 ( -0.504 7.436 -5.887) 9.498 8.355 ( 4.460 -2.223 1.077) 5.099 8.355 ( 4.460 2.223 1.077) 5.099 9.132 ( -8.772 -5.068 3.619) 10.758 9.132 ( -8.772 5.068 3.619) 10.758 9.684 ( -2.680 -8.056 -6.871) 10.922 9.684 ( -2.680 8.056 -6.871) 10.922 10.571 ( 4.860 -1.051 0.476) 4.995 10.571 ( 4.860 1.051 0.476) 4.995 15.924 ( 0.582 -1.444 0.829) 1.764 15.924 ( 0.582 1.444 0.829) 1.764 16.990 ( -7.810 -7.437 0.529) 10.798 16.990 ( -7.810 7.437 0.529) 10.798 17.476 ( -2.055 -15.329 8.696) 17.743 17.476 ( -2.055 15.329 8.696) 17.743 17.936 ( 5.430 -18.262 -9.961) 21.499 17.936 ( 5.430 18.262 -9.961) 21.499 19.052 ( -2.228 -0.425 5.654) 6.092 19.052 ( -2.228 0.425 5.654) 6.092 ======================= Grid point 223 (122/125) ======================= q-point: ( 0.43 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -4.321 -4.961 -0.342) 6.588 1.126 ( -4.321 4.961 -0.342) 6.588 1.704 ( -2.012 -4.855 0.844) 5.323 1.704 ( -2.012 4.855 0.844) 5.323 1.980 ( 0.461 -2.152 4.429) 4.946 1.980 ( 0.461 2.152 4.429) 4.946 2.270 ( 5.388 -4.407 0.239) 6.964 2.270 ( 5.388 4.407 0.239) 6.964 2.423 ( -0.316 -3.699 0.710) 3.780 2.423 ( -0.316 3.699 0.710) 3.780 3.060 ( 4.402 -1.865 -0.714) 4.834 3.060 ( 4.402 1.865 -0.714) 4.834 3.333 ( -3.452 -4.333 3.839) 6.740 3.333 ( -3.452 4.333 3.839) 6.740 3.613 ( 4.546 -4.593 0.660) 6.496 3.613 ( 4.546 4.593 0.660) 6.496 3.919 ( -6.807 -7.350 -3.707) 10.682 3.919 ( -6.807 7.350 -3.707) 10.682 4.093 ( -4.626 -11.138 16.913) 20.773 4.093 ( -4.626 11.138 16.913) 20.773 4.487 ( 3.320 -9.800 -13.489) 17.000 4.487 ( 3.320 9.800 -13.489) 17.000 4.825 ( 4.369 -3.480 2.939) 6.312 4.825 ( 4.369 3.480 2.939) 6.312 5.170 ( 1.357 -1.230 -7.642) 7.858 5.170 ( 1.357 1.230 -7.642) 7.858 6.332 ( -0.677 -8.764 -1.681) 8.950 6.332 ( -0.677 8.764 -1.681) 8.950 6.895 ( 0.909 -12.082 -1.216) 12.177 6.895 ( 0.909 12.082 -1.216) 12.177 7.487 ( -2.122 -2.827 6.622) 7.506 7.487 ( -2.122 2.827 6.622) 7.506 7.771 ( 2.092 -3.657 1.267) 4.400 7.771 ( 2.092 3.657 1.267) 4.400 8.001 ( -3.321 -3.084 -1.817) 4.883 8.001 ( -3.321 3.084 -1.817) 4.883 8.458 ( 4.209 -2.574 0.062) 4.935 8.458 ( 4.209 2.574 0.062) 4.935 9.018 ( -3.454 -3.977 2.096) 5.669 9.018 ( -3.454 3.977 2.096) 5.669 9.598 ( -2.219 -7.047 -5.633) 9.291 9.598 ( -2.219 7.048 -5.633) 9.291 10.644 ( 2.194 -2.353 0.157) 3.221 10.644 ( 2.194 2.353 0.157) 3.221 15.937 ( 0.312 -1.655 0.590) 1.784 15.937 ( 0.312 1.655 0.590) 1.784 16.877 ( -4.049 -7.974 1.581) 9.082 16.877 ( -4.049 7.974 1.581) 9.082 17.482 ( -0.905 -13.161 6.824) 14.852 17.482 ( -0.905 13.161 6.824) 14.852 17.975 ( 3.145 -16.447 -8.760) 18.898 17.975 ( 3.145 16.447 -8.760) 18.898 19.043 ( -1.541 -1.248 5.394) 5.747 19.043 ( -1.541 1.248 5.394) 5.747 ======================= Grid point 225 (123/125) ======================= q-point: (-0.43 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 3.612 -2.006 0.403) 4.151 1.118 ( 3.612 2.006 0.403) 4.151 1.681 ( -1.241 -3.665 3.229) 5.039 1.681 ( -1.241 3.665 3.229) 5.039 1.987 ( -1.754 -2.262 3.806) 4.762 1.987 ( -1.754 2.262 3.806) 4.762 2.291 ( -4.193 -4.648 -2.416) 6.710 2.291 ( -4.193 4.648 -2.416) 6.710 2.423 ( 0.788 -3.850 1.160) 4.097 2.423 ( 0.788 3.850 1.160) 4.097 3.052 ( -4.822 -4.400 0.275) 6.533 3.052 ( -4.822 4.400 0.275) 6.533 3.343 ( 3.350 -5.804 2.022) 7.000 3.343 ( 3.350 5.804 2.022) 7.000 3.661 ( -2.181 -5.022 -2.650) 6.082 3.661 ( -2.181 5.022 -2.650) 6.082 3.845 ( 2.001 -5.809 3.469) 7.056 3.845 ( 2.001 5.809 3.469) 7.056 4.120 ( -1.085 -11.918 14.761) 19.003 4.120 ( -1.085 11.918 14.761) 19.003 4.481 ( 3.396 -9.472 -14.649) 17.772 4.481 ( 3.396 9.472 -14.649) 17.772 4.886 ( 0.462 -0.445 -0.289) 0.703 4.886 ( 0.462 0.445 -0.289) 0.703 5.115 ( -3.059 -1.868 -4.477) 5.735 5.115 ( -3.059 1.868 -4.477) 5.735 6.318 ( -0.083 -8.599 -0.341) 8.606 6.318 ( -0.083 8.599 -0.341) 8.606 6.896 ( -0.126 -11.985 -1.316) 12.058 6.896 ( -0.126 11.985 -1.316) 12.058 7.490 ( -0.974 -3.590 6.162) 7.197 7.490 ( -0.974 3.590 6.162) 7.197 7.817 ( 2.657 -4.052 -2.483) 5.445 7.817 ( 2.657 4.052 -2.483) 5.445 7.942 ( -2.942 -1.679 3.353) 4.766 7.942 ( -2.942 1.679 3.353) 4.766 8.470 ( -2.768 -1.172 -0.916) 3.143 8.470 ( -2.768 1.172 -0.916) 3.143 9.053 ( 6.599 -5.314 -0.900) 8.520 9.053 ( 6.599 5.314 -0.900) 8.520 9.556 ( 0.013 -4.823 -1.943) 5.200 9.556 ( 0.013 4.823 -1.943) 5.200 10.651 ( -1.410 -3.065 -0.508) 3.411 10.651 ( -1.410 3.065 -0.508) 3.411 15.940 ( -0.226 -1.654 0.244) 1.687 15.940 ( -0.226 1.654 0.244) 1.687 16.851 ( -0.108 -7.075 4.012) 8.134 16.851 ( -0.108 7.075 4.012) 8.134 17.526 ( 2.900 -10.845 3.505) 11.760 17.526 ( 2.900 10.845 3.505) 11.760 17.959 ( -0.589 -14.679 -8.072) 16.762 17.959 ( -0.589 14.679 -8.072) 16.762 19.049 ( -0.589 -1.783 4.895) 5.243 19.049 ( -0.589 1.783 4.895) 5.243 ======================= Grid point 227 (124/125) ======================= q-point: (-0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 9.115 -5.782 1.675) 10.923 1.255 ( 9.115 5.782 1.675) 10.923 1.686 ( -0.441 -6.076 4.321) 7.469 1.686 ( -0.441 6.076 4.321) 7.469 1.956 ( -2.768 -0.409 2.117) 3.509 1.956 ( -2.768 0.409 2.117) 3.509 2.147 ( -8.247 -6.065 -0.829) 10.270 2.147 ( -8.247 6.065 -0.829) 10.270 2.420 ( -1.528 -1.290 -0.523) 2.067 2.420 ( -1.528 1.290 -0.523) 2.067 2.942 ( -5.776 -3.500 0.315) 6.761 2.942 ( -5.776 3.500 0.315) 6.761 3.355 ( -4.768 -7.841 -0.720) 9.205 3.355 ( -4.768 7.841 -0.720) 9.205 3.655 ( 6.298 -2.163 -2.695) 7.183 3.655 ( 6.298 2.163 -2.695) 7.183 3.943 ( 1.809 -2.955 13.203) 13.650 3.943 ( 1.809 2.955 13.203) 13.650 4.189 ( 1.868 -11.345 7.707) 13.842 4.189 ( 1.868 11.345 7.707) 13.842 4.466 ( 2.583 -9.024 -14.652) 17.401 4.466 ( 2.583 9.024 -14.652) 17.401 4.839 ( -2.325 -3.956 -6.898) 8.285 4.839 ( -2.325 3.956 -6.898) 8.285 5.026 ( -5.362 -2.515 1.385) 6.082 5.026 ( -5.362 2.515 1.385) 6.082 6.327 ( 0.806 -6.856 0.686) 6.937 6.327 ( 0.806 6.856 0.686) 6.937 6.878 ( -1.089 -9.192 -0.985) 9.308 6.878 ( -1.089 9.192 -0.985) 9.308 7.511 ( 0.153 -3.646 5.327) 6.457 7.511 ( 0.153 3.646 5.327) 6.457 7.836 ( 1.195 -2.077 -5.545) 6.041 7.836 ( 1.195 2.077 -5.545) 6.041 7.920 ( -2.524 -8.476 7.731) 11.747 7.920 ( -2.524 8.476 7.731) 11.747 8.390 ( -3.252 -2.707 -2.179) 4.759 8.390 ( -3.252 2.707 -2.179) 4.759 9.219 ( 10.631 -3.836 -4.280) 12.085 9.219 ( 10.631 3.836 -4.280) 12.085 9.576 ( 1.491 -4.234 3.002) 5.400 9.576 ( 1.491 4.234 3.002) 5.400 10.589 ( -4.179 -3.392 -1.312) 5.540 10.589 ( -4.179 3.392 -1.312) 5.540 15.931 ( -0.723 -1.847 0.034) 1.984 15.931 ( -0.723 1.847 0.034) 1.984 16.912 ( 3.224 -4.920 7.383) 9.440 16.912 ( 3.224 4.920 7.383) 9.440 17.623 ( 5.854 -8.720 -0.700) 10.526 17.623 ( 5.854 8.720 -0.700) 10.526 17.870 ( -4.291 -12.859 -7.668) 15.574 17.870 ( -4.291 12.859 -7.668) 15.574 19.067 ( -0.133 -1.093 4.356) 4.493 19.067 ( -0.133 1.093 4.356) 4.493 ======================= Grid point 229 (125/125) ======================= q-point: (-0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 8.029 -8.967 2.377) 12.269 1.445 ( 8.029 8.967 2.377) 12.269 1.707 ( 1.370 -9.388 1.219) 9.566 1.707 ( 1.370 9.388 1.219) 9.566 1.891 ( -5.059 -6.278 -0.269) 8.067 1.891 ( -5.059 6.278 -0.269) 8.067 2.015 ( -4.736 -2.942 4.302) 7.042 2.015 ( -4.736 2.942 4.302) 7.042 2.375 ( -2.386 -1.773 -0.683) 3.050 2.375 ( -2.386 1.773 -0.683) 3.050 2.853 ( -3.038 -2.262 0.439) 3.813 2.853 ( -3.038 2.262 0.439) 3.813 3.217 ( -6.539 -4.410 -3.388) 8.584 3.217 ( -6.539 4.410 -3.388) 8.584 3.813 ( 7.716 -4.664 2.301) 9.305 3.813 ( 7.716 4.664 2.301) 9.305 4.028 ( -0.511 -3.337 15.798) 16.154 4.028 ( -0.511 3.337 15.798) 16.154 4.241 ( 0.099 -11.164 0.640) 11.183 4.241 ( 0.099 11.164 0.640) 11.183 4.437 ( 2.250 -7.466 -12.217) 14.494 4.437 ( 2.250 7.466 -12.217) 14.494 4.779 ( 0.961 -5.741 -8.817) 10.565 4.779 ( 0.961 5.741 -8.817) 10.565 4.918 ( -6.247 -4.714 2.061) 8.093 4.918 ( -6.247 4.714 2.061) 8.093 6.350 ( 1.032 -3.962 0.647) 4.145 6.350 ( 1.032 3.962 0.647) 4.145 6.849 ( -1.220 -5.141 -0.546) 5.312 6.849 ( -1.220 5.141 -0.546) 5.312 7.550 ( 1.086 -3.396 4.985) 6.129 7.550 ( 1.086 3.396 4.985) 6.129 7.795 ( -4.748 -3.066 2.190) 6.062 7.795 ( -4.748 3.066 2.190) 6.062 7.923 ( 1.566 -5.575 -1.052) 5.885 7.923 ( 1.566 5.575 -1.052) 5.885 8.346 ( -0.600 -2.280 -1.239) 2.664 8.346 ( -0.600 2.280 -1.239) 2.664 9.380 ( 7.402 -9.124 -5.973) 13.180 9.380 ( 7.402 9.124 -5.973) 13.180 9.635 ( 2.283 -4.607 5.760) 7.721 9.635 ( 2.283 4.607 5.760) 7.721 10.493 ( -4.242 -3.975 -1.904) 6.117 10.493 ( -4.242 3.975 -1.904) 6.117 15.916 ( -0.769 -1.564 0.121) 1.747 15.916 ( -0.769 1.564 0.121) 1.747 17.039 ( 4.514 -1.854 11.351) 12.356 17.039 ( 4.514 1.854 11.351) 12.356 17.709 ( -0.556 -15.470 -16.170) 22.386 17.709 ( -0.556 15.470 -16.170) 22.386 17.742 ( 0.112 -13.864 3.499) 14.299 17.742 ( 0.112 13.864 3.499) 14.299 19.082 ( -0.629 -0.583 4.177) 4.264 19.082 ( -0.629 0.583 4.177) 4.264 =================== 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 3/21168 10.0 348.861 377.681 463.886 0.000 72.789 0.000 3/21168 20.0 69.199 98.797 119.955 0.000 3.187 0.000 3/21168 30.0 32.499 47.903 58.092 0.000 -0.140 0.000 3/21168 40.0 19.923 29.395 35.748 0.000 -0.493 0.000 3/21168 50.0 13.916 20.499 25.058 0.000 -0.509 0.000 3/21168 60.0 10.517 15.490 19.011 0.000 -0.465 0.000 3/21168 70.0 8.382 12.361 15.202 0.000 -0.413 0.000 3/21168 80.0 6.941 10.256 12.618 0.000 -0.366 0.000 3/21168 90.0 5.913 8.759 10.767 0.000 -0.326 0.000 3/21168 100.0 5.148 7.647 9.384 0.000 -0.293 0.000 3/21168 110.0 4.560 6.791 8.316 0.000 -0.265 0.000 3/21168 120.0 4.095 6.114 7.467 0.000 -0.241 0.000 3/21168 130.0 3.717 5.565 6.779 0.000 -0.221 0.000 3/21168 140.0 3.406 5.112 6.209 0.000 -0.204 0.000 3/21168 150.0 3.144 4.731 5.730 0.000 -0.190 0.000 3/21168 160.0 2.921 4.406 5.321 0.000 -0.177 0.000 3/21168 170.0 2.729 4.126 4.969 0.000 -0.166 0.000 3/21168 180.0 2.561 3.882 4.662 0.000 -0.156 0.000 3/21168 190.0 2.414 3.667 4.392 0.000 -0.148 0.000 3/21168 200.0 2.283 3.476 4.153 0.000 -0.140 0.000 3/21168 210.0 2.166 3.305 3.939 0.000 -0.133 0.000 3/21168 220.0 2.061 3.152 3.747 0.000 -0.127 0.000 3/21168 230.0 1.966 3.012 3.574 0.000 -0.121 0.000 3/21168 240.0 1.880 2.886 3.416 0.000 -0.116 0.000 3/21168 250.0 1.801 2.770 3.272 0.000 -0.112 0.000 3/21168 260.0 1.729 2.663 3.140 0.000 -0.107 0.000 3/21168 270.0 1.662 2.565 3.019 0.000 -0.103 0.000 3/21168 280.0 1.601 2.474 2.906 0.000 -0.100 0.000 3/21168 290.0 1.544 2.389 2.803 0.000 -0.096 0.000 3/21168 300.0 1.491 2.310 2.706 0.000 -0.093 0.000 3/21168 310.0 1.442 2.237 2.616 0.000 -0.090 0.000 3/21168 320.0 1.396 2.168 2.532 0.000 -0.087 0.000 3/21168 330.0 1.352 2.103 2.453 0.000 -0.085 0.000 3/21168 340.0 1.312 2.042 2.380 0.000 -0.082 0.000 3/21168 350.0 1.274 1.985 2.310 0.000 -0.080 0.000 3/21168 360.0 1.238 1.931 2.245 0.000 -0.078 0.000 3/21168 370.0 1.204 1.879 2.183 0.000 -0.076 0.000 3/21168 380.0 1.172 1.831 2.124 0.000 -0.074 0.000 3/21168 390.0 1.141 1.785 2.069 0.000 -0.072 0.000 3/21168 400.0 1.112 1.741 2.017 0.000 -0.070 0.000 3/21168 410.0 1.085 1.699 1.967 0.000 -0.068 0.000 3/21168 420.0 1.059 1.659 1.919 0.000 -0.067 0.000 3/21168 430.0 1.034 1.621 1.874 0.000 -0.065 0.000 3/21168 440.0 1.010 1.585 1.831 0.000 -0.064 0.000 3/21168 450.0 0.987 1.551 1.790 0.000 -0.062 0.000 3/21168 460.0 0.966 1.518 1.751 0.000 -0.061 0.000 3/21168 470.0 0.945 1.486 1.713 0.000 -0.060 0.000 3/21168 480.0 0.925 1.455 1.677 0.000 -0.058 0.000 3/21168 490.0 0.906 1.426 1.642 0.000 -0.057 0.000 3/21168 500.0 0.888 1.398 1.609 0.000 -0.056 0.000 3/21168 510.0 0.871 1.371 1.578 0.000 -0.055 0.000 3/21168 520.0 0.854 1.345 1.547 0.000 -0.054 0.000 3/21168 530.0 0.838 1.320 1.518 0.000 -0.053 0.000 3/21168 540.0 0.822 1.296 1.489 0.000 -0.052 0.000 3/21168 550.0 0.807 1.273 1.462 0.000 -0.051 0.000 3/21168 560.0 0.792 1.250 1.436 0.000 -0.050 0.000 3/21168 570.0 0.778 1.229 1.411 0.000 -0.049 0.000 3/21168 580.0 0.765 1.208 1.386 0.000 -0.049 0.000 3/21168 590.0 0.752 1.188 1.362 0.000 -0.048 0.000 3/21168 600.0 0.739 1.168 1.340 0.000 -0.047 0.000 3/21168 610.0 0.727 1.149 1.318 0.000 -0.046 0.000 3/21168 620.0 0.715 1.131 1.296 0.000 -0.045 0.000 3/21168 630.0 0.704 1.113 1.276 0.000 -0.045 0.000 3/21168 640.0 0.693 1.096 1.256 0.000 -0.044 0.000 3/21168 650.0 0.682 1.079 1.236 0.000 -0.043 0.000 3/21168 660.0 0.672 1.063 1.217 0.000 -0.043 0.000 3/21168 670.0 0.662 1.048 1.199 0.000 -0.042 0.000 3/21168 680.0 0.652 1.032 1.181 0.000 -0.041 0.000 3/21168 690.0 0.643 1.018 1.164 0.000 -0.041 0.000 3/21168 700.0 0.634 1.003 1.148 0.000 -0.040 0.000 3/21168 710.0 0.625 0.989 1.131 0.000 -0.040 0.000 3/21168 720.0 0.616 0.976 1.116 0.000 -0.039 0.000 3/21168 730.0 0.607 0.962 1.100 0.000 -0.039 0.000 3/21168 740.0 0.599 0.950 1.085 0.000 -0.038 0.000 3/21168 750.0 0.591 0.937 1.071 0.000 -0.038 0.000 3/21168 760.0 0.583 0.925 1.057 0.000 -0.037 0.000 3/21168 770.0 0.576 0.913 1.043 0.000 -0.037 0.000 3/21168 780.0 0.568 0.901 1.030 0.000 -0.036 0.000 3/21168 790.0 0.561 0.890 1.017 0.000 -0.036 0.000 3/21168 800.0 0.554 0.879 1.004 0.000 -0.035 0.000 3/21168 810.0 0.547 0.868 0.991 0.000 -0.035 0.000 3/21168 820.0 0.541 0.858 0.979 0.000 -0.034 0.000 3/21168 830.0 0.534 0.847 0.967 0.000 -0.034 0.000 3/21168 840.0 0.528 0.837 0.956 0.000 -0.034 0.000 3/21168 850.0 0.522 0.828 0.945 0.000 -0.033 0.000 3/21168 860.0 0.515 0.818 0.934 0.000 -0.033 0.000 3/21168 870.0 0.510 0.809 0.923 0.000 -0.032 0.000 3/21168 880.0 0.504 0.800 0.912 0.000 -0.032 0.000 3/21168 890.0 0.498 0.791 0.902 0.000 -0.032 0.000 3/21168 900.0 0.493 0.782 0.892 0.000 -0.031 0.000 3/21168 910.0 0.487 0.773 0.882 0.000 -0.031 0.000 3/21168 920.0 0.482 0.765 0.873 0.000 -0.031 0.000 3/21168 930.0 0.477 0.757 0.863 0.000 -0.030 0.000 3/21168 940.0 0.472 0.749 0.854 0.000 -0.030 0.000 3/21168 950.0 0.467 0.741 0.845 0.000 -0.030 0.000 3/21168 960.0 0.462 0.733 0.836 0.000 -0.029 0.000 3/21168 970.0 0.457 0.726 0.828 0.000 -0.029 0.000 3/21168 980.0 0.452 0.719 0.819 0.000 -0.029 0.000 3/21168 990.0 0.448 0.711 0.811 0.000 -0.029 0.000 3/21168 1000.0 0.443 0.704 0.803 0.000 -0.028 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m787.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:28:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|