# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/5acd879c-252e-4c2b-a5c5-0cb49771866c/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for GaTe / C2/m (12) / materials id 542812](https://mdr.nims.go.jp/datasets/9242781b-7396-48c7-9ea6-78d34a957859) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 10:38:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)Number of symmetry operations in supercell: 48------------------------------ primitive cell ------------------------------Lattice vectors: a 8.591116705372707 -2.048537854999999 0.000000000000000 b 8.591116705372707 2.048537854999999 0.000000000000000 c -2.589450953922137 0.000000000000000 10.134759730081441Atomic positions (fractional): *1 Ga 0.13711266289731 0.13711266289731 0.91912292449480 69.723 2 Ga 0.86288733710270 0.86288733710269 0.08087707550520 69.723 *3 Ga 0.24162603244336 0.24162603244336 0.80105037441207 69.723 4 Ga 0.75837396755664 0.75837396755664 0.19894962558793 69.723 *5 Ga 0.56357863810547 0.56357863810546 0.58318114931671 69.723 6 Ga 0.43642136189454 0.43642136189454 0.41681885068329 69.723 *7 Te 0.15766936095857 0.15766936095857 0.55136649699862 127.600 8 Te 0.84233063904143 0.84233063904143 0.44863350300138 127.600 *9 Te 0.15660382002198 0.15660382002198 0.17759971618741 127.600 10 Te 0.84339617997802 0.84339617997802 0.82240028381259 127.600 *11 Te 0.53906347824908 0.53906347824907 0.82746408045602 127.600 12 Te 0.46093652175092 0.46093652175092 0.17253591954399 127.600-------------------------------- unit cell ---------------------------------Lattice vectors: a 17.182233410745415 0.000000000000000 0.000000000000000 b 0.000000000000000 4.097075709999999 0.000000000000000 c -2.589450953922137 0.000000000000000 10.134759730081441Atomic positions (fractional): *1 Ga 0.13711266289731 0.00000000000000 0.91912292449480 69.723 > 1 2 Ga 0.36288733710269 0.50000000000000 0.08087707550520 69.723 > 2 *3 Ga 0.24162603244336 0.00000000000000 0.80105037441207 69.723 > 3 4 Ga 0.25837396755664 0.50000000000000 0.19894962558793 69.723 > 4 *5 Ga 0.06357863810547 0.50000000000000 0.58318114931671 69.723 > 5 6 Ga 0.43642136189454 0.00000000000000 0.41681885068329 69.723 > 6 7 Ga 0.63711266289730 0.50000000000000 0.91912292449480 69.723 > 1 8 Ga 0.86288733710270 0.00000000000000 0.08087707550520 69.723 > 2 9 Ga 0.74162603244336 0.50000000000000 0.80105037441207 69.723 > 3 10 Ga 0.75837396755664 0.00000000000000 0.19894962558793 69.723 > 4 11 Ga 0.56357863810547 0.00000000000000 0.58318114931671 69.723 > 5 12 Ga 0.93642136189453 0.50000000000000 0.41681885068329 69.723 > 6 *13 Te 0.15766936095857 0.00000000000000 0.55136649699862 127.600 > 7 14 Te 0.34233063904143 0.50000000000000 0.44863350300138 127.600 > 8 *15 Te 0.15660382002198 0.00000000000000 0.17759971618741 127.600 > 9 16 Te 0.34339617997802 0.50000000000000 0.82240028381259 127.600 > 10 *17 Te 0.03906347824908 0.50000000000000 0.82746408045602 127.600 > 11 18 Te 0.46093652175092 0.00000000000000 0.17253591954399 127.600 > 12 19 Te 0.65766936095857 0.50000000000000 0.55136649699862 127.600 > 7 20 Te 0.84233063904143 0.00000000000000 0.44863350300138 127.600 > 8 21 Te 0.65660382002198 0.50000000000000 0.17759971618741 127.600 > 9 22 Te 0.84339617997802 0.00000000000000 0.82240028381259 127.600 > 10 23 Te 0.53906347824907 0.00000000000000 0.82746408045602 127.600 > 11 24 Te 0.96093652175093 0.50000000000000 0.17253591954399 127.600 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 17.182233410745415 0.000000000000000 0.000000000000000 b 0.000000000000000 12.291227129999996 0.000000000000000 c -5.178901907844274 0.000000000000000 20.269519460162883Atomic positions (fractional): *1 Ga 0.13711266289731 0.00000000000000 0.45956146224740 69.723 > 1 2 Ga 0.13711266289731 0.33333333333333 0.45956146224740 69.723 > 1 3 Ga 0.13711266289731 0.66666666666667 0.45956146224740 69.723 > 1 4 Ga 0.13711266289731 0.00000000000000 0.95956146224740 69.723 > 1 5 Ga 0.13711266289731 0.33333333333333 0.95956146224740 69.723 > 1 6 Ga 0.13711266289731 0.66666666666667 0.95956146224740 69.723 > 1 7 Ga 0.36288733710269 0.16666666666667 0.04043853775260 69.723 > 2 8 Ga 0.36288733710269 0.50000000000000 0.04043853775260 69.723 > 2 9 Ga 0.36288733710269 0.83333333333333 0.04043853775260 69.723 > 2 10 Ga 0.36288733710269 0.16666666666667 0.54043853775260 69.723 > 2 11 Ga 0.36288733710269 0.50000000000000 0.54043853775260 69.723 > 2 12 Ga 0.36288733710269 0.83333333333333 0.54043853775260 69.723 > 2 *13 Ga 0.24162603244336 0.00000000000000 0.40052518720604 69.723 > 3 14 Ga 0.24162603244336 0.33333333333333 0.40052518720604 69.723 > 3 15 Ga 0.24162603244336 0.66666666666667 0.40052518720604 69.723 > 3 16 Ga 0.24162603244336 0.00000000000000 0.90052518720604 69.723 > 3 17 Ga 0.24162603244336 0.33333333333333 0.90052518720604 69.723 > 3 18 Ga 0.24162603244336 0.66666666666667 0.90052518720604 69.723 > 3 19 Ga 0.25837396755664 0.16666666666667 0.09947481279397 69.723 > 4 20 Ga 0.25837396755664 0.50000000000000 0.09947481279397 69.723 > 4 21 Ga 0.25837396755664 0.83333333333333 0.09947481279397 69.723 > 4 22 Ga 0.25837396755664 0.16666666666667 0.59947481279396 69.723 > 4 23 Ga 0.25837396755664 0.50000000000000 0.59947481279396 69.723 > 4 24 Ga 0.25837396755664 0.83333333333333 0.59947481279396 69.723 > 4 *25 Ga 0.06357863810547 0.16666666666667 0.29159057465835 69.723 > 5 26 Ga 0.06357863810547 0.50000000000000 0.29159057465835 69.723 > 5 27 Ga 0.06357863810547 0.83333333333333 0.29159057465835 69.723 > 5 28 Ga 0.06357863810547 0.16666666666667 0.79159057465835 69.723 > 5 29 Ga 0.06357863810547 0.50000000000000 0.79159057465835 69.723 > 5 30 Ga 0.06357863810547 0.83333333333333 0.79159057465835 69.723 > 5 31 Ga 0.43642136189454 0.00000000000000 0.20840942534165 69.723 > 6 32 Ga 0.43642136189454 0.33333333333333 0.20840942534165 69.723 > 6 33 Ga 0.43642136189454 0.66666666666667 0.20840942534165 69.723 > 6 34 Ga 0.43642136189454 0.00000000000000 0.70840942534165 69.723 > 6 35 Ga 0.43642136189454 0.33333333333333 0.70840942534165 69.723 > 6 36 Ga 0.43642136189454 0.66666666666667 0.70840942534165 69.723 > 6 37 Ga 0.63711266289730 0.16666666666667 0.45956146224740 69.723 > 1 38 Ga 0.63711266289730 0.50000000000000 0.45956146224740 69.723 > 1 39 Ga 0.63711266289730 0.83333333333333 0.45956146224740 69.723 > 1 40 Ga 0.63711266289730 0.16666666666667 0.95956146224740 69.723 > 1 41 Ga 0.63711266289730 0.50000000000000 0.95956146224740 69.723 > 1 42 Ga 0.63711266289730 0.83333333333333 0.95956146224740 69.723 > 1 43 Ga 0.86288733710270 0.00000000000000 0.04043853775260 69.723 > 2 44 Ga 0.86288733710270 0.33333333333333 0.04043853775260 69.723 > 2 45 Ga 0.86288733710270 0.66666666666667 0.04043853775260 69.723 > 2 46 Ga 0.86288733710270 0.00000000000000 0.54043853775260 69.723 > 2 47 Ga 0.86288733710270 0.33333333333333 0.54043853775260 69.723 > 2 48 Ga 0.86288733710270 0.66666666666667 0.54043853775260 69.723 > 2 49 Ga 0.74162603244336 0.16666666666667 0.40052518720604 69.723 > 3 50 Ga 0.74162603244336 0.50000000000000 0.40052518720604 69.723 > 3 51 Ga 0.74162603244336 0.83333333333333 0.40052518720604 69.723 > 3 52 Ga 0.74162603244336 0.16666666666667 0.90052518720604 69.723 > 3 53 Ga 0.74162603244336 0.50000000000000 0.90052518720604 69.723 > 3 54 Ga 0.74162603244336 0.83333333333333 0.90052518720604 69.723 > 3 55 Ga 0.75837396755664 0.00000000000000 0.09947481279397 69.723 > 4 56 Ga 0.75837396755664 0.33333333333333 0.09947481279397 69.723 > 4 57 Ga 0.75837396755664 0.66666666666667 0.09947481279397 69.723 > 4 58 Ga 0.75837396755664 0.00000000000000 0.59947481279396 69.723 > 4 59 Ga 0.75837396755664 0.33333333333333 0.59947481279396 69.723 > 4 60 Ga 0.75837396755664 0.66666666666667 0.59947481279396 69.723 > 4 61 Ga 0.56357863810547 0.00000000000000 0.29159057465835 69.723 > 5 62 Ga 0.56357863810547 0.33333333333333 0.29159057465835 69.723 > 5 63 Ga 0.56357863810547 0.66666666666667 0.29159057465835 69.723 > 5 64 Ga 0.56357863810547 0.00000000000000 0.79159057465835 69.723 > 5 65 Ga 0.56357863810547 0.33333333333333 0.79159057465835 69.723 > 5 66 Ga 0.56357863810547 0.66666666666667 0.79159057465835 69.723 > 5 67 Ga 0.93642136189453 0.16666666666667 0.20840942534165 69.723 > 6 68 Ga 0.93642136189453 0.50000000000000 0.20840942534165 69.723 > 6 69 Ga 0.93642136189453 0.83333333333333 0.20840942534165 69.723 > 6 70 Ga 0.93642136189453 0.16666666666667 0.70840942534165 69.723 > 6 71 Ga 0.93642136189453 0.50000000000000 0.70840942534165 69.723 > 6 72 Ga 0.93642136189453 0.83333333333333 0.70840942534165 69.723 > 6 *73 Te 0.15766936095857 0.00000000000000 0.27568324849931 127.600 > 7 74 Te 0.15766936095857 0.33333333333333 0.27568324849931 127.600 > 7 75 Te 0.15766936095857 0.66666666666667 0.27568324849931 127.600 > 7 76 Te 0.15766936095857 0.00000000000000 0.77568324849931 127.600 > 7 77 Te 0.15766936095857 0.33333333333333 0.77568324849931 127.600 > 7 78 Te 0.15766936095857 0.66666666666667 0.77568324849931 127.600 > 7 79 Te 0.34233063904143 0.16666666666667 0.22431675150069 127.600 > 8 80 Te 0.34233063904143 0.50000000000000 0.22431675150069 127.600 > 8 81 Te 0.34233063904143 0.83333333333333 0.22431675150069 127.600 > 8 82 Te 0.34233063904143 0.16666666666667 0.72431675150069 127.600 > 8 83 Te 0.34233063904143 0.50000000000000 0.72431675150069 127.600 > 8 84 Te 0.34233063904143 0.83333333333333 0.72431675150069 127.600 > 8 *85 Te 0.15660382002198 0.00000000000000 0.08879985809370 127.600 > 9 86 Te 0.15660382002198 0.33333333333333 0.08879985809370 127.600 > 9 87 Te 0.15660382002198 0.66666666666667 0.08879985809370 127.600 > 9 88 Te 0.15660382002198 0.00000000000000 0.58879985809371 127.600 > 9 89 Te 0.15660382002198 0.33333333333333 0.58879985809371 127.600 > 9 90 Te 0.15660382002198 0.66666666666667 0.58879985809371 127.600 > 9 91 Te 0.34339617997802 0.16666666666667 0.41120014190630 127.600 > 10 92 Te 0.34339617997802 0.50000000000000 0.41120014190630 127.600 > 10 93 Te 0.34339617997802 0.83333333333333 0.41120014190630 127.600 > 10 94 Te 0.34339617997802 0.16666666666667 0.91120014190629 127.600 > 10 95 Te 0.34339617997802 0.50000000000000 0.91120014190629 127.600 > 10 96 Te 0.34339617997802 0.83333333333333 0.91120014190629 127.600 > 10 *97 Te 0.03906347824908 0.16666666666667 0.41373204022801 127.600 > 11 98 Te 0.03906347824908 0.50000000000000 0.41373204022801 127.600 > 11 99 Te 0.03906347824908 0.83333333333333 0.41373204022801 127.600 > 11 100 Te 0.03906347824908 0.16666666666667 0.91373204022801 127.600 > 11 101 Te 0.03906347824908 0.50000000000000 0.91373204022801 127.600 > 11 102 Te 0.03906347824908 0.83333333333333 0.91373204022801 127.600 > 11 103 Te 0.46093652175092 0.00000000000000 0.08626795977199 127.600 > 12 104 Te 0.46093652175092 0.33333333333333 0.08626795977199 127.600 > 12 105 Te 0.46093652175092 0.66666666666667 0.08626795977199 127.600 > 12 106 Te 0.46093652175092 0.00000000000000 0.58626795977199 127.600 > 12 107 Te 0.46093652175092 0.33333333333333 0.58626795977199 127.600 > 12 108 Te 0.46093652175092 0.66666666666667 0.58626795977199 127.600 > 12 109 Te 0.65766936095857 0.16666666666667 0.27568324849931 127.600 > 7 110 Te 0.65766936095857 0.50000000000000 0.27568324849931 127.600 > 7 111 Te 0.65766936095857 0.83333333333333 0.27568324849931 127.600 > 7 112 Te 0.65766936095857 0.16666666666667 0.77568324849931 127.600 > 7 113 Te 0.65766936095857 0.50000000000000 0.77568324849931 127.600 > 7 114 Te 0.65766936095857 0.83333333333333 0.77568324849931 127.600 > 7 115 Te 0.84233063904143 0.00000000000000 0.22431675150069 127.600 > 8 116 Te 0.84233063904143 0.33333333333333 0.22431675150069 127.600 > 8 117 Te 0.84233063904143 0.66666666666667 0.22431675150069 127.600 > 8 118 Te 0.84233063904143 0.00000000000000 0.72431675150069 127.600 > 8 119 Te 0.84233063904143 0.33333333333333 0.72431675150069 127.600 > 8 120 Te 0.84233063904143 0.66666666666667 0.72431675150069 127.600 > 8 121 Te 0.65660382002198 0.16666666666667 0.08879985809370 127.600 > 9 122 Te 0.65660382002198 0.50000000000000 0.08879985809370 127.600 > 9 123 Te 0.65660382002198 0.83333333333333 0.08879985809370 127.600 > 9 124 Te 0.65660382002198 0.16666666666667 0.58879985809371 127.600 > 9 125 Te 0.65660382002198 0.50000000000000 0.58879985809371 127.600 > 9 126 Te 0.65660382002198 0.83333333333333 0.58879985809371 127.600 > 9 127 Te 0.84339617997802 0.00000000000000 0.41120014190630 127.600 > 10 128 Te 0.84339617997802 0.33333333333333 0.41120014190630 127.600 > 10 129 Te 0.84339617997802 0.66666666666667 0.41120014190630 127.600 > 10 130 Te 0.84339617997802 0.00000000000000 0.91120014190629 127.600 > 10 131 Te 0.84339617997802 0.33333333333333 0.91120014190629 127.600 > 10 132 Te 0.84339617997802 0.66666666666667 0.91120014190629 127.600 > 10 133 Te 0.53906347824907 0.00000000000000 0.41373204022801 127.600 > 11 134 Te 0.53906347824907 0.33333333333333 0.41373204022801 127.600 > 11 135 Te 0.53906347824907 0.66666666666667 0.41373204022801 127.600 > 11 136 Te 0.53906347824907 0.00000000000000 0.91373204022801 127.600 > 11 137 Te 0.53906347824907 0.33333333333333 0.91373204022801 127.600 > 11 138 Te 0.53906347824907 0.66666666666667 0.91373204022801 127.600 > 11 139 Te 0.96093652175093 0.16666666666667 0.08626795977199 127.600 > 12 140 Te 0.96093652175093 0.50000000000000 0.08626795977199 127.600 > 12 141 Te 0.96093652175093 0.83333333333333 0.08626795977199 127.600 > 12 142 Te 0.96093652175093 0.16666666666667 0.58626795977199 127.600 > 12 143 Te 0.96093652175093 0.50000000000000 0.58626795977199 127.600 > 12 144 Te 0.96093652175093 0.83333333333333 0.58626795977199 127.600 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 11.8128781 0.0000000 0.4513665 0.0000000 12.5531062 0.0000000 0.4513788 0.0000000 11.8617544-------------------------- Born effective charges -------------------------- 1 Ga 0.8543595 0.0000000 0.5643723 0.0000000 2.3738606 0.0000000 0.1886245 0.0000000 2.0736316 2 Ga 0.8543595 0.0000000 0.5643723 0.0000000 2.3738606 0.0000000 0.1886245 0.0000000 2.0736316 3 Ga 1.2868739 0.0000000 0.5554865 0.0000000 2.5409122 0.0000000 0.7879770 0.0000000 1.7090183 4 Ga 1.2868739 0.0000000 0.5554865 0.0000000 2.5409122 0.0000000 0.7879770 0.0000000 1.7090183 5 Ga 1.1676438 0.0000000 0.4821633 0.0000000 2.2718061 0.0000000 0.6019398 0.0000000 1.9016272 6 Ga 1.1676438 0.0000000 0.4821633 0.0000000 2.2718061 0.0000000 0.6019398 0.0000000 1.9016272 7 Te -1.3462310 0.0000000 -0.3742742 0.0000000 -2.3493630 0.0000000 -1.1950598 0.0000000 -2.2543094 8 Te -1.3462310 0.0000000 -0.3742742 0.0000000 -2.3493630 0.0000000 -1.1950598 0.0000000 -2.2543094 9 Te -0.9683034 0.0000000 -0.4102072 0.0000000 -2.3936528 0.0000000 -0.2648644 0.0000000 -1.8295511 10 Te -0.9683034 0.0000000 -0.4102072 0.0000000 -2.3936528 0.0000000 -0.2648644 0.0000000 -1.8295511 11 Te -0.9943429 0.0000000 -0.8175407 0.0000000 -2.4435631 0.0000000 -0.1186171 0.0000000 -1.6004166 12 Te -0.9943429 0.0000000 -0.8175407 0.0000000 -2.4435631 0.0000000 -0.1186171 0.0000000 -1.6004166----------------------------------------------------------------------------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: 432/432Permutation basis: 9972/9972Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2160Number of blocks in projector: 2160Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 576Use submatrix version of eigh solver.(1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 565 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 288Use standard eigh solver.Tree of FC basis block matrices:- (2160, 2131), data: False|-- (288, 288), data: True|-- (288, 288), data: True|-- (336, 330), data: True|-- (336, 330), data: True|-- (336, 330), data: True|-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 400 - Time: 0.825Solver_block: 200 / 400 - Time: 0.795Solver_block: 300 / 400 - Time: 0.798Solver_block: 400 / 400 - Time: 0.804Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.300--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432Permutation basis: 9972/9972Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2160Number of blocks in projector: 2160Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 576Use submatrix version of eigh solver.(1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 565 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 288Use standard eigh solver.Tree of FC basis block matrices:- (2160, 2131), data: False|-- (288, 288), data: True|-- (288, 288), data: True|-- (336, 330), data: True|-- (336, 330), data: True|-- (336, 330), data: True|-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 10:38:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 10:38:59]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 3 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 8.591116705372707 -2.048537854999999 0.000000000000000 b 8.591116705372707 2.048537854999999 0.000000000000000 c -2.589450953922137 0.000000000000000 10.134759730081441Atomic positions (fractional): 1 Ga 0.13711266289731 0.13711266289731 0.91912292449480 69.723 2 Ga 0.86288733710270 0.86288733710269 0.08087707550520 69.723 3 Ga 0.24162603244336 0.24162603244336 0.80105037441207 69.723 4 Ga 0.75837396755664 0.75837396755664 0.19894962558793 69.723 5 Ga 0.56357863810547 0.56357863810546 0.58318114931671 69.723 6 Ga 0.43642136189454 0.43642136189454 0.41681885068329 69.723 7 Te 0.15766936095857 0.15766936095857 0.55136649699862 127.600 8 Te 0.84233063904143 0.84233063904143 0.44863350300138 127.600 9 Te 0.15660382002198 0.15660382002198 0.17759971618741 127.600 10 Te 0.84339617997802 0.84339617997802 0.82240028381259 127.600 11 Te 0.53906347824908 0.53906347824907 0.82746408045602 127.600 12 Te 0.46093652175092 0.46093652175092 0.17253591954399 127.600-------------------------------- supercell ---------------------------------Lattice vectors: a 17.182233410745415 0.000000000000000 0.000000000000000 b 0.000000000000000 12.291227129999996 0.000000000000000 c -5.178901907844274 0.000000000000000 20.269519460162883Atomic positions (fractional): 1 Ga 0.13711266289731 0.00000000000000 0.45956146224740 69.723 > 1 2 Ga 0.13711266289731 0.33333333333333 0.45956146224740 69.723 > 1 3 Ga 0.13711266289731 0.66666666666667 0.45956146224740 69.723 > 1 4 Ga 0.13711266289731 0.00000000000000 0.95956146224740 69.723 > 1 5 Ga 0.13711266289731 0.33333333333333 0.95956146224740 69.723 > 1 6 Ga 0.13711266289731 0.66666666666667 0.95956146224740 69.723 > 1 7 Ga 0.36288733710269 0.16666666666667 0.04043853775260 69.723 > 7 8 Ga 0.36288733710269 0.50000000000000 0.04043853775260 69.723 > 7 9 Ga 0.36288733710269 0.83333333333333 0.04043853775260 69.723 > 7 10 Ga 0.36288733710269 0.16666666666667 0.54043853775260 69.723 > 7 11 Ga 0.36288733710269 0.50000000000000 0.54043853775260 69.723 > 7 12 Ga 0.36288733710269 0.83333333333333 0.54043853775260 69.723 > 7 13 Ga 0.24162603244336 0.00000000000000 0.40052518720604 69.723 > 13 14 Ga 0.24162603244336 0.33333333333333 0.40052518720604 69.723 > 13 15 Ga 0.24162603244336 0.66666666666667 0.40052518720604 69.723 > 13 16 Ga 0.24162603244336 0.00000000000000 0.90052518720604 69.723 > 13 17 Ga 0.24162603244336 0.33333333333333 0.90052518720604 69.723 > 13 18 Ga 0.24162603244336 0.66666666666667 0.90052518720604 69.723 > 13 19 Ga 0.25837396755664 0.16666666666667 0.09947481279397 69.723 > 19 20 Ga 0.25837396755664 0.50000000000000 0.09947481279397 69.723 > 19 21 Ga 0.25837396755664 0.83333333333333 0.09947481279397 69.723 > 19 22 Ga 0.25837396755664 0.16666666666667 0.59947481279396 69.723 > 19 23 Ga 0.25837396755664 0.50000000000000 0.59947481279396 69.723 > 19 24 Ga 0.25837396755664 0.83333333333333 0.59947481279396 69.723 > 19 25 Ga 0.06357863810547 0.16666666666667 0.29159057465835 69.723 > 25 26 Ga 0.06357863810547 0.50000000000000 0.29159057465835 69.723 > 25 27 Ga 0.06357863810547 0.83333333333333 0.29159057465835 69.723 > 25 28 Ga 0.06357863810547 0.16666666666667 0.79159057465835 69.723 > 25 29 Ga 0.06357863810547 0.50000000000000 0.79159057465835 69.723 > 25 30 Ga 0.06357863810547 0.83333333333333 0.79159057465835 69.723 > 25 31 Ga 0.43642136189454 0.00000000000000 0.20840942534165 69.723 > 31 32 Ga 0.43642136189454 0.33333333333333 0.20840942534165 69.723 > 31 33 Ga 0.43642136189454 0.66666666666667 0.20840942534165 69.723 > 31 34 Ga 0.43642136189454 0.00000000000000 0.70840942534165 69.723 > 31 35 Ga 0.43642136189454 0.33333333333333 0.70840942534165 69.723 > 31 36 Ga 0.43642136189454 0.66666666666667 0.70840942534165 69.723 > 31 37 Ga 0.63711266289730 0.16666666666667 0.45956146224740 69.723 > 1 38 Ga 0.63711266289730 0.50000000000000 0.45956146224740 69.723 > 1 39 Ga 0.63711266289730 0.83333333333333 0.45956146224740 69.723 > 1 40 Ga 0.63711266289730 0.16666666666667 0.95956146224740 69.723 > 1 41 Ga 0.63711266289730 0.50000000000000 0.95956146224740 69.723 > 1 42 Ga 0.63711266289730 0.83333333333333 0.95956146224740 69.723 > 1 43 Ga 0.86288733710270 0.00000000000000 0.04043853775260 69.723 > 7 44 Ga 0.86288733710270 0.33333333333333 0.04043853775260 69.723 > 7 45 Ga 0.86288733710270 0.66666666666667 0.04043853775260 69.723 > 7 46 Ga 0.86288733710270 0.00000000000000 0.54043853775260 69.723 > 7 47 Ga 0.86288733710270 0.33333333333333 0.54043853775260 69.723 > 7 48 Ga 0.86288733710270 0.66666666666667 0.54043853775260 69.723 > 7 49 Ga 0.74162603244336 0.16666666666667 0.40052518720604 69.723 > 13 50 Ga 0.74162603244336 0.50000000000000 0.40052518720604 69.723 > 13 51 Ga 0.74162603244336 0.83333333333333 0.40052518720604 69.723 > 13 52 Ga 0.74162603244336 0.16666666666667 0.90052518720604 69.723 > 13 53 Ga 0.74162603244336 0.50000000000000 0.90052518720604 69.723 > 13 54 Ga 0.74162603244336 0.83333333333333 0.90052518720604 69.723 > 13 55 Ga 0.75837396755664 0.00000000000000 0.09947481279397 69.723 > 19 56 Ga 0.75837396755664 0.33333333333333 0.09947481279397 69.723 > 19 57 Ga 0.75837396755664 0.66666666666667 0.09947481279397 69.723 > 19 58 Ga 0.75837396755664 0.00000000000000 0.59947481279396 69.723 > 19 59 Ga 0.75837396755664 0.33333333333333 0.59947481279396 69.723 > 19 60 Ga 0.75837396755664 0.66666666666667 0.59947481279396 69.723 > 19 61 Ga 0.56357863810547 0.00000000000000 0.29159057465835 69.723 > 25 62 Ga 0.56357863810547 0.33333333333333 0.29159057465835 69.723 > 25 63 Ga 0.56357863810547 0.66666666666667 0.29159057465835 69.723 > 25 64 Ga 0.56357863810547 0.00000000000000 0.79159057465835 69.723 > 25 65 Ga 0.56357863810547 0.33333333333333 0.79159057465835 69.723 > 25 66 Ga 0.56357863810547 0.66666666666667 0.79159057465835 69.723 > 25 67 Ga 0.93642136189453 0.16666666666667 0.20840942534165 69.723 > 31 68 Ga 0.93642136189453 0.50000000000000 0.20840942534165 69.723 > 31 69 Ga 0.93642136189453 0.83333333333333 0.20840942534165 69.723 > 31 70 Ga 0.93642136189453 0.16666666666667 0.70840942534165 69.723 > 31 71 Ga 0.93642136189453 0.50000000000000 0.70840942534165 69.723 > 31 72 Ga 0.93642136189453 0.83333333333333 0.70840942534165 69.723 > 31 73 Te 0.15766936095857 0.00000000000000 0.27568324849931 127.600 > 73 74 Te 0.15766936095857 0.33333333333333 0.27568324849931 127.600 > 73 75 Te 0.15766936095857 0.66666666666667 0.27568324849931 127.600 > 73 76 Te 0.15766936095857 0.00000000000000 0.77568324849931 127.600 > 73 77 Te 0.15766936095857 0.33333333333333 0.77568324849931 127.600 > 73 78 Te 0.15766936095857 0.66666666666667 0.77568324849931 127.600 > 73 79 Te 0.34233063904143 0.16666666666667 0.22431675150069 127.600 > 79 80 Te 0.34233063904143 0.50000000000000 0.22431675150069 127.600 > 79 81 Te 0.34233063904143 0.83333333333333 0.22431675150069 127.600 > 79 82 Te 0.34233063904143 0.16666666666667 0.72431675150069 127.600 > 79 83 Te 0.34233063904143 0.50000000000000 0.72431675150069 127.600 > 79 84 Te 0.34233063904143 0.83333333333333 0.72431675150069 127.600 > 79 85 Te 0.15660382002198 0.00000000000000 0.08879985809370 127.600 > 85 86 Te 0.15660382002198 0.33333333333333 0.08879985809370 127.600 > 85 87 Te 0.15660382002198 0.66666666666667 0.08879985809370 127.600 > 85 88 Te 0.15660382002198 0.00000000000000 0.58879985809371 127.600 > 85 89 Te 0.15660382002198 0.33333333333333 0.58879985809371 127.600 > 85 90 Te 0.15660382002198 0.66666666666667 0.58879985809371 127.600 > 85 91 Te 0.34339617997802 0.16666666666667 0.41120014190630 127.600 > 91 92 Te 0.34339617997802 0.50000000000000 0.41120014190630 127.600 > 91 93 Te 0.34339617997802 0.83333333333333 0.41120014190630 127.600 > 91 94 Te 0.34339617997802 0.16666666666667 0.91120014190629 127.600 > 91 95 Te 0.34339617997802 0.50000000000000 0.91120014190629 127.600 > 91 96 Te 0.34339617997802 0.83333333333333 0.91120014190629 127.600 > 91 97 Te 0.03906347824908 0.16666666666667 0.41373204022801 127.600 > 97 98 Te 0.03906347824908 0.50000000000000 0.41373204022801 127.600 > 97 99 Te 0.03906347824908 0.83333333333333 0.41373204022801 127.600 > 97 100 Te 0.03906347824908 0.16666666666667 0.91373204022801 127.600 > 97 101 Te 0.03906347824908 0.50000000000000 0.91373204022801 127.600 > 97 102 Te 0.03906347824908 0.83333333333333 0.91373204022801 127.600 > 97 103 Te 0.46093652175092 0.00000000000000 0.08626795977199 127.600 > 103 104 Te 0.46093652175092 0.33333333333333 0.08626795977199 127.600 > 103 105 Te 0.46093652175092 0.66666666666667 0.08626795977199 127.600 > 103 106 Te 0.46093652175092 0.00000000000000 0.58626795977199 127.600 > 103 107 Te 0.46093652175092 0.33333333333333 0.58626795977199 127.600 > 103 108 Te 0.46093652175092 0.66666666666667 0.58626795977199 127.600 > 103 109 Te 0.65766936095857 0.16666666666667 0.27568324849931 127.600 > 73 110 Te 0.65766936095857 0.50000000000000 0.27568324849931 127.600 > 73 111 Te 0.65766936095857 0.83333333333333 0.27568324849931 127.600 > 73 112 Te 0.65766936095857 0.16666666666667 0.77568324849931 127.600 > 73 113 Te 0.65766936095857 0.50000000000000 0.77568324849931 127.600 > 73 114 Te 0.65766936095857 0.83333333333333 0.77568324849931 127.600 > 73 115 Te 0.84233063904143 0.00000000000000 0.22431675150069 127.600 > 79 116 Te 0.84233063904143 0.33333333333333 0.22431675150069 127.600 > 79 117 Te 0.84233063904143 0.66666666666667 0.22431675150069 127.600 > 79 118 Te 0.84233063904143 0.00000000000000 0.72431675150069 127.600 > 79 119 Te 0.84233063904143 0.33333333333333 0.72431675150069 127.600 > 79 120 Te 0.84233063904143 0.66666666666667 0.72431675150069 127.600 > 79 121 Te 0.65660382002198 0.16666666666667 0.08879985809370 127.600 > 85 122 Te 0.65660382002198 0.50000000000000 0.08879985809370 127.600 > 85 123 Te 0.65660382002198 0.83333333333333 0.08879985809370 127.600 > 85 124 Te 0.65660382002198 0.16666666666667 0.58879985809371 127.600 > 85 125 Te 0.65660382002198 0.50000000000000 0.58879985809371 127.600 > 85 126 Te 0.65660382002198 0.83333333333333 0.58879985809371 127.600 > 85 127 Te 0.84339617997802 0.00000000000000 0.41120014190630 127.600 > 91 128 Te 0.84339617997802 0.33333333333333 0.41120014190630 127.600 > 91 129 Te 0.84339617997802 0.66666666666667 0.41120014190630 127.600 > 91 130 Te 0.84339617997802 0.00000000000000 0.91120014190629 127.600 > 91 131 Te 0.84339617997802 0.33333333333333 0.91120014190629 127.600 > 91 132 Te 0.84339617997802 0.66666666666667 0.91120014190629 127.600 > 91 133 Te 0.53906347824907 0.00000000000000 0.41373204022801 127.600 > 97 134 Te 0.53906347824907 0.33333333333333 0.41373204022801 127.600 > 97 135 Te 0.53906347824907 0.66666666666667 0.41373204022801 127.600 > 97 136 Te 0.53906347824907 0.00000000000000 0.91373204022801 127.600 > 97 137 Te 0.53906347824907 0.33333333333333 0.91373204022801 127.600 > 97 138 Te 0.53906347824907 0.66666666666667 0.91373204022801 127.600 > 97 139 Te 0.96093652175093 0.16666666666667 0.08626795977199 127.600 > 103 140 Te 0.96093652175093 0.50000000000000 0.08626795977199 127.600 > 103 141 Te 0.96093652175093 0.83333333333333 0.08626795977199 127.600 > 103 142 Te 0.96093652175093 0.16666666666667 0.58626795977199 127.600 > 103 143 Te 0.96093652175093 0.50000000000000 0.58626795977199 127.600 > 103 144 Te 0.96093652175093 0.83333333333333 0.58626795977199 127.600 > 103----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 11.8128781 0.0000000 0.4513665 0.0000000 12.5531062 0.0000000 0.4513788 0.0000000 11.8617544-------------------------- Born effective charges -------------------------- 1 Ga 0.8543595 0.0000000 0.5643723 0.0000000 2.3738606 0.0000000 0.1886245 0.0000000 2.0736316 2 Ga 0.8543595 0.0000000 0.5643723 0.0000000 2.3738606 0.0000000 0.1886245 0.0000000 2.0736316 3 Ga 1.2868739 0.0000000 0.5554865 0.0000000 2.5409122 0.0000000 0.7879770 0.0000000 1.7090183 4 Ga 1.2868739 0.0000000 0.5554865 0.0000000 2.5409122 0.0000000 0.7879770 0.0000000 1.7090183 5 Ga 1.1676438 0.0000000 0.4821633 0.0000000 2.2718061 0.0000000 0.6019398 0.0000000 1.9016272 6 Ga 1.1676438 0.0000000 0.4821633 0.0000000 2.2718061 0.0000000 0.6019398 0.0000000 1.9016272 7 Te -1.3462310 0.0000000 -0.3742742 0.0000000 -2.3493630 0.0000000 -1.1950598 0.0000000 -2.2543094 8 Te -1.3462310 0.0000000 -0.3742742 0.0000000 -2.3493630 0.0000000 -1.1950598 0.0000000 -2.2543094 9 Te -0.9683034 0.0000000 -0.4102072 0.0000000 -2.3936528 0.0000000 -0.2648644 0.0000000 -1.8295511 10 Te -0.9683034 0.0000000 -0.4102072 0.0000000 -2.3936528 0.0000000 -0.2648644 0.0000000 -1.8295511 11 Te -0.9943429 0.0000000 -0.8175407 0.0000000 -2.4435631 0.0000000 -0.1186171 0.0000000 -1.6004166 12 Te -0.9943429 0.0000000 -0.8175407 0.0000000 -2.4435631 0.0000000 -0.1186171 0.0000000 -1.6004166----------------------------------------------------------------------------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[ 13, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 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[ 85, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 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: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 10:39:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 10:39:27]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 3 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 8.591116705372707 -2.048537854999999 0.000000000000000 b 8.591116705372707 2.048537854999999 0.000000000000000 c -2.589450953922137 0.000000000000000 10.134759730081441Atomic positions (fractional): 1 Ga 0.13711266289731 0.13711266289731 0.91912292449480 69.723 2 Ga 0.86288733710270 0.86288733710269 0.08087707550520 69.723 3 Ga 0.24162603244336 0.24162603244336 0.80105037441207 69.723 4 Ga 0.75837396755664 0.75837396755664 0.19894962558793 69.723 5 Ga 0.56357863810547 0.56357863810546 0.58318114931671 69.723 6 Ga 0.43642136189454 0.43642136189454 0.41681885068329 69.723 7 Te 0.15766936095857 0.15766936095857 0.55136649699862 127.600 8 Te 0.84233063904143 0.84233063904143 0.44863350300138 127.600 9 Te 0.15660382002198 0.15660382002198 0.17759971618741 127.600 10 Te 0.84339617997802 0.84339617997802 0.82240028381259 127.600 11 Te 0.53906347824908 0.53906347824907 0.82746408045602 127.600 12 Te 0.46093652175092 0.46093652175092 0.17253591954399 127.600-------------------------------- supercell ---------------------------------Lattice vectors: a 17.182233410745415 0.000000000000000 0.000000000000000 b 0.000000000000000 12.291227129999996 0.000000000000000 c -5.178901907844274 0.000000000000000 20.269519460162883Atomic positions (fractional): 1 Ga 0.13711266289731 0.00000000000000 0.45956146224740 69.723 > 1 2 Ga 0.13711266289731 0.33333333333333 0.45956146224740 69.723 > 1 3 Ga 0.13711266289731 0.66666666666667 0.45956146224740 69.723 > 1 4 Ga 0.13711266289731 0.00000000000000 0.95956146224740 69.723 > 1 5 Ga 0.13711266289731 0.33333333333333 0.95956146224740 69.723 > 1 6 Ga 0.13711266289731 0.66666666666667 0.95956146224740 69.723 > 1 7 Ga 0.36288733710269 0.16666666666667 0.04043853775260 69.723 > 7 8 Ga 0.36288733710269 0.50000000000000 0.04043853775260 69.723 > 7 9 Ga 0.36288733710269 0.83333333333333 0.04043853775260 69.723 > 7 10 Ga 0.36288733710269 0.16666666666667 0.54043853775260 69.723 > 7 11 Ga 0.36288733710269 0.50000000000000 0.54043853775260 69.723 > 7 12 Ga 0.36288733710269 0.83333333333333 0.54043853775260 69.723 > 7 13 Ga 0.24162603244336 0.00000000000000 0.40052518720604 69.723 > 13 14 Ga 0.24162603244336 0.33333333333333 0.40052518720604 69.723 > 13 15 Ga 0.24162603244336 0.66666666666667 0.40052518720604 69.723 > 13 16 Ga 0.24162603244336 0.00000000000000 0.90052518720604 69.723 > 13 17 Ga 0.24162603244336 0.33333333333333 0.90052518720604 69.723 > 13 18 Ga 0.24162603244336 0.66666666666667 0.90052518720604 69.723 > 13 19 Ga 0.25837396755664 0.16666666666667 0.09947481279397 69.723 > 19 20 Ga 0.25837396755664 0.50000000000000 0.09947481279397 69.723 > 19 21 Ga 0.25837396755664 0.83333333333333 0.09947481279397 69.723 > 19 22 Ga 0.25837396755664 0.16666666666667 0.59947481279396 69.723 > 19 23 Ga 0.25837396755664 0.50000000000000 0.59947481279396 69.723 > 19 24 Ga 0.25837396755664 0.83333333333333 0.59947481279396 69.723 > 19 25 Ga 0.06357863810547 0.16666666666667 0.29159057465835 69.723 > 25 26 Ga 0.06357863810547 0.50000000000000 0.29159057465835 69.723 > 25 27 Ga 0.06357863810547 0.83333333333333 0.29159057465835 69.723 > 25 28 Ga 0.06357863810547 0.16666666666667 0.79159057465835 69.723 > 25 29 Ga 0.06357863810547 0.50000000000000 0.79159057465835 69.723 > 25 30 Ga 0.06357863810547 0.83333333333333 0.79159057465835 69.723 > 25 31 Ga 0.43642136189454 0.00000000000000 0.20840942534165 69.723 > 31 32 Ga 0.43642136189454 0.33333333333333 0.20840942534165 69.723 > 31 33 Ga 0.43642136189454 0.66666666666667 0.20840942534165 69.723 > 31 34 Ga 0.43642136189454 0.00000000000000 0.70840942534165 69.723 > 31 35 Ga 0.43642136189454 0.33333333333333 0.70840942534165 69.723 > 31 36 Ga 0.43642136189454 0.66666666666667 0.70840942534165 69.723 > 31 37 Ga 0.63711266289730 0.16666666666667 0.45956146224740 69.723 > 1 38 Ga 0.63711266289730 0.50000000000000 0.45956146224740 69.723 > 1 39 Ga 0.63711266289730 0.83333333333333 0.45956146224740 69.723 > 1 40 Ga 0.63711266289730 0.16666666666667 0.95956146224740 69.723 > 1 41 Ga 0.63711266289730 0.50000000000000 0.95956146224740 69.723 > 1 42 Ga 0.63711266289730 0.83333333333333 0.95956146224740 69.723 > 1 43 Ga 0.86288733710270 0.00000000000000 0.04043853775260 69.723 > 7 44 Ga 0.86288733710270 0.33333333333333 0.04043853775260 69.723 > 7 45 Ga 0.86288733710270 0.66666666666667 0.04043853775260 69.723 > 7 46 Ga 0.86288733710270 0.00000000000000 0.54043853775260 69.723 > 7 47 Ga 0.86288733710270 0.33333333333333 0.54043853775260 69.723 > 7 48 Ga 0.86288733710270 0.66666666666667 0.54043853775260 69.723 > 7 49 Ga 0.74162603244336 0.16666666666667 0.40052518720604 69.723 > 13 50 Ga 0.74162603244336 0.50000000000000 0.40052518720604 69.723 > 13 51 Ga 0.74162603244336 0.83333333333333 0.40052518720604 69.723 > 13 52 Ga 0.74162603244336 0.16666666666667 0.90052518720604 69.723 > 13 53 Ga 0.74162603244336 0.50000000000000 0.90052518720604 69.723 > 13 54 Ga 0.74162603244336 0.83333333333333 0.90052518720604 69.723 > 13 55 Ga 0.75837396755664 0.00000000000000 0.09947481279397 69.723 > 19 56 Ga 0.75837396755664 0.33333333333333 0.09947481279397 69.723 > 19 57 Ga 0.75837396755664 0.66666666666667 0.09947481279397 69.723 > 19 58 Ga 0.75837396755664 0.00000000000000 0.59947481279396 69.723 > 19 59 Ga 0.75837396755664 0.33333333333333 0.59947481279396 69.723 > 19 60 Ga 0.75837396755664 0.66666666666667 0.59947481279396 69.723 > 19 61 Ga 0.56357863810547 0.00000000000000 0.29159057465835 69.723 > 25 62 Ga 0.56357863810547 0.33333333333333 0.29159057465835 69.723 > 25 63 Ga 0.56357863810547 0.66666666666667 0.29159057465835 69.723 > 25 64 Ga 0.56357863810547 0.00000000000000 0.79159057465835 69.723 > 25 65 Ga 0.56357863810547 0.33333333333333 0.79159057465835 69.723 > 25 66 Ga 0.56357863810547 0.66666666666667 0.79159057465835 69.723 > 25 67 Ga 0.93642136189453 0.16666666666667 0.20840942534165 69.723 > 31 68 Ga 0.93642136189453 0.50000000000000 0.20840942534165 69.723 > 31 69 Ga 0.93642136189453 0.83333333333333 0.20840942534165 69.723 > 31 70 Ga 0.93642136189453 0.16666666666667 0.70840942534165 69.723 > 31 71 Ga 0.93642136189453 0.50000000000000 0.70840942534165 69.723 > 31 72 Ga 0.93642136189453 0.83333333333333 0.70840942534165 69.723 > 31 73 Te 0.15766936095857 0.00000000000000 0.27568324849931 127.600 > 73 74 Te 0.15766936095857 0.33333333333333 0.27568324849931 127.600 > 73 75 Te 0.15766936095857 0.66666666666667 0.27568324849931 127.600 > 73 76 Te 0.15766936095857 0.00000000000000 0.77568324849931 127.600 > 73 77 Te 0.15766936095857 0.33333333333333 0.77568324849931 127.600 > 73 78 Te 0.15766936095857 0.66666666666667 0.77568324849931 127.600 > 73 79 Te 0.34233063904143 0.16666666666667 0.22431675150069 127.600 > 79 80 Te 0.34233063904143 0.50000000000000 0.22431675150069 127.600 > 79 81 Te 0.34233063904143 0.83333333333333 0.22431675150069 127.600 > 79 82 Te 0.34233063904143 0.16666666666667 0.72431675150069 127.600 > 79 83 Te 0.34233063904143 0.50000000000000 0.72431675150069 127.600 > 79 84 Te 0.34233063904143 0.83333333333333 0.72431675150069 127.600 > 79 85 Te 0.15660382002198 0.00000000000000 0.08879985809370 127.600 > 85 86 Te 0.15660382002198 0.33333333333333 0.08879985809370 127.600 > 85 87 Te 0.15660382002198 0.66666666666667 0.08879985809370 127.600 > 85 88 Te 0.15660382002198 0.00000000000000 0.58879985809371 127.600 > 85 89 Te 0.15660382002198 0.33333333333333 0.58879985809371 127.600 > 85 90 Te 0.15660382002198 0.66666666666667 0.58879985809371 127.600 > 85 91 Te 0.34339617997802 0.16666666666667 0.41120014190630 127.600 > 91 92 Te 0.34339617997802 0.50000000000000 0.41120014190630 127.600 > 91 93 Te 0.34339617997802 0.83333333333333 0.41120014190630 127.600 > 91 94 Te 0.34339617997802 0.16666666666667 0.91120014190629 127.600 > 91 95 Te 0.34339617997802 0.50000000000000 0.91120014190629 127.600 > 91 96 Te 0.34339617997802 0.83333333333333 0.91120014190629 127.600 > 91 97 Te 0.03906347824908 0.16666666666667 0.41373204022801 127.600 > 97 98 Te 0.03906347824908 0.50000000000000 0.41373204022801 127.600 > 97 99 Te 0.03906347824908 0.83333333333333 0.41373204022801 127.600 > 97 100 Te 0.03906347824908 0.16666666666667 0.91373204022801 127.600 > 97 101 Te 0.03906347824908 0.50000000000000 0.91373204022801 127.600 > 97 102 Te 0.03906347824908 0.83333333333333 0.91373204022801 127.600 > 97 103 Te 0.46093652175092 0.00000000000000 0.08626795977199 127.600 > 103 104 Te 0.46093652175092 0.33333333333333 0.08626795977199 127.600 > 103 105 Te 0.46093652175092 0.66666666666667 0.08626795977199 127.600 > 103 106 Te 0.46093652175092 0.00000000000000 0.58626795977199 127.600 > 103 107 Te 0.46093652175092 0.33333333333333 0.58626795977199 127.600 > 103 108 Te 0.46093652175092 0.66666666666667 0.58626795977199 127.600 > 103 109 Te 0.65766936095857 0.16666666666667 0.27568324849931 127.600 > 73 110 Te 0.65766936095857 0.50000000000000 0.27568324849931 127.600 > 73 111 Te 0.65766936095857 0.83333333333333 0.27568324849931 127.600 > 73 112 Te 0.65766936095857 0.16666666666667 0.77568324849931 127.600 > 73 113 Te 0.65766936095857 0.50000000000000 0.77568324849931 127.600 > 73 114 Te 0.65766936095857 0.83333333333333 0.77568324849931 127.600 > 73 115 Te 0.84233063904143 0.00000000000000 0.22431675150069 127.600 > 79 116 Te 0.84233063904143 0.33333333333333 0.22431675150069 127.600 > 79 117 Te 0.84233063904143 0.66666666666667 0.22431675150069 127.600 > 79 118 Te 0.84233063904143 0.00000000000000 0.72431675150069 127.600 > 79 119 Te 0.84233063904143 0.33333333333333 0.72431675150069 127.600 > 79 120 Te 0.84233063904143 0.66666666666667 0.72431675150069 127.600 > 79 121 Te 0.65660382002198 0.16666666666667 0.08879985809370 127.600 > 85 122 Te 0.65660382002198 0.50000000000000 0.08879985809370 127.600 > 85 123 Te 0.65660382002198 0.83333333333333 0.08879985809370 127.600 > 85 124 Te 0.65660382002198 0.16666666666667 0.58879985809371 127.600 > 85 125 Te 0.65660382002198 0.50000000000000 0.58879985809371 127.600 > 85 126 Te 0.65660382002198 0.83333333333333 0.58879985809371 127.600 > 85 127 Te 0.84339617997802 0.00000000000000 0.41120014190630 127.600 > 91 128 Te 0.84339617997802 0.33333333333333 0.41120014190630 127.600 > 91 129 Te 0.84339617997802 0.66666666666667 0.41120014190630 127.600 > 91 130 Te 0.84339617997802 0.00000000000000 0.91120014190629 127.600 > 91 131 Te 0.84339617997802 0.33333333333333 0.91120014190629 127.600 > 91 132 Te 0.84339617997802 0.66666666666667 0.91120014190629 127.600 > 91 133 Te 0.53906347824907 0.00000000000000 0.41373204022801 127.600 > 97 134 Te 0.53906347824907 0.33333333333333 0.41373204022801 127.600 > 97 135 Te 0.53906347824907 0.66666666666667 0.41373204022801 127.600 > 97 136 Te 0.53906347824907 0.00000000000000 0.91373204022801 127.600 > 97 137 Te 0.53906347824907 0.33333333333333 0.91373204022801 127.600 > 97 138 Te 0.53906347824907 0.66666666666667 0.91373204022801 127.600 > 97 139 Te 0.96093652175093 0.16666666666667 0.08626795977199 127.600 > 103 140 Te 0.96093652175093 0.50000000000000 0.08626795977199 127.600 > 103 141 Te 0.96093652175093 0.83333333333333 0.08626795977199 127.600 > 103 142 Te 0.96093652175093 0.16666666666667 0.58626795977199 127.600 > 103 143 Te 0.96093652175093 0.50000000000000 0.58626795977199 127.600 > 103 144 Te 0.96093652175093 0.83333333333333 0.58626795977199 127.600 > 103----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 11.8128781 0.0000000 0.4513665 0.0000000 12.5531062 0.0000000 0.4513788 0.0000000 11.8617544-------------------------- Born effective charges -------------------------- 1 Ga 0.8543595 0.0000000 0.5643723 0.0000000 2.3738606 0.0000000 0.1886245 0.0000000 2.0736316 2 Ga 0.8543595 0.0000000 0.5643723 0.0000000 2.3738606 0.0000000 0.1886245 0.0000000 2.0736316 3 Ga 1.2868739 0.0000000 0.5554865 0.0000000 2.5409122 0.0000000 0.7879770 0.0000000 1.7090183 4 Ga 1.2868739 0.0000000 0.5554865 0.0000000 2.5409122 0.0000000 0.7879770 0.0000000 1.7090183 5 Ga 1.1676438 0.0000000 0.4821633 0.0000000 2.2718061 0.0000000 0.6019398 0.0000000 1.9016272 6 Ga 1.1676438 0.0000000 0.4821633 0.0000000 2.2718061 0.0000000 0.6019398 0.0000000 1.9016272 7 Te -1.3462310 0.0000000 -0.3742742 0.0000000 -2.3493630 0.0000000 -1.1950598 0.0000000 -2.2543094 8 Te -1.3462310 0.0000000 -0.3742742 0.0000000 -2.3493630 0.0000000 -1.1950598 0.0000000 -2.2543094 9 Te -0.9683034 0.0000000 -0.4102072 0.0000000 -2.3936528 0.0000000 -0.2648644 0.0000000 -1.8295511 10 Te -0.9683034 0.0000000 -0.4102072 0.0000000 -2.3936528 0.0000000 -0.2648644 0.0000000 -1.8295511 11 Te -0.9943429 0.0000000 -0.8175407 0.0000000 -2.4435631 0.0000000 -0.1186171 0.0000000 -1.6004166 12 Te -0.9943429 0.0000000 -0.8175407 0.0000000 -2.4435631 0.0000000 -0.1186171 0.0000000 -1.6004166----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 13 13 5 ]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: 0.59, Number of G-points: 303, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/231) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.134 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.200 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.819 ( 0.000 0.000 0.000) 0.000 1.876 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 8.108 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/231) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.174 ( 1.243 -11.265 1.883) 11.489 0.380 ( -3.330 -21.451 -2.769) 21.884 0.650 ( 8.437 -31.057 5.302) 32.616 1.138 ( -3.962 -2.549 -11.731) 12.642 1.190 ( 2.552 -2.548 8.745) 9.459 1.383 ( -0.577 -13.238 -3.568) 13.723 1.455 ( 1.604 -1.521 2.626) 3.433 1.566 ( 1.034 -7.372 1.181) 7.537 1.725 ( 0.368 -12.992 0.062) 12.998 1.866 ( -0.723 -1.014 -0.306) 1.282 1.930 ( 0.230 -10.701 -0.200) 10.706 2.062 ( -0.026 -11.794 0.057) 11.794 2.099 ( -0.444 -0.079 0.278) 0.530 2.535 ( -0.439 2.573 0.149) 2.615 2.587 ( -0.090 1.539 -0.827) 1.750 3.152 ( -0.047 1.415 0.261) 1.440 3.267 ( -2.260 1.740 -3.193) 4.282 3.314 ( 2.104 1.988 3.219) 4.329 4.108 ( 1.373 2.903 2.111) 3.843 4.492 ( -0.182 2.140 -0.113) 2.150 4.675 ( -0.118 4.143 -0.058) 4.145 4.910 ( -0.518 -4.333 -0.566) 4.401 4.942 ( 0.082 -2.440 0.119) 2.444 5.037 ( -0.663 -2.583 -0.192) 2.674 5.106 ( 0.671 -2.308 0.407) 2.438 5.225 ( 0.395 -2.903 -0.139) 2.933 5.311 ( 0.212 1.058 1.438) 1.798 5.724 ( -11.945 -2.690 -12.844) 17.745 5.871 ( 1.473 1.999 15.154) 15.356 6.000 ( 0.983 4.369 -1.654) 4.774 6.131 ( -0.412 3.769 -0.286) 3.802 6.200 ( -0.400 3.002 -0.149) 3.033 6.298 ( -0.335 3.932 0.048) 3.946 7.789 ( -0.076 0.556 -0.131) 0.577 8.100 ( 0.088 0.866 0.488) 0.998 8.343 ( -0.229 1.677 -0.335) 1.726======================= Grid point 2 (3/231) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.429 ( 0.508 -14.642 2.277) 14.826 0.761 ( -5.140 -21.039 -3.253) 21.901 1.187 ( -4.449 -5.760 -9.267) 11.783 1.218 ( 5.196 -22.656 6.213) 24.060 1.304 ( 2.240 -8.603 6.506) 11.016 1.490 ( -1.010 -4.113 -3.146) 5.276 1.658 ( -1.742 -10.614 -2.204) 10.979 1.719 ( 2.557 -8.608 3.671) 9.701 1.906 ( -1.077 -3.474 -1.337) 3.875 2.018 ( 0.974 -15.274 0.469) 15.312 2.100 ( -0.910 -3.864 -0.788) 4.047 2.179 ( 1.147 -12.692 0.717) 12.764 2.325 ( 0.388 -13.912 0.337) 13.921 2.484 ( 0.943 1.502 0.486) 1.839 2.552 ( -0.226 1.900 -1.551) 2.463 3.130 ( 0.162 0.505 0.325) 0.622 3.219 ( -1.739 1.545 -2.570) 3.466 3.279 ( 1.885 2.704 2.672) 4.244 4.049 ( 0.391 3.723 0.701) 3.808 4.437 ( -0.417 3.259 -0.227) 3.294 4.588 ( 0.014 4.954 0.191) 4.958 4.985 ( -1.027 -3.827 -1.441) 4.216 5.006 ( 0.601 -3.810 0.248) 3.865 5.094 ( -0.649 -3.608 -0.856) 3.764 5.162 ( 1.189 -2.490 1.609) 3.194 5.276 ( -0.562 -1.236 -0.461) 1.434 5.299 ( 0.998 -0.309 2.158) 2.397 5.697 ( -2.549 1.075 -3.079) 4.139 5.851 ( -0.808 1.693 3.617) 4.074 5.900 ( 0.297 5.787 0.023) 5.794 6.030 ( -0.482 6.499 -0.511) 6.537 6.131 ( -0.919 3.413 -0.304) 3.548 6.198 ( -0.361 6.091 0.093) 6.102 7.775 ( -0.126 0.832 -0.211) 0.868 8.082 ( 0.242 1.077 0.624) 1.268 8.299 ( -0.206 2.703 -0.492) 2.756======================= Grid point 3 (4/231) =======================q-point: ( 0.23 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( 0.525 -14.893 2.954) 15.193 1.100 ( -7.176 -18.109 -4.032) 19.892 1.280 ( -4.777 -6.884 -5.908) 10.253 1.413 ( 0.353 -5.940 5.312) 7.977 1.554 ( -3.312 -4.288 -4.755) 7.209 1.600 ( 2.142 -7.591 6.591) 10.279 1.788 ( -2.878 -7.956 -2.406) 8.796 1.869 ( -3.220 -3.884 0.723) 5.097 1.942 ( 0.436 -2.205 -0.725) 2.362 2.184 ( -0.135 -5.508 1.424) 5.691 2.271 ( 2.537 -7.263 -0.158) 7.695 2.388 ( 1.400 -8.494 2.238) 8.894 2.517 ( 0.051 0.582 -1.560) 1.666 2.530 ( 1.863 -8.687 -0.040) 8.884 2.588 ( 4.045 -8.720 -0.044) 9.612 3.141 ( 0.669 -1.162 0.128) 1.347 3.220 ( -0.399 -3.221 -1.248) 3.477 3.255 ( 1.435 -0.057 1.358) 1.977 3.986 ( -0.297 2.657 0.008) 2.673 4.378 ( -0.649 2.371 -0.135) 2.462 4.497 ( -0.107 4.364 0.415) 4.385 5.041 ( -0.179 -2.534 -1.352) 2.878 5.071 ( 0.076 -2.645 -0.847) 2.779 5.149 ( -0.061 -2.068 -0.934) 2.270 5.188 ( 1.573 0.835 2.965) 3.459 5.288 ( -0.319 -1.431 0.184) 1.478 5.318 ( 0.062 -0.192 0.839) 0.863 5.655 ( 0.249 2.603 -0.148) 2.619 5.806 ( -0.482 2.697 0.409) 2.770 5.813 ( 0.181 3.211 0.192) 3.222 5.897 ( -0.173 6.908 -0.663) 6.942 6.078 ( -1.131 2.077 -0.370) 2.394 6.086 ( -0.244 4.745 0.125) 4.753 7.758 ( -0.135 0.786 -0.214) 0.826 8.068 ( 0.647 0.589 0.711) 1.127 8.245 ( 0.122 2.829 -0.402) 2.860======================= Grid point 4 (5/231) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.990 ( 0.783 -13.502 3.258) 13.911 1.337 ( -5.316 -8.547 -3.305) 10.594 1.396 ( -7.989 -10.512 -4.725) 14.023 1.515 ( -1.870 -4.492 2.578) 5.506 1.557 ( -5.726 0.488 -6.443) 8.634 1.686 ( 1.481 -2.601 6.046) 6.746 1.836 ( -3.803 -0.678 -1.520) 4.151 1.845 ( -4.082 3.111 1.298) 5.294 2.032 ( -0.579 -3.970 0.035) 4.012 2.256 ( 0.319 -1.768 1.562) 2.381 2.343 ( 2.367 0.324 0.715) 2.494 2.460 ( 1.753 0.682 2.652) 3.252 2.566 ( 2.096 -3.019 -0.467) 3.705 2.670 ( 2.097 -3.662 -1.064) 4.352 2.718 ( 4.279 -2.550 -0.498) 5.006 3.188 ( 1.708 -3.788 1.115) 4.302 3.297 ( 1.659 -5.221 0.048) 5.479 3.355 ( 0.045 -8.671 -0.842) 8.711 3.961 ( -0.825 -0.539 -0.361) 1.050 4.355 ( -0.805 -0.469 0.213) 0.956 4.438 ( -0.665 1.581 0.185) 1.725 5.072 ( 0.435 -0.704 -1.186) 1.446 5.093 ( -0.363 0.009 -2.143) 2.174 5.159 ( 1.421 1.051 2.876) 3.375 5.181 ( 0.811 0.153 0.047) 0.826 5.300 ( -0.525 1.316 -0.387) 1.469 5.316 ( -0.393 -0.564 0.804) 1.058 5.621 ( 1.296 1.096 0.548) 1.784 5.744 ( -0.253 3.024 1.102) 3.229 5.776 ( -0.155 3.574 -0.633) 3.633 5.799 ( 1.631 1.350 -0.762) 2.250 6.007 ( 0.108 2.683 -0.072) 2.686 6.057 ( -1.215 0.672 -0.523) 1.484 7.744 ( -0.115 0.580 -0.164) 0.614 8.069 ( 1.011 -0.216 0.640) 1.217 8.197 ( 0.506 2.325 -0.162) 2.384======================= Grid point 5 (6/231) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( 0.992 -11.054 2.792) 11.444 1.396 ( -4.395 -1.389 -1.023) 4.721 1.457 ( -7.000 1.922 -5.678) 9.216 1.564 ( -5.920 -5.171 -2.257) 8.178 1.585 ( -2.294 -5.354 -2.077) 6.184 1.750 ( -3.032 1.331 1.502) 3.636 1.772 ( 0.385 -1.739 4.450) 4.793 1.841 ( -1.219 -1.491 0.671) 2.040 2.053 ( -0.588 0.937 0.543) 1.232 2.247 ( -0.936 2.197 0.795) 2.517 2.316 ( 1.956 2.646 -0.065) 3.291 2.441 ( 2.010 2.479 2.802) 4.247 2.560 ( 0.361 3.779 -1.077) 3.946 2.682 ( 2.397 2.452 -0.495) 3.465 2.728 ( 2.902 2.134 -1.115) 3.771 3.297 ( 2.023 -5.867 1.620) 6.414 3.427 ( 1.861 -6.665 0.319) 6.927 3.516 ( -0.179 -7.754 -1.165) 7.843 3.993 ( -0.802 -2.806 -0.296) 2.933 4.383 ( -0.681 -2.338 0.600) 2.508 4.430 ( -1.115 -0.800 -0.382) 1.425 5.057 ( 0.059 1.753 -1.130) 2.086 5.093 ( 0.201 -0.532 -1.792) 1.880 5.145 ( 1.271 1.143 1.512) 2.282 5.188 ( 0.827 -0.267 1.285) 1.551 5.261 ( -0.670 2.130 -0.201) 2.242 5.314 ( -0.592 0.691 -0.271) 0.950 5.616 ( 0.954 0.370 0.350) 1.081 5.702 ( -0.008 1.418 0.417) 1.478 5.726 ( 1.082 1.297 0.098) 1.692 5.809 ( 1.683 -0.762 0.115) 1.852 5.979 ( 0.117 0.572 -0.446) 0.735 6.034 ( -1.005 1.276 -0.560) 1.718 7.735 ( -0.081 0.352 -0.097) 0.374 8.085 ( 1.006 -0.858 0.427) 1.389 8.162 ( 0.563 1.716 0.028) 1.806======================= Grid point 6 (7/231) =======================q-point: ( 0.46 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( -3.380 1.674 -1.437) 4.036 1.396 ( 0.271 -3.932 0.858) 4.033 1.453 ( -0.860 -4.074 -1.017) 4.286 1.549 ( -0.288 3.046 1.342) 3.341 1.663 ( -2.634 0.022 -2.646) 3.734 1.730 ( -3.900 -5.485 -3.437) 7.557 1.799 ( 1.799 2.317 5.550) 6.278 1.909 ( -0.022 -4.980 0.556) 5.011 2.002 ( -0.171 4.021 0.630) 4.074 2.216 ( -0.851 -0.140 0.082) 0.867 2.272 ( 1.411 2.535 -0.873) 3.030 2.413 ( 1.124 0.851 2.343) 2.734 2.471 ( -0.808 3.889 -1.471) 4.235 2.639 ( 1.191 2.002 -0.181) 2.337 2.697 ( 0.993 1.324 -0.485) 1.724 3.392 ( 0.882 -2.611 0.765) 2.860 3.528 ( 0.775 -2.789 0.174) 2.900 3.619 ( -0.113 -2.998 -0.545) 3.049 4.036 ( -0.306 -1.497 -0.076) 1.530 4.422 ( -0.032 -1.601 0.865) 1.820 4.438 ( -0.828 -0.252 -0.821) 1.193 5.029 ( -0.017 0.829 -0.557) 0.999 5.105 ( 0.042 -0.688 -1.079) 1.280 5.136 ( 0.891 0.464 1.019) 1.431 5.190 ( -0.193 0.546 0.568) 0.811 5.232 ( 0.127 0.325 0.088) 0.360 5.291 ( -0.438 0.948 -0.394) 1.117 5.612 ( 0.211 0.251 -0.009) 0.328 5.689 ( 0.008 0.190 0.058) 0.199 5.725 ( 0.851 -0.095 0.365) 0.930 5.830 ( 0.770 -0.588 0.207) 0.991 5.979 ( 0.251 -0.458 -0.282) 0.594 6.003 ( -0.671 1.351 -0.300) 1.537 7.730 ( -0.030 0.120 -0.032) 0.128 8.108 ( 0.524 -1.091 0.161) 1.221 8.135 ( 0.146 1.273 0.027) 1.282======================= Grid point 14 (8/231) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.119 ( 11.623 0.000 5.244) 12.751 0.194 ( 19.125 0.000 8.932) 21.108 0.239 ( 23.111 0.000 12.866) 26.451 1.085 ( -4.944 -0.000 -13.406) 14.288 1.198 ( 0.310 0.000 -3.314) 3.329 1.234 ( 3.947 0.000 7.155) 8.171 1.473 ( 1.978 0.000 1.798) 2.673 1.476 ( 1.193 0.000 1.339) 1.793 1.589 ( -0.040 -0.000 0.024) 0.047 1.819 ( -0.028 -0.000 -0.171) 0.173 1.869 ( -1.481 -0.000 -0.002) 1.481 1.918 ( -0.282 -0.000 0.182) 0.336 2.100 ( -1.248 -0.000 0.280) 1.279 2.558 ( -1.484 -0.000 0.793) 1.683 2.608 ( -0.614 -0.000 -0.973) 1.150 3.167 ( -0.207 -0.000 0.474) 0.518 3.268 ( -3.234 -0.000 -3.924) 5.085 3.353 ( 2.395 0.000 4.238) 4.868 4.263 ( -5.532 -0.000 21.322) 22.028 4.512 ( -0.300 -0.000 0.042) 0.303 4.723 ( -1.432 -0.000 2.107) 2.548 4.855 ( -0.831 -0.000 0.093) 0.836 4.915 ( -0.545 -0.000 -0.043) 0.547 5.006 ( -1.301 -0.000 -0.016) 1.301 5.081 ( 0.683 0.000 0.325) 0.756 5.174 ( 1.179 0.000 -0.170) 1.191 5.200 ( 1.454 0.000 -0.003) 1.454 5.329 ( 1.090 0.000 2.551) 2.774 5.943 ( -7.374 -0.000 30.875) 31.744 6.062 ( 1.590 0.000 -5.389) 5.619 6.165 ( -0.760 -0.000 -0.097) 0.766 6.228 ( -0.545 -0.000 -0.332) 0.639 6.334 ( -0.829 -0.000 0.211) 0.856 7.794 ( -0.117 -0.000 -0.124) 0.171 8.114 ( -0.483 -0.000 1.891) 1.951 8.357 ( -0.539 -0.000 -0.692) 0.877======================= Grid point 15 (9/231) =======================q-point: ( 0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.197 ( 2.790 -9.368 2.766) 10.159 0.367 ( 3.152 -16.339 0.554) 16.649 0.776 ( 13.810 -26.680 9.302) 31.450 1.067 ( -5.251 -2.893 -13.546) 14.813 1.226 ( 2.001 -2.719 5.376) 6.348 1.364 ( -0.760 -9.473 -6.548) 11.541 1.486 ( 3.112 -3.136 3.992) 5.954 1.588 ( 2.684 -8.013 2.844) 8.916 1.729 ( 0.492 -12.963 0.017) 12.973 1.853 ( -1.891 -1.303 -0.724) 2.408 1.931 ( 0.038 -10.383 -0.793) 10.414 2.062 ( -0.098 -11.198 0.080) 11.199 2.093 ( -1.010 -1.456 0.807) 1.947 2.528 ( -1.274 2.179 0.326) 2.545 2.582 ( -0.429 1.658 -2.327) 2.890 3.152 ( -0.174 1.315 0.666) 1.484 3.234 ( -2.972 1.312 -3.795) 4.996 3.344 ( 2.469 2.296 3.729) 5.027 4.135 ( 2.248 5.164 4.390) 7.141 4.488 ( -0.492 2.188 -0.267) 2.259 4.672 ( -0.355 3.911 -0.262) 3.936 4.900 ( -1.154 -4.006 -1.125) 4.318 4.943 ( -0.129 -2.891 0.018) 2.894 5.026 ( -1.325 -2.691 -0.261) 3.011 5.118 ( 1.287 -2.459 0.835) 2.898 5.231 ( 1.111 -2.454 -0.180) 2.700 5.320 ( 0.144 0.787 3.557) 3.645 5.570 ( -13.534 -13.371 -9.015) 21.053 5.905 ( -1.225 3.298 14.302) 14.729 6.007 ( 1.416 4.879 -2.428) 5.631 6.124 ( -1.033 3.732 -0.592) 3.918 6.193 ( -0.816 3.109 -0.434) 3.243 6.292 ( -0.951 3.823 0.033) 3.940 7.787 ( -0.172 0.566 -0.295) 0.661 8.103 ( 0.067 0.896 1.152) 1.462 8.337 ( -0.640 1.581 -0.940) 1.947======================= Grid point 16 (10/231) =======================q-point: ( 0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.442 ( 0.636 -14.477 4.353) 15.130 0.707 ( -4.166 -19.173 -2.904) 19.834 1.118 ( -5.803 -6.431 -10.433) 13.560 1.285 ( 4.844 -14.870 8.239) 17.677 1.337 ( 2.381 -12.883 5.309) 14.137 1.464 ( -2.461 -4.045 -6.015) 7.655 1.647 ( -0.037 -8.722 0.244) 8.726 1.744 ( 1.099 -6.264 2.802) 6.949 1.892 ( -1.105 -4.526 -1.890) 5.027 2.026 ( 0.511 -13.075 0.231) 13.087 2.092 ( -0.103 -7.788 -0.536) 7.807 2.192 ( 1.222 -11.952 0.814) 12.042 2.334 ( 1.574 -13.823 0.551) 13.923 2.495 ( 1.108 -0.474 0.756) 1.423 2.544 ( -0.358 1.652 -2.718) 3.201 3.133 ( 0.206 0.374 0.509) 0.665 3.197 ( -1.801 0.668 -2.620) 3.248 3.304 ( 2.086 3.125 2.773) 4.670 4.056 ( 0.582 4.430 1.148) 4.613 4.431 ( -0.739 3.288 -0.370) 3.391 4.588 ( 0.002 4.847 0.279) 4.855 4.972 ( -1.022 -4.150 -1.739) 4.615 5.010 ( 0.299 -3.753 -0.161) 3.768 5.086 ( -0.647 -3.863 -0.879) 4.014 5.179 ( 1.529 -2.755 2.026) 3.746 5.273 ( -0.045 -0.920 0.561) 1.078 5.312 ( 0.740 0.015 2.391) 2.502 5.659 ( -3.783 -2.813 -3.711) 6.000 5.852 ( -0.936 2.980 4.885) 5.798 5.904 ( 0.581 5.780 0.003) 5.809 6.022 ( -0.857 6.274 -0.845) 6.389 6.120 ( -1.252 3.564 -0.513) 3.812 6.194 ( -0.687 5.854 0.107) 5.896 7.772 ( -0.194 0.813 -0.336) 0.901 8.087 ( 0.402 0.950 1.091) 1.502 8.294 ( -0.370 2.474 -0.896) 2.657======================= Grid point 17 (11/231) =======================q-point: ( 0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.731 ( 0.879 -14.870 5.009) 15.716 1.021 ( -7.832 -17.167 -4.029) 19.295 1.217 ( -5.943 -7.552 -6.787) 11.765 1.418 ( -2.446 -5.314 3.244) 6.689 1.503 ( -3.980 -2.505 -5.626) 7.332 1.635 ( 1.384 -7.288 8.233) 11.082 1.754 ( -3.115 -5.307 -2.185) 6.530 1.836 ( -4.275 -2.666 0.070) 5.039 1.948 ( 1.023 -3.415 -0.477) 3.596 2.183 ( -0.881 -6.354 1.363) 6.558 2.297 ( 3.375 -7.153 0.130) 7.910 2.412 ( 2.409 -9.547 3.235) 10.365 2.514 ( 0.136 0.013 -2.207) 2.212 2.552 ( 2.948 -8.891 -0.400) 9.376 2.626 ( 4.443 -8.909 -0.127) 9.956 3.149 ( 0.931 -1.663 0.201) 1.916 3.214 ( -0.169 -3.968 -1.188) 4.145 3.272 ( 1.607 0.510 1.312) 2.136 3.983 ( -0.428 3.080 -0.005) 3.110 4.370 ( -0.931 2.351 -0.169) 2.534 4.497 ( -0.155 4.567 0.547) 4.603 5.036 ( -0.229 -2.950 -1.866) 3.498 5.071 ( 0.267 -2.318 -0.766) 2.456 5.149 ( 0.323 -2.607 -0.621) 2.700 5.210 ( 1.752 1.028 3.138) 3.738 5.285 ( -0.437 -1.344 0.302) 1.445 5.321 ( -0.029 0.164 1.061) 1.074 5.657 ( 0.442 1.491 -0.190) 1.567 5.802 ( -0.797 2.189 0.983) 2.529 5.816 ( 0.364 3.527 -0.171) 3.550 5.894 ( -0.167 6.509 -0.913) 6.575 6.065 ( -1.565 1.467 -0.470) 2.195 6.084 ( -0.222 5.138 0.135) 5.145 7.756 ( -0.162 0.755 -0.274) 0.819 8.077 ( 0.893 0.453 1.002) 1.417 8.245 ( 0.168 2.555 -0.589) 2.627======================= Grid point 18 (12/231) =======================q-point: ( 0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( 1.238 -13.380 4.688) 14.231 1.262 ( -8.714 -12.501 -4.544) 15.902 1.321 ( -6.729 -7.171 -3.640) 10.486 1.448 ( -9.519 -0.550 -6.476) 11.526 1.538 ( 0.254 -2.961 2.264) 3.736 1.714 ( 1.209 -2.283 6.207) 6.723 1.789 ( -5.040 -0.082 -3.064) 5.899 1.813 ( -3.721 0.691 1.463) 4.057 2.029 ( 0.025 -3.226 0.118) 3.228 2.260 ( -0.268 -1.585 1.539) 2.225 2.368 ( 2.817 0.892 1.063) 3.140 2.480 ( 1.163 0.398 2.781) 3.040 2.582 ( 1.556 -2.697 -0.909) 3.243 2.692 ( 3.276 -3.520 -1.217) 4.961 2.757 ( 4.507 -2.026 -0.397) 4.957 3.209 ( 2.250 -4.215 1.681) 5.065 3.314 ( 1.972 -5.533 0.051) 5.875 3.352 ( -0.122 -8.443 -1.279) 8.541 3.952 ( -1.022 -0.443 -0.458) 1.205 4.348 ( -0.987 -0.563 0.271) 1.168 4.431 ( -0.812 1.937 0.212) 2.111 5.073 ( 0.497 -1.074 -1.569) 1.965 5.087 ( -0.090 0.371 -1.551) 1.598 5.178 ( 1.376 0.533 2.396) 2.814 5.191 ( 1.264 0.600 0.399) 1.455 5.294 ( -0.740 1.311 -0.458) 1.574 5.313 ( -0.619 -0.198 0.823) 1.049 5.636 ( 1.758 1.031 0.793) 2.187 5.744 ( -0.266 2.929 1.056) 3.125 5.773 ( -0.113 3.016 -0.883) 3.145 5.813 ( 1.830 0.980 -0.672) 2.182 6.008 ( 0.144 2.699 -0.069) 2.703 6.044 ( -1.538 0.486 -0.638) 1.734 7.743 ( -0.118 0.552 -0.178) 0.591 8.081 ( 1.209 -0.216 0.771) 1.450 8.201 ( 0.604 2.182 -0.211) 2.273======================= Grid point 19 (13/231) =======================q-point: ( 0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.247 ( 1.230 -10.740 3.311) 11.306 1.341 ( -6.720 -0.568 -2.417) 7.164 1.392 ( -4.963 -2.572 -3.730) 6.720 1.479 ( -8.470 -9.684 -5.103) 13.841 1.585 ( 0.081 -1.212 2.273) 2.577 1.718 ( -3.851 2.307 -0.691) 4.542 1.785 ( -0.252 -3.212 3.650) 4.869 1.830 ( -1.375 -2.746 0.406) 3.098 2.056 ( 0.971 0.626 1.506) 1.899 2.240 ( -1.190 2.626 0.876) 3.013 2.335 ( 2.293 3.061 -0.148) 3.828 2.459 ( 0.639 2.461 2.820) 3.797 2.558 ( -0.022 4.477 -1.802) 4.826 2.708 ( 3.377 2.711 -0.592) 4.371 2.751 ( 2.663 3.139 -0.737) 4.181 3.321 ( 2.228 -5.400 2.074) 6.199 3.443 ( 1.427 -6.356 -0.176) 6.517 3.512 ( 0.060 -7.824 -1.062) 7.896 3.985 ( -0.893 -3.044 -0.339) 3.190 4.378 ( -0.715 -2.595 0.656) 2.770 4.418 ( -1.222 -0.717 -0.446) 1.485 5.055 ( 0.046 1.826 -1.071) 2.118 5.092 ( 0.406 -0.581 -1.592) 1.743 5.160 ( 1.327 1.270 1.369) 2.291 5.200 ( 0.978 0.109 1.373) 1.689 5.254 ( -0.694 1.903 -0.282) 2.045 5.306 ( -0.875 0.725 -0.389) 1.201 5.627 ( 1.125 0.917 0.349) 1.493 5.701 ( -0.431 1.499 0.157) 1.568 5.739 ( 1.638 0.814 0.430) 1.879 5.824 ( 1.704 -0.599 0.073) 1.808 5.980 ( 0.171 0.593 -0.438) 0.757 6.023 ( -1.179 1.062 -0.624) 1.705 7.734 ( -0.078 0.324 -0.095) 0.346 8.096 ( 1.077 -0.650 0.454) 1.338 8.167 ( 0.582 1.824 0.020) 1.915======================= Grid point 20 (14/231) =======================q-point: ( 0.54 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.324 ( -1.356 -1.364 -0.504) 1.989 1.400 ( 0.023 -2.820 1.580) 3.233 1.445 ( -0.446 -5.743 -1.077) 5.860 1.544 ( -1.600 1.770 0.439) 2.426 1.619 ( -4.452 -3.908 -5.028) 7.770 1.700 ( -1.787 -3.301 -0.757) 3.829 1.822 ( 0.374 0.112 4.546) 4.563 1.908 ( -0.228 -5.087 -0.127) 5.094 2.007 ( 0.705 5.019 1.814) 5.384 2.211 ( -0.601 -0.669 0.079) 0.902 2.281 ( 1.232 3.205 -0.956) 3.564 2.423 ( 0.129 1.560 1.387) 2.091 2.465 ( 0.071 3.451 -0.947) 3.579 2.653 ( 1.999 3.210 -0.292) 3.793 2.703 ( 0.479 2.058 -0.255) 2.128 3.401 ( 0.706 -1.629 0.781) 1.940 3.532 ( 0.068 -2.247 -0.426) 2.288 3.619 ( 0.409 -3.093 0.009) 3.120 4.033 ( -0.348 -1.817 -0.112) 1.853 4.424 ( -0.104 -1.900 0.748) 2.045 4.429 ( -0.724 -0.698 -0.762) 1.262 5.028 ( 0.033 0.713 -0.356) 0.797 5.103 ( 0.071 -0.619 -1.181) 1.335 5.147 ( 0.854 1.145 1.261) 1.906 5.189 ( -0.269 0.716 0.221) 0.796 5.234 ( 0.199 0.290 0.106) 0.367 5.286 ( -0.472 0.499 -0.336) 0.765 5.616 ( 0.567 0.545 0.076) 0.790 5.684 ( -0.900 0.113 -0.390) 0.988 5.737 ( 1.387 0.731 0.721) 1.725 5.837 ( 0.656 0.101 0.112) 0.674 5.981 ( 0.249 -0.569 -0.086) 0.627 5.996 ( -0.621 0.971 -0.418) 1.225 7.730 ( -0.029 0.086 -0.030) 0.095 8.114 ( 0.544 -0.730 0.149) 0.923 8.136 ( 0.088 1.559 0.027) 1.562======================= Grid point 21 (15/231) =======================q-point: (-0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( 2.895 -1.181 0.368) 3.148 1.394 ( 1.138 2.750 1.218) 3.216 1.465 ( 1.221 1.365 1.398) 2.304 1.547 ( 0.064 -2.964 -1.134) 3.174 1.673 ( -0.646 -4.200 -2.240) 4.804 1.762 ( -0.456 0.377 -0.663) 0.889 1.788 ( 3.123 2.497 2.557) 4.746 1.905 ( -0.529 4.735 -1.441) 4.978 2.004 ( 0.332 -4.167 -0.169) 4.184 2.228 ( 1.708 -0.044 0.313) 1.737 2.261 ( -1.295 -1.960 0.678) 2.445 2.394 ( -1.822 -0.151 -2.400) 3.016 2.483 ( 0.927 -3.682 1.089) 3.950 2.634 ( 0.112 -0.860 0.042) 0.868 2.688 ( -1.439 -0.653 0.603) 1.692 3.382 ( -0.856 3.462 -0.610) 3.618 3.519 ( -1.047 3.290 -0.476) 3.485 3.623 ( 0.386 2.988 0.749) 3.105 4.038 ( 0.208 1.185 0.031) 1.203 4.421 ( 0.023 1.194 -0.729) 1.399 4.447 ( 0.673 -0.042 0.647) 0.935 5.031 ( 0.063 -0.929 0.626) 1.122 5.107 ( -0.007 0.439 0.548) 0.702 5.127 ( -0.736 0.336 -0.447) 0.924 5.190 ( 0.043 -0.070 -0.722) 0.727 5.232 ( -0.000 -0.680 -0.015) 0.681 5.296 ( 0.318 -1.219 0.344) 1.306 5.612 ( 0.100 0.119 0.062) 0.167 5.683 ( -0.983 -0.558 -0.505) 1.239 5.722 ( 0.039 1.015 0.117) 1.022 5.823 ( -0.705 1.253 -0.244) 1.458 5.978 ( -0.182 0.319 0.321) 0.488 6.009 ( 0.556 -1.633 0.200) 1.737 7.731 ( 0.025 -0.155 0.027) 0.160 8.104 ( -0.406 1.455 -0.138) 1.517 8.134 ( -0.149 -1.026 -0.020) 1.037======================= Grid point 22 (16/231) =======================q-point: (-0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.217 ( -0.648 11.176 -1.890) 11.353 1.430 ( 2.767 1.552 0.764) 3.263 1.529 ( 4.901 -3.619 4.780) 7.744 1.575 ( 1.607 0.716 -0.606) 1.861 1.654 ( 5.995 7.900 6.898) 12.080 1.747 ( -0.605 4.654 -5.920) 7.555 1.773 ( 1.097 -4.576 -2.998) 5.579 1.848 ( 0.614 0.126 -0.088) 0.633 2.061 ( 1.266 -1.182 -0.096) 1.735 2.255 ( 1.268 -1.352 -0.188) 1.863 2.301 ( -1.328 -2.397 0.063) 2.741 2.412 ( -2.860 -2.604 -2.386) 4.545 2.556 ( -0.813 -2.768 0.438) 2.918 2.670 ( -0.457 -2.073 -0.007) 2.123 2.706 ( -2.750 -1.429 1.337) 3.375 3.278 ( -1.436 6.134 -1.022) 6.382 3.411 ( -1.468 6.838 -0.334) 7.002 3.520 ( 0.147 7.829 0.814) 7.873 4.000 ( 0.551 2.605 0.198) 2.670 4.387 ( 0.486 2.129 -0.417) 2.224 4.439 ( 0.768 0.863 0.250) 1.182 5.059 ( -0.059 -1.600 0.884) 1.828 5.097 ( 0.104 0.320 1.782) 1.814 5.131 ( -1.073 -0.879 -1.562) 2.089 5.180 ( -0.525 0.380 -0.927) 1.131 5.266 ( 0.467 -2.224 0.117) 2.276 5.318 ( 0.323 -0.635 0.153) 0.728 5.608 ( -0.661 0.122 -0.282) 0.729 5.700 ( -0.220 -1.637 -0.356) 1.690 5.720 ( -0.459 -1.466 0.028) 1.536 5.795 ( -1.249 0.867 -0.103) 1.524 5.979 ( -0.058 -0.547 0.338) 0.645 6.043 ( 0.665 -1.434 0.382) 1.626 7.736 ( 0.063 -0.381 0.074) 0.393 8.077 ( -0.710 1.038 -0.304) 1.294 8.157 ( -0.407 -1.630 -0.024) 1.680======================= Grid point 23 (17/231) =======================q-point: (-0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.979 ( -0.367 13.533 -1.672) 13.641 1.375 ( 2.291 6.154 1.488) 6.733 1.474 ( 6.057 11.746 5.191) 14.198 1.515 ( 0.354 5.765 -2.098) 6.145 1.609 ( 1.807 -0.249 1.093) 2.127 1.670 ( 0.768 3.189 -1.788) 3.736 1.864 ( 2.328 -2.648 -0.436) 3.552 1.874 ( 2.216 -2.426 -0.046) 3.286 2.038 ( 0.719 5.090 -0.003) 5.140 2.249 ( -0.482 2.208 -1.056) 2.494 2.324 ( -1.438 0.128 -0.231) 1.462 2.440 ( -1.482 -1.108 -1.766) 2.558 2.551 ( -1.373 2.785 0.278) 3.118 2.659 ( -0.784 4.145 0.405) 4.238 2.686 ( -2.854 2.934 0.486) 4.122 3.174 ( -0.922 3.505 -0.549) 3.666 3.285 ( -0.938 4.909 -0.018) 4.998 3.355 ( -0.071 8.872 0.409) 8.882 3.968 ( 0.458 0.604 0.198) 0.783 4.361 ( 0.449 0.408 -0.115) 0.618 4.442 ( 0.371 -1.338 -0.109) 1.393 5.071 ( -0.259 0.527 0.609) 0.846 5.103 ( 0.646 0.319 2.464) 2.567 5.140 ( -1.252 -1.376 -2.857) 3.410 5.176 ( -0.364 -0.007 0.066) 0.370 5.305 ( 0.273 -1.367 0.260) 1.418 5.317 ( 0.178 0.842 -0.539) 1.016 5.611 ( -0.676 -1.196 -0.276) 1.401 5.744 ( 0.178 -3.129 -0.736) 3.220 5.779 ( 0.226 -3.821 0.216) 3.834 5.788 ( -1.099 -1.680 0.647) 2.109 6.007 ( -0.057 -2.663 0.049) 2.664 6.067 ( 0.668 -0.836 0.291) 1.109 7.746 ( 0.072 -0.605 0.100) 0.617 8.061 ( -0.576 0.221 -0.363) 0.716 8.193 ( -0.287 -2.427 0.087) 2.445======================= Grid point 24 (18/231) =======================q-point: (-0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( -0.169 14.938 -0.965) 14.970 1.155 ( 2.909 17.851 1.791) 18.175 1.326 ( 2.621 6.514 3.641) 7.910 1.396 ( -0.767 6.428 -3.356) 7.291 1.561 ( -1.138 9.789 -2.280) 10.115 1.591 ( 0.916 4.188 1.066) 4.418 1.810 ( 0.942 9.613 1.030) 9.714 1.889 ( 1.319 4.899 -0.403) 5.089 1.943 ( 0.012 1.069 0.413) 1.146 2.182 ( -0.064 4.609 -0.649) 4.655 2.254 ( -1.077 7.719 0.077) 7.794 2.377 ( -0.283 7.475 -0.766) 7.520 2.520 ( 0.006 -0.916 0.612) 1.101 2.520 ( -0.405 7.753 -0.072) 7.764 2.559 ( -1.949 9.426 -0.006) 9.626 3.137 ( -0.244 0.912 -0.044) 0.945 3.227 ( 0.603 2.833 1.107) 3.101 3.241 ( -0.979 0.329 -1.151) 1.546 3.988 ( 0.106 -2.416 -0.005) 2.419 4.382 ( 0.232 -2.385 0.052) 2.397 4.497 ( 0.038 -4.243 -0.155) 4.246 5.044 ( 0.048 2.202 0.452) 2.248 5.073 ( 0.033 3.011 0.452) 3.045 5.154 ( 0.391 1.873 1.116) 2.215 5.170 ( -0.962 -0.912 -1.938) 2.347 5.290 ( 0.125 1.401 -0.057) 1.408 5.316 ( -0.048 0.469 -0.327) 0.574 5.653 ( -0.078 -3.183 0.056) 3.185 5.808 ( 0.117 -3.171 0.084) 3.174 5.812 ( -0.013 -2.981 -0.303) 2.996 5.899 ( 0.078 -7.090 0.241) 7.094 6.085 ( 0.178 -5.185 0.086) 5.189 6.089 ( 0.344 -1.819 0.005) 1.851 7.759 ( 0.053 -0.806 0.082) 0.812 8.063 ( -0.237 -0.664 -0.257) 0.751 8.244 ( -0.044 -2.983 0.142) 2.986======================= Grid point 25 (19/231) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.424 ( -0.000 14.802 -0.000) 14.802 0.792 ( -0.000 21.031 -0.000) 21.031 1.184 ( -0.000 25.094 -0.000) 25.094 1.228 ( -0.000 4.883 -0.000) 4.883 1.277 ( -0.000 8.323 -0.000) 8.323 1.498 ( -0.000 4.274 -0.000) 4.274 1.683 ( -0.000 15.466 -0.000) 15.466 1.689 ( -0.000 5.253 -0.000) 5.253 1.913 ( -0.000 3.011 -0.000) 3.011 2.012 ( -0.000 15.907 -0.000) 15.907 2.106 ( -0.000 2.222 -0.000) 2.222 2.172 ( -0.000 13.576 -0.000) 13.576 2.323 ( -0.000 14.120 -0.000) 14.120 2.479 ( 0.000 -2.426 0.000) 2.426 2.555 ( 0.000 -1.975 0.000) 1.975 3.129 ( 0.000 -0.549 0.000) 0.549 3.234 ( 0.000 -2.158 0.000) 2.158 3.264 ( 0.000 -2.255 0.000) 2.255 4.046 ( 0.000 -3.427 0.000) 3.427 4.439 ( 0.000 -3.250 0.000) 3.250 4.587 ( 0.000 -4.990 0.000) 4.990 4.995 ( -0.000 2.981 -0.000) 2.981 4.999 ( -0.000 4.573 -0.000) 4.573 5.099 ( -0.000 3.523 -0.000) 3.523 5.154 ( -0.000 2.386 -0.000) 2.386 5.284 ( -0.000 2.812 -0.000) 2.812 5.287 ( 0.000 -1.018 0.000) 1.018 5.713 ( 0.000 -3.048 0.000) 3.048 5.850 ( 0.000 -0.998 0.000) 0.998 5.899 ( 0.000 -5.792 0.000) 5.792 6.033 ( 0.000 -6.586 0.000) 6.586 6.136 ( 0.000 -3.373 0.000) 3.373 6.200 ( 0.000 -6.177 0.000) 6.177 7.775 ( 0.000 -0.841 0.000) 0.841 8.080 ( 0.000 -1.117 0.000) 1.117 8.300 ( 0.000 -2.786 0.000) 2.786======================= Grid point 28 (20/231) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.229 ( 10.352 0.000 4.845) 11.430 0.381 ( 17.970 0.000 8.866) 20.039 0.469 ( 21.522 0.000 12.652) 24.966 1.003 ( -5.578 -0.000 -15.135) 16.130 1.190 ( 0.250 0.000 -5.998) 6.003 1.290 ( 5.354 0.000 4.951) 7.292 1.496 ( 2.269 0.000 2.310) 3.238 1.498 ( 2.288 0.000 1.586) 2.784 1.589 ( -0.056 -0.000 0.006) 0.057 1.818 ( -0.145 -0.000 -0.402) 0.427 1.851 ( -2.516 -0.000 0.147) 2.521 1.915 ( -0.528 -0.000 0.365) 0.642 2.085 ( -2.256 -0.000 0.385) 2.289 2.541 ( -2.244 -0.000 -0.176) 2.251 2.596 ( -1.126 -0.000 -2.358) 2.613 3.165 ( -0.481 -0.000 0.743) 0.885 3.228 ( -3.511 -0.000 -3.934) 5.274 3.384 ( 2.333 0.000 3.637) 4.321 4.262 ( -2.741 -0.000 10.260) 10.620 4.508 ( -0.544 -0.000 0.070) 0.548 4.712 ( -1.281 -0.000 -0.589) 1.409 4.846 ( -1.325 -0.000 0.158) 1.334 4.908 ( -0.995 -0.000 -0.091) 0.999 4.992 ( -1.688 -0.000 0.104) 1.691 5.089 ( 0.813 0.000 0.366) 0.891 5.189 ( 2.131 0.000 -0.175) 2.138 5.217 ( 2.197 0.000 -0.033) 2.197 5.350 ( 1.794 0.000 4.295) 4.655 5.950 ( -3.007 -0.000 15.552) 15.840 6.065 ( 1.060 0.000 -2.742) 2.940 6.154 ( -1.604 -0.000 -0.243) 1.622 6.221 ( -0.713 -0.000 -0.560) 0.907 6.324 ( -1.408 -0.000 -0.038) 1.408 7.792 ( -0.214 -0.000 -0.223) 0.308 8.114 ( -0.356 -0.000 1.589) 1.628 8.347 ( -0.970 -0.000 -1.273) 1.600======================= Grid point 29 (21/231) =======================q-point: ( 0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.249 ( 7.221 -3.443 3.160) 8.601 0.437 ( 9.775 -7.669 5.834) 13.725 0.916 ( 10.805 -21.767 7.677) 25.485 0.990 ( -3.587 -4.189 -11.551) 12.800 1.253 ( 2.111 -3.954 1.804) 4.831 1.342 ( -0.855 -4.859 -6.533) 8.187 1.523 ( 3.057 -3.533 3.004) 5.555 1.623 ( 3.476 -8.770 3.303) 9.995 1.733 ( 0.214 -12.592 -0.037) 12.594 1.832 ( -2.187 -2.177 -0.741) 3.173 1.926 ( -0.682 -9.886 -1.332) 9.999 2.058 ( -0.789 -8.164 -0.057) 8.202 2.088 ( -0.451 -6.128 1.084) 6.240 2.514 ( -1.882 1.463 0.412) 2.419 2.569 ( -0.922 1.580 -3.265) 3.742 3.151 ( -0.385 1.132 0.796) 1.437 3.199 ( -2.962 0.827 -3.419) 4.598 3.373 ( 2.257 2.422 3.177) 4.588 4.162 ( 1.471 6.250 4.320) 7.739 4.482 ( -0.686 2.289 -0.291) 2.407 4.667 ( -0.522 3.476 -0.534) 3.555 4.886 ( -1.343 -3.868 -1.079) 4.235 4.939 ( -0.572 -3.336 -0.196) 3.390 5.014 ( -1.300 -2.888 -0.076) 3.168 5.130 ( 1.083 -2.765 0.828) 3.083 5.244 ( 1.587 -1.927 0.088) 2.498 5.325 ( -1.079 -0.790 3.442) 3.692 5.468 ( -5.754 -13.168 -3.516) 14.794 5.922 ( -1.151 3.181 10.582) 11.110 6.014 ( 1.214 4.961 -1.954) 5.468 6.110 ( -1.644 3.618 -0.664) 4.028 6.185 ( -0.780 3.244 -0.630) 3.395 6.282 ( -1.393 3.628 -0.049) 3.886 7.785 ( -0.220 0.580 -0.345) 0.710 8.106 ( 0.005 0.761 1.460) 1.646 8.327 ( -0.922 1.406 -1.377) 2.173======================= Grid point 30 (22/231) =======================q-point: ( 0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.462 ( 1.359 -14.128 5.963) 15.395 0.686 ( 0.617 -14.564 0.085) 14.578 1.037 ( -6.696 -6.910 -10.989) 14.607 1.319 ( -0.684 -4.291 2.343) 4.936 1.377 ( 2.476 -16.906 4.680) 17.716 1.427 ( -1.365 -5.976 -2.878) 6.772 1.657 ( 1.324 -7.095 1.767) 7.430 1.748 ( -1.290 -3.012 1.111) 3.460 1.883 ( 0.116 -5.759 -1.380) 5.923 2.023 ( -1.340 -9.661 -0.383) 9.761 2.100 ( 1.985 -12.915 0.171) 13.068 2.205 ( 1.140 -12.250 0.928) 12.338 2.355 ( 2.796 -14.115 0.389) 14.395 2.505 ( 0.565 -2.445 0.834) 2.645 2.534 ( -0.384 1.181 -3.264) 3.493 3.135 ( 0.114 0.162 0.517) 0.553 3.176 ( -1.612 -0.230 -2.303) 2.820 3.328 ( 1.988 3.384 2.440) 4.621 4.064 ( 0.550 5.211 1.251) 5.387 4.423 ( -0.895 3.338 -0.397) 3.479 4.589 ( -0.030 4.682 0.246) 4.689 4.960 ( -0.867 -4.395 -1.648) 4.774 5.011 ( 0.042 -3.948 -0.340) 3.963 5.079 ( -0.406 -4.199 -0.626) 4.264 5.197 ( 1.302 -3.127 1.707) 3.793 5.278 ( 0.491 -0.464 1.449) 1.599 5.322 ( 0.284 0.276 2.024) 2.062 5.619 ( -3.298 -5.766 -2.810) 7.213 5.856 ( -0.700 4.022 4.532) 6.099 5.910 ( 0.828 5.779 -0.033) 5.838 6.011 ( -1.183 5.932 -0.945) 6.123 6.108 ( -1.094 3.800 -0.620) 4.002 6.187 ( -0.890 5.519 0.074) 5.591 7.770 ( -0.199 0.792 -0.358) 0.892 8.094 ( 0.463 0.758 1.320) 1.591 8.288 ( -0.458 2.144 -1.132) 2.468======================= Grid point 31 (23/231) =======================q-point: ( 0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( 1.133 -14.915 6.748) 16.410 0.954 ( -4.861 -14.581 -2.239) 15.532 1.143 ( -6.933 -8.272 -7.479) 13.131 1.362 ( -8.840 -2.910 -6.129) 11.144 1.482 ( -0.310 -3.515 1.693) 3.913 1.655 ( -0.872 -7.457 6.516) 9.941 1.732 ( -1.050 -1.955 -0.533) 2.282 1.797 ( -4.109 -2.145 -0.405) 4.653 1.957 ( 1.077 -3.793 -0.278) 3.953 2.175 ( -1.397 -7.199 0.945) 7.394 2.330 ( 3.633 -7.157 0.691) 8.056 2.441 ( 2.231 -9.967 3.263) 10.722 2.510 ( 0.225 -0.400 -2.371) 2.415 2.578 ( 3.207 -8.942 -0.759) 9.530 2.664 ( 3.946 -9.626 -0.199) 10.406 3.158 ( 0.981 -2.378 0.252) 2.584 3.211 ( -0.056 -4.669 -1.068) 4.790 3.289 ( 1.535 1.044 1.144) 2.181 3.979 ( -0.469 3.586 -0.028) 3.617 4.361 ( -1.005 2.335 -0.151) 2.546 4.497 ( -0.167 4.797 0.537) 4.830 5.030 ( -0.133 -3.289 -1.773) 3.739 5.072 ( 0.304 -2.179 -0.662) 2.297 5.152 ( 0.608 -3.172 -0.338) 3.247 5.232 ( 1.631 1.212 2.754) 3.423 5.282 ( -0.505 -1.051 0.387) 1.229 5.322 ( -0.123 0.456 1.014) 1.118 5.662 ( 0.600 -0.020 -0.171) 0.625 5.797 ( -0.896 1.935 1.205) 2.449 5.819 ( 0.454 4.011 -0.411) 4.057 5.890 ( -0.136 5.850 -0.931) 5.925 6.050 ( -1.506 1.530 -0.476) 2.199 6.082 ( -0.228 4.953 0.135) 4.960 7.754 ( -0.141 0.722 -0.260) 0.780 8.088 ( 0.930 0.290 1.072) 1.449 8.245 ( 0.174 2.220 -0.659) 2.323======================= Grid point 32 (24/231) =======================q-point: ( 0.46 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.033 ( 1.482 -13.213 5.816) 14.512 1.177 ( -7.405 -12.420 -3.501) 14.878 1.250 ( -7.489 -6.478 -3.957) 10.663 1.348 ( -8.694 -1.901 -7.319) 11.523 1.548 ( 0.342 -2.939 3.716) 4.751 1.725 ( -3.255 -0.915 2.748) 4.357 1.744 ( -1.884 -0.873 -1.340) 2.471 1.789 ( -1.851 -0.400 1.004) 2.143 2.033 ( 0.617 -3.186 0.309) 3.260 2.258 ( -0.821 -1.468 1.179) 2.054 2.397 ( 2.922 1.311 1.009) 3.358 2.493 ( 0.324 0.396 2.664) 2.713 2.589 ( 0.634 -2.083 -1.625) 2.717 2.721 ( 3.464 -3.566 -0.821) 5.038 2.794 ( 3.790 -1.603 -0.288) 4.125 3.235 ( 2.485 -4.749 2.185) 5.788 3.330 ( 1.507 -5.249 -0.308) 5.470 3.347 ( -0.148 -8.681 -1.386) 8.792 3.942 ( -0.996 -0.333 -0.455) 1.145 4.340 ( -0.943 -0.670 0.269) 1.188 4.425 ( -0.771 2.329 0.190) 2.461 5.074 ( 0.474 -1.479 -1.502) 2.160 5.084 ( 0.051 0.737 -1.045) 1.280 5.195 ( 1.291 0.025 1.793) 2.209 5.205 ( 1.463 0.972 0.658) 1.875 5.285 ( -0.912 1.306 -0.524) 1.677 5.308 ( -0.763 0.279 0.683) 1.062 5.655 ( 1.911 1.095 0.954) 2.401 5.744 ( -0.328 3.030 0.631) 3.112 5.771 ( -0.008 2.046 -0.808) 2.200 5.828 ( 1.637 0.638 -0.514) 1.831 6.009 ( 0.153 2.694 -0.076) 2.699 6.028 ( -1.549 0.360 -0.581) 1.693 7.742 ( -0.093 0.528 -0.149) 0.557 8.094 ( 1.130 -0.223 0.729) 1.363 8.206 ( 0.562 2.032 -0.216) 2.119======================= Grid point 33 (25/231) =======================q-point: ( 0.54 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( -0.561 -8.481 2.500) 8.859 1.281 ( -3.638 -3.940 -1.385) 5.538 1.339 ( -5.429 -6.916 -3.156) 9.342 1.403 ( -5.716 -8.091 -3.665) 10.562 1.592 ( 0.006 -0.800 2.766) 2.879 1.683 ( -3.129 1.226 -1.515) 3.686 1.781 ( -1.797 -2.669 1.994) 3.785 1.823 ( -0.311 -3.421 -0.016) 3.435 2.077 ( 2.429 -0.207 2.421) 3.436 2.228 ( -1.905 3.063 0.271) 3.617 2.355 ( 2.225 3.678 -0.262) 4.307 2.466 ( -0.543 2.437 2.351) 3.430 2.554 ( 0.108 4.618 -1.865) 4.982 2.736 ( 2.971 2.795 -0.498) 4.109 2.771 ( 2.054 4.149 -0.367) 4.644 3.345 ( 2.070 -4.730 2.253) 5.633 3.449 ( 0.267 -6.121 -1.141) 6.232 3.513 ( 0.586 -7.988 -0.405) 8.020 3.976 ( -0.781 -3.262 -0.305) 3.368 4.373 ( -0.586 -2.846 0.565) 2.960 4.407 ( -1.040 -0.627 -0.407) 1.281 5.053 ( 0.033 1.826 -0.805) 1.996 5.093 ( 0.436 -0.530 -1.198) 1.380 5.175 ( 1.207 1.270 1.123) 2.081 5.211 ( 0.781 0.936 1.171) 1.691 5.248 ( -0.371 1.348 -0.277) 1.426 5.296 ( -1.078 0.711 -0.470) 1.374 5.638 ( 1.182 1.343 0.341) 1.821 5.695 ( -0.751 1.680 -0.131) 1.845 5.756 ( 1.674 0.381 0.607) 1.821 5.838 ( 1.343 -0.419 0.003) 1.407 5.980 ( 0.185 0.609 -0.346) 0.724 6.011 ( -1.101 0.825 -0.540) 1.478 7.733 ( -0.059 0.303 -0.072) 0.317 8.106 ( 0.903 -0.465 0.379) 1.084 8.172 ( 0.467 1.932 0.008) 1.987======================= Grid point 34 (26/231) =======================q-point: ( 0.62 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( 0.827 -4.244 0.473) 4.350 1.402 ( -0.545 -2.996 1.971) 3.628 1.440 ( -0.013 -6.113 -1.419) 6.275 1.514 ( -4.369 -3.866 -2.335) 6.284 1.581 ( -1.740 -0.129 -1.925) 2.598 1.690 ( -0.468 -3.278 -0.110) 3.313 1.826 ( -0.931 -2.151 2.303) 3.286 1.905 ( -0.183 -5.121 -0.331) 5.134 2.023 ( 1.558 6.977 2.625) 7.616 2.203 ( -1.046 -1.724 -0.469) 2.070 2.289 ( 0.965 3.542 -0.653) 3.729 2.424 ( -0.156 2.469 0.284) 2.490 2.467 ( 0.465 2.552 -0.078) 2.595 2.671 ( 2.043 4.029 -0.360) 4.532 2.705 ( -0.094 2.763 0.005) 2.764 3.407 ( 0.444 -0.714 0.615) 1.042 3.529 ( -0.344 -1.944 -0.668) 2.084 3.625 ( 0.584 -3.114 0.311) 3.184 4.030 ( -0.286 -2.077 -0.106) 2.100 4.420 ( -0.566 -0.919 -0.409) 1.154 4.426 ( -0.030 -2.297 0.366) 2.326 5.028 ( 0.049 0.600 -0.160) 0.623 5.101 ( 0.060 -0.439 -0.901) 1.003 5.157 ( 0.658 1.870 1.164) 2.299 5.187 ( -0.249 0.439 -0.127) 0.520 5.236 ( 0.166 0.612 0.058) 0.637 5.282 ( -0.372 -0.076 -0.204) 0.432 5.622 ( 0.798 0.775 0.164) 1.125 5.674 ( -1.134 0.260 -0.480) 1.259 5.750 ( 1.114 1.277 0.616) 1.803 5.842 ( 0.426 0.660 0.031) 0.786 5.983 ( 0.145 -0.569 0.241) 0.634 5.990 ( -0.401 0.518 -0.574) 0.871 7.730 ( -0.020 0.059 -0.021) 0.066 8.118 ( 0.437 -0.481 0.105) 0.659 8.137 ( 0.011 1.844 0.018) 1.844======================= Grid point 35 (27/231) =======================q-point: (-0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.388 ( -0.099 6.154 -0.268) 6.161 1.428 ( 2.909 -3.170 1.350) 4.510 1.481 ( 1.281 -2.413 1.608) 3.170 1.551 ( 1.317 -3.157 0.662) 3.485 1.642 ( -3.745 -6.123 -5.128) 8.821 1.756 ( 0.095 -1.732 -0.194) 1.746 1.828 ( 2.954 3.355 4.212) 6.141 1.893 ( -1.156 4.941 -2.180) 5.523 2.007 ( 0.216 -4.660 -0.057) 4.666 2.243 ( 0.889 -1.762 0.036) 1.974 2.255 ( 0.154 -0.361 0.933) 1.012 2.372 ( -1.697 0.940 -1.748) 2.611 2.491 ( 0.495 -3.292 0.515) 3.368 2.640 ( 1.154 -0.266 -0.135) 1.193 2.675 ( -1.651 -0.083 0.545) 1.741 3.374 ( -0.541 4.036 -0.342) 4.087 3.509 ( -0.700 3.594 -0.348) 3.678 3.628 ( 0.285 3.063 0.494) 3.116 4.040 ( 0.101 0.954 0.006) 0.960 4.419 ( 0.013 0.893 -0.417) 0.986 4.453 ( 0.373 -0.236 0.353) 0.565 5.033 ( 0.060 -0.999 0.434) 1.091 5.107 ( -0.030 -0.185 -0.079) 0.204 5.122 ( -0.377 1.300 0.148) 1.362 5.188 ( -0.039 0.360 -0.518) 0.632 5.232 ( 0.052 -1.033 0.021) 1.035 5.298 ( 0.162 -1.351 0.198) 1.375 5.614 ( 0.205 0.520 0.066) 0.563 5.673 ( -0.832 -0.828 -0.386) 1.236 5.723 ( 0.173 1.498 0.147) 1.515 5.817 ( -0.430 1.738 -0.170) 1.799 5.978 ( -0.090 0.211 0.208) 0.309 6.013 ( 0.314 -1.802 0.102) 1.832 7.731 ( 0.014 -0.182 0.015) 0.183 8.101 ( -0.220 1.722 -0.079) 1.738 8.133 ( -0.093 -0.858 -0.010) 0.863======================= Grid point 36 (28/231) =======================q-point: (-0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( -0.227 11.212 -0.671) 11.234 1.449 ( 1.130 1.568 0.385) 1.971 1.547 ( -0.148 -2.023 0.098) 2.031 1.611 ( 3.233 0.322 2.634) 4.183 1.707 ( 2.535 4.025 4.748) 6.721 1.729 ( -0.692 1.465 -3.708) 4.046 1.766 ( -0.436 -0.447 -3.362) 3.419 1.852 ( 0.223 -1.217 0.181) 1.251 2.071 ( 0.655 -1.466 -0.000) 1.606 2.267 ( 0.954 -0.350 0.144) 1.027 2.293 ( -0.496 -2.270 0.069) 2.325 2.386 ( -1.687 -2.894 -1.108) 3.529 2.551 ( -0.420 -2.094 0.115) 2.139 2.673 ( 1.132 -1.607 -0.721) 2.094 2.686 ( -2.154 -1.228 1.220) 2.763 3.268 ( -0.523 6.244 -0.349) 6.275 3.401 ( -0.550 6.908 -0.131) 6.931 3.522 ( 0.051 7.909 0.286) 7.914 4.004 ( 0.196 2.490 0.069) 2.499 4.389 ( 0.176 2.013 -0.149) 2.027 4.444 ( 0.272 0.897 0.086) 0.941 5.060 ( -0.026 -1.463 0.337) 1.501 5.102 ( 0.263 -0.009 1.195) 1.224 5.120 ( -0.599 -0.528 -1.113) 1.370 5.175 ( -0.176 0.371 -0.339) 0.533 5.269 ( 0.167 -2.257 0.038) 2.264 5.320 ( 0.099 -0.593 0.048) 0.603 5.604 ( -0.239 0.400 -0.110) 0.479 5.698 ( -0.104 -1.914 -0.115) 1.920 5.717 ( -0.118 -1.409 0.005) 1.414 5.787 ( -0.465 0.909 -0.042) 1.022 5.980 ( -0.016 -0.529 0.126) 0.544 6.048 ( 0.232 -1.517 0.135) 1.540 7.736 ( 0.024 -0.400 0.028) 0.402 8.072 ( -0.256 1.142 -0.110) 1.176 8.154 ( -0.148 -1.582 -0.009) 1.589======================= Grid point 37 (29/231) =======================q-point: (-0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.976 ( -0.000 13.532 -0.000) 13.532 1.387 ( -0.000 5.714 -0.000) 5.714 1.507 ( -0.000 5.538 -0.000) 5.538 1.520 ( -0.000 13.281 -0.000) 13.281 1.608 ( 0.000 -0.750 0.000) 0.750 1.679 ( -0.000 3.523 -0.000) 3.523 1.875 ( 0.000 -5.251 0.000) 5.251 1.883 ( 0.000 -1.305 0.000) 1.305 2.042 ( -0.000 5.657 -0.000) 5.657 2.245 ( -0.000 2.529 -0.000) 2.529 2.317 ( -0.000 0.276 -0.000) 0.276 2.430 ( 0.000 -1.366 0.000) 1.366 2.545 ( -0.000 2.587 -0.000) 2.587 2.657 ( -0.000 4.625 -0.000) 4.625 2.673 ( -0.000 2.868 -0.000) 2.868 3.169 ( -0.000 3.405 -0.000) 3.405 3.281 ( -0.000 4.786 -0.000) 4.786 3.355 ( -0.000 8.947 -0.000) 8.947 3.970 ( -0.000 0.627 -0.000) 0.627 4.363 ( -0.000 0.387 -0.000) 0.387 4.444 ( 0.000 -1.252 0.000) 1.252 5.070 ( -0.000 0.484 -0.000) 0.484 5.112 ( -0.000 1.138 -0.000) 1.138 5.128 ( 0.000 -2.183 0.000) 2.183 5.175 ( -0.000 0.018 -0.000) 0.018 5.306 ( 0.000 -1.417 0.000) 1.417 5.317 ( -0.000 0.971 -0.000) 0.971 5.607 ( 0.000 -1.240 0.000) 1.240 5.744 ( 0.000 -3.171 0.000) 3.171 5.781 ( 0.000 -5.147 0.000) 5.147 5.783 ( 0.000 -0.553 0.000) 0.553 6.007 ( 0.000 -2.654 0.000) 2.654 6.070 ( 0.000 -0.901 0.000) 0.901 7.746 ( 0.000 -0.615 0.000) 0.615 8.058 ( -0.000 0.223 -0.000) 0.223 8.192 ( 0.000 -2.464 0.000) 2.464======================= Grid point 42 (30/231) =======================q-point: ( 0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.323 ( 8.211 0.000 4.039) 9.151 0.554 ( 16.094 0.000 8.750) 18.319 0.672 ( 16.591 0.000 9.905) 19.323 0.930 ( -2.356 -0.000 -11.733) 11.967 1.174 ( -0.261 -0.000 -7.698) 7.702 1.351 ( 6.130 0.000 2.341) 6.562 1.517 ( 1.482 0.000 0.078) 1.484 1.525 ( 2.500 0.000 2.606) 3.612 1.589 ( 0.450 0.000 0.066) 0.455 1.814 ( -0.449 -0.000 -0.703) 0.834 1.827 ( -2.850 -0.000 0.462) 2.888 1.910 ( -0.670 -0.000 0.523) 0.850 2.062 ( -2.964 -0.000 0.196) 2.971 2.518 ( -2.623 -0.000 -0.318) 2.642 2.577 ( -1.751 -0.000 -2.963) 3.442 3.161 ( -0.830 -0.000 0.571) 1.007 3.189 ( -3.204 -0.000 -3.178) 4.513 3.411 ( 2.052 0.000 2.818) 3.486 4.261 ( -1.708 -0.000 6.321) 6.547 4.503 ( -0.676 -0.000 0.079) 0.681 4.699 ( -1.153 -0.000 -1.410) 1.822 4.834 ( -1.422 -0.000 0.183) 1.434 4.898 ( -1.173 -0.000 -0.126) 1.180 4.978 ( -1.573 -0.000 0.217) 1.587 5.097 ( 0.803 0.000 0.278) 0.849 5.210 ( 2.427 0.000 -0.104) 2.429 5.237 ( 2.308 0.000 -0.052) 2.309 5.378 ( 1.953 0.000 4.861) 5.239 5.960 ( -1.327 -0.000 10.262) 10.348 6.068 ( 0.875 0.000 -1.926) 2.115 6.136 ( -2.273 -0.000 -0.415) 2.310 6.214 ( -0.520 -0.000 -0.623) 0.812 6.309 ( -1.765 -0.000 -0.149) 1.771 7.789 ( -0.268 -0.000 -0.271) 0.381 8.115 ( -0.260 -0.000 1.619) 1.640 8.334 ( -1.205 -0.000 -1.631) 2.028======================= Grid point 43 (31/231) =======================q-point: ( 0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.327 ( 7.809 -0.514 3.926) 8.756 0.556 ( 12.535 -1.481 8.142) 15.021 0.891 ( -5.411 -4.517 -12.714) 14.537 1.059 ( 9.979 -16.871 9.053) 21.591 1.266 ( 0.560 -8.515 -3.440) 9.200 1.325 ( 0.345 2.577 -3.074) 4.026 1.551 ( 2.009 -3.731 0.948) 4.343 1.662 ( 3.551 -9.184 3.020) 10.299 1.732 ( -0.508 -10.322 0.105) 10.335 1.816 ( -0.811 -4.893 -0.251) 4.966 1.913 ( -1.286 -9.133 -1.569) 9.355 2.047 ( -1.739 -5.320 -0.003) 5.597 2.091 ( 0.612 -11.409 0.663) 11.445 2.498 ( -2.072 0.706 0.644) 2.282 2.551 ( -1.364 1.261 -3.529) 3.988 3.148 ( -0.668 0.839 0.499) 1.183 3.167 ( -2.497 0.422 -2.556) 3.598 3.398 ( 1.912 2.439 2.408) 3.924 4.180 ( 0.699 6.252 3.408) 7.155 4.475 ( -0.737 2.407 -0.233) 2.528 4.661 ( -0.542 2.989 -0.685) 3.114 4.872 ( -1.243 -3.889 -0.800) 4.161 4.932 ( -0.802 -3.709 -0.250) 3.803 5.003 ( -1.045 -3.136 0.087) 3.307 5.140 ( 0.627 -3.134 0.647) 3.261 5.259 ( 1.716 -1.578 0.383) 2.362 5.317 ( -1.518 -3.338 1.408) 3.928 5.441 ( -0.514 -7.828 0.511) 7.862 5.935 ( -0.609 3.213 7.737) 8.399 6.020 ( 1.063 4.831 -1.540) 5.181 6.092 ( -2.080 3.394 -0.660) 4.036 6.177 ( -0.496 3.380 -0.675) 3.482 6.268 ( -1.570 3.388 -0.111) 3.736 7.782 ( -0.230 0.573 -0.326) 0.698 8.110 ( 0.020 0.588 1.525) 1.634 8.315 ( -1.013 1.185 -1.553) 2.200======================= Grid point 44 (32/231) =======================q-point: ( 0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.499 ( 3.821 -12.468 7.409) 14.998 0.718 ( 5.206 -9.527 3.638) 11.450 0.950 ( -7.144 -7.033 -11.014) 14.893 1.277 ( -7.139 -0.954 -7.274) 10.237 1.379 ( -0.388 -8.786 0.522) 8.810 1.459 ( 3.922 -11.973 8.192) 15.028 1.672 ( 0.834 -7.216 0.303) 7.271 1.731 ( -2.305 -0.187 0.487) 2.364 1.888 ( 1.336 -6.054 -0.497) 6.219 2.003 ( -2.519 -8.389 -0.735) 8.790 2.125 ( 3.151 -15.557 0.623) 15.885 2.216 ( 0.937 -13.145 0.992) 13.216 2.384 ( 3.423 -14.522 -0.018) 14.920 2.508 ( -0.312 -3.974 0.807) 4.067 2.523 ( -0.361 0.528 -3.094) 3.160 3.137 ( -0.022 -0.098 0.404) 0.416 3.158 ( -1.281 -1.029 -1.803) 2.439 3.350 ( 1.657 3.524 1.882) 4.325 4.071 ( 0.397 5.845 1.066) 5.955 4.414 ( -0.849 3.398 -0.328) 3.518 4.589 ( -0.053 4.497 0.151) 4.500 4.950 ( -0.637 -4.609 -1.282) 4.826 5.009 ( -0.091 -4.243 -0.337) 4.258 5.076 ( -0.179 -4.535 -0.373) 4.554 5.210 ( 0.827 -3.448 1.143) 3.726 5.288 ( 0.862 -0.057 1.937) 2.121 5.326 ( -0.118 0.297 1.203) 1.245 5.590 ( -2.068 -7.005 -1.630) 7.483 5.860 ( -0.425 4.715 3.523) 5.901 5.919 ( 1.015 5.796 -0.043) 5.885 5.997 ( -1.426 5.499 -0.851) 5.744 6.098 ( -0.722 4.055 -0.606) 4.163 6.179 ( -0.901 5.145 0.037) 5.223 7.767 ( -0.163 0.766 -0.302) 0.839 8.101 ( 0.433 0.558 1.272) 1.455 8.282 ( -0.449 1.784 -1.130) 2.158======================= Grid point 45 (33/231) =======================q-point: ( 0.46 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.782 ( 1.768 -14.467 7.387) 16.340 0.932 ( 0.253 -11.020 1.251) 11.094 1.060 ( -7.597 -8.881 -7.921) 14.119 1.255 ( -10.429 -2.116 -8.910) 13.879 1.488 ( 0.103 -4.270 2.992) 5.215 1.653 ( -1.539 -5.936 3.629) 7.126 1.720 ( -2.137 -0.336 -0.650) 2.259 1.772 ( -0.890 -2.394 1.100) 2.781 1.965 ( 0.858 -3.727 -0.164) 3.828 2.164 ( -1.407 -7.994 0.519) 8.134 2.363 ( 3.177 -6.992 1.112) 7.760 2.463 ( 1.145 -10.138 1.938) 10.385 2.508 ( 0.329 -0.249 -1.586) 1.639 2.604 ( 2.730 -9.202 -0.808) 9.633 2.695 ( 2.915 -10.419 -0.206) 10.821 3.167 ( 0.824 -3.187 0.263) 3.303 3.208 ( -0.042 -5.176 -0.858) 5.247 3.304 ( 1.207 1.470 0.854) 2.085 3.975 ( -0.403 4.060 -0.043) 4.080 4.352 ( -0.844 2.326 -0.103) 2.476 4.497 ( -0.138 4.999 0.413) 5.018 5.025 ( -0.019 -3.553 -1.305) 3.785 5.073 ( 0.222 -2.132 -0.524) 2.207 5.157 ( 0.677 -3.726 -0.124) 3.789 5.251 ( 1.291 1.256 1.919) 2.632 5.278 ( -0.521 -0.503 0.452) 0.854 5.323 ( -0.146 0.648 0.773) 1.019 5.667 ( 0.615 -1.667 -0.113) 1.781 5.792 ( -0.757 2.057 1.047) 2.428 5.822 ( 0.429 4.646 -0.464) 4.688 5.887 ( -0.141 5.002 -0.734) 5.057 6.037 ( -1.129 1.784 -0.384) 2.146 6.081 ( -0.195 4.692 0.114) 4.697 7.753 ( -0.096 0.695 -0.194) 0.728 8.098 ( 0.761 0.139 0.902) 1.188 8.245 ( 0.139 1.901 -0.577) 1.991======================= Grid point 46 (34/231) =======================q-point: ( 0.54 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( 0.311 -13.108 5.314) 14.147 1.128 ( -1.918 -10.206 -0.341) 10.390 1.171 ( -7.496 -6.443 -4.165) 10.726 1.263 ( -6.563 -4.817 -6.849) 10.639 1.559 ( 0.255 -2.818 3.588) 4.569 1.684 ( -3.949 0.250 -1.859) 4.372 1.737 ( -1.135 -1.836 1.082) 2.415 1.786 ( 0.123 -0.486 1.157) 1.261 2.041 ( 0.841 -3.644 0.442) 3.766 2.252 ( -0.949 -1.271 0.663) 1.719 2.424 ( 2.604 1.450 0.617) 3.044 2.498 ( -0.514 0.791 2.209) 2.402 2.588 ( 0.174 -1.765 -1.752) 2.493 2.747 ( 2.494 -3.564 -0.395) 4.368 2.821 ( 2.476 -1.328 -0.180) 2.816 3.263 ( 2.393 -5.417 2.519) 6.435 3.330 ( -0.758 -5.290 -2.112) 5.747 3.351 ( 1.079 -8.337 -0.022) 8.407 3.933 ( -0.730 -0.234 -0.339) 0.838 4.333 ( -0.676 -0.763 0.199) 1.039 4.419 ( -0.549 2.664 0.131) 2.723 5.075 ( 0.363 -1.713 -1.014) 2.024 5.083 ( 0.065 0.925 -0.648) 1.132 5.209 ( 0.962 0.289 1.280) 1.627 5.220 ( 1.451 0.419 0.545) 1.606 5.275 ( -1.014 1.327 -0.548) 1.757 5.303 ( -0.682 0.838 0.446) 1.169 5.673 ( 1.606 1.288 0.912) 2.251 5.741 ( -0.428 3.396 0.027) 3.423 5.770 ( 0.118 0.790 -0.425) 0.905 5.839 ( 1.110 0.374 -0.336) 1.219 6.010 ( 0.087 2.520 -0.287) 2.538 6.015 ( -1.145 0.478 -0.174) 1.253 7.741 ( -0.056 0.514 -0.096) 0.526 8.104 ( 0.798 -0.233 0.521) 0.981 8.210 ( 0.394 1.909 -0.166) 1.956======================= Grid point 47 (35/231) =======================q-point: ( 0.62 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( -2.788 -5.128 -1.013) 5.924 1.281 ( -3.252 -9.282 0.343) 9.841 1.298 ( 0.856 -8.572 0.354) 8.622 1.357 ( -3.438 -7.247 -2.691) 8.460 1.598 ( -0.011 -0.397 2.239) 2.274 1.657 ( -1.713 0.063 -1.455) 2.249 1.768 ( -1.444 -2.374 0.772) 2.884 1.822 ( 0.000 -3.294 -0.178) 3.298 2.107 ( 2.729 -1.899 2.314) 4.051 2.208 ( -2.239 4.287 -0.539) 4.867 2.372 ( 1.527 4.437 -0.261) 4.700 2.463 ( -0.845 2.180 1.335) 2.692 2.552 ( 0.191 4.484 -1.098) 4.620 2.756 ( 1.680 2.729 -0.294) 3.218 2.785 ( 1.125 4.899 -0.121) 5.028 3.366 ( 1.441 -3.904 1.787) 4.529 3.444 ( -0.438 -6.363 -1.398) 6.530 3.519 ( 0.589 -8.005 0.017) 8.027 3.970 ( -0.461 -3.412 -0.184) 3.448 4.370 ( -0.327 -3.033 0.332) 3.068 4.399 ( -0.598 -0.552 -0.249) 0.851 5.052 ( 0.018 1.801 -0.427) 1.851 5.094 ( 0.279 -0.460 -0.644) 0.839 5.186 ( 0.821 1.137 0.697) 1.566 5.217 ( 0.124 2.230 0.552) 2.300 5.247 ( 0.314 0.410 0.000) 0.516 5.286 ( -0.978 0.660 -0.422) 1.253 5.649 ( 0.975 1.558 0.292) 1.862 5.688 ( -0.772 1.855 -0.243) 2.024 5.770 ( 1.080 0.148 0.447) 1.178 5.848 ( 0.719 -0.283 -0.035) 0.773 5.981 ( 0.130 0.627 -0.200) 0.671 6.002 ( -0.694 0.622 -0.307) 0.982 7.733 ( -0.031 0.291 -0.038) 0.295 8.113 ( 0.515 -0.341 0.216) 0.655 8.175 ( 0.256 2.012 -0.000) 2.028======================= Grid point 48 (36/231) =======================q-point: ( 0.69 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.336 ( 1.400 -5.987 0.619) 6.180 1.398 ( -0.956 -5.229 0.993) 5.407 1.438 ( 0.184 -4.683 -1.106) 4.816 1.475 ( -2.422 -6.131 -1.323) 6.724 1.571 ( -0.329 2.182 -0.303) 2.227 1.688 ( -0.017 -3.730 0.003) 3.730 1.821 ( -0.604 -3.271 0.624) 3.385 1.904 ( -0.064 -5.169 -0.150) 5.172 2.041 ( 0.900 8.742 1.353) 8.892 2.193 ( -0.678 -2.877 -0.444) 2.989 2.295 ( 0.390 3.468 -0.206) 3.496 2.423 ( -0.039 2.972 -0.004) 2.972 2.470 ( 0.204 2.052 0.071) 2.063 2.686 ( 1.215 4.417 -0.267) 4.589 2.702 ( -0.478 3.187 0.144) 3.226 3.411 ( 0.152 -0.133 0.240) 0.314 3.525 ( -0.194 -1.876 -0.310) 1.912 3.629 ( 0.258 -3.079 0.163) 3.094 4.028 ( -0.112 -2.224 -0.044) 2.227 4.416 ( -0.217 -0.992 -0.189) 1.033 4.427 ( -0.000 -2.572 0.167) 2.578 5.028 ( 0.023 0.527 -0.040) 0.529 5.100 ( 0.023 -0.299 -0.337) 0.451 5.163 ( 0.275 2.600 0.547) 2.671 5.184 ( -0.124 -0.112 -0.174) 0.242 5.237 ( 0.063 0.965 0.012) 0.967 5.279 ( -0.142 -0.525 -0.064) 0.547 5.629 ( 0.512 0.948 0.129) 1.085 5.664 ( -0.643 0.323 -0.255) 0.763 5.758 ( 0.419 1.592 0.238) 1.663 5.845 ( 0.145 0.969 0.001) 0.980 5.985 ( 0.002 -0.214 0.613) 0.649 5.987 ( -0.093 -0.115 -0.730) 0.744 7.729 ( -0.007 0.045 -0.007) 0.046 8.121 ( 0.176 -0.397 0.039) 0.436 8.137 ( -0.014 2.060 0.006) 2.060======================= Grid point 49 (37/231) =======================q-point: (-0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( -0.000 6.706 -0.000) 6.706 1.442 ( 0.000 -2.300 0.000) 2.300 1.489 ( 0.000 -3.965 0.000) 3.965 1.569 ( 0.000 -4.655 0.000) 4.655 1.606 ( 0.000 -5.824 0.000) 5.824 1.758 ( 0.000 -1.887 0.000) 1.887 1.851 ( -0.000 1.341 -0.000) 1.341 1.880 ( -0.000 6.497 -0.000) 6.497 2.008 ( 0.000 -4.899 0.000) 4.899 2.244 ( 0.000 -2.702 0.000) 2.702 2.262 ( -0.000 0.209 -0.000) 0.209 2.361 ( -0.000 1.682 -0.000) 1.682 2.494 ( 0.000 -3.098 0.000) 3.098 2.648 ( 0.000 -0.319 0.000) 0.319 2.665 ( -0.000 0.347 -0.000) 0.347 3.372 ( -0.000 4.240 -0.000) 4.240 3.506 ( -0.000 3.694 -0.000) 3.694 3.630 ( -0.000 3.106 -0.000) 3.106 4.040 ( -0.000 0.869 -0.000) 0.869 4.419 ( -0.000 0.783 -0.000) 0.783 4.455 ( 0.000 -0.304 0.000) 0.304 5.034 ( 0.000 -1.026 0.000) 1.026 5.107 ( 0.000 -0.498 0.000) 0.498 5.120 ( -0.000 1.730 -0.000) 1.730 5.187 ( -0.000 0.517 -0.000) 0.517 5.232 ( 0.000 -1.164 0.000) 1.164 5.299 ( 0.000 -1.389 0.000) 1.389 5.615 ( -0.000 0.730 -0.000) 0.730 5.669 ( 0.000 -0.973 0.000) 0.973 5.724 ( -0.000 1.646 -0.000) 1.646 5.815 ( -0.000 1.917 -0.000) 1.917 5.977 ( -0.000 0.170 -0.000) 0.170 6.015 ( 0.000 -1.858 0.000) 1.858 7.731 ( 0.000 -0.192 0.000) 0.192 8.100 ( -0.000 1.819 -0.000) 1.819 8.132 ( 0.000 -0.798 0.000) 0.798======================= Grid point 56 (38/231) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.392 ( 5.275 0.000 2.627) 5.893 0.707 ( 13.540 0.000 8.529) 16.002 0.756 ( 0.581 0.000 -5.590) 5.620 0.966 ( 12.416 0.000 6.545) 14.035 1.150 ( -1.148 -0.000 -8.407) 8.485 1.402 ( 4.525 0.000 -1.994) 4.944 1.527 ( 1.334 0.000 -0.136) 1.341 1.545 ( 0.617 0.000 1.702) 1.810 1.603 ( 2.566 0.000 0.815) 2.693 1.804 ( -2.546 -0.000 0.710) 2.643 1.806 ( -0.965 -0.000 -0.984) 1.378 1.906 ( -0.629 -0.000 0.586) 0.859 2.034 ( -3.356 -0.000 -0.247) 3.365 2.495 ( -2.325 -0.000 0.208) 2.334 2.552 ( -2.187 -0.000 -3.113) 3.804 3.149 ( -1.915 -0.000 -1.673) 2.543 3.162 ( -1.592 -0.000 -0.254) 1.612 3.433 ( 1.645 0.000 1.949) 2.550 4.260 ( -1.071 -0.000 4.049) 4.188 4.497 ( -0.658 -0.000 0.070) 0.661 4.686 ( -0.896 -0.000 -1.401) 1.663 4.822 ( -1.213 -0.000 0.168) 1.225 4.887 ( -1.044 -0.000 -0.127) 1.052 4.966 ( -1.239 -0.000 0.243) 1.262 5.104 ( 0.698 0.000 0.182) 0.721 5.230 ( 2.126 0.000 -0.043) 2.126 5.256 ( 1.966 0.000 -0.051) 1.966 5.405 ( 1.640 0.000 4.308) 4.610 5.973 ( -0.406 -0.000 7.217) 7.228 6.071 ( 0.618 0.000 -1.635) 1.748 6.114 ( -2.334 -0.000 -0.456) 2.379 6.209 ( -0.235 -0.000 -0.546) 0.594 6.293 ( -1.782 -0.000 -0.188) 1.792 7.786 ( -0.261 -0.000 -0.257) 0.366 8.117 ( -0.138 -0.000 1.525) 1.531 8.319 ( -1.179 -0.000 -1.656) 2.033======================= Grid point 57 (39/231) =======================q-point: ( 0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.401 ( 6.271 -1.384 4.777) 8.004 0.679 ( 9.306 0.539 5.141) 10.646 0.829 ( -1.024 -1.724 -7.683) 7.941 1.139 ( 2.826 -10.245 2.571) 10.934 1.254 ( 0.251 -9.295 -0.834) 9.335 1.335 ( 2.295 2.625 -1.518) 3.803 1.562 ( 0.537 -3.436 -1.233) 3.690 1.699 ( 2.991 -8.311 2.528) 9.187 1.724 ( -1.000 -7.660 0.404) 7.735 1.819 ( 1.278 -8.716 0.421) 8.819 1.897 ( -1.565 -8.375 -1.591) 8.667 2.029 ( -1.978 -5.451 -0.029) 5.798 2.099 ( 0.951 -14.194 0.101) 14.227 2.482 ( -1.726 0.222 1.067) 2.041 2.530 ( -1.508 0.758 -3.261) 3.672 3.138 ( -1.545 -0.025 -1.503) 2.156 3.148 ( -0.956 0.696 0.069) 1.185 3.418 ( 1.414 2.418 1.585) 3.218 4.191 ( 0.278 5.990 2.305) 6.424 4.468 ( -0.626 2.505 -0.150) 2.587 4.655 ( -0.427 2.591 -0.617) 2.697 4.861 ( -0.936 -3.958 -0.493) 4.097 4.925 ( -0.704 -3.972 -0.190) 4.039 4.996 ( -0.730 -3.386 0.141) 3.467 5.145 ( 0.306 -3.357 0.423) 3.398 5.275 ( 1.501 -1.431 0.523) 2.139 5.309 ( -0.691 -3.662 0.263) 3.736 5.447 ( 0.631 -4.697 1.680) 5.028 5.946 ( -0.178 3.399 5.326) 6.321 6.026 ( 0.960 4.533 -1.229) 4.794 6.071 ( -2.084 3.232 -0.538) 3.883 6.173 ( -0.198 3.497 -0.561) 3.547 6.254 ( -1.407 3.147 -0.123) 3.449 7.779 ( -0.192 0.550 -0.253) 0.635 8.114 ( 0.057 0.453 1.311) 1.388 8.303 ( -0.873 0.965 -1.381) 1.898======================= Grid point 58 (40/231) =======================q-point: ( 0.46 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.563 ( 6.035 -10.774 8.726) 15.121 0.785 ( 5.989 -6.802 2.967) 9.536 0.867 ( -4.793 -5.408 -7.199) 10.200 1.176 ( -10.222 0.009 -9.862) 14.204 1.382 ( 0.411 -7.255 0.865) 7.317 1.512 ( 3.683 -9.786 8.492) 13.470 1.659 ( -2.704 -6.425 -4.262) 8.170 1.724 ( 0.131 -0.372 2.220) 2.255 1.902 ( 1.815 -5.305 0.022) 5.607 1.977 ( -2.735 -8.617 -0.805) 9.076 2.155 ( 2.895 -16.502 0.695) 16.769 2.225 ( 0.420 -13.924 0.762) 13.951 2.415 ( 3.328 -15.130 -0.354) 15.496 2.503 ( -1.162 -4.868 0.698) 5.053 2.514 ( -0.278 0.014 -2.212) 2.230 3.137 ( -0.089 -0.342 0.247) 0.431 3.145 ( -0.830 -1.616 -1.158) 2.154 3.366 ( 1.103 3.588 1.181) 3.935 4.076 ( 0.223 6.264 0.700) 6.307 4.407 ( -0.606 3.449 -0.208) 3.508 4.589 ( -0.048 4.339 0.065) 4.340 4.943 ( -0.383 -4.782 -0.789) 4.862 5.008 ( -0.102 -4.505 -0.231) 4.512 5.074 ( -0.049 -4.813 -0.185) 4.816 5.217 ( 0.403 -3.616 0.637) 3.694 5.301 ( 0.925 0.202 1.869) 2.095 5.325 ( -0.360 0.132 0.241) 0.453 5.574 ( -1.000 -7.154 -0.733) 7.261 5.864 ( -0.211 5.137 2.221) 5.601 5.928 ( 1.071 5.878 -0.003) 5.975 5.982 ( -1.418 5.041 -0.621) 5.273 6.092 ( -0.356 4.268 -0.448) 4.306 6.172 ( -0.682 4.811 0.014) 4.859 7.766 ( -0.105 0.739 -0.197) 0.772 8.107 ( 0.312 0.404 0.933) 1.063 8.276 ( -0.331 1.473 -0.847) 1.731======================= Grid point 59 (41/231) =======================q-point: ( 0.54 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 4.028 -12.614 7.384) 15.162 0.961 ( 3.795 -7.930 4.999) 10.113 0.973 ( -7.165 -9.750 -8.146) 14.586 1.144 ( -9.372 -2.957 -8.670) 13.105 1.495 ( 0.057 -4.680 1.876) 5.043 1.650 ( -0.620 -2.997 2.303) 3.830 1.694 ( -2.367 -1.770 -1.631) 3.375 1.777 ( 0.531 -1.908 1.438) 2.448 1.971 ( 0.514 -3.618 -0.061) 3.654 2.154 ( -0.912 -8.558 0.197) 8.609 2.390 ( 2.013 -6.675 1.011) 7.045 2.470 ( 0.092 -10.249 0.100) 10.250 2.509 ( 0.331 0.078 -0.263) 0.430 2.622 ( 1.586 -9.543 -0.491) 9.686 2.714 ( 1.544 -10.990 -0.132) 11.099 3.174 ( 0.483 -3.879 0.190) 3.914 3.206 ( -0.048 -5.426 -0.508) 5.450 3.314 ( 0.665 1.742 0.458) 1.920 3.972 ( -0.234 4.395 -0.033) 4.402 4.346 ( -0.480 2.322 -0.049) 2.372 4.496 ( -0.077 5.134 0.222) 5.139 5.023 ( 0.025 -3.731 -0.678) 3.792 5.073 ( 0.109 -2.112 -0.295) 2.136 5.162 ( 0.450 -4.175 -0.021) 4.199 5.264 ( 0.852 0.801 0.808) 1.421 5.275 ( -0.482 0.474 0.462) 0.818 5.323 ( -0.093 0.752 0.415) 0.864 5.671 ( 0.401 -3.018 -0.050) 3.045 5.788 ( -0.431 2.380 0.600) 2.492 5.824 ( 0.272 5.254 -0.309) 5.270 5.885 ( -0.117 4.225 -0.396) 4.246 6.028 ( -0.588 2.038 -0.213) 2.132 6.080 ( -0.113 4.486 0.066) 4.488 7.752 ( -0.047 0.677 -0.102) 0.686 8.105 ( 0.427 0.035 0.518) 0.672 8.245 ( 0.076 1.670 -0.340) 1.706======================= Grid point 60 (42/231) =======================q-point: ( 0.62 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( 1.034 -10.970 3.085) 11.443 1.101 ( -4.898 -8.191 -3.261) 10.086 1.147 ( 3.216 -8.578 4.071) 10.025 1.197 ( -5.028 -7.115 -6.028) 10.594 1.568 ( 0.156 -2.832 1.688) 3.301 1.655 ( -1.543 0.325 -1.091) 1.918 1.730 ( -0.491 -1.820 0.279) 1.906 1.790 ( 0.173 -0.303 0.477) 0.591 2.048 ( 0.408 -4.111 0.226) 4.138 2.246 ( -0.433 -1.068 0.195) 1.168 2.443 ( 1.280 1.312 0.138) 1.838 2.495 ( -0.576 1.371 0.952) 1.766 2.586 ( 0.041 -1.756 -0.769) 1.918 2.762 ( 0.892 -3.535 -0.110) 3.648 2.836 ( 0.856 -1.196 -0.062) 1.472 3.288 ( 1.822 -6.650 2.319) 7.274 3.315 ( -1.298 -4.583 -2.214) 5.253 3.358 ( 0.454 -8.004 0.041) 8.017 3.928 ( -0.269 -0.174 -0.126) 0.344 4.329 ( -0.245 -0.818 0.073) 0.857 4.416 ( -0.198 2.857 0.047) 2.865 5.075 ( 0.141 -1.801 -0.349) 1.840 5.082 ( 0.023 0.980 -0.228) 1.007 5.217 ( 0.340 0.789 0.473) 0.980 5.232 ( 0.866 -0.623 0.307) 1.110 5.266 ( -0.673 1.610 -0.331) 1.776 5.299 ( -0.282 1.265 0.154) 1.305 5.685 ( 0.684 1.446 0.432) 1.657 5.737 ( -0.255 3.710 -0.146) 3.722 5.770 ( 0.081 -0.097 -0.103) 0.162 5.846 ( 0.388 0.233 -0.121) 0.468 6.006 ( -0.399 0.399 -0.250) 0.617 6.012 ( 0.000 2.599 0.084) 2.601 7.740 ( -0.019 0.507 -0.033) 0.509 8.110 ( 0.288 -0.240 0.189) 0.420 8.212 ( 0.141 1.840 -0.063) 1.846======================= Grid point 61 (43/231) =======================q-point: ( 0.69 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( 0.000 -6.544 0.000) 6.544 1.260 ( 0.000 -8.810 0.000) 8.810 1.317 ( 0.000 -7.733 0.000) 7.733 1.329 ( 0.000 -8.184 0.000) 8.184 1.600 ( 0.000 -0.135 0.000) 0.135 1.648 ( 0.000 -0.525 0.000) 0.525 1.762 ( 0.000 -2.231 0.000) 2.231 1.821 ( 0.000 -3.194 0.000) 3.194 2.125 ( 0.000 -3.879 0.000) 3.879 2.194 ( -0.000 6.084 -0.000) 6.084 2.379 ( -0.000 4.870 -0.000) 4.870 2.460 ( -0.000 1.924 -0.000) 1.924 2.552 ( -0.000 4.408 -0.000) 4.408 2.764 ( -0.000 2.676 -0.000) 2.676 2.790 ( -0.000 5.178 -0.000) 5.178 3.376 ( 0.000 -3.365 0.000) 3.365 3.440 ( 0.000 -6.710 0.000) 6.710 3.522 ( 0.000 -7.984 0.000) 7.984 3.968 ( 0.000 -3.466 0.000) 3.466 4.369 ( 0.000 -3.104 0.000) 3.104 4.396 ( 0.000 -0.521 0.000) 0.521 5.052 ( -0.000 1.788 -0.000) 1.788 5.094 ( 0.000 -0.429 0.000) 0.429 5.191 ( -0.000 0.994 -0.000) 0.994 5.218 ( -0.000 2.827 -0.000) 2.827 5.250 ( -0.000 0.038 -0.000) 0.038 5.280 ( -0.000 0.637 -0.000) 0.637 5.654 ( -0.000 1.591 -0.000) 1.591 5.683 ( -0.000 1.954 -0.000) 1.954 5.776 ( -0.000 0.081 -0.000) 0.081 5.851 ( 0.000 -0.233 0.000) 0.233 5.982 ( -0.000 0.641 -0.000) 0.641 5.998 ( -0.000 0.534 -0.000) 0.534 7.733 ( -0.000 0.287 -0.000) 0.287 8.116 ( 0.000 -0.298 0.000) 0.298 8.176 ( -0.000 2.043 -0.000) 2.043======================= Grid point 71 (44/231) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.429 ( 2.186 0.000 0.808) 2.331 0.727 ( -1.674 -0.000 -6.569) 6.779 0.833 ( 10.222 0.000 7.879) 12.906 1.113 ( 13.374 0.000 11.992) 17.963 1.116 ( -2.241 -0.000 -8.054) 8.360 1.409 ( -0.558 -0.000 -7.963) 7.983 1.546 ( -0.541 -0.000 0.689) 0.876 1.548 ( 2.756 0.000 1.634) 3.204 1.634 ( 3.353 0.000 1.273) 3.586 1.786 ( -1.752 -0.000 0.644) 1.867 1.792 ( -1.402 -0.000 -1.043) 1.748 1.902 ( -0.419 -0.000 0.468) 0.628 2.003 ( -3.069 -0.000 -0.600) 3.127 2.480 ( -1.343 -0.000 1.020) 1.686 2.526 ( -2.084 -0.000 -2.878) 3.553 3.128 ( -1.594 -0.000 -1.642) 2.289 3.153 ( -0.796 -0.000 0.459) 0.919 3.449 ( 1.079 0.000 1.122) 1.557 4.260 ( -0.589 -0.000 2.319) 2.393 4.492 ( -0.479 -0.000 0.049) 0.481 4.677 ( -0.559 -0.000 -0.966) 1.116 4.813 ( -0.803 -0.000 0.117) 0.811 4.879 ( -0.700 -0.000 -0.091) 0.706 4.957 ( -0.786 -0.000 0.183) 0.807 5.110 ( 0.475 0.000 0.102) 0.486 5.247 ( 1.426 0.000 -0.011) 1.426 5.271 ( 1.306 0.000 -0.036) 1.307 5.426 ( 1.048 0.000 2.915) 3.098 5.985 ( 0.085 0.000 4.694) 4.694 6.071 ( 0.003 0.000 -1.592) 1.592 6.095 ( -1.451 -0.000 -0.157) 1.459 6.207 ( -0.017 -0.000 -0.370) 0.370 6.278 ( -1.381 -0.000 -0.157) 1.390 7.784 ( -0.189 -0.000 -0.183) 0.263 8.119 ( -0.037 -0.000 1.138) 1.139 8.307 ( -0.870 -0.000 -1.265) 1.535======================= Grid point 72 (45/231) =======================q-point: ( 0.46 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.459 ( 4.167 -3.920 4.518) 7.290 0.696 ( -2.260 -0.975 -5.867) 6.362 0.886 ( 11.113 2.213 6.969) 13.302 1.106 ( -6.832 -1.951 -7.494) 10.326 1.285 ( 3.080 -6.543 6.735) 9.882 1.349 ( 1.558 -4.054 -2.972) 5.262 1.558 ( -0.344 -1.715 -1.751) 2.475 1.712 ( -0.698 -2.837 1.090) 3.119 1.732 ( 2.018 -11.358 0.962) 11.576 1.836 ( 1.937 -10.792 0.888) 11.001 1.879 ( -1.568 -7.657 -1.472) 7.953 2.013 ( -1.456 -6.521 -0.084) 6.682 2.107 ( 0.668 -15.773 -0.141) 15.787 2.473 ( -0.910 0.172 1.171) 1.493 2.511 ( -1.087 0.185 -2.300) 2.551 3.123 ( -0.951 -0.352 -1.011) 1.432 3.143 ( -0.433 0.637 0.271) 0.816 3.430 ( 0.757 2.394 0.779) 2.629 4.196 ( 0.090 5.788 1.160) 5.904 4.464 ( -0.360 2.568 -0.070) 2.594 4.651 ( -0.231 2.344 -0.359) 2.383 4.853 ( -0.499 -4.015 -0.228) 4.052 4.920 ( -0.395 -4.123 -0.097) 4.143 4.991 ( -0.377 -3.569 0.097) 3.590 5.148 ( 0.131 -3.410 0.205) 3.419 5.287 ( 1.002 -1.387 0.469) 1.774 5.305 ( -0.304 -3.197 -0.140) 3.214 5.455 ( 0.463 -3.463 1.156) 3.680 5.955 ( 0.023 3.652 2.835) 4.623 6.032 ( 0.947 3.963 -0.884) 4.169 6.053 ( -1.683 3.379 -0.194) 3.780 6.171 ( -0.023 3.583 -0.318) 3.597 6.243 ( -0.858 2.955 -0.080) 3.078 7.777 ( -0.109 0.527 -0.138) 0.556 8.117 ( 0.054 0.376 0.776) 0.864 8.294 ( -0.510 0.801 -0.827) 1.259======================= Grid point 73 (46/231) =======================q-point: ( 0.54 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.639 ( 5.598 -10.815 7.913) 14.524 0.757 ( -5.258 -7.664 -8.463) 12.570 0.908 ( 8.133 -0.526 7.094) 10.805 1.061 ( -9.354 -0.229 -8.368) 12.553 1.387 ( 0.238 -6.610 0.306) 6.621 1.563 ( 3.475 -8.175 7.213) 11.442 1.616 ( -3.527 -5.334 -5.886) 8.692 1.732 ( 0.332 -1.549 0.973) 1.859 1.918 ( 1.522 -3.269 0.234) 3.613 1.954 ( -1.887 -10.374 -0.522) 10.557 2.176 ( 1.266 -16.880 0.318) 16.931 2.227 ( -0.005 -14.213 0.272) 14.216 2.439 ( 1.829 -16.651 -0.303) 16.754 2.493 ( -1.058 -4.059 0.370) 4.210 2.509 ( -0.103 -0.409 -0.791) 0.896 3.137 ( -0.044 -0.492 0.098) 0.503 3.138 ( -0.291 -1.920 -0.416) 1.986 3.374 ( 0.387 3.611 0.402) 3.654 4.078 ( 0.070 6.470 0.242) 6.474 4.403 ( -0.220 3.479 -0.070) 3.486 4.588 ( -0.019 4.249 0.015) 4.249 4.939 ( -0.127 -4.882 -0.264) 4.891 5.007 ( -0.041 -4.651 -0.081) 4.652 5.074 ( -0.006 -4.971 -0.055) 4.972 5.220 ( 0.115 -3.678 0.206) 3.685 5.312 ( 0.721 0.604 1.315) 1.617 5.321 ( -0.507 -0.289 -0.582) 0.824 5.567 ( -0.285 -7.018 -0.195) 7.027 5.866 ( -0.062 5.340 0.759) 5.394 5.936 ( 0.635 6.115 0.034) 6.148 5.971 ( -0.771 4.588 -0.257) 4.660 6.089 ( -0.099 4.389 -0.166) 4.394 6.167 ( -0.257 4.608 0.003) 4.615 7.765 ( -0.036 0.721 -0.068) 0.725 8.110 ( 0.115 0.325 0.345) 0.488 8.272 ( -0.123 1.292 -0.317) 1.336======================= Grid point 74 (47/231) =======================q-point: ( 0.62 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( 0.000 -11.731 0.000) 11.731 0.893 ( 0.000 -9.280 0.000) 9.280 1.007 ( 0.000 -7.140 0.000) 7.140 1.071 ( 0.000 -3.827 0.000) 3.827 1.497 ( 0.000 -4.842 0.000) 4.842 1.651 ( 0.000 -0.578 0.000) 0.578 1.680 ( 0.000 -3.649 0.000) 3.649 1.782 ( 0.000 -1.714 0.000) 1.714 1.973 ( 0.000 -3.575 0.000) 3.575 2.150 ( 0.000 -8.766 0.000) 8.766 2.401 ( 0.000 -6.445 0.000) 6.445 2.469 ( 0.000 -10.259 0.000) 10.259 2.510 ( -0.000 0.116 -0.000) 0.116 2.629 ( 0.000 -9.688 0.000) 9.688 2.721 ( 0.000 -11.195 0.000) 11.195 3.176 ( 0.000 -4.167 0.000) 4.167 3.205 ( 0.000 -5.482 0.000) 5.482 3.318 ( -0.000 1.836 -0.000) 1.836 3.971 ( -0.000 4.516 -0.000) 4.516 4.344 ( -0.000 2.322 -0.000) 2.322 4.496 ( -0.000 5.181 -0.000) 5.181 5.023 ( 0.000 -3.795 0.000) 3.795 5.073 ( 0.000 -2.105 0.000) 2.105 5.164 ( 0.000 -4.355 0.000) 4.355 5.269 ( 0.000 -1.233 0.000) 1.233 5.272 ( -0.000 2.722 -0.000) 2.722 5.323 ( -0.000 0.785 -0.000) 0.785 5.673 ( 0.000 -3.555 0.000) 3.555 5.787 ( -0.000 2.552 -0.000) 2.552 5.825 ( -0.000 5.519 -0.000) 5.519 5.884 ( -0.000 3.899 -0.000) 3.899 6.025 ( -0.000 2.142 -0.000) 2.142 6.079 ( -0.000 4.408 -0.000) 4.408 7.751 ( -0.000 0.671 -0.000) 0.671 8.108 ( 0.000 -0.002 0.000) 0.002 8.245 ( -0.000 1.586 -0.000) 1.586======================= Grid point 86 (48/231) =======================q-point: ( 0.46 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.440 ( 0.376 0.000 -0.072) 0.383 0.708 ( -0.457 -0.000 -2.244) 2.290 0.919 ( 4.838 0.000 4.635) 6.700 1.078 ( -2.067 -0.000 -4.734) 5.166 1.241 ( 8.501 0.000 10.381) 13.418 1.364 ( -4.142 -0.000 -9.204) 10.093 1.543 ( -0.307 -0.000 0.192) 0.362 1.573 ( 1.469 0.000 0.925) 1.736 1.661 ( 1.632 0.000 0.645) 1.755 1.776 ( -0.597 -0.000 0.267) 0.654 1.779 ( -0.863 -0.000 -0.535) 1.015 1.900 ( -0.141 -0.000 0.178) 0.227 1.981 ( -1.359 -0.000 -0.352) 1.404 2.476 ( -0.243 -0.000 0.992) 1.021 2.505 ( -1.037 -0.000 -1.609) 1.915 3.116 ( -0.553 -0.000 -0.570) 0.795 3.149 ( -0.294 -0.000 0.172) 0.340 3.457 ( 0.377 0.000 0.364) 0.524 4.260 ( -0.187 -0.000 0.761) 0.784 4.489 ( -0.176 -0.000 0.018) 0.176 4.672 ( -0.189 -0.000 -0.340) 0.389 4.808 ( -0.280 -0.000 0.042) 0.283 4.875 ( -0.244 -0.000 -0.033) 0.247 4.953 ( -0.269 -0.000 0.067) 0.277 5.113 ( 0.168 0.000 0.033) 0.171 5.255 ( 0.500 0.000 -0.001) 0.500 5.279 ( 0.457 0.000 -0.013) 0.457 5.436 ( 0.354 0.000 1.025) 1.085 5.994 ( 0.133 0.000 1.758) 1.763 6.065 ( -0.325 -0.000 -0.805) 0.868 6.088 ( -0.277 -0.000 0.014) 0.277 6.207 ( 0.035 0.000 -0.131) 0.135 6.269 ( -0.536 -0.000 -0.062) 0.540 7.782 ( -0.069 -0.000 -0.066) 0.096 8.121 ( -0.000 -0.000 0.429) 0.429 8.299 ( -0.322 -0.000 -0.479) 0.578======================= Grid point 87 (49/231) =======================q-point: ( 0.54 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.486 ( 0.000 -5.898 0.000) 5.898 0.673 ( -0.000 0.431 -0.000) 0.431 0.997 ( 0.000 -4.058 0.000) 4.058 1.016 ( -0.000 6.741 -0.000) 6.741 1.311 ( -0.000 0.387 -0.000) 0.387 1.350 ( 0.000 -12.153 0.000) 12.153 1.554 ( 0.000 -0.298 0.000) 0.298 1.710 ( 0.000 -3.171 0.000) 3.171 1.743 ( 0.000 -10.593 0.000) 10.593 1.850 ( 0.000 -13.254 0.000) 13.254 1.866 ( 0.000 -5.488 0.000) 5.488 2.006 ( 0.000 -7.101 0.000) 7.101 2.110 ( 0.000 -16.330 0.000) 16.330 2.470 ( -0.000 0.297 -0.000) 0.297 2.503 ( 0.000 -0.139 0.000) 0.139 3.117 ( 0.000 -0.431 0.000) 0.431 3.141 ( -0.000 0.584 -0.000) 0.584 3.435 ( -0.000 2.385 -0.000) 2.385 4.198 ( -0.000 5.719 -0.000) 5.719 4.462 ( -0.000 2.589 -0.000) 2.589 4.650 ( -0.000 2.262 -0.000) 2.262 4.851 ( 0.000 -4.036 0.000) 4.036 4.918 ( 0.000 -4.172 0.000) 4.172 4.989 ( 0.000 -3.635 0.000) 3.635 5.149 ( 0.000 -3.409 0.000) 3.409 5.293 ( 0.000 -1.266 0.000) 1.266 5.303 ( 0.000 -3.093 0.000) 3.093 5.459 ( 0.000 -3.132 0.000) 3.132 5.959 ( -0.000 3.787 -0.000) 3.787 6.038 ( -0.000 2.695 -0.000) 2.695 6.043 ( -0.000 4.456 -0.000) 4.456 6.170 ( -0.000 3.617 -0.000) 3.617 6.239 ( -0.000 2.878 -0.000) 2.878 7.777 ( -0.000 0.518 -0.000) 0.518 8.118 ( -0.000 0.352 -0.000) 0.352 8.291 ( -0.000 0.739 -0.000) 0.739======================= Grid point 175 (50/231) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.190 ( 3.020 0.000 7.366) 7.961 0.283 ( 9.041 0.000 13.906) 16.586 0.601 ( 4.077 0.000 28.349) 28.641 0.907 ( -7.637 -0.000 -13.031) 15.104 1.113 ( -3.741 -0.000 -7.703) 8.563 1.288 ( -0.616 -0.000 0.609) 0.866 1.501 ( 0.947 0.000 2.292) 2.480 1.526 ( 2.032 0.000 6.502) 6.812 1.593 ( -0.032 -0.000 0.304) 0.306 1.813 ( -0.114 -0.000 -0.537) 0.549 1.900 ( -1.464 -0.000 1.323) 1.973 1.922 ( 0.206 0.000 0.302) 0.365 2.066 ( 1.198 0.000 -3.478) 3.678 2.570 ( -2.877 -0.000 -3.129) 4.251 2.584 ( 0.703 0.000 0.025) 0.703 3.167 ( 0.597 0.000 -0.548) 0.811 3.215 ( -1.744 -0.000 -4.397) 4.730 3.391 ( 2.212 0.000 3.280) 3.956 4.281 ( 7.304 0.000 0.886) 7.358 4.521 ( 0.521 0.000 0.780) 0.938 4.761 ( -2.302 -0.000 -4.637) 5.177 4.861 ( 0.136 0.000 0.130) 0.189 4.917 ( -0.066 -0.000 -0.032) 0.073 5.014 ( -0.156 -0.000 0.101) 0.186 5.079 ( 0.681 0.000 0.192) 0.708 5.168 ( -0.359 -0.000 -0.141) 0.386 5.193 ( 0.025 0.000 -0.009) 0.026 5.374 ( 3.157 0.000 4.190) 5.246 5.925 ( 8.874 0.000 -0.157) 8.876 6.132 ( -0.658 -0.000 -1.449) 1.592 6.171 ( 2.358 0.000 0.398) 2.391 6.223 ( -0.534 -0.000 -0.730) 0.904 6.353 ( 0.281 0.000 -0.245) 0.373 7.789 ( -0.101 -0.000 -0.504) 0.514 8.128 ( 1.298 0.000 0.839) 1.545 8.344 ( -0.954 -0.000 -1.453) 1.738======================= Grid point 176 (51/231) =======================q-point: ( 0.08 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.296 ( -4.435 -15.064 2.944) 15.977 0.553 ( 2.467 -10.039 15.920) 18.981 0.862 ( 10.743 -20.606 13.401) 26.825 0.893 ( -6.106 -6.224 -10.565) 13.698 1.235 ( -3.201 -11.557 -7.456) 14.121 1.295 ( -1.021 -2.877 1.059) 3.231 1.547 ( 2.239 -2.742 5.838) 6.827 1.619 ( 2.388 -8.784 3.476) 9.744 1.727 ( 0.285 -12.513 0.161) 12.518 1.868 ( -2.278 -0.415 0.034) 2.316 1.915 ( -0.714 -9.132 -1.393) 9.265 2.048 ( 0.255 -5.583 -2.355) 6.065 2.072 ( 1.150 -6.539 -1.258) 6.758 2.546 ( -3.019 0.384 -1.881) 3.578 2.555 ( 0.552 3.212 -0.218) 3.267 3.154 ( 0.415 1.424 -0.528) 1.575 3.188 ( -1.744 1.292 -3.824) 4.397 3.376 ( 1.822 2.697 2.671) 4.210 4.192 ( 2.649 7.385 3.679) 8.665 4.490 ( -0.183 2.589 0.211) 2.604 4.669 ( -0.559 4.108 -0.895) 4.241 4.894 ( -1.045 -3.091 -0.751) 3.348 4.944 ( -0.051 -2.701 0.045) 2.702 5.035 ( -0.854 -2.106 -0.024) 2.273 5.120 ( 1.262 -3.227 0.795) 3.555 5.224 ( 0.442 -2.922 0.150) 2.959 5.369 ( 1.307 0.471 1.872) 2.332 5.445 ( -2.381 -13.818 -9.107) 16.720 5.909 ( 5.671 4.785 -1.283) 7.531 6.079 ( -1.112 4.683 0.804) 4.880 6.120 ( 0.459 5.106 0.493) 5.151 6.189 ( -0.721 3.001 -0.822) 3.194 6.305 ( -0.589 4.308 0.238) 4.354 7.781 ( -0.159 0.603 -0.509) 0.805 8.121 ( 0.836 1.107 1.205) 1.837 8.323 ( -0.968 1.526 -1.484) 2.338======================= Grid point 177 (52/231) =======================q-point: ( 0.15 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.598 ( -0.797 -16.012 8.309) 18.058 0.788 ( -3.493 -14.603 8.362) 17.186 1.005 ( -4.955 -10.035 -7.736) 13.605 1.313 ( -1.783 -10.333 -6.047) 12.104 1.382 ( 2.746 -16.611 2.540) 17.027 1.456 ( 1.837 -9.084 7.894) 12.174 1.661 ( 1.273 -7.139 2.106) 7.551 1.787 ( 0.453 -5.465 2.607) 6.072 1.877 ( -2.295 -3.815 -1.804) 4.804 2.020 ( -0.342 -12.740 -0.818) 12.770 2.052 ( 1.636 -9.550 -2.574) 10.025 2.188 ( 1.149 -12.270 0.078) 12.324 2.317 ( 1.113 -13.675 -0.938) 13.752 2.489 ( 0.974 2.999 -0.965) 3.298 2.535 ( -1.944 -0.687 0.276) 2.080 3.126 ( 0.665 1.410 -0.753) 1.732 3.159 ( -1.133 0.147 -3.227) 3.423 3.322 ( 1.607 3.829 1.665) 4.474 4.080 ( 0.488 5.662 1.883) 5.987 4.433 ( -0.472 3.177 -0.093) 3.214 4.591 ( 0.114 4.380 0.009) 4.382 4.952 ( -1.000 -3.480 -1.474) 3.910 5.005 ( 0.090 -3.415 -0.101) 3.418 5.081 ( -0.545 -3.057 -0.402) 3.131 5.199 ( 1.113 -3.848 1.500) 4.277 5.283 ( 0.686 -2.147 1.126) 2.520 5.346 ( 0.937 1.752 1.914) 2.759 5.605 ( -2.210 -5.898 -5.276) 8.216 5.820 ( 2.916 5.719 -2.148) 6.770 5.968 ( -0.812 6.481 1.794) 6.774 6.005 ( -0.196 6.937 -1.018) 7.014 6.118 ( -0.883 3.527 -0.810) 3.725 6.202 ( -0.517 6.030 0.200) 6.056 7.766 ( -0.169 0.792 -0.491) 0.947 8.102 ( 0.729 1.254 1.187) 1.874 8.280 ( -0.619 2.365 -1.220) 2.732======================= Grid point 178 (53/231) =======================q-point: ( 0.23 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.888 ( 1.202 -13.474 12.103) 18.152 1.063 ( -6.766 -15.565 1.056) 17.005 1.175 ( -6.050 -10.918 -4.224) 13.178 1.396 ( -6.930 -4.714 -8.514) 11.947 1.548 ( 0.816 -4.141 6.868) 8.061 1.739 ( -2.376 -4.286 -2.271) 5.401 1.747 ( 2.732 -7.760 6.749) 10.641 1.878 ( -4.623 -3.832 -0.519) 6.027 1.924 ( 0.864 -4.122 -0.816) 4.290 2.205 ( -0.085 -6.847 0.435) 6.861 2.269 ( 2.816 -8.452 0.219) 8.912 2.420 ( 2.026 -10.470 0.299) 10.669 2.494 ( 1.369 -2.726 -0.777) 3.148 2.518 ( 0.958 -5.839 -1.163) 6.030 2.595 ( 2.649 -6.993 1.132) 7.563 3.126 ( 1.287 -1.765 -1.458) 2.626 3.184 ( 0.227 -3.752 -2.223) 4.367 3.271 ( 1.294 1.635 0.349) 2.114 3.992 ( -0.436 3.577 0.490) 3.636 4.378 ( -0.690 1.961 0.191) 2.088 4.507 ( -0.065 4.301 0.429) 4.323 5.005 ( -0.259 -2.474 -1.702) 3.014 5.057 ( 0.145 -1.689 -0.584) 1.793 5.137 ( 0.330 -2.849 -0.322) 2.886 5.248 ( 1.154 0.624 2.526) 2.846 5.291 ( 0.108 -0.046 0.271) 0.296 5.343 ( -0.041 -0.256 1.228) 1.255 5.648 ( 0.070 0.391 -0.529) 0.662 5.754 ( 1.386 1.071 -3.065) 3.530 5.845 ( -0.838 6.040 0.088) 6.098 5.870 ( 0.242 6.890 -1.155) 6.991 6.062 ( -0.871 1.788 -1.057) 2.252 6.089 ( -0.262 5.408 0.169) 5.417 7.751 ( -0.102 0.688 -0.396) 0.801 8.087 ( 0.854 0.833 0.933) 1.514 8.231 ( 0.010 2.407 -0.783) 2.531======================= Grid point 179 (54/231) =======================q-point: ( 0.31 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( 1.090 -10.884 10.471) 15.142 1.288 ( -7.177 -11.282 -1.254) 13.430 1.337 ( -6.758 -9.490 -1.692) 11.773 1.411 ( -8.076 -1.542 -6.081) 10.226 1.622 ( 0.796 -2.760 6.590) 7.189 1.764 ( -3.032 -1.434 -1.436) 3.648 1.819 ( -1.088 -0.647 3.365) 3.595 1.872 ( -5.155 0.930 0.477) 5.260 2.017 ( -0.118 -3.930 -1.340) 4.154 2.280 ( 0.417 -1.553 0.581) 1.709 2.367 ( 1.390 0.053 1.318) 1.916 2.510 ( 1.212 -0.131 1.462) 1.903 2.564 ( 1.510 -2.074 0.310) 2.584 2.628 ( 3.077 -3.596 -2.557) 5.380 2.707 ( 4.331 -1.588 -0.360) 4.627 3.209 ( 2.828 -5.698 0.839) 6.416 3.280 ( 2.013 -5.312 -1.645) 5.914 3.322 ( -0.111 -7.598 -2.115) 7.887 3.957 ( -0.858 -0.372 -0.006) 0.935 4.365 ( -0.907 -0.941 0.614) 1.444 4.443 ( -0.772 2.055 0.285) 2.214 5.038 ( 0.575 -1.173 -1.633) 2.091 5.062 ( 0.241 1.041 -1.221) 1.623 5.184 ( 0.960 -1.564 0.269) 1.855 5.214 ( 0.770 2.290 2.315) 3.346 5.288 ( -0.433 1.156 -0.620) 1.381 5.336 ( -0.683 0.780 0.879) 1.359 5.634 ( 1.727 0.790 0.821) 2.069 5.743 ( 0.018 3.204 -2.352) 3.974 5.752 ( -0.833 2.889 -0.891) 3.136 5.778 ( 2.391 1.032 -0.814) 2.728 6.008 ( 0.095 3.062 0.089) 3.065 6.036 ( -0.911 0.749 -1.353) 1.794 7.739 ( -0.044 0.479 -0.272) 0.553 8.083 ( 1.018 0.103 0.563) 1.168 8.190 ( 0.538 1.996 -0.401) 2.106======================= Grid point 180 (55/231) =======================q-point: ( 0.38 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.324 ( -0.301 -7.754 5.203) 9.343 1.370 ( -6.642 0.240 -1.358) 6.784 1.410 ( -3.669 -4.671 0.515) 5.962 1.483 ( -6.225 -8.142 -1.457) 10.352 1.667 ( -0.577 -0.288 6.043) 6.077 1.731 ( -4.339 1.882 -1.892) 5.094 1.835 ( -1.802 -2.815 1.501) 3.663 1.874 ( -2.832 -2.136 1.853) 4.002 2.066 ( 1.144 -1.477 0.736) 2.009 2.264 ( -0.780 3.104 0.420) 3.228 2.311 ( 0.628 4.771 -0.551) 4.843 2.496 ( 1.711 2.497 2.264) 3.780 2.538 ( -0.825 3.952 -0.894) 4.135 2.653 ( 3.454 1.882 -1.999) 4.412 2.700 ( 3.861 2.930 -1.501) 5.074 3.334 ( 2.605 -5.176 1.802) 6.068 3.409 ( 1.138 -7.041 -2.185) 7.460 3.483 ( 0.845 -8.265 -1.697) 8.480 3.991 ( -0.762 -3.026 0.103) 3.122 4.399 ( -0.926 -2.669 0.858) 2.952 4.425 ( -1.231 -0.291 -0.050) 1.266 5.031 ( 0.481 1.617 -1.220) 2.081 5.058 ( 0.809 -0.845 -1.496) 1.899 5.176 ( 0.821 1.489 1.487) 2.259 5.216 ( 0.675 -0.370 1.204) 1.429 5.248 ( -0.554 2.198 -0.971) 2.466 5.314 ( -0.921 1.175 0.224) 1.509 5.624 ( 0.910 1.039 0.512) 1.473 5.697 ( -0.094 1.789 -1.016) 2.059 5.713 ( 1.766 0.393 -1.302) 2.229 5.798 ( 1.693 -1.073 -1.040) 2.258 5.974 ( 0.253 0.712 -0.020) 0.756 6.015 ( -0.714 1.029 -1.113) 1.675 7.732 ( -0.018 0.272 -0.169) 0.320 8.092 ( 0.948 -0.530 0.196) 1.103 8.159 ( 0.605 1.594 -0.216) 1.719======================= Grid point 181 (56/231) =======================q-point: ( 0.46 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( -1.965 -0.852 1.281) 2.496 1.442 ( -0.586 -3.518 0.796) 3.654 1.457 ( -1.138 -2.146 1.762) 3.001 1.565 ( -3.382 -2.633 -1.205) 4.452 1.628 ( -2.122 2.614 3.842) 5.109 1.722 ( -1.451 -1.926 1.671) 2.934 1.878 ( -1.580 0.525 0.973) 1.928 1.912 ( -0.447 -4.155 0.405) 4.199 2.055 ( 0.794 5.341 4.312) 6.910 2.210 ( -1.264 -0.665 -1.386) 1.990 2.245 ( 1.367 2.005 -1.531) 2.869 2.441 ( -1.135 4.717 0.232) 4.857 2.465 ( 1.055 1.034 1.337) 1.992 2.617 ( 1.663 1.710 -1.713) 2.937 2.672 ( 1.867 0.764 -1.966) 2.817 3.405 ( 0.668 -1.134 0.305) 1.351 3.510 ( 0.344 -2.950 -1.602) 3.374 3.604 ( 1.088 -3.765 -0.805) 4.000 4.038 ( -0.381 -1.642 0.239) 1.703 4.427 ( -0.836 -0.119 -0.233) 0.876 4.442 ( -0.347 -1.663 0.929) 1.936 5.014 ( 0.395 0.034 -0.857) 0.944 5.080 ( 0.530 -1.346 -1.004) 1.761 5.161 ( 0.762 1.063 1.246) 1.806 5.189 ( -0.684 1.802 -0.805) 2.089 5.234 ( 0.231 0.110 0.171) 0.308 5.293 ( -0.514 0.313 0.454) 0.754 5.614 ( 0.343 0.283 0.312) 0.543 5.677 ( -0.389 0.280 -1.050) 1.154 5.717 ( 1.647 0.411 -1.327) 2.155 5.817 ( 0.810 -0.270 -1.326) 1.577 5.978 ( 0.280 -0.762 -0.223) 0.841 5.993 ( -0.305 0.727 -0.241) 0.824 7.729 ( 0.005 0.059 -0.103) 0.119 8.109 ( 0.496 -0.817 -0.083) 0.959 8.134 ( 0.196 1.317 -0.177) 1.343======================= Grid point 182 (57/231) =======================q-point: (-0.46 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.369 ( 1.633 2.253 -0.085) 2.784 1.428 ( 1.722 1.662 3.627) 4.346 1.501 ( 0.226 -2.087 1.586) 2.631 1.570 ( 0.080 0.108 1.939) 1.943 1.632 ( -0.747 -3.269 0.397) 3.376 1.748 ( 0.078 0.365 -0.092) 0.384 1.824 ( 4.007 5.549 2.908) 7.436 1.907 ( -0.826 6.368 1.196) 6.532 2.003 ( 0.111 -2.734 0.357) 2.759 2.220 ( 1.213 -0.664 0.321) 1.419 2.273 ( -1.080 -3.003 -0.737) 3.275 2.378 ( -0.713 0.741 -0.568) 1.175 2.496 ( -0.060 -3.804 0.865) 3.901 2.623 ( -1.153 -2.297 -1.553) 3.003 2.689 ( -0.474 -2.431 -1.260) 2.779 3.380 ( -0.635 3.666 -0.399) 3.742 3.509 ( -0.708 2.840 -1.398) 3.243 3.619 ( 0.375 2.494 -0.554) 2.582 4.040 ( 0.091 1.323 0.293) 1.358 4.413 ( 0.283 1.448 0.041) 1.476 4.454 ( 0.423 0.491 0.607) 0.888 5.029 ( -0.096 -1.407 -0.803) 1.623 5.109 ( 0.015 -1.554 0.139) 1.560 5.127 ( -0.669 1.755 -0.754) 2.024 5.183 ( 0.444 -0.341 0.281) 0.626 5.231 ( -0.149 -0.335 0.022) 0.367 5.303 ( 0.132 -1.033 0.501) 1.156 5.615 ( -0.141 -0.088 0.344) 0.382 5.675 ( -0.404 -0.418 -1.020) 1.174 5.706 ( 0.204 0.690 -1.564) 1.721 5.811 ( -0.309 0.671 -1.407) 1.589 5.981 ( -0.517 -0.070 -0.494) 0.719 6.006 ( 0.728 -1.412 0.302) 1.617 7.730 ( 0.036 -0.164 -0.082) 0.187 8.104 ( -0.408 1.244 -0.183) 1.322 8.133 ( -0.089 -1.167 -0.195) 1.187======================= Grid point 183 (58/231) =======================q-point: (-0.38 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.226 ( 0.939 10.568 2.142) 10.824 1.449 ( 2.948 1.120 3.951) 5.055 1.553 ( 4.377 -0.985 0.227) 4.492 1.571 ( 0.158 -0.093 0.599) 0.627 1.657 ( 3.192 8.806 -1.446) 9.477 1.715 ( 1.598 -2.680 0.115) 3.122 1.729 ( 4.146 4.515 5.696) 8.368 1.845 ( 1.180 0.119 0.425) 1.260 2.042 ( 1.449 -0.534 -0.527) 1.632 2.250 ( 1.209 -1.026 0.913) 1.830 2.311 ( -0.923 -2.018 -0.349) 2.247 2.402 ( -0.839 -2.628 -0.924) 2.909 2.572 ( -1.839 -3.373 0.100) 3.843 2.669 ( -2.980 -2.962 -1.571) 4.486 2.738 ( -2.385 -2.539 -0.288) 3.495 3.276 ( -1.049 6.238 -0.435) 6.341 3.407 ( -1.432 6.634 -1.384) 6.927 3.519 ( -0.457 7.632 -0.788) 7.686 4.000 ( 0.413 2.614 0.302) 2.663 4.380 ( 0.988 2.141 0.332) 2.381 4.437 ( 0.876 1.203 0.297) 1.518 5.057 ( -0.620 -1.724 -1.186) 2.183 5.102 ( -1.046 0.266 -1.644) 1.966 5.136 ( -0.341 -1.056 1.322) 1.726 5.186 ( -0.063 -0.033 1.231) 1.233 5.256 ( 0.510 -1.923 -0.558) 2.067 5.321 ( 0.314 -0.503 0.322) 0.675 5.613 ( -0.806 0.080 0.119) 0.819 5.687 ( 0.371 -0.980 -0.942) 1.409 5.710 ( -0.602 -1.843 -1.438) 2.414 5.796 ( -1.112 0.224 -1.021) 1.527 5.984 ( -0.474 -0.616 -0.161) 0.794 6.035 ( 0.754 -1.133 -0.401) 1.419 7.735 ( 0.048 -0.384 -0.109) 0.402 8.079 ( -0.711 1.015 -0.086) 1.242 8.159 ( -0.500 -1.776 -0.217) 1.858======================= Grid point 184 (59/231) =======================q-point: (-0.31 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( 1.615 12.817 5.000) 13.852 1.401 ( 0.600 5.601 2.179) 6.040 1.451 ( 3.351 12.213 -2.943) 13.002 1.519 ( 4.356 5.920 3.280) 8.049 1.596 ( 3.442 0.903 1.972) 4.068 1.642 ( 0.248 3.443 -1.057) 3.610 1.838 ( 5.100 -4.244 2.106) 6.961 1.870 ( 2.907 -1.161 1.374) 3.418 2.017 ( 0.853 4.261 -1.278) 4.530 2.242 ( 0.408 2.674 0.471) 2.745 2.335 ( -0.869 -0.127 -0.098) 0.884 2.431 ( -0.130 0.056 -0.268) 0.303 2.577 ( -2.771 1.515 0.604) 3.216 2.666 ( -3.012 2.726 -1.247) 4.249 2.720 ( -3.977 3.504 -0.263) 5.307 3.169 ( -0.702 3.875 -0.609) 3.985 3.279 ( -1.239 5.147 -1.553) 5.517 3.352 ( -0.714 8.827 -1.017) 8.914 3.968 ( 0.352 0.505 0.237) 0.659 4.358 ( 0.906 0.338 0.420) 1.054 4.438 ( 0.817 -1.275 0.216) 1.529 5.069 ( -1.047 0.268 -1.255) 1.656 5.103 ( -1.601 -0.719 -2.631) 3.163 5.147 ( 1.013 -0.139 3.047) 3.214 5.189 ( -0.851 0.063 0.560) 1.021 5.289 ( 0.560 -0.863 -0.853) 1.337 5.323 ( 0.642 0.349 0.947) 1.197 5.615 ( -0.810 -1.115 0.081) 1.381 5.717 ( 1.057 -1.718 -1.429) 2.472 5.769 ( -0.223 -4.707 -1.309) 4.890 5.799 ( -1.346 -1.618 -0.645) 2.201 6.009 ( -0.211 -2.558 -0.022) 2.567 6.054 ( 0.856 -0.663 -0.794) 1.343 7.744 ( 0.018 -0.607 -0.182) 0.634 8.063 ( -0.480 0.333 0.111) 0.594 8.196 ( -0.588 -2.474 -0.236) 2.554======================= Grid point 185 (60/231) =======================q-point: (-0.23 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.778 ( 1.821 13.807 7.389) 15.766 1.173 ( 1.092 16.404 1.653) 16.523 1.283 ( -0.445 8.299 -4.882) 9.639 1.439 ( 4.000 4.994 6.684) 9.253 1.522 ( 4.329 9.426 0.502) 10.384 1.583 ( -0.850 4.546 -1.436) 4.843 1.808 ( -0.590 8.256 -1.080) 8.347 1.893 ( 4.029 4.016 2.987) 6.426 1.946 ( -0.882 0.416 -0.322) 1.027 2.160 ( 1.212 6.218 -0.524) 6.357 2.270 ( -2.319 7.653 -0.168) 7.998 2.356 ( 1.433 6.929 -0.704) 7.111 2.516 ( -2.016 9.468 -1.327) 9.771 2.559 ( -2.504 0.511 1.592) 3.011 2.586 ( -3.232 7.477 0.424) 8.157 3.123 ( -0.255 1.312 -1.545) 2.043 3.212 ( -0.948 2.220 -2.872) 3.752 3.239 ( 0.641 1.003 0.797) 1.433 3.992 ( 0.167 -2.711 0.502) 2.762 4.382 ( 0.384 -2.366 0.195) 2.405 4.496 ( 0.564 -4.216 0.267) 4.262 5.040 ( -0.999 2.053 -1.314) 2.634 5.075 ( -1.210 2.710 -0.848) 3.087 5.153 ( -0.889 1.536 -0.685) 1.902 5.183 ( 1.538 -0.164 2.810) 3.208 5.281 ( 0.662 1.305 -0.305) 1.495 5.321 ( 0.635 0.650 1.014) 1.362 5.656 ( -0.399 -3.187 0.062) 3.213 5.737 ( 1.693 0.153 -3.980) 4.328 5.846 ( -0.053 -4.391 1.209) 4.554 5.885 ( -0.173 -6.999 -1.736) 7.213 6.075 ( 0.705 -1.722 -0.789) 2.021 6.085 ( 0.345 -5.353 0.181) 5.367 7.757 ( -0.059 -0.806 -0.291) 0.859 8.065 ( 0.133 -0.526 0.383) 0.664 8.245 ( -0.514 -2.939 -0.396) 3.009======================= Grid point 186 (61/231) =======================q-point: (-0.15 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.541 ( 1.623 12.935 9.158) 15.932 0.850 ( -2.788 17.331 4.687) 18.168 1.098 ( -1.526 10.464 -8.162) 13.358 1.229 ( 2.312 22.414 4.056) 22.895 1.369 ( 2.108 5.042 5.729) 7.918 1.463 ( -2.301 5.032 -3.247) 6.416 1.663 ( -1.896 9.119 -1.350) 9.412 1.739 ( 2.173 10.209 4.684) 11.440 1.929 ( -2.157 2.666 0.563) 3.475 2.014 ( 0.635 14.125 0.094) 14.140 2.055 ( 0.164 5.472 -3.814) 6.672 2.179 ( -0.368 12.942 0.429) 12.954 2.308 ( 0.355 13.317 -1.139) 13.370 2.481 ( 0.073 -1.571 -0.557) 1.668 2.578 ( -2.693 -1.104 0.813) 3.022 3.116 ( 0.702 -0.923 -0.953) 1.501 3.199 ( -1.441 -1.271 -4.161) 4.583 3.278 ( 2.168 -3.054 2.465) 4.483 4.061 ( 0.478 -4.138 1.648) 4.480 4.438 ( -0.034 -3.191 -0.098) 3.192 4.586 ( 0.318 -4.836 0.014) 4.846 4.984 ( -1.342 3.260 -1.679) 3.905 5.003 ( 0.067 4.096 0.191) 4.101 5.097 ( -0.850 3.157 -0.598) 3.323 5.167 ( 1.259 3.213 1.937) 3.958 5.275 ( 0.146 0.855 -0.102) 0.873 5.304 ( 1.981 0.521 2.165) 2.980 5.672 ( -1.407 3.286 -7.443) 8.257 5.754 ( 5.157 -2.532 -0.402) 5.760 5.953 ( 0.737 -6.299 2.558) 6.838 6.016 ( -0.003 -6.674 -1.709) 6.889 6.128 ( 0.272 -3.627 -0.492) 3.670 6.200 ( 0.598 -6.126 0.180) 6.158 7.772 ( -0.166 -0.840 -0.412) 0.950 8.083 ( 0.753 -1.069 0.698) 1.482 8.296 ( -0.547 -2.708 -0.737) 2.859======================= Grid point 187 (62/231) =======================q-point: (-0.08 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.326 ( -2.506 11.569 5.869) 13.213 0.532 ( -5.207 15.584 9.521) 18.990 0.745 ( 7.325 22.532 15.111) 28.102 0.974 ( -6.228 4.141 -11.330) 13.575 1.290 ( -5.007 11.801 -7.067) 14.639 1.301 ( -1.011 2.256 2.731) 3.684 1.512 ( 2.380 3.054 5.658) 6.856 1.592 ( 1.808 7.916 3.365) 8.790 1.725 ( -0.027 12.721 0.145) 12.722 1.881 ( -0.957 1.384 1.045) 1.981 1.925 ( -1.038 9.675 -0.698) 9.755 2.049 ( 0.744 3.523 -2.592) 4.436 2.063 ( 1.336 7.899 -0.954) 8.068 2.545 ( 1.718 -3.106 -0.570) 3.595 2.580 ( -3.591 -0.709 -1.143) 3.835 3.148 ( 1.020 -1.561 -0.327) 1.894 3.214 ( -1.815 -1.348 -4.815) 5.319 3.350 ( 2.556 -2.577 3.441) 5.002 4.156 ( 2.936 -5.285 4.242) 7.386 4.491 ( -0.070 -2.336 0.069) 2.338 4.675 ( -0.229 -4.771 -0.568) 4.810 4.906 ( -1.012 3.628 -0.906) 3.874 4.942 ( 0.395 2.506 0.118) 2.540 5.040 ( -0.180 2.398 0.041) 2.406 5.109 ( 0.733 2.900 0.605) 3.052 5.224 ( -0.631 2.847 -0.011) 2.916 5.339 ( 3.333 -1.197 3.217) 4.785 5.491 ( -0.417 15.352 -14.094) 20.844 5.846 ( 7.758 -3.391 1.904) 8.679 6.075 ( 1.066 -5.377 2.159) 5.892 6.118 ( 0.195 -4.148 -1.123) 4.301 6.195 ( -0.212 -3.006 -0.533) 3.060 6.304 ( 0.609 -4.291 0.244) 4.341 7.784 ( -0.228 -0.564 -0.489) 0.780 8.109 ( 1.184 -0.995 1.008) 1.846 8.334 ( -0.761 -1.621 -1.155) 2.131======================= Grid point 189 (63/231) =======================q-point: ( 0.08 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.275 ( 10.301 0.000 4.992) 11.447 0.422 ( 14.196 0.000 12.025) 18.604 0.706 ( 4.369 0.000 20.748) 21.203 0.829 ( -2.322 -0.000 -5.418) 5.895 1.066 ( -2.337 -0.000 -8.787) 9.093 1.288 ( 0.816 0.000 -1.472) 1.683 1.519 ( 1.825 0.000 2.137) 2.811 1.553 ( 0.598 0.000 6.098) 6.127 1.592 ( -0.257 -0.000 0.239) 0.351 1.810 ( -0.245 -0.000 -0.589) 0.638 1.881 ( -2.888 -0.000 -0.039) 2.888 1.924 ( -0.089 -0.000 0.322) 0.334 2.064 ( -0.020 -0.000 -3.464) 3.465 2.536 ( -2.920 -0.000 -2.645) 3.940 2.588 ( -0.077 -0.000 -0.090) 0.118 3.165 ( -0.740 -0.000 -1.993) 2.126 3.193 ( -1.369 -0.000 -2.220) 2.608 3.413 ( 1.353 0.000 2.281) 2.652 4.322 ( 2.169 0.000 -0.835) 2.324 4.526 ( -0.085 -0.000 0.919) 0.923 4.723 ( -3.377 -0.000 -3.364) 4.767 4.858 ( -0.769 -0.000 0.135) 0.781 4.914 ( -0.628 -0.000 -0.052) 0.630 5.008 ( -1.100 -0.000 0.169) 1.113 5.086 ( 0.680 0.000 0.134) 0.694 5.171 ( 1.237 0.000 -0.096) 1.241 5.199 ( 1.377 0.000 -0.036) 1.378 5.408 ( 2.339 0.000 3.993) 4.627 5.982 ( 4.758 0.000 -2.639) 5.441 6.114 ( -2.340 -0.000 -0.870) 2.496 6.181 ( -0.881 -0.000 0.458) 0.993 6.217 ( -0.266 -0.000 -0.574) 0.633 6.345 ( -1.802 -0.000 0.023) 1.803 7.787 ( -0.036 -0.000 -0.513) 0.515 8.137 ( 0.391 0.000 0.928) 1.007 8.331 ( -1.114 -0.000 -1.643) 1.985======================= Grid point 190 (64/231) =======================q-point: ( 0.15 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.294 ( 3.059 -10.639 3.992) 11.768 0.630 ( 5.279 -5.603 18.375) 19.923 0.817 ( -5.483 -6.344 -9.574) 12.727 0.984 ( 9.920 -18.406 7.646) 22.263 1.205 ( -0.003 -11.557 -4.199) 12.296 1.289 ( -0.510 -3.046 -0.088) 3.089 1.576 ( 1.250 -2.623 5.397) 6.129 1.648 ( 2.476 -10.045 2.728) 10.700 1.730 ( 0.385 -12.309 0.054) 12.315 1.843 ( -2.741 -0.025 -0.952) 2.901 1.905 ( -0.676 -8.521 -1.741) 8.723 2.044 ( 0.007 -5.710 -2.301) 6.156 2.077 ( 0.727 -7.781 -1.133) 7.897 2.519 ( -2.123 0.017 -1.273) 2.476 2.554 ( -0.523 3.075 -0.408) 3.146 3.150 ( -0.898 0.693 -2.108) 2.394 3.168 ( -1.003 1.593 -1.662) 2.511 3.395 ( 1.209 2.644 1.671) 3.353 4.216 ( 1.169 8.029 2.509) 8.493 4.488 ( -0.370 2.818 0.395) 2.869 4.662 ( -0.638 3.241 -0.949) 3.436 4.884 ( -1.033 -2.853 -0.471) 3.070 4.941 ( -0.471 -2.952 -0.068) 2.990 5.026 ( -1.018 -2.191 0.171) 2.422 5.132 ( 1.072 -3.405 0.529) 3.609 5.233 ( 1.384 -2.822 0.303) 3.158 5.355 ( -3.064 -6.983 -3.752) 8.499 5.432 ( 1.310 -5.141 -0.091) 5.306 5.943 ( 3.300 5.227 -2.381) 6.624 6.065 ( -2.197 3.891 0.621) 4.511 6.120 ( -1.128 5.146 0.791) 5.328 6.181 ( -0.588 3.203 -0.417) 3.283 6.295 ( -1.527 3.958 0.115) 4.244 7.779 ( -0.092 0.654 -0.439) 0.793 8.128 ( 0.288 1.001 1.109) 1.521 8.311 ( -0.965 1.379 -1.460) 2.228======================= Grid point 191 (65/231) =======================q-point: ( 0.23 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( -1.356 -17.816 5.951) 18.832 0.801 ( 0.527 -9.955 13.299) 16.621 0.938 ( -6.045 -10.058 -6.485) 13.407 1.259 ( -5.083 -5.637 -9.508) 12.166 1.397 ( -0.213 -13.696 0.719) 13.717 1.516 ( 5.459 -13.114 10.991) 17.960 1.678 ( 0.853 -7.401 2.069) 7.732 1.781 ( -2.410 -0.897 -0.056) 2.572 1.864 ( 0.116 -5.362 -0.617) 5.398 2.012 ( -0.842 -11.181 -1.983) 11.387 2.066 ( 2.435 -13.081 -1.378) 13.377 2.201 ( 1.635 -12.505 0.086) 12.611 2.328 ( 1.780 -13.619 -1.025) 13.773 2.495 ( 0.799 1.935 -1.132) 2.379 2.523 ( -0.952 -1.547 0.731) 1.958 3.129 ( 0.438 1.292 -0.877) 1.622 3.143 ( -0.874 -0.553 -2.668) 2.861 3.338 ( 1.275 3.838 0.847) 4.132 4.087 ( 0.156 6.287 1.515) 6.469 4.428 ( -0.634 3.265 0.082) 3.327 4.591 ( -0.020 4.198 -0.062) 4.198 4.943 ( -0.569 -3.602 -0.995) 3.780 5.006 ( 0.021 -3.551 -0.158) 3.555 5.077 ( -0.249 -3.351 -0.108) 3.361 5.210 ( 0.782 -3.805 0.883) 3.983 5.293 ( 0.995 -2.174 1.443) 2.792 5.352 ( -0.388 1.832 0.814) 2.042 5.577 ( -1.572 -6.879 -3.970) 8.096 5.837 ( 2.154 6.244 -2.268) 6.984 5.960 ( -1.505 6.178 0.961) 6.431 6.001 ( -0.556 6.862 -0.427) 6.897 6.108 ( -0.889 3.607 -0.362) 3.732 6.196 ( -0.962 5.712 0.031) 5.793 7.764 ( -0.085 0.788 -0.387) 0.882 8.110 ( 0.421 1.130 0.939) 1.528 8.272 ( -0.404 2.072 -1.039) 2.353======================= Grid point 192 (66/231) =======================q-point: ( 0.31 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( -1.124 -15.077 9.287) 17.743 1.021 ( -3.238 -12.168 6.143) 14.010 1.104 ( -7.387 -11.078 -4.060) 13.920 1.308 ( -8.591 -4.217 -7.923) 12.424 1.564 ( -0.587 -5.408 5.839) 7.981 1.709 ( -2.494 -3.764 -1.638) 4.803 1.775 ( -0.638 -2.954 4.109) 5.101 1.836 ( -3.865 -4.140 0.483) 5.685 1.932 ( 1.288 -4.278 -1.048) 4.589 2.198 ( -1.503 -7.668 -0.111) 7.815 2.300 ( 3.737 -8.238 -0.097) 9.046 2.434 ( 1.364 -9.327 -1.078) 9.488 2.515 ( 2.659 -4.076 2.014) 5.267 2.526 ( 1.699 -5.988 -1.813) 6.483 2.626 ( 3.747 -8.400 0.348) 9.204 3.136 ( 1.522 -2.409 -1.371) 3.163 3.183 ( 0.547 -4.432 -1.860) 4.838 3.283 ( 1.247 2.006 -0.125) 2.365 3.989 ( -0.571 3.941 0.496) 4.013 4.372 ( -0.922 1.998 0.264) 2.217 4.506 ( -0.296 4.491 0.250) 4.508 5.002 ( 0.299 -2.731 -1.186) 2.993 5.058 ( 0.385 -1.626 -0.462) 1.734 5.142 ( 0.784 -3.221 -0.072) 3.316 5.260 ( 0.561 0.170 1.454) 1.567 5.292 ( -0.115 0.887 0.439) 0.996 5.343 ( -0.450 -0.158 0.893) 1.012 5.648 ( 0.369 -1.234 -0.710) 1.471 5.760 ( 1.303 1.767 -2.818) 3.572 5.836 ( -1.022 6.047 -0.443) 6.148 5.871 ( 0.395 6.356 -0.571) 6.394 6.051 ( -1.030 1.819 -0.666) 2.193 6.087 ( -0.347 5.187 0.062) 5.199 7.750 ( -0.026 0.668 -0.294) 0.730 8.096 ( 0.708 0.700 0.598) 1.161 8.231 ( 0.300 2.123 -0.588) 2.223======================= Grid point 193 (67/231) =======================q-point: ( 0.38 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 0.647 -10.493 10.152) 14.614 1.221 ( -6.796 -10.927 0.644) 12.884 1.267 ( -7.944 -9.603 -2.074) 12.634 1.325 ( -8.204 -3.084 -4.145) 9.695 1.642 ( -0.124 -2.575 6.531) 7.021 1.721 ( -4.375 -0.588 -3.143) 5.419 1.813 ( -3.387 -2.095 2.166) 4.533 1.831 ( -3.054 1.428 1.448) 3.669 2.016 ( 0.623 -3.816 -1.280) 4.073 2.281 ( -0.662 -1.631 0.394) 1.804 2.377 ( 0.992 0.929 -0.803) 1.579 2.529 ( 1.899 -0.840 2.231) 3.048 2.564 ( -0.686 -1.058 -1.457) 1.927 2.664 ( 5.037 -3.526 -0.966) 6.223 2.748 ( 4.750 -1.375 -0.325) 4.956 3.238 ( 3.121 -6.750 0.759) 7.476 3.293 ( 1.627 -4.088 -1.931) 4.805 3.318 ( 0.481 -8.258 -1.565) 8.418 3.949 ( -0.909 -0.310 0.232) 0.988 4.356 ( -1.192 -0.962 0.482) 1.606 4.436 ( -0.975 2.357 0.164) 2.556 5.042 ( 1.086 -1.355 -1.151) 2.083 5.063 ( 0.528 1.132 -0.934) 1.560 5.196 ( 1.479 -1.641 0.394) 2.244 5.224 ( 0.334 2.255 1.605) 2.788 5.282 ( -0.701 1.322 -0.636) 1.626 5.330 ( -1.041 0.987 0.658) 1.578 5.654 ( 2.141 0.807 1.048) 2.517 5.738 ( 0.022 2.269 -2.537) 3.403 5.743 ( -0.574 2.850 -1.321) 3.194 5.798 ( 2.336 1.027 -0.572) 2.615 6.008 ( -0.094 2.855 -0.100) 2.858 6.026 ( -0.771 0.768 -0.806) 1.354 7.739 ( 0.005 0.471 -0.194) 0.509 8.093 ( 0.954 0.061 0.257) 0.990 8.195 ( 0.721 1.893 -0.310) 2.049======================= Grid point 194 (68/231) =======================q-point: ( 0.46 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.305 ( -5.457 -2.406 -0.292) 5.971 1.334 ( -1.689 -5.834 2.935) 6.746 1.375 ( -4.100 -7.429 1.919) 8.699 1.430 ( -5.326 -8.478 1.037) 10.066 1.660 ( -3.476 1.292 1.848) 4.143 1.702 ( -1.584 -0.401 2.241) 2.773 1.822 ( -1.820 -1.877 0.610) 2.685 1.846 ( -3.698 -3.108 0.813) 4.899 2.084 ( 2.202 -2.717 0.829) 3.594 2.249 ( -2.773 4.150 -0.463) 5.013 2.318 ( 1.621 4.405 -1.576) 4.951 2.505 ( -1.062 2.793 0.938) 3.132 2.535 ( 1.066 3.807 0.277) 3.963 2.685 ( 4.182 2.695 -1.394) 5.167 2.732 ( 3.756 3.776 -0.985) 5.416 3.358 ( 1.861 -4.089 0.941) 4.590 3.412 ( 0.887 -7.200 -2.174) 7.573 3.491 ( 1.526 -8.371 -0.941) 8.560 3.985 ( -0.759 -3.174 0.326) 3.280 4.391 ( -1.212 -2.802 0.426) 3.083 4.414 ( -1.123 -0.382 0.179) 1.199 5.033 ( 0.659 1.651 -0.925) 2.004 5.064 ( 1.246 -0.727 -0.992) 1.751 5.186 ( 0.698 1.428 1.126) 1.948 5.223 ( 0.370 0.744 0.762) 1.128 5.242 ( -0.269 1.376 -0.751) 1.590 5.305 ( -1.157 1.080 0.197) 1.595 5.635 ( 1.098 1.543 0.544) 1.971 5.692 ( -0.489 1.769 -0.870) 2.031 5.727 ( 1.984 -0.104 -1.810) 2.688 5.811 ( 1.765 -0.660 -1.183) 2.225 5.977 ( 0.267 0.642 0.013) 0.696 6.007 ( -0.561 0.875 -0.614) 1.207 7.732 ( 0.007 0.267 -0.122) 0.294 8.101 ( 0.885 -0.395 -0.005) 0.970 8.164 ( 0.622 1.725 -0.222) 1.847======================= Grid point 195 (69/231) =======================q-point: ( 0.54 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( -0.248 -3.248 1.631) 3.643 1.421 ( -2.466 -4.170 -2.442) 5.426 1.463 ( -0.006 -2.386 3.647) 4.358 1.534 ( -3.277 -4.171 1.127) 5.423 1.620 ( -1.666 1.355 4.151) 4.674 1.716 ( -1.038 -1.895 2.364) 3.203 1.857 ( -2.822 -1.869 -0.671) 3.450 1.910 ( -0.437 -4.553 0.642) 4.619 2.068 ( -0.089 7.469 3.027) 8.060 2.192 ( -1.498 -2.562 -2.337) 3.777 2.256 ( 1.837 2.336 -1.180) 3.197 2.436 ( -0.438 4.383 0.908) 4.497 2.476 ( 0.646 1.446 1.151) 1.958 2.632 ( 2.368 3.096 -1.552) 4.196 2.683 ( 1.468 1.936 -1.688) 2.958 3.409 ( 0.184 -0.501 -0.246) 0.588 3.510 ( 0.430 -2.526 -1.221) 2.838 3.612 ( 0.999 -3.494 -0.727) 3.706 4.035 ( -0.364 -1.850 0.312) 1.911 4.420 ( -0.556 -0.625 -0.039) 0.838 4.440 ( -0.517 -1.972 0.694) 2.153 5.016 ( 0.393 0.224 -0.829) 0.944 5.084 ( 0.893 -1.089 -0.400) 1.464 5.168 ( 0.074 2.167 0.471) 2.219 5.182 ( -0.306 0.783 -0.629) 1.050 5.236 ( 0.199 0.498 0.195) 0.571 5.290 ( -0.499 -0.129 0.492) 0.712 5.620 ( 0.696 0.549 0.422) 0.981 5.670 ( -0.671 0.363 -0.858) 1.148 5.727 ( 1.402 0.919 -1.767) 2.436 5.821 ( 0.813 0.243 -1.457) 1.686 5.977 ( -0.117 -0.194 -0.815) 0.845 5.993 ( 0.198 0.022 0.636) 0.667 7.729 ( 0.014 0.049 -0.087) 0.101 8.113 ( 0.485 -0.526 -0.161) 0.734 8.135 ( 0.123 1.556 -0.186) 1.572======================= Grid point 196 (70/231) =======================q-point: (-0.38 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( 0.950 3.503 -0.536) 3.668 1.454 ( 1.847 -1.473 3.338) 4.090 1.502 ( -0.394 -3.026 -0.016) 3.052 1.572 ( -0.259 -1.303 0.738) 1.519 1.641 ( 1.235 -3.418 5.990) 7.006 1.748 ( 0.024 0.319 -0.414) 0.523 1.846 ( 0.197 2.038 -0.469) 2.101 1.908 ( 0.311 6.696 2.868) 7.291 2.005 ( 0.203 -3.533 0.359) 3.557 2.229 ( 0.654 -1.386 -0.793) 1.726 2.265 ( -0.365 -2.349 -0.227) 2.388 2.374 ( -0.162 1.232 1.032) 1.615 2.497 ( -0.146 -3.078 0.293) 3.095 2.615 ( 0.108 -0.857 -1.751) 1.953 2.679 ( -1.164 -1.673 -1.520) 2.542 3.374 ( -0.412 3.991 -0.153) 4.015 3.500 ( -0.412 3.328 -1.098) 3.529 3.619 ( 0.028 2.866 -1.036) 3.047 4.041 ( 0.060 1.119 0.234) 1.145 4.417 ( 0.497 1.031 0.403) 1.214 4.458 ( 0.117 0.132 0.342) 0.385 5.025 ( -0.260 -1.112 -1.229) 1.678 5.111 ( 0.136 -1.211 0.494) 1.315 5.118 ( -0.674 1.880 -0.986) 2.227 5.189 ( 0.543 -0.356 0.688) 0.946 5.230 ( -0.068 -0.449 -0.086) 0.462 5.304 ( -0.050 -1.165 0.338) 1.214 5.616 ( 0.068 0.333 0.381) 0.511 5.669 ( -0.491 -0.710 -0.744) 1.139 5.705 ( 0.348 1.226 -1.746) 2.162 5.806 ( -0.111 1.150 -1.185) 1.655 5.975 ( -0.372 -0.123 -0.674) 0.779 6.012 ( 0.395 -1.349 0.151) 1.414 7.730 ( 0.024 -0.173 -0.099) 0.201 8.101 ( -0.256 1.500 -0.099) 1.525 8.132 ( -0.087 -0.954 -0.188) 0.976======================= Grid point 197 (71/231) =======================q-point: (-0.31 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( 1.226 10.011 4.110) 10.891 1.476 ( 0.944 1.663 3.176) 3.707 1.549 ( -1.367 -1.909 -3.273) 4.028 1.597 ( 2.861 0.483 0.179) 2.907 1.658 ( -1.006 6.225 -3.853) 7.390 1.751 ( 4.450 -3.400 5.685) 7.980 1.785 ( 4.613 5.163 5.399) 8.779 1.852 ( 0.143 -0.959 -0.113) 0.976 2.055 ( 1.545 -0.746 -0.399) 1.761 2.261 ( 0.929 -1.006 0.292) 1.401 2.305 ( -0.557 -2.130 0.393) 2.236 2.395 ( -0.240 -2.674 0.966) 2.853 2.556 ( -1.583 -2.580 -0.454) 3.061 2.645 ( -1.385 -2.167 -2.146) 3.349 2.714 ( -2.733 -2.060 -0.685) 3.490 3.269 ( -0.323 6.341 0.177) 6.352 3.394 ( -0.795 6.909 -1.188) 7.056 3.512 ( -0.605 7.828 -1.484) 7.990 4.003 ( 0.205 2.547 0.094) 2.557 4.390 ( 0.863 2.048 0.647) 2.315 4.444 ( 0.469 1.036 0.184) 1.152 5.048 ( -0.644 -1.607 -1.609) 2.363 5.087 ( -1.143 0.509 -2.156) 2.493 5.139 ( 0.153 -1.242 1.896) 2.272 5.189 ( 0.036 0.313 1.564) 1.595 5.259 ( 0.423 -2.065 -0.731) 2.232 5.324 ( 0.116 -0.684 0.283) 0.749 5.608 ( -0.400 0.322 0.321) 0.606 5.689 ( 0.479 -1.299 -0.694) 1.549 5.702 ( -0.307 -1.757 -1.580) 2.382 5.785 ( -0.726 0.515 -0.800) 1.197 5.979 ( -0.394 -0.674 -0.380) 0.869 6.038 ( 0.329 -1.196 -0.742) 1.445 7.735 ( 0.009 -0.377 -0.165) 0.412 8.075 ( -0.363 1.056 0.129) 1.124 8.154 ( -0.330 -1.642 -0.205) 1.688======================= Grid point 198 (72/231) =======================q-point: (-0.23 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( 1.464 12.489 7.113) 14.446 1.403 ( -0.924 6.868 0.725) 6.968 1.454 ( 0.015 10.168 -4.870) 11.274 1.556 ( 2.135 4.838 4.375) 6.864 1.602 ( -2.271 0.209 -4.117) 4.706 1.673 ( 5.474 5.282 4.818) 9.005 1.867 ( 0.810 -1.084 -0.680) 1.514 1.904 ( 3.066 -4.485 3.303) 6.358 2.022 ( 0.888 5.435 -1.473) 5.701 2.250 ( 0.976 2.851 1.198) 3.243 2.329 ( -0.707 0.377 0.538) 0.965 2.438 ( 1.559 -0.297 1.377) 2.101 2.556 ( -2.124 1.394 0.216) 2.550 2.641 ( -1.780 2.759 -1.958) 3.823 2.688 ( -2.882 3.827 -0.277) 4.799 3.166 ( 0.079 3.996 -0.201) 4.002 3.267 ( -0.530 5.056 -1.567) 5.320 3.343 ( -0.559 8.625 -1.510) 8.774 3.970 ( 0.039 0.505 0.008) 0.507 4.366 ( 0.546 0.503 0.548) 0.923 4.445 ( 0.509 -1.300 0.333) 1.435 5.057 ( -0.879 0.429 -1.714) 1.973 5.084 ( -1.196 -0.617 -2.254) 2.625 5.164 ( 1.144 -0.591 3.079) 3.337 5.183 ( -0.661 0.245 0.394) 0.808 5.292 ( 0.459 -0.834 -0.725) 1.196 5.331 ( 0.431 0.028 1.090) 1.173 5.611 ( -0.247 -1.115 0.320) 1.186 5.725 ( 1.433 -1.814 -1.007) 2.521 5.763 ( -0.235 -4.927 -1.730) 5.227 5.786 ( -1.205 -1.622 -0.713) 2.143 6.007 ( -0.129 -2.771 -0.055) 2.775 6.057 ( 0.330 -0.804 -1.162) 1.451 7.744 ( -0.047 -0.583 -0.275) 0.646 8.062 ( -0.002 0.192 0.445) 0.484 8.191 ( -0.374 -2.420 -0.324) 2.470======================= Grid point 199 (73/231) =======================q-point: (-0.15 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( 1.543 13.594 9.464) 16.636 1.164 ( -3.039 16.172 -0.408) 16.460 1.264 ( -1.609 9.655 -4.759) 10.883 1.483 ( 2.422 4.789 6.274) 8.256 1.526 ( -2.553 5.517 -5.180) 7.987 1.613 ( 6.252 8.357 5.932) 12.005 1.794 ( -1.638 9.260 -2.032) 9.621 1.919 ( 0.847 3.985 0.980) 4.190 1.935 ( -1.499 1.772 -0.014) 2.321 2.176 ( 2.186 6.175 0.352) 6.560 2.254 ( -1.153 7.905 -0.053) 7.989 2.374 ( 2.438 7.377 0.474) 7.784 2.499 ( -0.870 7.370 -1.980) 7.681 2.536 ( -2.594 4.372 -0.412) 5.100 2.571 ( -0.978 4.557 2.102) 5.113 3.119 ( 0.260 1.240 -1.563) 2.012 3.198 ( -0.580 2.619 -2.716) 3.817 3.247 ( 0.923 -0.093 0.786) 1.216 3.994 ( -0.010 -2.879 0.500) 2.922 4.384 ( 0.025 -2.164 0.129) 2.168 4.501 ( 0.453 -4.144 0.465) 4.194 5.027 ( -1.041 2.057 -1.880) 2.975 5.064 ( -0.724 2.237 -0.837) 2.495 5.143 ( -0.716 2.237 -0.645) 2.435 5.205 ( 1.810 -0.729 3.332) 3.861 5.286 ( 0.464 1.029 -0.176) 1.142 5.330 ( 0.636 0.659 1.366) 1.645 5.652 ( -0.348 -2.767 -0.121) 2.792 5.743 ( 1.617 -0.170 -3.654) 4.000 5.848 ( -0.075 -5.193 1.186) 5.327 5.879 ( -0.223 -7.138 -2.009) 7.419 6.076 ( 0.017 -2.088 -1.146) 2.382 6.089 ( 0.285 -5.207 0.260) 5.221 7.756 ( -0.134 -0.769 -0.406) 0.880 8.069 ( 0.520 -0.728 0.784) 1.190 8.239 ( -0.429 -2.873 -0.637) 2.974======================= Grid point 200 (74/231) =======================q-point: (-0.08 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( 0.933 13.572 9.992) 16.880 0.819 ( -5.622 17.557 4.209) 18.910 1.059 ( -3.027 9.650 -8.543) 13.239 1.283 ( 5.857 23.382 6.433) 24.948 1.380 ( -0.898 7.372 -1.513) 7.580 1.444 ( -1.065 5.525 1.991) 5.969 1.652 ( -0.159 8.339 0.546) 8.358 1.767 ( 1.895 8.695 3.932) 9.729 1.906 ( -2.862 2.922 -1.072) 4.229 2.020 ( 0.340 14.928 0.616) 14.944 2.049 ( 0.714 5.514 -4.088) 6.901 2.180 ( 0.457 12.581 0.303) 12.593 2.311 ( 0.770 13.631 -1.027) 13.691 2.483 ( 0.637 -3.046 -0.602) 3.169 2.555 ( -2.596 -0.210 0.181) 2.611 3.121 ( 0.771 -1.291 -0.770) 1.689 3.177 ( -1.294 -0.752 -3.729) 4.018 3.302 ( 1.907 -3.590 2.221) 4.632 4.071 ( 0.621 -4.849 1.952) 5.264 4.436 ( -0.264 -3.149 -0.173) 3.165 4.589 ( 0.256 -4.611 0.057) 4.619 4.967 ( -1.360 3.429 -1.782) 4.097 5.004 ( 0.163 3.545 0.036) 3.549 5.088 ( -0.811 2.940 -0.629) 3.114 5.183 ( 1.350 3.703 1.996) 4.418 5.277 ( 0.214 1.842 0.510) 1.923 5.328 ( 1.941 -1.003 2.433) 3.270 5.639 ( -2.205 4.351 -6.353) 8.010 5.793 ( 4.102 -4.460 -1.735) 6.303 5.965 ( 0.349 -6.543 2.593) 7.047 6.010 ( -0.215 -6.777 -1.734) 6.999 6.126 ( -0.414 -3.570 -0.832) 3.689 6.204 ( 0.086 -6.181 0.263) 6.187 7.769 ( -0.211 -0.808 -0.509) 0.978 8.093 ( 0.849 -1.230 1.085) 1.847 8.288 ( -0.660 -2.593 -1.088) 2.889======================= Grid point 203 (75/231) =======================q-point: ( 0.15 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.369 ( 8.113 0.000 2.301) 8.433 0.579 ( 14.859 0.000 9.657) 17.722 0.718 ( -2.152 -0.000 -1.780) 2.793 0.902 ( 10.940 0.000 18.514) 21.505 1.032 ( -0.906 -0.000 -8.763) 8.810 1.292 ( 1.168 0.000 -4.315) 4.471 1.544 ( 2.605 0.000 1.945) 3.251 1.567 ( -0.138 -0.000 5.863) 5.864 1.589 ( -0.473 -0.000 0.012) 0.473 1.806 ( -0.479 -0.000 -0.656) 0.812 1.853 ( -2.922 -0.000 -0.963) 3.077 1.922 ( -0.368 -0.000 0.299) 0.474 2.050 ( -1.186 -0.000 -3.323) 3.529 2.509 ( -1.840 -0.000 -1.390) 2.306 2.580 ( -1.556 -0.000 -0.298) 1.585 3.146 ( -1.818 -0.000 -3.018) 3.523 3.181 ( -0.897 -0.000 -0.579) 1.068 3.427 ( 0.790 0.000 1.158) 1.402 4.325 ( -0.829 -0.000 -0.549) 0.995 4.524 ( -0.836 -0.000 0.977) 1.285 4.692 ( -1.995 -0.000 -1.905) 2.758 4.848 ( -1.342 -0.000 0.079) 1.345 4.906 ( -1.057 -0.000 -0.059) 1.059 4.997 ( -1.475 -0.000 0.283) 1.502 5.091 ( 0.552 0.000 -0.140) 0.570 5.188 ( 2.355 0.000 0.097) 2.357 5.215 ( 2.128 0.000 -0.083) 2.130 5.433 ( 1.385 0.000 2.873) 3.189 6.007 ( 2.591 0.000 -3.066) 4.014 6.091 ( -2.570 -0.000 0.422) 2.604 6.162 ( -3.053 -0.000 -0.088) 3.054 6.215 ( -0.168 -0.000 0.537) 0.562 6.325 ( -2.331 -0.000 0.036) 2.332 7.786 ( -0.084 -0.000 -0.408) 0.416 8.140 ( -0.234 -0.000 0.814) 0.847 8.318 ( -1.052 -0.000 -1.376) 1.732======================= Grid point 204 (76/231) =======================q-point: ( 0.23 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.361 ( 8.397 -5.010 4.720) 10.857 0.717 ( 2.749 -2.252 13.044) 13.519 0.764 ( -0.049 -5.733 -1.378) 5.896 1.052 ( 3.796 -12.684 -4.137) 13.872 1.225 ( 4.328 -8.856 1.989) 10.055 1.290 ( 1.035 -7.551 1.186) 7.713 1.591 ( -0.406 -2.271 4.664) 5.203 1.676 ( 2.622 -10.745 1.780) 11.203 1.734 ( 0.458 -11.532 -0.013) 11.541 1.819 ( -1.771 -0.916 -1.094) 2.274 1.894 ( -0.881 -7.780 -1.744) 8.022 2.037 ( -0.335 -5.676 -2.082) 6.055 2.080 ( 0.556 -9.920 -0.975) 9.984 2.503 ( -1.003 -0.289 -0.081) 1.047 2.543 ( -1.624 2.646 -0.703) 3.183 3.132 ( -1.471 0.154 -2.634) 3.020 3.160 ( -0.662 1.555 -0.656) 1.813 3.406 ( 0.764 2.520 0.528) 2.685 4.225 ( -0.208 7.597 1.368) 7.722 4.485 ( -0.569 2.907 0.549) 3.012 4.655 ( -0.420 2.612 -0.671) 2.730 4.874 ( -1.039 -2.966 -0.246) 3.152 4.936 ( -0.717 -3.256 -0.120) 3.336 5.018 ( -1.021 -2.496 0.368) 2.721 5.141 ( 0.575 -3.660 0.061) 3.706 5.248 ( 1.857 -2.578 0.359) 3.198 5.322 ( -2.212 -7.660 -2.848) 8.466 5.446 ( 1.156 -2.252 0.704) 2.627 5.960 ( 1.945 5.243 -2.817) 6.262 6.047 ( -2.152 3.509 1.065) 4.252 6.104 ( -2.384 4.359 -0.040) 4.969 6.177 ( -0.235 3.536 0.514) 3.581 6.280 ( -1.874 3.573 -0.142) 4.037 7.778 ( -0.059 0.658 -0.306) 0.728 8.131 ( -0.243 0.806 0.651) 1.065 8.300 ( -0.710 1.196 -0.989) 1.706======================= Grid point 205 (77/231) =======================q-point: ( 0.31 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.613 ( 1.526 -15.586 5.497) 16.597 0.829 ( -2.969 -8.880 4.702) 10.477 0.891 ( -0.286 -7.802 5.691) 9.661 1.184 ( -6.662 -3.747 -9.311) 12.046 1.392 ( -0.752 -11.935 -0.064) 11.959 1.586 ( 4.240 -11.107 10.230) 15.684 1.674 ( -2.600 -8.137 -0.543) 8.560 1.758 ( -1.613 0.849 -0.361) 1.858 1.872 ( 1.381 -5.023 0.219) 5.213 1.995 ( -1.672 -10.472 -2.374) 10.867 2.090 ( 3.373 -15.148 -0.925) 15.547 2.216 ( 1.603 -13.083 0.166) 13.182 2.345 ( 2.644 -13.703 -1.209) 14.008 2.499 ( 0.676 0.311 -0.531) 0.914 2.519 ( -0.391 -2.273 0.923) 2.484 3.129 ( 0.021 0.705 -1.447) 1.610 3.132 ( -0.300 -0.980 -1.659) 1.950 3.348 ( 0.899 3.722 -0.164) 3.832 4.090 ( -0.214 6.588 0.989) 6.665 4.422 ( -0.708 3.382 0.301) 3.469 4.590 ( -0.081 4.118 -0.102) 4.120 4.938 ( -0.183 -3.857 -0.461) 3.889 5.005 ( 0.005 -3.846 -0.138) 3.848 5.076 ( -0.035 -3.746 0.165) 3.749 5.217 ( 0.445 -3.736 0.359) 3.779 5.306 ( 0.952 -2.032 1.284) 2.585 5.344 ( -1.354 1.440 -0.340) 2.005 5.559 ( -0.763 -7.014 -2.880) 7.621 5.848 ( 1.518 6.315 -2.411) 6.928 5.949 ( -1.411 5.979 0.744) 6.188 5.992 ( -1.039 6.316 -0.544) 6.424 6.102 ( -0.568 3.882 0.316) 3.936 6.186 ( -1.144 5.318 -0.189) 5.443 7.763 ( 0.001 0.783 -0.238) 0.818 8.114 ( 0.011 0.897 0.357) 0.965 8.268 ( -0.055 1.790 -0.533) 1.868======================= Grid point 206 (78/231) =======================q-point: ( 0.38 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.910 ( -2.679 -15.060 4.348) 15.902 1.013 ( -6.247 -11.932 -0.703) 13.487 1.053 ( 0.034 -8.228 9.685) 12.709 1.210 ( -9.184 -4.046 -6.146) 11.768 1.561 ( -2.532 -6.572 3.252) 7.757 1.692 ( -1.130 -0.977 0.431) 1.555 1.747 ( -5.190 -3.030 -0.918) 6.080 1.822 ( -1.066 -3.013 3.195) 4.519 1.941 ( 1.322 -3.874 -1.151) 4.252 2.180 ( -2.035 -8.513 -0.628) 8.775 2.331 ( 3.292 -7.158 -1.132) 7.959 2.444 ( 1.371 -9.058 -0.993) 9.214 2.530 ( 0.290 -1.871 0.800) 2.055 2.555 ( 4.285 -9.107 0.284) 10.069 2.661 ( 3.829 -9.532 0.076) 10.273 3.147 ( 1.462 -3.148 -1.317) 3.713 3.185 ( 0.786 -5.033 -1.406) 5.284 3.292 ( 1.018 2.068 -0.721) 2.415 3.984 ( -0.594 4.207 0.523) 4.280 4.364 ( -0.980 2.119 0.342) 2.359 4.503 ( -0.425 4.722 0.029) 4.741 5.005 ( 0.752 -3.006 -0.571) 3.150 5.061 ( 0.530 -1.655 -0.292) 1.762 5.150 ( 0.985 -3.653 0.147) 3.787 5.265 ( 0.114 -0.142 0.543) 0.573 5.290 ( -0.544 1.544 0.092) 1.639 5.339 ( -0.716 -0.039 0.521) 0.886 5.651 ( 0.604 -2.800 -0.914) 3.006 5.764 ( 1.058 2.448 -2.641) 3.753 5.826 ( -0.751 6.024 -0.415) 6.084 5.873 ( 0.390 5.546 -0.386) 5.573 6.041 ( -0.909 2.060 -0.173) 2.259 6.084 ( -0.354 4.812 -0.074) 4.825 7.749 ( 0.047 0.664 -0.171) 0.687 8.102 ( 0.405 0.462 0.066) 0.618 8.234 ( 0.543 1.906 -0.240) 1.996======================= Grid point 207 (79/231) =======================q-point: ( 0.46 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( -5.380 -12.190 1.945) 13.466 1.182 ( -8.121 -8.626 -2.331) 12.075 1.222 ( 1.037 -7.787 10.266) 12.927 1.251 ( -6.575 -5.853 -1.626) 8.952 1.635 ( -4.116 -2.559 1.865) 5.193 1.689 ( -1.666 -0.227 0.902) 1.908 1.776 ( -3.695 -2.416 -0.350) 4.428 1.818 ( -1.999 1.274 2.118) 3.179 2.022 ( 1.121 -4.114 -1.301) 4.458 2.269 ( -1.824 -1.533 -0.239) 2.394 2.385 ( 1.571 1.250 -2.164) 2.951 2.538 ( -1.648 0.991 0.100) 1.925 2.565 ( 2.191 -2.294 0.681) 3.244 2.706 ( 4.423 -3.335 -0.484) 5.561 2.787 ( 4.057 -1.218 -0.264) 4.244 3.263 ( 2.099 -7.947 -0.874) 8.266 3.299 ( 0.897 -2.494 -0.792) 2.766 3.326 ( 1.645 -9.004 -0.984) 9.206 3.943 ( -0.767 -0.253 0.539) 0.971 4.346 ( -1.226 -0.903 0.310) 1.554 4.427 ( -0.954 2.579 0.032) 2.750 5.051 ( 1.410 -1.481 -0.592) 2.129 5.067 ( 0.721 1.165 -0.614) 1.502 5.211 ( 1.685 -1.813 0.471) 2.519 5.227 ( -0.174 2.126 0.738) 2.257 5.273 ( -0.852 1.505 -0.612) 1.835 5.321 ( -1.238 1.157 0.442) 1.752 5.675 ( 1.875 0.968 1.156) 2.406 5.732 ( -0.130 2.328 -1.745) 2.912 5.737 ( 0.140 1.929 -2.418) 3.096 5.816 ( 1.988 0.879 -0.564) 2.246 6.005 ( -0.434 2.037 -0.478) 2.136 6.020 ( -0.274 1.352 0.034) 1.380 7.739 ( 0.048 0.479 -0.113) 0.495 8.101 ( 0.682 -0.060 -0.132) 0.697 8.201 ( 0.756 1.866 -0.178) 2.021======================= Grid point 208 (80/231) =======================q-point: ( 0.54 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.262 ( -3.911 -4.682 0.587) 6.129 1.310 ( -4.056 -6.522 0.521) 7.698 1.358 ( -1.654 -7.760 3.111) 8.523 1.396 ( -3.135 -8.355 3.991) 9.776 1.626 ( -3.688 0.489 -0.583) 3.766 1.700 ( -1.266 -0.743 4.202) 4.451 1.801 ( -3.163 -1.023 0.494) 3.360 1.823 ( -1.046 -3.899 0.134) 4.039 2.104 ( 1.659 -3.955 -0.405) 4.308 2.217 ( -3.272 5.486 -1.231) 6.506 2.332 ( 2.181 4.144 -1.673) 4.973 2.488 ( -2.333 2.499 -0.646) 3.480 2.552 ( 1.783 4.004 1.911) 4.782 2.718 ( 3.560 3.161 -1.123) 4.892 2.761 ( 2.921 4.472 -0.575) 5.372 3.366 ( 0.019 -3.719 -1.392) 3.972 3.421 ( 1.762 -6.916 -0.331) 7.144 3.503 ( 1.400 -8.226 -0.600) 8.365 3.980 ( -0.582 -3.265 0.582) 3.367 4.381 ( -1.177 -2.839 0.010) 3.073 4.406 ( -0.812 -0.632 0.404) 1.105 5.038 ( 0.792 1.718 -0.579) 1.978 5.075 ( 1.443 -0.592 -0.476) 1.631 5.193 ( 0.234 1.264 0.522) 1.388 5.222 ( -0.587 2.660 -0.250) 2.736 5.243 ( 0.682 -0.144 0.077) 0.701 5.295 ( -1.125 0.887 0.299) 1.464 5.646 ( 1.079 1.794 0.525) 2.158 5.685 ( -0.651 1.711 -0.771) 1.987 5.739 ( 1.703 -0.231 -2.265) 2.843 5.823 ( 1.501 -0.262 -1.321) 2.016 5.979 ( 0.258 0.597 -0.050) 0.652 6.003 ( -0.284 0.686 0.043) 0.744 7.732 ( 0.031 0.274 -0.076) 0.286 8.108 ( 0.623 -0.339 -0.231) 0.746 8.169 ( 0.518 1.883 -0.220) 1.966======================= Grid point 209 (81/231) =======================q-point: ( 0.62 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 0.963 -4.776 1.319) 5.047 1.392 ( -2.733 -4.353 -1.991) 5.512 1.471 ( 0.404 -3.394 2.834) 4.440 1.513 ( -2.343 -4.966 3.146) 6.328 1.618 ( -0.868 -0.538 4.865) 4.971 1.712 ( -1.006 -1.802 2.157) 2.985 1.829 ( -2.838 -2.712 -1.275) 4.127 1.908 ( -0.183 -4.930 0.581) 4.967 2.061 ( -2.270 8.241 0.202) 8.551 2.181 ( 0.116 -3.485 -1.270) 3.711 2.270 ( 1.695 2.647 -1.079) 3.323 2.435 ( -0.373 3.058 0.938) 3.221 2.482 ( 0.248 2.309 1.134) 2.585 2.651 ( 2.459 4.051 -1.430) 4.950 2.689 ( 0.783 3.118 -1.417) 3.513 3.408 ( -0.178 -0.412 -0.704) 0.834 3.513 ( 0.700 -2.012 -0.674) 2.234 3.617 ( 0.508 -3.115 -0.907) 3.284 4.033 ( -0.238 -1.993 0.415) 2.049 4.417 ( -0.176 -1.175 0.133) 1.195 4.436 ( -0.574 -2.133 0.516) 2.269 5.018 ( 0.411 0.553 -0.726) 1.002 5.093 ( 1.066 -0.893 0.151) 1.399 5.162 ( -0.895 2.993 -1.004) 3.282 5.183 ( 0.295 -0.069 0.199) 0.362 5.238 ( 0.114 0.792 0.194) 0.823 5.287 ( -0.342 -0.419 0.568) 0.784 5.628 ( 0.717 0.792 0.419) 1.147 5.662 ( -0.554 0.379 -0.551) 0.869 5.733 ( 0.884 1.263 -2.235) 2.715 5.825 ( 0.722 0.600 -1.519) 1.785 5.974 ( 0.032 0.185 -0.708) 0.732 5.997 ( 0.142 -0.290 0.774) 0.839 7.729 ( 0.025 0.050 -0.071) 0.091 8.117 ( 0.364 -0.398 -0.238) 0.589 8.135 ( 0.042 1.803 -0.194) 1.814======================= Grid point 210 (82/231) =======================q-point: (-0.31 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( 0.855 3.087 -0.014) 3.203 1.464 ( -1.120 -4.142 0.131) 4.292 1.499 ( -0.261 -0.327 1.754) 1.803 1.574 ( 0.336 -2.554 1.252) 2.864 1.674 ( 1.948 -4.388 7.367) 8.793 1.747 ( 0.264 0.764 -0.531) 0.967 1.833 ( -2.055 0.511 -1.405) 2.541 1.920 ( 0.548 4.569 2.868) 5.422 2.009 ( 0.362 -4.052 0.759) 4.138 2.229 ( 0.220 -1.961 -1.391) 2.415 2.262 ( -0.554 -1.562 -0.622) 1.770 2.382 ( 0.959 1.552 2.665) 3.230 2.495 ( -0.421 -2.664 -0.171) 2.703 2.617 ( 1.203 0.156 -1.958) 2.304 2.662 ( -1.629 -0.818 -1.862) 2.605 3.373 ( 0.068 3.991 0.184) 3.996 3.497 ( 0.134 3.711 -0.819) 3.803 3.615 ( -0.307 3.183 -1.556) 3.556 4.042 ( 0.018 1.019 0.210) 1.041 4.424 ( 0.577 0.756 0.740) 1.205 4.458 ( -0.251 -0.144 0.101) 0.307 5.019 ( -0.215 -0.763 -1.391) 1.601 5.105 ( -0.859 1.746 -1.518) 2.468 5.120 ( 0.559 -0.765 1.120) 1.467 5.195 ( 0.447 -0.500 0.794) 1.039 5.230 ( -0.028 -0.444 -0.186) 0.482 5.304 ( -0.193 -1.219 0.252) 1.260 5.617 ( -0.003 0.639 0.311) 0.711 5.665 ( 0.001 -0.871 -0.373) 0.947 5.704 ( 0.317 1.411 -1.970) 2.444 5.804 ( 0.204 1.458 -0.965) 1.760 5.971 ( -0.169 -0.055 -0.668) 0.691 6.014 ( 0.009 -1.245 -0.141) 1.253 7.730 ( 0.013 -0.164 -0.114) 0.201 8.099 ( -0.063 1.651 -0.025) 1.652 8.131 ( -0.031 -0.842 -0.182) 0.862======================= Grid point 211 (83/231) =======================q-point: (-0.23 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( 1.211 9.536 5.708) 11.180 1.477 ( -1.528 1.912 1.332) 2.786 1.528 ( -1.859 -2.234 -3.988) 4.935 1.616 ( 1.258 -0.489 0.548) 1.457 1.633 ( -2.483 6.873 -2.595) 7.755 1.804 ( 3.449 -2.836 6.312) 7.732 1.825 ( 1.396 2.930 3.697) 4.920 1.850 ( 0.345 -0.310 -0.021) 0.464 2.065 ( 0.733 -0.841 -0.411) 1.189 2.269 ( 0.631 -1.573 0.347) 1.730 2.299 ( -1.014 -2.462 0.024) 2.663 2.408 ( 1.931 -2.586 3.107) 4.480 2.544 ( -0.732 -2.102 -0.778) 2.358 2.636 ( 0.471 -1.351 -2.668) 3.027 2.687 ( -2.607 -1.950 -1.231) 3.481 3.272 ( 0.662 6.359 0.800) 6.443 3.388 ( 0.148 7.139 -1.057) 7.218 3.502 ( -0.607 7.913 -2.083) 8.205 4.004 ( -0.071 2.573 -0.046) 2.574 4.398 ( 0.528 2.077 0.914) 2.329 4.446 ( -0.060 0.824 0.068) 0.829 5.039 ( -0.417 -1.552 -1.748) 2.374 5.073 ( -0.849 0.709 -2.252) 2.509 5.146 ( 0.403 -1.426 2.012) 2.499 5.194 ( 0.152 0.643 1.585) 1.717 5.260 ( 0.200 -2.194 -0.826) 2.353 5.324 ( -0.074 -0.892 0.297) 0.943 5.607 ( 0.028 0.351 0.467) 0.585 5.692 ( 0.502 -1.812 -0.386) 1.920 5.698 ( 0.172 -1.420 -1.799) 2.298 5.780 ( -0.107 0.888 -0.689) 1.129 5.975 ( -0.257 -0.724 -0.448) 0.889 6.037 ( -0.089 -1.220 -1.062) 1.620 7.734 ( -0.025 -0.354 -0.207) 0.411 8.074 ( 0.069 1.011 0.291) 1.054 8.152 ( -0.068 -1.545 -0.196) 1.559======================= Grid point 212 (84/231) =======================q-point: (-0.15 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 1.208 12.166 8.693) 15.002 1.386 ( -2.858 8.083 -0.800) 8.611 1.434 ( -2.394 9.647 -3.292) 10.470 1.556 ( -4.452 0.601 -6.102) 7.577 1.582 ( 0.882 4.207 4.502) 6.224 1.730 ( 3.877 3.931 5.929) 8.102 1.859 ( -1.541 -0.296 -1.741) 2.344 1.924 ( -0.298 -3.927 2.590) 4.714 2.025 ( 0.415 5.657 -1.569) 5.885 2.263 ( 1.066 2.500 1.390) 3.053 2.329 ( 0.669 0.593 1.377) 1.642 2.464 ( 2.960 -0.757 2.848) 4.177 2.541 ( -0.898 1.991 -0.447) 2.230 2.627 ( -0.271 3.298 -2.625) 4.224 2.670 ( -0.774 3.091 -0.263) 3.197 3.170 ( 1.045 4.338 0.185) 4.466 3.263 ( 0.427 5.154 -1.576) 5.406 3.335 ( -0.352 8.274 -1.879) 8.492 3.969 ( -0.317 0.478 -0.123) 0.587 4.370 ( 0.062 0.686 0.640) 0.940 4.448 ( 0.076 -1.468 0.389) 1.520 5.046 ( -0.529 0.675 -1.990) 2.167 5.071 ( -0.646 -0.734 -1.831) 2.076 5.176 ( -0.006 1.456 0.751) 1.638 5.184 ( 0.910 -1.986 2.503) 3.322 5.293 ( 0.207 -0.891 -0.637) 1.115 5.336 ( 0.128 -0.273 1.135) 1.174 5.612 ( 0.384 -1.029 0.489) 1.202 5.737 ( 1.695 -1.887 -0.560) 2.598 5.757 ( -0.079 -4.953 -2.095) 5.379 5.775 ( -1.006 -1.472 -0.914) 2.004 6.006 ( -0.020 -2.944 -0.019) 2.944 6.054 ( -0.215 -0.875 -1.424) 1.685 7.742 ( -0.085 -0.544 -0.328) 0.641 8.065 ( 0.481 0.050 0.662) 0.820 8.188 ( -0.072 -2.303 -0.394) 2.338======================= Grid point 213 (85/231) =======================q-point: (-0.08 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.849 ( 1.465 13.385 11.206) 17.518 1.122 ( -5.946 16.329 -0.487) 17.385 1.229 ( -3.830 10.446 -4.312) 11.932 1.469 ( -4.942 5.408 -7.681) 10.615 1.521 ( 1.451 3.621 6.666) 7.723 1.687 ( 5.985 7.422 7.578) 12.179 1.770 ( -2.439 9.029 -2.476) 9.675 1.914 ( -2.734 2.476 -1.011) 3.824 1.922 ( -0.372 4.434 0.477) 4.475 2.196 ( 1.714 6.470 0.772) 6.737 2.252 ( 0.823 8.083 0.055) 8.124 2.398 ( 2.400 9.179 1.081) 9.549 2.492 ( 0.214 3.931 -2.169) 4.494 2.518 ( -0.701 5.970 -1.026) 6.098 2.576 ( 0.824 5.341 2.020) 5.770 3.120 ( 0.826 1.368 -1.532) 2.214 3.189 ( -0.166 3.122 -2.504) 4.006 3.258 ( 1.169 -0.985 0.653) 1.662 3.994 ( -0.229 -3.193 0.495) 3.239 4.383 ( -0.352 -2.019 0.137) 2.054 4.505 ( 0.216 -4.178 0.515) 4.215 5.014 ( -0.769 2.240 -1.992) 3.095 5.058 ( -0.219 1.884 -0.690) 2.018 5.138 ( -0.230 2.547 -0.533) 2.613 5.229 ( 1.620 -0.825 3.220) 3.697 5.289 ( 0.267 0.685 0.006) 0.735 5.338 ( 0.383 0.452 1.427) 1.545 5.649 ( -0.187 -1.783 -0.335) 1.824 5.749 ( 1.483 -0.550 -3.338) 3.693 5.849 ( -0.351 -5.794 0.895) 5.873 5.873 ( -0.094 -7.121 -1.901) 7.371 6.071 ( -0.479 -1.978 -1.220) 2.373 6.090 ( -0.041 -5.353 0.224) 5.358 7.753 ( -0.148 -0.724 -0.442) 0.861 8.077 ( 0.786 -0.840 0.990) 1.518 8.234 ( -0.248 -2.681 -0.787) 2.805======================= Grid point 217 (86/231) =======================q-point: ( 0.23 0.23 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.425 ( 4.041 0.000 -0.214) 4.047 0.716 ( 1.635 0.000 3.764) 4.103 0.725 ( 13.106 0.000 6.339) 14.559 1.012 ( 0.674 0.000 -6.699) 6.733 1.052 ( 12.704 0.000 16.173) 20.566 1.284 ( -0.094 -0.000 -7.856) 7.857 1.569 ( 0.993 0.000 1.579) 1.866 1.582 ( 0.567 0.000 6.452) 6.476 1.588 ( 1.377 0.000 -0.249) 1.399 1.798 ( -0.770 -0.000 -0.666) 1.018 1.826 ( -2.512 -0.000 -1.206) 2.786 1.919 ( -0.613 -0.000 0.217) 0.650 2.028 ( -2.087 -0.000 -3.013) 3.665 2.497 ( -0.555 -0.000 0.311) 0.636 2.559 ( -2.877 -0.000 -0.754) 2.974 3.124 ( -1.589 -0.000 -2.473) 2.940 3.170 ( -1.115 -0.000 -0.591) 1.262 3.433 ( 0.447 0.000 -0.057) 0.451 4.310 ( -2.073 -0.000 -0.562) 2.148 4.517 ( -1.085 -0.000 0.915) 1.420 4.678 ( -0.667 -0.000 -0.744) 0.999 4.836 ( -1.497 -0.000 -0.015) 1.497 4.896 ( -1.177 -0.000 -0.039) 1.178 4.984 ( -1.546 -0.000 0.300) 1.575 5.096 ( 0.642 0.000 -0.338) 0.726 5.211 ( 2.559 0.000 0.236) 2.570 5.235 ( 2.288 0.000 -0.118) 2.291 5.445 ( 0.258 0.000 1.121) 1.150 6.016 ( 1.258 0.000 -3.565) 3.781 6.072 ( -2.184 -0.000 1.266) 2.524 6.132 ( -3.137 -0.000 -0.390) 3.161 6.215 ( -0.196 -0.000 1.098) 1.115 6.304 ( -2.266 -0.000 -0.281) 2.283 7.784 ( -0.095 -0.000 -0.235) 0.253 8.137 ( -0.702 -0.000 0.220) 0.736 8.307 ( -0.683 -0.000 -0.628) 0.928======================= Grid point 218 (87/231) =======================q-point: ( 0.31 0.23 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( 7.194 -4.124 3.698) 9.080 0.708 ( -1.385 -1.417 0.432) 2.028 0.846 ( 8.638 -1.301 14.776) 17.165 1.047 ( -0.671 -8.103 -8.595) 11.831 1.245 ( 0.427 -0.586 -4.587) 4.644 1.334 ( 5.466 -15.861 7.436) 18.351 1.593 ( -1.073 -1.439 4.407) 4.758 1.702 ( 2.436 -10.599 0.963) 10.918 1.736 ( -0.315 -8.434 -0.315) 8.446 1.811 ( 0.464 -4.776 -0.329) 4.810 1.882 ( -0.969 -6.924 -1.336) 7.118 2.028 ( -0.763 -6.165 -1.611) 6.418 2.084 ( 0.740 -12.195 -0.889) 12.250 2.500 ( -0.218 -0.325 1.120) 1.186 2.523 ( -2.209 1.854 -0.839) 3.003 3.115 ( -0.963 -0.148 -2.000) 2.225 3.151 ( -0.853 1.260 -0.808) 1.723 3.411 ( 0.423 2.405 -0.701) 2.540 4.220 ( -1.056 6.808 0.307) 6.896 4.481 ( -0.662 2.874 0.696) 3.031 4.652 ( -0.103 2.373 -0.199) 2.384 4.864 ( -0.915 -3.323 -0.046) 3.447 4.929 ( -0.745 -3.580 -0.111) 3.658 5.010 ( -0.986 -2.933 0.463) 3.128 5.143 ( 0.180 -3.836 -0.374) 3.858 5.266 ( 1.809 -2.209 0.252) 2.867 5.304 ( -0.767 -5.800 -1.456) 6.029 5.453 ( 0.229 -1.872 -0.504) 1.952 5.965 ( 0.613 5.050 -3.384) 6.110 6.032 ( -1.505 3.307 1.300) 3.859 6.082 ( -2.290 3.796 -0.438) 4.455 6.178 ( -0.055 3.662 1.077) 3.817 6.262 ( -1.838 3.263 -0.424) 3.769 7.777 ( -0.017 0.627 -0.134) 0.642 8.127 ( -0.688 0.606 -0.131) 0.927 8.294 ( -0.251 1.027 -0.154) 1.069======================= Grid point 219 (88/231) =======================q-point: ( 0.38 0.23 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( 2.400 -12.602 2.366) 13.044 0.788 ( -3.409 -7.932 1.082) 8.701 0.944 ( 3.807 -5.195 12.728) 14.264 1.103 ( -6.754 -2.371 -6.200) 9.470 1.385 ( -0.689 -10.757 -0.821) 10.810 1.625 ( -3.782 -10.148 -1.273) 10.904 1.642 ( 0.561 -4.123 6.612) 7.812 1.751 ( -0.498 -1.248 0.229) 1.363 1.888 ( 1.907 -4.257 0.463) 4.687 1.973 ( -2.007 -10.046 -2.167) 10.471 2.118 ( 3.350 -16.207 -1.103) 16.586 2.228 ( 0.952 -13.482 0.112) 13.516 2.370 ( 3.486 -13.943 -1.240) 14.425 2.503 ( 0.099 -2.663 -0.824) 2.789 2.521 ( 0.165 -1.692 2.266) 2.833 3.124 ( 0.031 -1.124 -1.616) 1.969 3.129 ( 0.065 -0.156 -0.979) 0.993 3.353 ( 0.463 3.569 -1.281) 3.820 4.088 ( -0.500 6.575 0.435) 6.609 4.417 ( -0.650 3.501 0.541) 3.601 4.589 ( -0.080 4.166 -0.111) 4.168 4.937 ( 0.139 -4.218 0.085) 4.221 5.005 ( 0.043 -4.200 -0.066) 4.201 5.076 ( 0.065 -4.177 0.385) 4.196 5.219 ( 0.087 -3.768 -0.099) 3.770 5.315 ( 0.572 -1.901 0.619) 2.080 5.328 ( -1.615 1.324 -1.048) 2.336 5.550 ( -0.170 -6.872 -2.293) 7.247 5.852 ( 0.597 6.051 -2.738) 6.669 5.941 ( -0.688 5.905 0.796) 5.998 5.981 ( -1.157 5.646 -0.705) 5.806 6.099 ( -0.240 4.223 0.872) 4.319 6.175 ( -1.059 4.925 -0.410) 5.054 7.763 ( 0.074 0.773 -0.079) 0.780 8.112 ( -0.368 0.608 -0.385) 0.808 8.269 ( 0.305 1.591 0.140) 1.626======================= Grid point 220 (89/231) =======================q-point: ( 0.46 0.23 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( -3.039 -13.436 -1.218) 13.829 0.950 ( -4.517 -10.246 1.582) 11.309 1.088 ( -2.408 -7.525 5.769) 9.784 1.136 ( -2.308 -4.410 5.131) 7.148 1.538 ( -3.372 -6.086 0.691) 6.992 1.677 ( -3.686 -0.852 -1.247) 3.983 1.706 ( -1.845 -3.257 0.818) 3.832 1.817 ( -1.742 -1.794 2.148) 3.297 1.951 ( 1.269 -3.468 -1.050) 3.839 2.161 ( -1.773 -8.888 -0.924) 9.110 2.351 ( 2.196 -5.996 -2.220) 6.760 2.454 ( 1.148 -9.828 -0.859) 9.932 2.533 ( 0.161 -1.188 0.952) 1.531 2.592 ( 3.583 -9.484 0.752) 10.166 2.693 ( 3.065 -10.364 0.092) 10.808 3.155 ( 1.104 -3.714 -1.334) 4.098 3.190 ( 0.974 -5.465 -0.868) 5.619 3.297 ( 0.632 1.813 -1.350) 2.347 3.981 ( -0.499 4.316 0.564) 4.382 4.356 ( -0.826 2.294 0.427) 2.475 4.499 ( -0.451 4.953 -0.201) 4.978 5.012 ( 1.028 -3.276 0.071) 3.434 5.066 ( 0.594 -1.747 -0.082) 1.847 5.159 ( 0.858 -4.054 0.294) 4.154 5.266 ( -0.085 0.005 -0.009) 0.085 5.282 ( -1.049 1.392 -0.691) 1.875 5.333 ( -0.836 0.237 0.129) 0.878 5.654 ( 0.691 -3.908 -1.146) 4.131 5.765 ( 0.414 2.814 -2.658) 3.893 5.822 ( 0.006 6.065 0.010) 6.065 5.876 ( 0.356 4.644 -0.360) 4.671 6.035 ( -0.607 2.381 0.277) 2.473 6.080 ( -0.301 4.436 -0.203) 4.450 7.750 ( 0.101 0.675 -0.054) 0.685 8.103 ( 0.046 0.177 -0.498) 0.531 8.239 ( 0.651 1.805 0.135) 1.923======================= Grid point 221 (90/231) =======================q-point: ( 0.54 0.23 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( -7.204 -10.423 -3.364) 13.109 1.128 ( -2.401 -10.176 3.307) 10.966 1.200 ( -4.436 -7.376 1.098) 8.676 1.264 ( 2.369 -6.257 10.974) 12.853 1.593 ( -4.604 -2.196 -1.113) 5.221 1.679 ( -1.905 -0.790 1.643) 2.637 1.754 ( -1.330 -2.750 0.767) 3.150 1.802 ( -2.085 1.157 0.707) 2.487 2.027 ( 0.735 -4.189 -1.674) 4.571 2.251 ( -1.693 -1.238 -0.763) 2.232 2.395 ( 1.765 1.054 -2.614) 3.326 2.515 ( -2.516 1.423 -1.698) 3.352 2.591 ( 2.216 -2.093 2.445) 3.908 2.738 ( 3.008 -3.219 -0.365) 4.421 2.817 ( 2.721 -1.107 -0.229) 2.947 3.265 ( -0.288 -6.540 -3.093) 7.241 3.314 ( 2.039 -4.043 1.226) 4.691 3.338 ( 1.438 -9.013 -0.784) 9.161 3.939 ( -0.457 -0.218 0.842) 0.982 4.337 ( -0.984 -0.778 0.148) 1.263 4.419 ( -0.723 2.666 -0.090) 2.764 5.064 ( 1.495 -1.552 -0.007) 2.155 5.072 ( 0.825 1.147 -0.278) 1.440 5.223 ( -0.450 -0.012 0.059) 0.454 5.227 ( 0.996 -0.099 0.099) 1.006 5.265 ( -0.601 1.720 -0.403) 1.866 5.310 ( -1.186 1.224 0.249) 1.722 5.688 ( 0.338 1.057 0.411) 1.184 5.728 ( -0.044 3.523 -1.093) 3.689 5.736 ( 1.310 0.207 -2.474) 2.807 5.830 ( 1.442 0.772 -0.642) 1.757 6.000 ( -0.220 1.393 -0.327) 1.448 6.019 ( -0.114 1.741 0.360) 1.782 7.739 ( 0.079 0.499 -0.042) 0.507 8.104 ( 0.271 -0.222 -0.502) 0.612 8.208 ( 0.622 1.914 -0.054) 2.013======================= Grid point 222 (91/231) =======================q-point: ( 0.62 0.23 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.239 ( -1.748 -7.206 0.507) 7.432 1.282 ( -2.239 -6.679 1.760) 7.261 1.348 ( -1.727 -8.996 2.552) 9.509 1.394 ( -0.287 -6.127 5.689) 8.366 1.597 ( -2.354 -0.829 -0.366) 2.523 1.695 ( -1.636 -1.134 3.105) 3.688 1.775 ( -2.598 -0.658 0.318) 2.699 1.822 ( 0.188 -3.896 0.208) 3.906 2.102 ( -1.316 -3.496 -3.253) 4.953 2.196 ( -0.620 5.317 0.157) 5.355 2.347 ( 1.954 3.992 -1.660) 4.744 2.464 ( -2.389 1.929 -1.435) 3.389 2.572 ( 1.339 4.436 2.503) 5.266 2.742 ( 2.337 3.251 -0.923) 4.109 2.780 ( 1.603 4.979 -0.396) 5.246 3.357 ( -0.961 -4.315 -2.452) 5.055 3.438 ( 1.763 -6.036 0.343) 6.297 3.512 ( 0.845 -7.949 -0.370) 8.003 3.977 ( -0.268 -3.284 0.809) 3.392 4.371 ( -0.861 -2.890 -0.241) 3.025 4.402 ( -0.352 -0.865 0.511) 1.065 5.045 ( 0.857 1.817 -0.208) 2.020 5.087 ( 1.386 -0.475 0.003) 1.465 5.192 ( -0.546 1.152 -0.308) 1.311 5.216 ( -0.651 2.799 -0.524) 2.921 5.249 ( 0.445 0.070 0.160) 0.478 5.288 ( -0.452 0.574 0.621) 0.958 5.654 ( 0.411 1.702 0.286) 1.775 5.679 ( -0.236 1.724 -0.599) 1.841 5.746 ( 1.006 -0.056 -2.522) 2.715 5.831 ( 0.998 0.024 -1.461) 1.769 5.982 ( 0.427 0.588 0.070) 0.730 6.002 ( -0.097 0.529 0.451) 0.701 7.732 ( 0.054 0.288 -0.038) 0.296 8.111 ( 0.217 -0.366 -0.428) 0.603 8.172 ( 0.316 2.027 -0.215) 2.063======================= Grid point 223 (92/231) =======================q-point: (-0.31 -0.77 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( -1.106 -5.621 1.171) 5.848 1.371 ( -0.076 -3.495 -1.158) 3.683 1.488 ( 1.908 -4.008 2.675) 5.183 1.504 ( -1.565 -5.505 3.609) 6.767 1.628 ( 0.215 -2.454 6.011) 6.496 1.706 ( -1.194 -1.819 1.174) 2.473 1.802 ( -2.328 -2.678 -1.928) 4.039 1.910 ( 0.134 -4.863 0.630) 4.906 2.034 ( -2.991 6.264 -1.343) 7.070 2.186 ( 1.184 -2.275 -0.165) 2.570 2.281 ( 1.238 3.180 -0.995) 3.555 2.431 ( -0.894 1.051 0.053) 1.380 2.486 ( 0.023 3.646 1.499) 3.942 2.668 ( 2.015 4.547 -1.297) 5.140 2.689 ( -0.107 3.927 -1.271) 4.129 3.403 ( -0.320 -0.809 -0.865) 1.227 3.519 ( 0.819 -1.585 -0.440) 1.838 3.617 ( 0.032 -2.744 -1.045) 2.937 4.033 ( -0.064 -2.038 0.503) 2.100 4.417 ( 0.035 -1.794 0.056) 1.796 4.433 ( -0.367 -1.950 0.591) 2.070 5.020 ( 0.456 0.932 -0.515) 1.159 5.103 ( 1.007 -0.741 0.539) 1.361 5.151 ( -0.981 2.775 -1.449) 3.281 5.185 ( 0.071 -0.023 0.027) 0.080 5.239 ( -0.056 0.788 0.151) 0.804 5.287 ( -0.039 -0.362 0.705) 0.793 5.632 ( -0.092 0.957 0.181) 0.978 5.660 ( 0.363 0.283 -0.166) 0.489 5.733 ( 0.278 1.373 -2.516) 2.880 5.827 ( 0.508 0.729 -1.556) 1.791 5.975 ( 0.373 0.442 -0.342) 0.672 5.999 ( -0.105 -0.275 0.581) 0.651 7.729 ( 0.036 0.063 -0.059) 0.094 8.118 ( 0.108 -0.451 -0.298) 0.551 8.135 ( 0.020 1.991 -0.198) 2.001======================= Grid point 224 (93/231) =======================q-point: (-0.23 0.23 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.396 ( 1.095 2.069 1.018) 2.552 1.440 ( -3.339 -4.554 -1.238) 5.782 1.499 ( -1.173 2.088 2.715) 3.621 1.585 ( 1.107 -3.275 2.320) 4.163 1.689 ( -1.375 -1.984 1.217) 2.703 1.759 ( 1.387 -0.290 2.117) 2.548 1.815 ( -0.838 -2.019 1.068) 2.433 1.928 ( -0.031 2.969 1.870) 3.509 2.015 ( 0.463 -4.030 1.658) 4.382 2.230 ( 0.568 -2.056 -1.267) 2.481 2.250 ( -1.447 -0.635 -1.056) 1.900 2.401 ( 1.750 0.876 3.198) 3.749 2.488 ( -0.866 -2.790 -0.566) 2.975 2.624 ( 1.086 0.398 -2.162) 2.452 2.644 ( -0.893 0.166 -2.102) 2.289 3.377 ( 0.618 3.642 0.514) 3.729 3.499 ( 0.700 3.883 -0.718) 4.010 3.607 ( -0.417 3.411 -1.887) 3.920 4.043 ( -0.058 1.050 0.204) 1.071 4.431 ( 0.487 0.654 0.950) 1.252 4.454 ( -0.608 -0.259 -0.067) 0.664 5.015 ( -0.029 -0.434 -1.310) 1.381 5.094 ( -0.694 1.970 -1.777) 2.742 5.129 ( 0.738 -0.842 1.438) 1.822 5.200 ( 0.177 -0.906 0.557) 1.078 5.229 ( 0.034 -0.220 -0.169) 0.279 5.302 ( -0.294 -1.186 0.259) 1.249 5.616 ( -0.258 0.593 0.182) 0.672 5.668 ( 0.727 -0.803 -0.128) 1.091 5.702 ( 0.310 1.333 -2.046) 2.461 5.805 ( 0.492 1.500 -0.864) 1.800 5.970 ( 0.073 0.128 -0.493) 0.515 6.012 ( -0.338 -1.129 -0.467) 1.268 7.729 ( 0.005 -0.141 -0.123) 0.188 8.100 ( 0.133 1.645 0.020) 1.651 8.130 ( 0.063 -0.841 -0.178) 0.862======================= Grid point 225 (94/231) =======================q-point: (-0.15 0.23 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.290 ( 0.862 9.198 6.599) 11.353 1.460 ( -2.405 2.031 0.200) 3.154 1.491 ( -4.334 -2.562 -3.964) 6.408 1.591 ( -3.687 6.479 -4.596) 8.758 1.637 ( 0.648 0.772 5.281) 5.377 1.810 ( -2.783 -3.969 -0.472) 4.871 1.842 ( 0.311 5.609 4.859) 7.427 1.868 ( 1.855 -1.247 2.779) 3.567 2.066 ( -0.330 -0.507 -0.340) 0.694 2.271 ( -0.498 -1.927 0.458) 2.042 2.295 ( 0.512 -3.679 0.462) 3.744 2.439 ( 2.934 -2.531 3.577) 5.274 2.540 ( 0.310 -2.256 -0.845) 2.429 2.638 ( 1.222 -0.881 -3.089) 3.437 2.666 ( -0.872 -2.176 -1.595) 2.835 3.285 ( 1.667 6.243 1.359) 6.603 3.392 ( 1.079 7.260 -1.089) 7.421 3.492 ( -0.451 7.936 -2.454) 8.319 4.002 ( -0.363 2.683 -0.096) 2.709 4.403 ( 0.054 2.214 1.076) 2.462 4.443 ( -0.606 0.600 -0.043) 0.854 5.033 ( -0.083 -1.549 -1.677) 2.285 5.062 ( -0.359 0.836 -2.155) 2.339 5.155 ( 0.581 -1.525 1.927) 2.525 5.200 ( 0.349 0.809 1.495) 1.735 5.259 ( -0.098 -2.289 -0.891) 2.458 5.323 ( -0.309 -1.070 0.308) 1.156 5.610 ( 0.390 0.099 0.517) 0.656 5.696 ( 0.620 -1.833 -0.613) 2.030 5.697 ( 0.557 -1.366 -1.493) 2.099 5.780 ( 0.607 1.224 -0.731) 1.549 5.973 ( -0.071 -0.758 -0.365) 0.844 6.032 ( -0.435 -1.201 -1.280) 1.808 7.734 ( -0.041 -0.321 -0.221) 0.392 8.077 ( 0.488 0.885 0.363) 1.074 8.152 ( 0.219 -1.500 -0.196) 1.528======================= Grid point 226 (95/231) =======================q-point: (-0.08 0.23 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 1.054 11.655 9.780) 15.251 1.347 ( -5.185 9.739 -1.620) 11.151 1.395 ( -5.018 9.517 -1.951) 10.934 1.492 ( -6.436 0.976 -7.109) 9.639 1.601 ( 0.702 3.396 6.014) 6.943 1.766 ( 1.402 2.669 4.413) 5.345 1.835 ( -2.703 0.033 -1.291) 2.995 1.911 ( -3.571 -2.263 1.445) 4.468 2.022 ( -0.141 4.787 -1.432) 4.999 2.273 ( 0.703 1.828 0.837) 2.130 2.347 ( 1.950 0.584 2.194) 2.993 2.495 ( 1.803 -1.274 2.767) 3.540 2.543 ( 1.860 3.222 -0.341) 3.736 2.621 ( 0.553 3.612 -3.097) 4.790 2.676 ( 2.296 2.026 -0.295) 3.076 3.185 ( 2.040 4.909 0.555) 5.344 3.268 ( 1.391 5.347 -1.578) 5.746 3.328 ( -0.206 7.855 -2.110) 8.136 3.964 ( -0.641 0.431 -0.130) 0.783 4.369 ( -0.455 0.843 0.669) 1.168 4.448 ( -0.389 -1.737 0.369) 1.818 5.039 ( -0.011 0.941 -1.949) 2.165 5.064 ( -0.148 -0.900 -1.497) 1.753 5.177 ( 0.314 1.507 0.196) 1.552 5.200 ( 1.063 -2.183 2.784) 3.694 5.292 ( -0.113 -1.005 -0.610) 1.181 5.338 ( -0.264 -0.544 1.056) 1.216 5.620 ( 1.070 -0.894 0.636) 1.532 5.747 ( 0.291 -3.070 -1.421) 3.395 5.757 ( 0.983 -4.539 -0.787) 4.711 5.765 ( -0.099 -0.274 -1.559) 1.586 6.007 ( 0.077 -3.048 0.056) 3.049 6.047 ( -0.669 -0.847 -1.511) 1.857 7.741 ( -0.081 -0.506 -0.324) 0.606 8.073 ( 0.849 -0.059 0.707) 1.107 8.188 ( 0.254 -2.148 -0.427) 2.205======================= Grid point 231 (96/231) =======================q-point: ( 0.31 0.31 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.454 ( 2.785 0.000 1.464) 3.146 0.755 ( 2.963 0.000 9.256) 9.718 0.830 ( 7.962 0.000 -0.606) 7.985 1.021 ( 3.892 0.000 -0.130) 3.895 1.175 ( 5.979 0.000 2.094) 6.335 1.274 ( 4.160 0.000 -1.444) 4.403 1.565 ( -1.338 -0.000 0.365) 1.387 1.606 ( 1.066 0.000 6.347) 6.436 1.614 ( 3.388 0.000 0.050) 3.388 1.789 ( -0.932 -0.000 -0.461) 1.039 1.803 ( -2.063 -0.000 -0.735) 2.191 1.913 ( -0.783 -0.000 0.058) 0.785 2.001 ( -2.350 -0.000 -2.380) 3.344 2.499 ( 0.072 0.000 1.417) 1.419 2.529 ( -3.048 -0.000 -0.630) 3.112 3.108 ( -0.751 -0.000 -1.663) 1.825 3.158 ( -1.234 -0.000 -0.854) 1.500 3.435 ( 0.185 0.000 -1.323) 1.335 4.287 ( -2.415 -0.000 -1.125) 2.664 4.510 ( -0.956 -0.000 0.923) 1.328 4.675 ( 0.087 0.000 0.280) 0.293 4.823 ( -1.317 -0.000 -0.120) 1.322 4.886 ( -0.993 -0.000 0.001) 0.993 4.971 ( -1.376 -0.000 0.233) 1.395 5.101 ( 0.645 0.000 -0.440) 0.781 5.233 ( 2.149 0.000 0.302) 2.170 5.255 ( 1.987 0.000 -0.137) 1.992 5.442 ( -0.868 -0.000 -0.888) 1.241 6.010 ( -0.781 -0.000 -4.395) 4.464 6.059 ( -1.121 -0.000 1.433) 1.820 6.108 ( -1.903 -0.000 -0.097) 1.905 6.217 ( -0.084 -0.000 1.249) 1.252 6.284 ( -1.971 -0.000 -0.586) 2.057 7.783 ( -0.048 -0.000 -0.042) 0.064 8.128 ( -1.027 -0.000 -0.642) 1.211 8.303 ( -0.129 -0.000 0.371) 0.393======================= Grid point 232 (97/231) =======================q-point: ( 0.38 0.31 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( 2.318 -4.257 1.439) 5.056 0.724 ( 3.038 0.361 6.953) 7.596 0.958 ( 8.629 1.874 10.132) 13.440 1.010 ( -2.883 -5.805 -6.258) 9.010 1.228 ( -0.697 -3.290 -6.955) 7.726 1.391 ( 3.227 -11.086 5.345) 12.723 1.598 ( -0.153 -1.067 5.234) 5.343 1.723 ( 1.303 -10.023 -0.197) 10.109 1.725 ( -1.240 -5.237 -0.967) 5.468 1.824 ( 2.021 -9.574 0.422) 9.794 1.872 ( -0.570 -5.709 -0.232) 5.742 2.017 ( -1.016 -7.043 -1.005) 7.187 2.090 ( 1.119 -14.278 -0.756) 14.342 2.487 ( -2.750 0.835 -1.765) 3.373 2.518 ( 0.911 -0.018 3.078) 3.210 3.107 ( -0.080 -0.341 -1.247) 1.295 3.141 ( -0.843 0.952 -1.005) 1.620 3.410 ( 0.077 2.339 -1.965) 3.056 4.209 ( -1.440 6.014 -0.665) 6.220 4.477 ( -0.586 2.799 0.884) 2.993 4.652 ( 0.156 2.434 0.278) 2.455 4.858 ( -0.598 -3.777 0.193) 3.829 4.922 ( -0.564 -3.860 -0.071) 3.902 5.002 ( -0.874 -3.390 0.455) 3.531 5.143 ( 0.035 -3.711 -0.645) 3.767 5.280 ( 1.277 -1.735 -0.066) 2.155 5.299 ( -0.052 -4.061 -0.651) 4.113 5.448 ( -0.560 -2.264 -1.919) 3.020 5.954 ( -1.145 4.506 -4.044) 6.162 6.027 ( -0.257 3.198 1.120) 3.398 6.064 ( -1.456 3.755 -0.186) 4.032 6.181 ( 0.037 3.665 1.260) 3.875 6.246 ( -1.464 3.011 -0.666) 3.414 7.777 ( 0.045 0.589 0.041) 0.592 8.118 ( -0.936 0.421 -0.954) 1.401 8.295 ( 0.238 0.928 0.733) 1.206======================= Grid point 233 (98/231) =======================q-point: ( 0.46 0.31 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.637 ( -3.663 -10.821 -3.933) 12.082 0.813 ( 5.505 -5.447 9.483) 12.244 0.956 ( -5.808 -3.390 -2.798) 7.284 1.085 ( 3.786 -2.283 10.751) 11.625 1.375 ( -0.772 -10.023 -2.049) 10.260 1.563 ( -6.414 -6.655 -4.834) 10.431 1.674 ( 1.385 -3.540 7.161) 8.108 1.743 ( -1.340 -3.072 -0.389) 3.374 1.907 ( 2.072 -3.220 0.602) 3.877 1.952 ( -1.596 -10.266 -1.381) 10.481 2.141 ( 2.194 -16.538 -1.720) 16.771 2.233 ( 0.139 -13.626 0.038) 13.627 2.400 ( 3.833 -14.074 -1.162) 14.633 2.494 ( -1.365 -5.736 -1.520) 6.089 2.535 ( 1.166 -0.650 3.962) 4.181 3.122 ( 0.252 -0.984 -1.419) 1.745 3.129 ( 0.428 -1.070 -0.575) 1.287 3.351 ( -0.042 3.425 -2.407) 4.187 4.083 ( -0.658 6.324 -0.052) 6.358 4.413 ( -0.443 3.598 0.786) 3.709 4.588 ( -0.064 4.325 -0.130) 4.328 4.940 ( 0.420 -4.598 0.636) 4.661 5.006 ( 0.117 -4.527 0.027) 4.529 5.078 ( 0.082 -4.579 0.560) 4.614 5.218 ( -0.255 -3.876 -0.561) 3.925 5.308 ( -1.577 0.450 -1.926) 2.529 5.321 ( 0.124 -0.568 0.220) 0.622 5.545 ( 0.303 -6.941 -1.994) 7.228 5.846 ( -0.510 5.506 -3.186) 6.382 5.941 ( 0.229 5.978 0.851) 6.043 5.970 ( -0.838 5.123 -0.590) 5.224 6.100 ( -0.080 4.477 1.137) 4.620 6.166 ( -0.705 4.610 -0.587) 4.700 7.764 ( 0.131 0.767 0.064) 0.781 8.106 ( -0.599 0.331 -1.025) 1.233 8.274 ( 0.549 1.521 0.723) 1.772======================= Grid point 234 (99/231) =======================q-point: ( 0.54 0.31 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( -6.977 -12.791 -5.267) 15.493 0.958 ( 1.986 -7.519 4.410) 8.940 1.044 ( -4.011 -7.663 2.193) 8.923 1.189 ( 4.604 -4.795 13.833) 15.347 1.508 ( -3.117 -4.884 -0.734) 5.840 1.630 ( -4.339 -3.972 -4.100) 7.170 1.708 ( 0.291 -1.496 2.738) 3.133 1.801 ( -2.392 -1.221 0.826) 2.810 1.958 ( 0.882 -3.112 -0.914) 3.361 2.147 ( -0.874 -8.810 -0.847) 8.894 2.361 ( 1.134 -5.550 -2.600) 6.233 2.456 ( -0.047 -9.436 -1.915) 9.628 2.539 ( 0.518 -1.483 2.069) 2.598 2.620 ( 2.122 -9.363 0.664) 9.624 2.715 ( 1.724 -10.853 0.134) 10.990 3.160 ( 0.590 -3.856 -1.377) 4.137 3.198 ( 1.062 -5.698 -0.345) 5.807 3.297 ( 0.144 1.281 -1.925) 2.317 3.978 ( -0.320 4.245 0.599) 4.299 4.351 ( -0.478 2.488 0.520) 2.586 4.495 ( -0.396 5.133 -0.411) 5.165 5.023 ( 1.126 -3.501 0.702) 3.744 5.071 ( 0.580 -1.883 0.139) 1.975 5.166 ( 0.433 -4.221 0.349) 4.258 5.263 ( -0.609 1.655 -1.006) 2.030 5.270 ( -0.919 -0.691 -0.843) 1.426 5.325 ( -0.817 0.588 -0.257) 1.039 5.657 ( 0.644 -4.240 -1.325) 4.488 5.759 ( -0.242 2.817 -2.806) 3.984 5.826 ( 0.647 5.951 0.513) 6.008 5.878 ( 0.405 3.955 -0.366) 3.992 6.032 ( -0.245 2.615 0.574) 2.689 6.078 ( -0.180 4.174 -0.294) 4.188 7.751 ( 0.136 0.698 0.039) 0.712 8.100 ( -0.283 -0.077 -0.931) 0.976 8.246 ( 0.586 1.829 0.408) 1.964======================= Grid point 235 (100/231) =======================q-point: (-0.38 -0.69 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( -4.944 -12.185 -3.490) 13.605 1.133 ( 1.315 -9.265 3.921) 10.146 1.181 ( -0.994 -7.509 4.521) 8.821 1.312 ( 2.843 -4.592 10.056) 11.415 1.555 ( -3.081 -2.474 -0.909) 4.055 1.663 ( -1.558 -1.569 -1.075) 2.458 1.751 ( -0.450 -2.265 2.312) 3.268 1.785 ( -1.714 0.581 -0.437) 1.862 2.026 ( 0.038 -3.736 -2.117) 4.294 2.239 ( -0.683 -1.145 -0.751) 1.531 2.402 ( 1.161 0.723 -2.799) 3.116 2.488 ( -2.361 1.691 -2.206) 3.647 2.613 ( 1.360 -1.961 2.683) 3.591 2.757 ( 1.328 -3.191 -0.271) 3.467 2.834 ( 1.067 -1.063 -0.231) 1.523 3.251 ( -1.112 -5.354 -3.071) 6.272 3.332 ( 1.371 -5.041 0.123) 5.226 3.348 ( 0.993 -9.154 0.247) 9.211 3.938 ( -0.063 -0.220 1.059) 1.083 4.330 ( -0.519 -0.613 0.041) 0.804 4.414 ( -0.335 2.590 -0.177) 2.617 5.077 ( 1.347 -1.562 0.567) 2.139 5.080 ( 0.829 1.091 0.032) 1.371 5.213 ( -1.302 0.948 -0.897) 1.843 5.231 ( -0.319 -0.779 -0.364) 0.917 5.265 ( 0.690 1.346 0.263) 1.535 5.301 ( -0.859 1.018 0.042) 1.333 5.684 ( -0.955 1.011 -0.608) 1.518 5.724 ( -0.057 2.324 -2.027) 3.084 5.748 ( 1.833 1.365 -0.638) 2.373 5.838 ( 0.773 0.768 -0.740) 1.317 6.000 ( 0.335 1.082 -0.005) 1.133 6.019 ( -0.131 1.786 0.413) 1.838 7.740 ( 0.102 0.524 0.010) 0.534 8.103 ( -0.187 -0.376 -0.760) 0.868 8.212 ( 0.346 2.015 0.022) 2.045======================= Grid point 236 (101/231) =======================q-point: (-0.31 -0.69 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( -0.437 -9.090 -1.010) 9.157 1.280 ( 0.544 -5.659 3.014) 6.434 1.351 ( 1.023 -9.518 5.315) 10.949 1.410 ( 1.094 -4.615 4.852) 6.785 1.583 ( -0.866 -1.889 0.512) 2.140 1.688 ( -0.883 -1.452 1.848) 2.511 1.756 ( -1.688 -0.267 -0.283) 1.733 1.824 ( 0.044 -4.029 0.051) 4.029 2.073 ( -2.595 -0.987 -4.127) 4.974 2.202 ( 1.131 3.187 0.798) 3.475 2.357 ( 1.017 3.672 -1.655) 4.155 2.440 ( -1.841 1.617 -2.067) 3.206 2.587 ( 0.658 4.754 2.660) 5.487 2.754 ( 0.813 3.077 -0.703) 3.260 2.787 ( 0.170 5.314 -0.413) 5.333 3.341 ( -1.307 -4.858 -2.411) 5.579 3.451 ( 0.896 -5.674 -0.233) 5.749 3.517 ( 0.406 -7.600 0.046) 7.611 3.979 ( 0.083 -3.227 0.933) 3.360 4.365 ( -0.402 -2.901 -0.352) 2.950 4.403 ( 0.200 -1.052 0.547) 1.202 5.052 ( 0.820 1.917 0.115) 2.088 5.099 ( 1.099 -0.379 0.401) 1.230 5.182 ( -1.151 1.308 -0.852) 1.939 5.208 ( -0.713 2.115 -0.819) 2.377 5.251 ( -0.157 0.693 0.158) 0.728 5.291 ( 0.563 0.292 0.853) 1.063 5.653 ( -0.761 1.391 -0.118) 1.590 5.680 ( 0.575 1.678 -0.453) 1.830 5.745 ( 0.191 0.325 -2.447) 2.476 5.834 ( 0.348 0.174 -1.572) 1.619 5.987 ( 0.571 0.593 0.425) 0.926 6.003 ( 0.104 0.491 0.412) 0.649 7.732 ( 0.074 0.307 -0.013) 0.316 8.109 ( -0.237 -0.459 -0.548) 0.753 8.174 ( 0.053 2.114 -0.215) 2.125======================= Grid point 237 (102/231) =======================q-point: (-0.23 -0.69 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( -1.519 -4.147 1.456) 4.650 1.379 ( 1.420 -3.619 -0.171) 3.891 1.496 ( -1.455 -5.494 3.760) 6.815 1.519 ( 2.952 -3.221 1.897) 4.763 1.650 ( 1.432 -3.373 6.884) 7.798 1.697 ( -0.785 -2.745 -0.108) 2.857 1.778 ( -1.790 -2.000 -2.554) 3.705 1.913 ( 0.131 -4.855 0.671) 4.903 2.009 ( -1.785 3.949 -0.704) 4.390 2.197 ( 1.017 -1.121 -0.017) 1.514 2.288 ( 0.703 3.746 -0.831) 3.901 2.419 ( -1.368 -0.504 -1.017) 1.778 2.490 ( -0.117 4.653 1.843) 5.006 2.676 ( -0.372 5.179 -1.116) 5.311 2.685 ( 0.671 3.632 -1.318) 3.921 3.398 ( -0.372 -1.498 -0.807) 1.742 3.524 ( 0.561 -1.503 -0.680) 1.743 3.614 ( -0.070 -2.417 -0.896) 2.579 4.034 ( 0.075 -1.971 0.530) 2.043 4.416 ( -0.145 -2.334 -0.302) 2.357 4.434 ( 0.217 -1.459 0.929) 1.743 5.024 ( 0.480 1.270 -0.274) 1.385 5.112 ( 0.609 -0.436 0.603) 0.962 5.139 ( -0.709 2.191 -1.424) 2.707 5.184 ( -0.161 0.030 -0.298) 0.340 5.238 ( -0.240 0.520 0.095) 0.581 5.290 ( 0.259 0.020 0.822) 0.862 5.628 ( -0.714 0.889 0.066) 1.142 5.666 ( 1.009 0.197 -0.122) 1.035 5.727 ( -0.235 1.224 -2.504) 2.797 5.826 ( 0.205 0.621 -1.590) 1.719 5.979 ( 0.668 0.659 0.093) 0.943 5.998 ( -0.319 -0.087 0.220) 0.398 7.729 ( 0.044 0.086 -0.053) 0.110 8.117 ( -0.204 -0.567 -0.324) 0.684 8.135 ( 0.043 1.970 -0.201) 1.981======================= Grid point 238 (103/231) =======================q-point: (-0.15 0.31 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.402 ( -2.963 -2.939 -0.254) 4.181 1.414 ( 0.372 0.846 1.981) 2.186 1.490 ( -1.936 3.376 1.925) 4.341 1.598 ( 0.294 -3.183 1.912) 3.725 1.667 ( -2.951 -0.079 -0.989) 3.113 1.756 ( -2.101 0.822 -0.183) 2.263 1.838 ( 3.057 -4.806 5.346) 7.812 1.928 ( -0.703 2.757 0.641) 2.917 2.025 ( 0.515 -3.714 2.933) 4.761 2.232 ( -0.244 -2.562 -1.086) 2.793 2.236 ( -0.390 0.487 -1.048) 1.220 2.425 ( 1.792 -0.249 2.893) 3.412 2.476 ( -1.446 -3.330 -0.927) 3.747 2.618 ( -0.645 0.179 -2.199) 2.298 2.646 ( 1.814 0.663 -2.169) 2.905 3.385 ( 0.980 2.967 0.704) 3.203 3.505 ( 0.938 3.756 -0.926) 3.981 3.600 ( -0.123 3.608 -1.810) 4.038 4.042 ( -0.173 1.194 0.201) 1.224 4.436 ( 0.208 0.589 0.869) 1.070 4.447 ( -0.828 -0.038 -0.016) 0.829 5.013 ( 0.191 -0.173 -1.111) 1.141 5.085 ( -0.359 1.868 -1.754) 2.588 5.139 ( 0.841 -0.790 1.509) 1.900 5.200 ( -0.210 -1.475 0.058) 1.491 5.230 ( 0.147 0.098 -0.015) 0.177 5.300 ( -0.375 -1.033 0.327) 1.146 5.614 ( -0.293 0.310 0.139) 0.448 5.676 ( 0.955 -0.637 -0.284) 1.183 5.701 ( 0.562 1.009 -1.828) 2.162 5.809 ( 0.671 1.264 -0.936) 1.710 5.970 ( 0.319 0.397 -0.209) 0.550 6.006 ( -0.571 -1.025 -0.721) 1.378 7.729 ( 0.000 -0.111 -0.124) 0.166 8.102 ( 0.302 1.472 0.023) 1.503 8.131 ( 0.157 -0.937 -0.175) 0.966======================= Grid point 239 (104/231) =======================q-point: (-0.08 0.31 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.310 ( 0.318 8.788 6.522) 10.948 1.434 ( -5.830 -1.753 -3.438) 6.992 1.438 ( -3.248 2.602 0.589) 4.204 1.542 ( -5.344 7.426 -3.363) 9.747 1.654 ( 0.193 0.746 6.070) 6.119 1.775 ( -4.226 -3.110 -1.757) 5.533 1.845 ( -1.307 4.397 2.900) 5.426 1.883 ( -0.313 0.379 2.905) 2.946 2.062 ( -0.246 0.310 0.083) 0.404 2.267 ( -0.351 -2.473 0.361) 2.523 2.305 ( 0.834 -4.571 0.724) 4.702 2.471 ( 2.471 -2.469 2.847) 4.506 2.543 ( 0.281 -3.238 -0.675) 3.319 2.639 ( 1.026 -1.212 -2.856) 3.268 2.673 ( 2.859 -2.270 -1.797) 4.069 3.307 ( 2.401 5.887 1.749) 6.594 3.401 ( 1.521 7.203 -1.448) 7.503 3.484 ( -0.018 8.030 -2.385) 8.377 3.997 ( -0.613 2.848 -0.045) 2.913 4.403 ( -0.462 2.432 1.078) 2.700 4.436 ( -1.042 0.401 -0.111) 1.122 5.030 ( 0.239 -1.582 -1.476) 2.177 5.057 ( 0.227 0.887 -1.902) 2.111 5.165 ( 0.737 -1.526 1.738) 2.427 5.207 ( 0.561 0.725 1.379) 1.656 5.255 ( -0.384 -2.321 -0.946) 2.536 5.320 ( -0.606 -1.171 0.280) 1.348 5.616 ( 0.670 -0.420 0.509) 0.940 5.698 ( 0.410 -1.533 -1.414) 2.126 5.702 ( 1.138 -1.275 -0.702) 1.848 5.787 ( 1.266 1.312 -0.878) 2.023 5.973 ( 0.123 -0.758 -0.186) 0.790 6.024 ( -0.661 -1.137 -1.320) 1.863 7.733 ( -0.037 -0.290 -0.206) 0.358 8.084 ( 0.804 0.709 0.328) 1.121 8.155 ( 0.462 -1.516 -0.204) 1.598======================= Grid point 245 (105/231) =======================q-point: ( 0.38 0.38 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.487 ( 2.828 0.000 5.630) 6.301 0.802 ( 1.848 0.000 11.213) 11.364 0.859 ( 1.251 0.000 -7.180) 7.288 1.082 ( 7.076 0.000 6.644) 9.706 1.154 ( -3.184 -0.000 -12.766) 13.157 1.366 ( 9.976 0.000 8.327) 12.995 1.553 ( -1.372 -0.000 -0.001) 1.372 1.622 ( -0.652 -0.000 4.089) 4.141 1.640 ( 2.184 0.000 -0.921) 2.370 1.782 ( -0.448 -0.000 0.177) 0.482 1.787 ( -1.365 -0.000 0.604) 1.493 1.905 ( -0.832 -0.000 -0.182) 0.852 1.979 ( -1.459 -0.000 -1.303) 1.956 2.481 ( -3.272 -0.000 -2.359) 4.034 2.528 ( 1.512 0.000 4.274) 4.533 3.103 ( 0.370 0.000 -0.843) 0.921 3.146 ( -1.007 -0.000 -1.038) 1.446 3.430 ( -0.132 -0.000 -2.600) 2.603 4.263 ( -2.313 -0.000 -1.940) 3.019 4.504 ( -0.684 -0.000 1.061) 1.262 4.679 ( 0.501 0.000 1.157) 1.261 4.812 ( -0.908 -0.000 -0.212) 0.932 4.879 ( -0.617 -0.000 0.045) 0.619 4.961 ( -1.013 -0.000 0.136) 1.022 5.105 ( 0.479 0.000 -0.494) 0.688 5.250 ( 1.376 0.000 0.324) 1.414 5.269 ( 1.362 0.000 -0.141) 1.369 5.426 ( -1.768 -0.000 -2.801) 3.312 5.984 ( -2.514 -0.000 -4.821) 5.437 6.058 ( 0.168 0.000 0.967) 0.982 6.098 ( -0.686 -0.000 0.313) 0.754 6.219 ( -0.030 -0.000 1.220) 1.221 6.267 ( -1.311 -0.000 -0.826) 1.550 7.783 ( 0.037 0.000 0.136) 0.141 8.116 ( -1.092 -0.000 -1.388) 1.766 8.306 ( 0.395 0.000 1.234) 1.296======================= Grid point 246 (106/231) =======================q-point: ( 0.46 0.38 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.503 ( -0.472 -1.566 2.312) 2.832 0.776 ( 2.992 -1.599 8.441) 9.097 0.950 ( -4.041 3.008 -4.847) 6.991 1.059 ( 5.998 -5.378 4.916) 9.437 1.213 ( 1.284 -4.559 -3.292) 5.768 1.412 ( -0.273 -3.923 2.379) 4.596 1.613 ( 0.531 -2.521 5.353) 5.941 1.703 ( -2.012 -3.232 -1.941) 4.273 1.732 ( 0.422 -10.798 -0.871) 10.841 1.837 ( 0.410 -11.256 -0.319) 11.268 1.876 ( 1.155 -5.190 1.874) 5.637 2.007 ( -0.700 -7.477 -0.465) 7.524 2.099 ( 1.174 -15.991 -0.518) 16.042 2.456 ( -2.570 0.479 -2.870) 3.882 2.542 ( 1.985 -0.029 5.061) 5.436 3.108 ( 0.860 -0.359 -0.648) 1.135 3.133 ( -0.450 0.662 -0.940) 1.234 3.403 ( -0.355 2.322 -3.207) 3.975 4.193 ( -1.525 5.323 -1.479) 5.731 4.475 ( -0.374 2.720 1.101) 2.958 4.655 ( 0.312 2.688 0.626) 2.778 4.855 ( -0.121 -4.235 0.515) 4.268 4.919 ( -0.238 -4.057 -0.027) 4.064 4.996 ( -0.631 -3.751 0.397) 3.824 5.141 ( -0.021 -3.408 -0.785) 3.497 5.286 ( 0.145 -1.329 -0.627) 1.477 5.299 ( 0.264 -2.676 -0.315) 2.707 5.436 ( -0.924 -3.244 -2.919) 4.461 5.929 ( -2.210 3.802 -4.545) 6.324 6.032 ( 0.787 3.068 0.792) 3.265 6.054 ( -0.753 4.083 0.205) 4.157 6.184 ( -0.054 3.635 1.198) 3.827 6.234 ( -0.663 2.837 -0.818) 3.026 7.778 ( 0.120 0.561 0.191) 0.604 8.107 ( -0.919 0.275 -1.527) 1.803 8.301 ( 0.606 0.920 1.360) 1.750======================= Grid point 247 (107/231) =======================q-point: (-0.46 -0.62 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( -5.168 -8.811 -3.033) 10.655 0.877 ( -7.680 -3.190 -4.495) 9.453 0.902 ( 7.856 -5.092 11.915) 15.153 1.170 ( 7.436 -1.634 12.770) 14.868 1.361 ( -1.062 -10.093 -3.888) 10.868 1.495 ( -5.978 -5.934 -4.655) 9.624 1.698 ( 0.907 -1.171 4.093) 4.353 1.725 ( -2.320 -4.738 -0.300) 5.284 1.923 ( 0.582 -1.343 0.591) 1.578 1.943 ( 0.590 -11.624 -0.126) 11.640 2.148 ( 0.477 -16.538 -2.291) 16.702 2.232 ( -0.491 -13.632 -0.015) 13.641 2.431 ( 3.340 -14.241 -0.992) 14.662 2.473 ( -2.322 -7.063 -2.000) 7.699 2.557 ( 1.392 -0.217 4.968) 5.164 3.121 ( 0.135 -0.778 -1.517) 1.710 3.136 ( 1.229 -1.640 0.181) 2.057 3.341 ( -0.587 3.285 -3.445) 4.797 4.076 ( -0.705 5.911 -0.404) 5.967 4.413 ( -0.128 3.661 1.003) 3.798 4.587 ( -0.070 4.553 -0.197) 4.558 4.947 ( 0.676 -4.900 1.175) 5.084 5.007 ( 0.212 -4.752 0.133) 4.758 5.080 ( 0.077 -4.892 0.715) 4.944 5.212 ( -0.529 -3.893 -1.041) 4.064 5.289 ( -1.647 1.000 -2.488) 3.147 5.321 ( -0.116 -0.617 -0.292) 0.693 5.546 ( 0.857 -7.236 -1.736) 7.491 5.830 ( -1.225 4.821 -3.596) 6.138 5.945 ( 0.061 6.220 0.671) 6.256 5.966 ( 0.336 4.738 -0.156) 4.753 6.102 ( -0.086 4.579 1.119) 4.714 6.161 ( -0.118 4.466 -0.659) 4.515 7.766 ( 0.175 0.774 0.172) 0.812 8.097 ( -0.656 0.133 -1.405) 1.556 8.282 ( 0.632 1.585 1.060) 2.008======================= Grid point 248 (108/231) =======================q-point: (-0.38 -0.62 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( -5.604 -12.858 -4.356) 14.687 0.967 ( -1.034 -8.589 2.271) 8.944 1.065 ( 5.095 -6.666 8.211) 11.740 1.264 ( 5.178 -3.620 11.696) 13.293 1.482 ( -2.025 -4.079 -0.713) 4.609 1.586 ( -2.922 -5.750 -5.702) 8.609 1.718 ( 0.636 -1.468 2.220) 2.737 1.781 ( -2.101 -1.007 0.454) 2.374 1.962 ( 0.385 -2.806 -0.749) 2.929 2.142 ( 0.101 -8.440 -0.611) 8.463 2.360 ( 0.124 -5.624 -2.396) 6.114 2.444 ( -1.223 -8.254 -3.030) 8.877 2.550 ( 0.581 -2.450 2.788) 3.757 2.633 ( 0.364 -9.039 0.521) 9.061 2.723 ( 0.084 -10.986 0.081) 10.987 3.160 ( 0.103 -3.552 -1.391) 3.816 3.207 ( 0.967 -5.645 0.059) 5.727 3.291 ( -0.371 0.561 -2.382) 2.475 3.978 ( -0.113 4.007 0.608) 4.055 4.350 ( -0.020 2.661 0.605) 2.729 4.490 ( -0.277 5.207 -0.569) 5.245 5.035 ( 1.075 -3.633 1.269) 3.996 5.077 ( 0.485 -2.045 0.352) 2.131 5.168 ( -0.116 -3.914 0.297) 3.927 5.247 ( -1.721 1.490 -2.345) 3.268 5.266 ( 0.054 -1.411 -0.323) 1.449 5.318 ( -0.634 0.871 -0.531) 1.201 5.660 ( 0.529 -3.710 -1.323) 3.974 5.749 ( -0.416 2.509 -3.020) 3.948 5.834 ( 0.598 5.433 0.828) 5.528 5.882 ( 0.569 3.840 -0.363) 3.899 6.033 ( 0.130 2.634 0.678) 2.723 6.076 ( -0.005 4.094 -0.322) 4.107 7.752 ( 0.158 0.729 0.101) 0.752 8.094 ( -0.538 -0.233 -1.152) 1.293 8.251 ( 0.383 1.964 0.528) 2.070======================= Grid point 249 (109/231) =======================q-point: (-0.31 -0.62 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( -2.326 -13.636 -3.288) 14.218 1.163 ( 3.226 -10.533 5.251) 12.203 1.208 ( 4.121 -5.512 6.484) 9.456 1.359 ( 3.037 -3.089 7.486) 8.649 1.537 ( -0.861 -2.880 1.173) 3.226 1.647 ( -0.789 -2.656 -3.890) 4.776 1.755 ( 0.054 -0.750 2.868) 2.965 1.771 ( -0.952 -0.518 -0.970) 1.454 2.020 ( -0.174 -3.001 -2.102) 3.668 2.235 ( 0.110 -1.309 -0.593) 1.441 2.400 ( -0.299 0.601 -2.913) 2.990 2.465 ( -1.382 1.559 -2.318) 3.116 2.626 ( 0.286 -1.931 2.432) 3.118 2.761 ( -0.368 -3.239 -0.162) 3.264 2.835 ( -0.671 -1.119 -0.260) 1.330 3.233 ( -1.449 -4.762 -2.644) 5.636 3.336 ( -0.061 -5.931 -1.359) 6.085 3.358 ( 0.767 -8.648 1.244) 8.771 3.942 ( 0.302 -0.264 1.126) 1.196 4.328 ( 0.055 -0.440 0.009) 0.443 4.413 ( 0.125 2.359 -0.208) 2.372 5.087 ( 0.641 0.730 0.187) 0.989 5.090 ( 1.088 -1.203 1.134) 1.979 5.196 ( -1.764 0.600 -1.528) 2.409 5.223 ( -1.137 0.175 -0.513) 1.259 5.275 ( 1.077 1.108 0.509) 1.627 5.296 ( -0.276 0.233 -0.167) 0.398 5.671 ( -1.464 0.958 -0.892) 1.964 5.719 ( 0.019 1.690 -2.324) 2.873 5.762 ( 1.328 2.320 -0.103) 2.675 5.840 ( 0.047 0.888 -0.803) 1.198 6.006 ( 0.810 0.979 0.200) 1.286 6.019 ( -0.052 1.653 0.371) 1.695 7.741 ( 0.119 0.551 0.038) 0.565 8.098 ( -0.602 -0.485 -0.861) 1.157 8.214 ( -0.003 2.143 0.037) 2.143======================= Grid point 250 (110/231) =======================q-point: (-0.23 -0.62 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.223 ( -0.230 -10.595 -2.204) 10.824 1.305 ( 3.168 -3.340 4.435) 6.392 1.391 ( 4.239 -8.207 7.238) 11.735 1.437 ( 2.906 -4.938 3.544) 6.737 1.584 ( 0.351 -2.483 1.681) 3.019 1.689 ( 0.365 -1.604 0.970) 1.910 1.741 ( -1.450 0.165 -1.724) 2.259 1.822 ( -0.167 -4.078 -0.143) 4.084 2.045 ( -1.527 0.268 -2.992) 3.370 2.215 ( 1.175 2.153 0.636) 2.534 2.355 ( -0.548 2.907 -1.660) 3.392 2.424 ( -0.650 1.890 -2.404) 3.126 2.595 ( -0.135 4.851 2.401) 5.414 2.752 ( -1.018 2.983 -0.567) 3.203 2.782 ( -0.825 5.212 -0.447) 5.296 3.323 ( -1.473 -5.331 -2.026) 5.890 3.452 ( -0.313 -5.794 -1.090) 5.904 3.520 ( 0.270 -7.273 0.452) 7.292 3.983 ( 0.361 -3.103 0.917) 3.255 4.362 ( 0.098 -2.795 -0.341) 2.817 4.408 ( 0.705 -1.204 0.538) 1.496 5.059 ( 0.637 1.982 0.269) 2.099 5.108 ( 0.631 -0.289 0.605) 0.920 5.169 ( -1.396 1.380 -0.972) 2.190 5.199 ( -0.848 1.293 -0.970) 1.826 5.250 ( -0.087 1.196 0.190) 1.214 5.300 ( 0.894 0.251 0.786) 1.216 5.643 ( -1.145 1.104 -0.213) 1.605 5.684 ( 0.563 1.361 -0.728) 1.643 5.739 ( -0.416 0.826 -2.085) 2.281 5.830 ( -0.334 0.196 -1.590) 1.637 5.992 ( 0.076 0.530 0.740) 0.914 6.007 ( 0.788 0.661 0.107) 1.034 7.733 ( 0.088 0.329 -0.006) 0.340 8.104 ( -0.627 -0.595 -0.564) 1.032 8.172 ( -0.217 2.118 -0.221) 2.141======================= Grid point 251 (111/231) =======================q-point: (-0.15 -0.62 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.340 ( 0.164 -2.367 1.730) 2.936 1.393 ( 1.356 -3.972 1.082) 4.334 1.493 ( -0.999 -4.130 3.236) 5.341 1.546 ( 1.982 -1.489 1.756) 3.038 1.664 ( -1.300 2.050 0.665) 2.517 1.713 ( 4.071 -8.842 4.259) 10.625 1.759 ( -1.146 -1.289 -2.029) 2.663 1.914 ( -0.178 -5.138 0.667) 5.185 2.000 ( -0.352 2.462 0.306) 2.506 2.204 ( 0.636 -0.319 0.034) 0.712 2.289 ( 0.035 3.905 -0.732) 3.973 2.403 ( -1.404 -1.045 -1.623) 2.387 2.492 ( -0.188 4.906 1.821) 5.236 2.661 ( -1.857 4.641 -1.238) 5.149 2.691 ( 0.827 3.564 -1.185) 3.846 3.393 ( -0.469 -2.303 -0.680) 2.447 3.525 ( -0.069 -1.819 -1.199) 2.180 3.613 ( 0.241 -2.189 -0.511) 2.261 4.036 ( 0.132 -1.805 0.481) 1.873 4.414 ( -0.179 -2.285 -0.398) 2.326 4.440 ( 0.580 -1.152 0.997) 1.630 5.027 ( 0.410 1.494 -0.159) 1.558 5.115 ( -0.229 0.778 -0.139) 0.823 5.134 ( -0.064 0.435 -0.573) 0.722 5.181 ( -0.162 0.128 -0.467) 0.511 5.235 ( -0.312 0.282 0.075) 0.427 5.294 ( 0.375 0.465 0.816) 1.011 5.622 ( -0.693 0.715 0.142) 1.005 5.675 ( 0.877 0.056 -0.462) 0.993 5.718 ( -0.477 0.836 -2.204) 2.405 5.823 ( -0.101 0.311 -1.601) 1.634 5.986 ( 0.558 0.522 0.524) 0.927 5.995 ( -0.175 0.469 -0.257) 0.563 7.729 ( 0.047 0.114 -0.055) 0.135 8.114 ( -0.414 -0.719 -0.307) 0.884 8.134 ( 0.020 1.744 -0.205) 1.756======================= Grid point 252 (112/231) =======================q-point: (-0.08 0.38 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( -3.325 -1.658 0.429) 3.740 1.430 ( 1.140 1.563 3.215) 3.752 1.474 ( -2.251 3.715 0.598) 4.385 1.593 ( -1.860 -0.578 -1.016) 2.197 1.641 ( -2.628 -1.491 2.091) 3.675 1.736 ( -2.126 1.482 0.453) 2.631 1.872 ( 1.648 -3.687 4.069) 5.733 1.920 ( -1.098 3.714 -0.231) 3.880 2.038 ( 0.662 -3.966 4.064) 5.717 2.221 ( -0.934 -0.419 -0.615) 1.194 2.239 ( 0.899 -1.489 -1.560) 2.337 2.444 ( 0.977 -1.918 2.178) 3.062 2.460 ( -1.199 -3.094 -0.778) 3.408 2.612 ( 0.441 -0.382 -1.959) 2.045 2.659 ( 2.043 0.145 -2.142) 2.963 3.396 ( 0.995 2.064 0.650) 2.381 3.510 ( 0.660 3.371 -1.399) 3.709 3.598 ( 0.566 3.784 -1.290) 4.038 4.040 ( -0.299 1.409 0.207) 1.455 4.435 ( -0.715 -0.178 -0.189) 0.761 4.442 ( -0.303 1.225 0.962) 1.587 5.013 ( 0.346 -0.025 -0.932) 0.995 5.080 ( 0.073 1.632 -1.494) 2.213 5.150 ( 0.878 -0.817 1.448) 1.881 5.196 ( -0.535 -1.841 -0.444) 1.968 5.232 ( 0.222 0.151 0.116) 0.293 5.297 ( -0.455 -0.733 0.404) 0.952 5.613 ( -0.044 0.003 0.197) 0.202 5.680 ( 0.231 -0.357 -0.888) 0.984 5.706 ( 1.342 0.284 -1.299) 1.889 5.813 ( 0.761 0.817 -1.126) 1.586 5.974 ( 0.470 0.685 0.025) 0.831 5.999 ( -0.620 -0.941 -0.764) 1.362 7.729 ( 0.001 -0.081 -0.116) 0.142 8.105 ( 0.427 1.168 -0.016) 1.244 8.132 ( 0.210 -1.104 -0.173) 1.137======================= Grid point 259 (113/231) =======================q-point: (-0.54 -0.54 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.525 ( 1.414 0.000 8.566) 8.682 0.833 ( -2.913 -0.000 -8.085) 8.594 0.835 ( 0.243 0.000 9.161) 9.164 1.093 ( -3.768 -0.000 -10.360) 11.024 1.161 ( 6.331 0.000 8.007) 10.207 1.456 ( 5.959 0.000 5.543) 8.138 1.542 ( -0.931 -0.000 -0.241) 0.962 1.610 ( -2.937 -0.000 1.201) 3.173 1.645 ( -0.375 -0.000 -2.129) 2.162 1.781 ( -0.796 -0.000 1.873) 2.035 1.785 ( 0.866 0.000 1.009) 1.330 1.897 ( -0.708 -0.000 -0.469) 0.849 1.972 ( 0.370 0.000 -0.079) 0.379 2.449 ( -2.196 -0.000 -3.185) 3.869 2.559 ( 2.523 0.000 6.079) 6.582 3.110 ( 1.373 0.000 -0.367) 1.421 3.137 ( -0.266 -0.000 -0.755) 0.800 3.420 ( -0.577 -0.000 -3.843) 3.886 4.238 ( -2.024 -0.000 -2.712) 3.384 4.502 ( -0.393 -0.000 1.234) 1.295 4.689 ( 0.764 0.000 1.875) 2.025 4.806 ( -0.361 -0.000 -0.274) 0.453 4.875 ( -0.154 -0.000 0.081) 0.174 4.954 ( -0.517 -0.000 0.051) 0.520 5.107 ( 0.196 0.000 -0.524) 0.559 5.259 ( 0.413 0.000 0.320) 0.523 5.278 ( 0.536 0.000 -0.131) 0.552 5.399 ( -2.300 -0.000 -4.323) 4.896 5.947 ( -2.923 -0.000 -5.122) 5.898 6.065 ( 0.993 0.000 0.720) 1.226 6.095 ( -0.162 -0.000 0.478) 0.505 6.221 ( -0.301 -0.000 0.972) 1.018 6.259 ( -0.096 -0.000 -0.880) 0.885 7.784 ( 0.132 0.000 0.272) 0.302 8.104 ( -0.878 -0.000 -1.797) 2.000 8.315 ( 0.761 0.000 1.721) 1.882======================= Grid point 260 (114/231) =======================q-point: (-0.46 -0.54 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.501 ( -1.855 1.367 5.109) 5.604 0.775 ( -5.800 -1.501 -1.964) 6.304 0.943 ( 2.285 1.724 9.304) 9.734 1.074 ( -1.018 -10.559 -8.213) 13.416 1.257 ( 6.479 -2.691 6.910) 9.847 1.399 ( -3.175 1.698 0.110) 3.602 1.621 ( -1.365 -3.652 2.346) 4.550 1.685 ( -0.791 -2.506 -1.607) 3.080 1.728 ( -0.680 -12.490 -0.534) 12.519 1.834 ( -0.780 -9.665 -0.195) 9.698 1.895 ( 1.495 -6.791 2.369) 7.347 2.004 ( 0.175 -6.688 -0.202) 6.694 2.106 ( 0.273 -16.912 -0.428) 16.920 2.432 ( -0.872 0.199 -3.367) 3.484 2.574 ( 2.261 0.333 6.245) 6.650 3.115 ( 0.798 0.053 -1.316) 1.540 3.133 ( 1.130 0.212 0.500) 1.254 3.389 ( -0.877 2.324 -4.361) 5.019 4.175 ( -1.461 4.746 -2.034) 5.366 4.476 ( -0.111 2.632 1.270) 2.925 4.660 ( 0.375 3.078 0.779) 3.197 4.858 ( 0.441 -4.640 0.920) 4.751 4.918 ( 0.160 -4.168 0.013) 4.171 4.993 ( -0.258 -3.961 0.351) 3.985 5.139 ( -0.109 -3.115 -0.860) 3.233 5.281 ( -0.833 -0.781 -1.218) 1.669 5.299 ( -0.016 -1.806 -0.529) 1.882 5.421 ( -0.767 -4.793 -3.122) 5.771 5.896 ( -2.490 3.236 -4.878) 6.361 6.044 ( 1.280 2.887 0.564) 3.208 6.051 ( -0.226 4.485 0.511) 4.520 6.185 ( -0.314 3.537 0.870) 3.656 6.231 ( 0.453 2.832 -0.753) 2.965 7.780 ( 0.189 0.550 0.292) 0.650 8.096 ( -0.678 0.195 -1.760) 1.896 8.311 ( 0.804 0.994 1.620) 2.064======================= Grid point 261 (115/231) =======================q-point: (-0.38 -0.54 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.535 ( -5.246 -7.208 -0.992) 8.970 0.809 ( -5.862 -6.502 -0.284) 8.759 1.003 ( 7.934 -4.074 12.216) 15.126 1.258 ( 5.670 -1.803 7.401) 9.496 1.339 ( -1.334 -10.553 -5.783) 12.107 1.443 ( -3.116 -5.438 -1.382) 6.418 1.690 ( -2.698 -2.594 -2.667) 4.596 1.722 ( 0.529 -3.509 3.600) 5.056 1.921 ( -0.772 -4.049 1.539) 4.400 1.960 ( 2.425 -8.438 0.170) 8.781 2.140 ( -1.094 -16.491 -2.436) 16.706 2.225 ( -0.944 -13.379 -0.166) 13.414 2.439 ( -3.008 -14.811 -0.830) 15.136 2.459 ( 2.389 -6.967 -2.415) 7.751 2.580 ( 1.062 0.432 5.388) 5.508 3.118 ( 0.158 -0.863 -1.584) 1.811 3.151 ( 1.818 -1.394 0.906) 2.463 3.325 ( -1.102 3.112 -4.303) 5.424 4.069 ( -0.675 5.403 -0.569) 5.475 4.416 ( 0.201 3.677 1.130) 3.852 4.586 ( -0.092 4.796 -0.304) 4.807 4.958 ( 0.869 -5.053 1.611) 5.374 5.010 ( 0.308 -4.819 0.268) 4.836 5.083 ( 0.114 -5.068 0.878) 5.145 5.204 ( -0.804 -3.608 -1.552) 4.009 5.268 ( -1.434 0.985 -2.798) 3.294 5.318 ( -0.370 -0.549 -0.593) 0.889 5.553 ( 1.637 -7.576 -1.480) 7.891 5.809 ( -1.515 4.111 -3.921) 5.879 5.943 ( -0.592 6.136 0.513) 6.186 5.975 ( 1.524 4.926 0.222) 5.162 6.104 ( -0.089 4.504 0.899) 4.594 6.161 ( 0.509 4.558 -0.598) 4.625 7.768 ( 0.205 0.795 0.230) 0.853 8.088 ( -0.573 0.061 -1.500) 1.607 8.290 ( 0.576 1.761 1.129) 2.170======================= Grid point 262 (116/231) =======================q-point: (-0.31 -0.54 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( -2.645 -13.649 -2.647) 14.153 0.973 ( 0.927 -11.055 5.388) 12.333 1.143 ( 7.256 -5.351 8.599) 12.459 1.324 ( 3.284 -3.030 4.999) 6.704 1.477 ( 1.081 -4.018 2.218) 4.715 1.552 ( -1.517 -6.480 -6.415) 9.243 1.726 ( 0.287 -2.438 0.727) 2.560 1.773 ( 0.060 -0.642 1.438) 1.576 1.962 ( 0.020 -2.582 -0.465) 2.623 2.144 ( 0.633 -7.919 -0.550) 7.963 2.352 ( -0.883 -5.780 -1.930) 6.158 2.422 ( -1.865 -7.750 -3.580) 8.738 2.560 ( 0.148 -3.005 2.787) 4.101 2.629 ( -1.320 -8.597 0.475) 8.710 2.716 ( -1.580 -10.784 -0.068) 10.899 3.155 ( -0.294 -2.985 -1.396) 3.309 3.215 ( 0.740 -5.211 0.333) 5.274 3.279 ( -0.829 -0.222 -2.699) 2.832 3.979 ( 0.075 3.654 0.588) 3.702 4.354 ( 0.421 2.776 0.649) 2.882 4.487 ( -0.102 5.139 -0.630) 5.178 5.047 ( 0.838 -3.630 1.582) 4.047 5.082 ( 0.358 -2.228 0.641) 2.346 5.165 ( -0.530 -3.029 0.072) 3.076 5.225 ( -1.893 0.559 -2.535) 3.213 5.267 ( 0.244 -1.708 -0.493) 1.794 5.312 ( -0.317 0.969 -0.580) 1.173 5.661 ( 0.372 -2.389 -1.065) 2.642 5.739 ( -0.168 1.874 -3.351) 3.843 5.839 ( 0.196 4.575 0.945) 4.676 5.887 ( 0.642 4.412 -0.393) 4.476 6.037 ( 0.537 2.423 0.614) 2.557 6.076 ( 0.173 4.202 -0.288) 4.215 7.754 ( 0.169 0.763 0.123) 0.791 8.086 ( -0.689 -0.261 -1.153) 1.368 8.255 ( 0.112 2.181 0.504) 2.241======================= Grid point 263 (117/231) =======================q-point: (-0.23 -0.54 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.979 ( -0.360 -14.093 -2.158) 14.262 1.219 ( 6.017 -12.145 7.206) 15.350 1.273 ( 6.472 -3.972 6.218) 9.815 1.398 ( 3.001 -2.682 2.763) 4.882 1.548 ( 1.744 -2.384 5.275) 6.046 1.628 ( -0.887 -3.891 -6.245) 7.411 1.760 ( 0.014 1.358 -0.074) 1.360 1.773 ( 1.674 -1.549 1.790) 2.899 2.015 ( 0.028 -2.504 -1.723) 3.040 2.236 ( 0.339 -1.555 -0.514) 1.672 2.384 ( -1.611 0.805 -2.780) 3.313 2.453 ( -0.408 0.918 -2.169) 2.390 2.629 ( -0.874 -1.944 1.925) 2.872 2.750 ( -1.879 -3.308 -0.110) 3.806 2.821 ( -2.280 -1.342 -0.291) 2.662 3.214 ( -1.576 -4.385 -2.117) 5.118 3.328 ( -0.975 -6.028 -1.578) 6.307 3.365 ( 0.158 -8.603 0.868) 8.648 3.948 ( 0.549 -0.336 1.031) 1.215 4.331 ( 0.590 -0.295 0.052) 0.662 4.415 ( 0.551 2.028 -0.170) 2.109 5.091 ( 0.130 0.355 0.125) 0.398 5.102 ( 0.937 -0.693 1.574) 1.959 5.175 ( -2.046 0.258 -1.932) 2.826 5.211 ( -1.145 0.578 -0.189) 1.297 5.282 ( 0.439 1.818 -0.030) 1.871 5.297 ( 0.655 -1.057 0.101) 1.248 5.655 ( -1.661 0.925 -0.816) 2.069 5.714 ( 0.182 1.494 -2.303) 2.751 5.771 ( 0.689 3.095 -0.150) 3.174 5.836 ( -0.629 1.100 -0.797) 1.497 6.012 ( 0.247 1.671 0.265) 1.709 6.022 ( 0.879 0.847 0.208) 1.238 7.742 ( 0.129 0.577 0.037) 0.592 8.089 ( -0.887 -0.532 -0.796) 1.305 8.212 ( -0.336 2.274 0.004) 2.299======================= Grid point 264 (118/231) =======================q-point: (-0.15 -0.54 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.217 ( -0.009 -11.157 -1.519) 11.260 1.353 ( 4.840 -1.332 4.753) 6.913 1.447 ( 4.084 -2.887 6.474) 8.181 1.487 ( 6.644 -8.189 3.249) 11.035 1.596 ( 1.275 -3.216 2.632) 4.347 1.697 ( 0.904 -2.628 0.155) 2.783 1.722 ( -1.414 1.421 -2.977) 3.589 1.823 ( 0.482 -3.462 0.142) 3.498 2.033 ( -0.154 0.552 -1.632) 1.730 2.226 ( 1.012 1.739 0.657) 2.116 2.342 ( -1.532 2.122 -1.602) 3.069 2.416 ( -0.000 2.372 -2.309) 3.311 2.595 ( -0.929 4.660 1.757) 5.066 2.734 ( -2.768 3.306 -0.732) 4.373 2.772 ( -1.319 4.334 -0.292) 4.539 3.305 ( -1.537 -5.736 -1.535) 6.133 3.441 ( -1.238 -6.074 -1.530) 6.385 3.523 ( 0.106 -7.194 0.380) 7.204 3.989 ( 0.508 -2.933 0.769) 3.074 4.365 ( 0.554 -2.583 -0.210) 2.650 4.417 ( 1.023 -1.296 0.488) 1.722 5.064 ( 0.261 1.978 0.084) 1.996 5.112 ( 0.090 -0.182 0.421) 0.467 5.154 ( -1.426 1.236 -0.766) 2.037 5.190 ( -0.665 0.698 -0.493) 1.083 5.250 ( 0.215 1.538 0.003) 1.553 5.309 ( 0.790 0.299 0.615) 1.045 5.632 ( -1.204 0.733 -0.173) 1.420 5.686 ( 0.364 1.029 -1.029) 1.500 5.729 ( -0.701 1.336 -1.668) 2.249 5.821 ( -0.886 0.121 -1.483) 1.731 5.991 ( -0.380 0.501 0.534) 0.825 6.016 ( 1.210 0.880 0.020) 1.496 7.734 ( 0.091 0.352 -0.019) 0.364 8.096 ( -0.863 -0.752 -0.475) 1.240 8.169 ( -0.432 2.046 -0.227) 2.103======================= Grid point 265 (119/231) =======================q-point: (-0.08 -0.54 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.352 ( 1.575 -1.245 1.126) 2.301 1.409 ( 1.242 -3.985 2.564) 4.898 1.494 ( -0.149 -1.158 2.717) 2.957 1.562 ( 0.696 -0.553 2.081) 2.263 1.646 ( -1.679 3.111 -2.053) 4.088 1.750 ( -0.318 -1.096 -0.729) 1.355 1.770 ( 5.436 -8.145 4.954) 10.974 1.912 ( -0.635 -5.599 0.682) 5.677 2.001 ( 0.165 2.160 0.551) 2.235 2.210 ( 0.799 0.245 0.338) 0.901 2.284 ( -0.774 3.532 -0.804) 3.704 2.388 ( -1.069 -0.853 -1.491) 2.023 2.495 ( -0.137 4.528 1.440) 4.754 2.641 ( -1.911 3.686 -1.380) 4.375 2.693 ( 0.211 3.079 -1.154) 3.295 3.387 ( -0.604 -3.071 -0.554) 3.178 3.518 ( -0.607 -2.320 -1.498) 2.828 3.616 ( 0.493 -2.211 -0.329) 2.289 4.038 ( 0.123 -1.572 0.386) 1.624 4.412 ( 0.018 -1.911 -0.252) 1.928 4.448 ( 0.604 -0.851 0.848) 1.345 5.030 ( 0.193 1.550 -0.341) 1.598 5.111 ( -0.343 1.529 -0.415) 1.621 5.132 ( -0.203 -1.060 -0.248) 1.108 5.180 ( 0.128 0.276 -0.244) 0.390 5.233 ( -0.256 0.236 0.071) 0.356 5.299 ( 0.302 0.809 0.686) 1.103 5.617 ( -0.445 0.452 0.251) 0.682 5.679 ( 0.273 0.088 -0.899) 0.944 5.710 ( -0.256 0.160 -1.751) 1.777 5.818 ( -0.301 -0.147 -1.549) 1.585 5.986 ( -0.511 -0.084 -0.057) 0.521 5.998 ( 0.850 1.401 0.149) 1.646 7.729 ( 0.044 0.143 -0.065) 0.163 8.109 ( -0.473 -0.957 -0.257) 1.098 8.134 ( -0.042 1.448 -0.202) 1.463======================= Grid point 273 (120/231) =======================q-point: (-0.46 -0.46 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.544 ( -1.918 -0.000 9.257) 9.454 0.773 ( -6.497 -0.000 -7.304) 9.775 0.839 ( -2.712 -0.000 0.269) 2.725 1.054 ( -1.690 -0.000 1.361) 2.170 1.227 ( 4.128 0.000 7.620) 8.666 1.483 ( -2.133 -0.000 0.256) 2.148 1.535 ( -0.531 -0.000 -0.540) 0.757 1.588 ( -1.973 -0.000 0.997) 2.210 1.626 ( -2.221 -0.000 -2.534) 3.369 1.781 ( -0.044 -0.000 2.226) 2.227 1.799 ( 1.498 0.000 1.233) 1.940 1.891 ( -0.322 -0.000 -0.694) 0.765 1.983 ( 1.630 0.000 0.408) 1.680 2.432 ( 0.284 0.000 -3.305) 3.317 2.597 ( 2.539 0.000 6.943) 7.393 3.120 ( 0.890 0.000 -1.629) 1.856 3.144 ( 2.048 0.000 1.406) 2.484 3.402 ( -1.125 -0.000 -4.986) 5.112 4.214 ( -1.718 -0.000 -3.255) 3.680 4.503 ( -0.149 -0.000 1.311) 1.319 4.701 ( 0.931 0.000 2.405) 2.579 4.805 ( 0.241 0.000 -0.296) 0.381 4.876 ( 0.320 0.000 0.099) 0.335 4.952 ( 0.057 0.000 0.005) 0.057 5.106 ( -0.134 -0.000 -0.538) 0.554 5.259 ( -0.589 -0.000 0.305) 0.663 5.278 ( -0.370 -0.000 -0.111) 0.386 5.367 ( -2.400 -0.000 -5.191) 5.718 5.909 ( -2.857 -0.000 -5.277) 6.001 6.079 ( 1.559 0.000 0.655) 1.691 6.096 ( 0.080 0.000 0.522) 0.529 6.218 ( -0.503 -0.000 0.458) 0.680 6.262 ( 1.132 0.000 -0.646) 1.303 7.787 ( 0.209 0.000 0.345) 0.403 8.093 ( -0.473 -0.000 -1.860) 1.920 8.327 ( 0.939 0.000 1.812) 2.041======================= Grid point 274 (121/231) =======================q-point: (-0.38 -0.46 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.490 ( -4.053 3.521 7.121) 8.918 0.693 ( -9.471 -0.935 -3.416) 10.111 0.996 ( 0.548 -8.452 5.918) 10.333 1.039 ( 0.535 -5.915 -2.510) 6.448 1.329 ( 3.349 -6.392 6.839) 9.942 1.363 ( -2.488 6.283 -0.304) 6.764 1.598 ( -3.790 -3.017 -1.636) 5.113 1.671 ( -2.044 -4.567 -2.467) 5.579 1.727 ( 0.544 -13.512 1.503) 13.606 1.827 ( -0.678 -7.740 0.794) 7.810 1.912 ( 1.297 -7.993 2.035) 8.350 2.008 ( 0.888 -4.891 -0.382) 4.985 2.100 ( -1.234 -16.714 -0.745) 16.776 2.428 ( 1.507 0.149 -3.227) 3.565 2.608 ( 1.801 0.804 6.571) 6.861 3.116 ( 0.517 0.387 -1.969) 2.072 3.155 ( 2.824 0.160 2.017) 3.474 3.368 ( -1.417 2.303 -5.338) 5.983 4.157 ( -1.365 4.248 -2.233) 4.990 4.479 ( 0.108 2.523 1.292) 2.836 4.665 ( 0.365 3.557 0.732) 3.650 4.867 ( 0.976 -4.926 1.329) 5.194 4.921 ( 0.552 -4.204 0.037) 4.240 4.994 ( 0.208 -4.024 0.363) 4.046 5.135 ( -0.248 -2.889 -0.907) 3.038 5.267 ( -1.255 -0.184 -1.889) 2.275 5.295 ( -0.622 -1.500 -0.841) 1.829 5.410 ( -0.113 -6.776 -2.600) 7.258 5.863 ( -2.485 2.814 -4.973) 6.231 6.047 ( -0.286 4.433 0.597) 4.482 6.062 ( 1.922 3.175 0.532) 3.750 6.183 ( -0.304 3.386 0.447) 3.429 6.238 ( 1.306 2.995 -0.565) 3.316 7.782 ( 0.230 0.554 0.326) 0.683 8.087 ( -0.309 0.198 -1.691) 1.730 8.322 ( 0.834 1.130 1.546) 2.089======================= Grid point 275 (122/231) =======================q-point: (-0.31 -0.46 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.491 ( -4.217 -7.413 0.963) 8.582 0.775 ( -2.799 -9.889 4.598) 11.259 1.097 ( 6.922 -3.888 12.053) 14.432 1.278 ( -1.457 -7.912 -4.985) 9.464 1.313 ( -1.610 -7.705 -5.227) 9.449 1.453 ( 3.643 -3.955 6.078) 8.115 1.659 ( -2.542 -4.623 -2.270) 5.743 1.732 ( 0.357 -3.386 1.172) 3.601 1.921 ( -0.508 -4.444 2.982) 5.376 1.982 ( 2.381 -7.399 -0.351) 7.781 2.120 ( -2.036 -16.234 -2.241) 16.514 2.215 ( -1.204 -12.827 -0.323) 12.887 2.404 ( -3.864 -13.382 -1.620) 14.022 2.475 ( 1.864 -7.968 -1.708) 8.359 2.599 ( 0.332 1.242 5.192) 5.349 3.116 ( 0.185 -0.814 -1.644) 1.844 3.172 ( 2.198 -0.731 1.584) 2.806 3.302 ( -1.491 2.864 -4.903) 5.870 4.062 ( -0.589 4.853 -0.502) 4.915 4.421 ( 0.438 3.636 1.101) 3.825 4.585 ( -0.091 4.999 -0.403) 5.016 4.970 ( 0.905 -5.011 1.746) 5.383 5.014 ( 0.330 -4.726 0.438) 4.758 5.087 ( 0.246 -5.090 1.075) 5.208 5.191 ( -1.189 -2.853 -2.088) 3.730 5.252 ( -0.696 0.458 -2.534) 2.668 5.312 ( -0.593 -0.686 -0.686) 1.137 5.570 ( 2.782 -7.743 -1.326) 8.334 5.785 ( -1.607 3.417 -4.131) 5.597 5.939 ( -0.601 6.109 0.738) 6.182 5.991 ( 1.691 5.271 0.113) 5.536 6.106 ( 0.114 4.304 0.641) 4.353 6.166 ( 0.936 4.836 -0.473) 4.948 7.770 ( 0.211 0.824 0.226) 0.880 8.081 ( -0.391 0.126 -1.347) 1.409 8.297 ( 0.421 2.012 0.975) 2.275======================= Grid point 276 (123/231) =======================q-point: (-0.23 -0.46 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.706 ( 0.251 -14.307 -0.331) 14.313 1.010 ( 3.750 -13.301 7.686) 15.813 1.226 ( 6.651 -4.903 8.380) 11.769 1.341 ( 0.453 -4.153 -2.451) 4.844 1.498 ( 1.335 -6.724 -3.654) 7.769 1.543 ( 2.215 -3.645 2.448) 4.918 1.733 ( 1.426 -3.506 0.815) 3.872 1.787 ( 1.968 -0.873 1.431) 2.585 1.960 ( -0.260 -2.324 -0.127) 2.342 2.149 ( 0.709 -7.365 -0.733) 7.436 2.336 ( -1.733 -5.843 -1.382) 6.249 2.396 ( -2.066 -7.972 -3.597) 8.986 2.564 ( -0.524 -3.558 2.212) 4.223 2.613 ( -2.571 -7.654 0.730) 8.107 2.695 ( -3.027 -10.288 -0.265) 10.728 3.148 ( -0.572 -2.374 -1.412) 2.820 3.222 ( 0.505 -4.406 0.505) 4.463 3.264 ( -1.155 -0.945 -2.881) 3.244 3.982 ( 0.211 3.265 0.553) 3.319 4.360 ( 0.719 2.805 0.615) 2.961 4.486 ( 0.117 4.938 -0.556) 4.970 5.056 ( 0.255 -3.377 1.184) 3.587 5.087 ( 0.308 -2.575 1.255) 2.881 5.160 ( -0.611 -1.552 -0.430) 1.723 5.202 ( -1.822 -0.505 -2.028) 2.773 5.268 ( 0.396 -1.969 -0.644) 2.109 5.310 ( 0.022 0.758 -0.372) 0.844 5.661 ( 0.149 -0.475 -0.593) 0.775 5.732 ( 0.383 0.952 -3.777) 3.914 5.842 ( -0.095 3.832 0.993) 3.960 5.891 ( 0.451 5.286 -0.561) 5.335 6.045 ( 0.947 2.108 0.436) 2.352 6.078 ( 0.288 4.438 -0.223) 4.453 7.756 ( 0.162 0.796 0.094) 0.818 8.077 ( -0.705 -0.163 -0.952) 1.195 8.255 ( -0.156 2.439 0.365) 2.471======================= Grid point 277 (124/231) =======================q-point: (-0.15 -0.46 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.979 ( 0.852 -13.811 -0.062) 13.837 1.301 ( 8.265 -13.340 7.703) 17.482 1.342 ( 5.294 -3.341 5.203) 8.140 1.429 ( 3.917 -4.059 -0.683) 5.682 1.586 ( 2.347 -0.130 5.058) 5.578 1.607 ( -0.089 -5.178 -4.232) 6.688 1.765 ( 1.544 1.630 -1.103) 2.501 1.801 ( 3.304 -0.276 2.209) 3.984 2.013 ( 0.278 -2.518 -1.374) 2.882 2.238 ( 0.261 -1.852 -0.396) 1.912 2.363 ( -1.718 0.841 -2.170) 2.893 2.445 ( -0.382 0.305 -1.862) 1.925 2.619 ( -1.969 -1.919 1.360) 3.068 2.728 ( -2.969 -3.275 -0.226) 4.426 2.794 ( -3.534 -1.835 -0.301) 3.993 3.196 ( -1.514 -4.114 -1.575) 4.658 3.313 ( -1.478 -5.743 -1.580) 6.137 3.365 ( -0.385 -8.758 0.237) 8.770 3.956 ( 0.636 -0.412 0.808) 1.108 4.338 ( 0.951 -0.218 0.151) 0.987 4.422 ( 0.844 1.681 -0.071) 1.882 5.089 ( -0.532 0.010 -0.225) 0.578 5.115 ( 0.929 0.109 1.726) 1.963 5.152 ( -2.111 -0.150 -1.952) 2.879 5.202 ( -0.966 0.587 0.303) 1.170 5.284 ( 0.306 1.462 -0.683) 1.643 5.306 ( 0.919 -1.021 0.534) 1.474 5.639 ( -1.592 0.959 -0.560) 1.941 5.712 ( 0.420 1.507 -2.109) 2.626 5.774 ( 0.203 3.751 -0.453) 3.784 5.826 ( -1.118 1.332 -0.737) 1.889 6.013 ( -0.201 2.119 0.190) 2.137 6.034 ( 1.401 0.478 -0.047) 1.482 7.743 ( 0.119 0.599 -0.003) 0.611 8.079 ( -0.974 -0.517 -0.582) 1.247 8.208 ( -0.573 2.387 -0.062) 2.455======================= Grid point 278 (125/231) =======================q-point: (-0.08 -0.46 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.217 ( 0.466 -11.029 0.141) 11.040 1.407 ( 4.370 -0.711 4.324) 6.188 1.499 ( 5.291 -0.533 3.999) 6.654 1.552 ( 4.645 -3.606 3.078) 6.638 1.620 ( 3.435 -7.729 1.468) 8.584 1.702 ( 0.447 -4.405 0.435) 4.449 1.710 ( 0.306 3.420 -1.701) 3.832 1.832 ( 1.296 -1.906 0.468) 2.352 2.033 ( 0.819 0.495 -0.853) 1.281 2.237 ( 1.101 1.415 0.934) 2.021 2.324 ( -1.506 1.877 -1.214) 2.696 2.411 ( -0.316 2.568 -1.867) 3.190 2.587 ( -1.558 4.147 0.900) 4.520 2.702 ( -3.516 3.391 -1.092) 5.005 2.757 ( -1.850 3.324 -0.164) 3.808 3.289 ( -1.433 -6.042 -1.004) 6.290 3.424 ( -1.603 -6.354 -1.551) 6.734 3.523 ( -0.185 -7.373 -0.113) 7.376 3.995 ( 0.520 -2.755 0.544) 2.856 4.371 ( 0.876 -2.338 0.028) 2.497 4.428 ( 1.080 -1.296 0.403) 1.734 5.063 ( -0.255 1.878 -0.507) 1.961 5.111 ( -0.452 -0.120 -0.414) 0.625 5.141 ( -1.111 1.030 0.034) 1.515 5.186 ( -0.294 0.336 0.452) 0.636 5.253 ( 0.438 1.760 -0.293) 1.837 5.316 ( 0.553 0.378 0.441) 0.802 5.621 ( -1.090 0.303 -0.062) 1.133 5.686 ( 0.295 0.883 -1.093) 1.436 5.719 ( -0.737 1.702 -1.438) 2.347 5.809 ( -1.169 -0.020 -1.274) 1.729 5.988 ( -0.488 0.551 0.168) 0.756 6.027 ( 1.096 1.030 -0.125) 1.509 7.735 ( 0.078 0.373 -0.056) 0.385 8.087 ( -0.893 -0.903 -0.303) 1.305 8.164 ( -0.537 1.921 -0.226) 2.007======================= Grid point 287 (126/231) =======================q-point: (-0.38 -0.38 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.532 ( -5.222 -0.000 9.101) 10.493 0.684 ( -9.950 -0.000 -6.090) 11.665 0.780 ( -8.268 -0.000 -7.088) 10.890 1.077 ( 2.597 0.000 12.720) 12.983 1.269 ( 1.587 0.000 6.386) 6.581 1.429 ( -7.752 -0.000 -3.935) 8.694 1.526 ( -1.117 -0.000 -1.124) 1.584 1.573 ( -2.426 -0.000 0.233) 2.437 1.601 ( -1.907 -0.000 -1.813) 2.631 1.792 ( 1.295 0.000 2.368) 2.699 1.813 ( 0.966 0.000 0.858) 1.292 1.889 ( 0.366 0.000 -0.659) 0.754 2.000 ( 1.956 0.000 0.048) 1.957 2.439 ( 2.868 0.000 -2.850) 4.043 2.633 ( 1.652 0.000 6.729) 6.929 3.122 ( 0.880 0.000 -2.085) 2.263 3.176 ( 3.641 0.000 2.884) 4.645 3.377 ( -1.669 -0.000 -5.935) 6.166 4.192 ( -1.545 -0.000 -3.439) 3.770 4.505 ( 0.011 0.000 1.211) 1.211 4.716 ( 0.985 0.000 2.671) 2.847 4.809 ( 0.816 0.000 -0.275) 0.861 4.881 ( 0.741 0.000 0.094) 0.747 4.955 ( 0.661 0.000 0.015) 0.661 5.102 ( -0.447 -0.000 -0.539) 0.700 5.250 ( -1.487 -0.000 0.290) 1.515 5.271 ( -1.228 -0.000 -0.091) 1.231 5.335 ( -2.011 -0.000 -5.154) 5.533 5.873 ( -2.714 -0.000 -5.125) 5.799 6.091 ( 0.473 0.000 0.678) 0.827 6.103 ( 1.641 0.000 0.463) 1.705 6.215 ( -0.234 -0.000 0.083) 0.249 6.274 ( 1.795 0.000 -0.468) 1.855 7.789 ( 0.237 0.000 0.341) 0.416 8.087 ( 0.008 0.000 -1.651) 1.651 8.340 ( 0.931 0.000 1.576) 1.830======================= Grid point 288 (127/231) =======================q-point: (-0.31 -0.38 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.453 ( -7.959 5.170 6.185) 11.328 0.611 ( -7.738 -4.579 2.389) 9.303 0.945 ( -6.261 -16.857 -9.175) 20.187 1.101 ( 5.510 -0.617 13.607) 14.694 1.292 ( -6.530 1.354 -3.338) 7.457 1.405 ( 3.980 -4.194 7.081) 9.142 1.551 ( -4.918 -2.337 -3.780) 6.628 1.639 ( -3.482 -6.982 -2.894) 8.321 1.736 ( 0.366 -14.132 0.932) 14.168 1.829 ( 0.613 -5.080 2.372) 5.639 1.928 ( 1.241 -9.232 1.602) 9.452 2.016 ( 1.165 -2.770 -0.999) 3.167 2.083 ( -1.951 -15.698 -1.124) 15.859 2.443 ( 3.225 0.448 -2.600) 4.167 2.634 ( 0.646 1.214 5.902) 6.060 3.117 ( 0.797 0.570 -1.981) 2.211 3.190 ( 3.598 0.579 2.964) 4.698 3.340 ( -1.853 2.216 -6.035) 6.691 4.141 ( -1.293 3.756 -1.956) 4.428 4.483 ( 0.219 2.394 1.115) 2.650 4.670 ( 0.308 4.059 0.538) 4.106 4.881 ( 1.328 -5.004 1.556) 5.406 4.928 ( 0.796 -4.145 -0.006) 4.220 4.999 ( 0.723 -3.974 0.461) 4.066 5.130 ( -0.446 -2.669 -0.938) 2.864 5.253 ( -0.829 -0.022 -2.007) 2.172 5.285 ( -1.159 -1.490 -1.071) 2.170 5.408 ( 1.136 -9.123 -2.029) 9.415 5.829 ( -2.429 2.501 -4.685) 5.840 6.046 ( -0.274 4.711 0.806) 4.787 6.081 ( 2.132 3.186 0.299) 3.845 6.182 ( 0.020 3.267 0.184) 3.272 6.251 ( 1.718 3.219 -0.428) 3.674 7.785 ( 0.222 0.566 0.281) 0.670 8.083 ( 0.099 0.280 -1.385) 1.416 8.333 ( 0.708 1.298 1.212) 1.912======================= Grid point 289 (128/231) =======================q-point: (-0.23 -0.38 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.469 ( -1.551 -9.648 3.162) 10.271 0.777 ( -0.211 -12.857 8.248) 15.277 1.178 ( 4.702 -4.401 9.629) 11.584 1.241 ( -2.369 -10.048 -6.027) 11.954 1.283 ( -2.035 -8.889 -6.303) 11.085 1.501 ( 2.557 -2.965 4.570) 6.018 1.644 ( 0.312 -7.085 0.651) 7.122 1.731 ( -0.768 -4.899 -0.950) 5.049 1.926 ( -0.070 -3.912 3.988) 5.586 1.999 ( 1.841 -7.415 -1.190) 7.732 2.095 ( -2.120 -15.129 -1.980) 15.404 2.203 ( -1.171 -12.252 -0.321) 12.312 2.365 ( -3.696 -13.751 -1.706) 14.341 2.484 ( 0.953 -6.182 -1.463) 6.423 2.609 ( -0.582 1.915 4.467) 4.895 3.114 ( 0.208 -0.569 -1.646) 1.754 3.197 ( 2.368 0.216 2.173) 3.222 3.276 ( -1.669 2.522 -5.202) 6.017 4.057 ( -0.438 4.323 -0.180) 4.349 4.428 ( 0.509 3.544 0.885) 3.688 4.583 ( -0.025 5.113 -0.418) 5.131 4.981 ( 0.746 -4.728 1.415) 4.991 5.017 ( 0.049 -4.568 0.447) 4.590 5.093 ( 0.480 -4.988 1.315) 5.181 5.174 ( -1.384 -1.941 -2.251) 3.279 5.246 ( 0.432 -0.150 -1.708) 1.768 5.305 ( -0.765 -1.062 -0.604) 1.442 5.598 ( 4.338 -7.449 -1.482) 8.746 5.761 ( -1.669 2.763 -4.160) 5.265 5.936 ( -0.416 6.134 1.103) 6.247 6.005 ( 1.404 5.701 -0.258) 5.877 6.109 ( 0.493 4.060 0.452) 4.115 6.175 ( 1.107 5.197 -0.344) 5.325 7.773 ( 0.176 0.852 0.147) 0.883 8.076 ( -0.138 0.306 -0.988) 1.044 8.301 ( 0.197 2.288 0.652) 2.387======================= Grid point 290 (129/231) =======================q-point: (-0.15 -0.38 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( 1.844 -14.358 2.338) 14.663 1.071 ( 5.606 -15.327 7.850) 18.110 1.291 ( 3.122 -4.581 4.893) 7.394 1.340 ( 2.259 -5.958 -1.867) 6.640 1.488 ( 0.806 -8.004 -7.214) 10.805 1.580 ( 2.128 -3.144 4.526) 5.907 1.764 ( 4.397 -4.163 2.979) 6.748 1.809 ( 2.440 -1.929 0.312) 3.126 1.957 ( -0.478 -1.795 0.128) 1.862 2.153 ( 0.558 -6.875 -1.001) 6.970 2.316 ( -2.235 -6.080 -0.803) 6.528 2.371 ( -1.718 -8.185 -3.101) 8.920 2.559 ( -1.542 -6.023 0.701) 6.257 2.590 ( -2.799 -4.554 1.816) 5.645 2.662 ( -4.052 -9.593 -0.449) 10.423 3.139 ( -0.687 -1.869 -1.445) 2.460 3.227 ( 0.384 -3.308 0.605) 3.385 3.246 ( -1.291 -1.546 -2.939) 3.563 3.985 ( 0.278 2.931 0.523) 2.990 4.369 ( 0.800 2.734 0.497) 2.892 4.487 ( 0.345 4.663 -0.340) 4.688 5.057 ( -0.430 -2.844 0.227) 2.886 5.091 ( -0.146 -3.173 1.411) 3.476 5.155 ( -0.038 0.378 -0.661) 0.762 5.184 ( -1.554 -1.770 -0.896) 2.520 5.271 ( 0.589 -1.917 -0.630) 2.103 5.311 ( 0.283 0.260 0.015) 0.385 5.661 ( -0.120 1.505 -0.122) 1.514 5.729 ( 1.047 0.074 -4.125) 4.256 5.843 ( -0.179 3.533 1.061) 3.693 5.892 ( 0.163 6.081 -0.897) 6.149 6.056 ( 1.228 1.857 0.177) 2.234 6.080 ( 0.312 4.733 -0.164) 4.746 7.757 ( 0.121 0.819 0.005) 0.828 8.070 ( -0.561 0.031 -0.585) 0.811 8.254 ( -0.370 2.687 0.147) 2.716======================= Grid point 291 (130/231) =======================q-point: (-0.08 -0.38 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( 1.463 -13.281 2.496) 13.592 1.381 ( 2.695 -6.259 5.490) 8.751 1.397 ( 7.768 -11.585 2.514) 14.173 1.470 ( 5.071 -5.417 0.764) 7.460 1.581 ( 0.350 -1.963 -4.495) 4.918 1.632 ( 1.807 -2.254 4.366) 5.235 1.789 ( 4.287 3.459 0.392) 5.523 1.838 ( 3.601 0.170 1.600) 3.944 2.014 ( 0.536 -3.114 -1.229) 3.390 2.239 ( 0.192 -2.254 -0.087) 2.263 2.346 ( -1.213 0.604 -1.141) 1.771 2.437 ( -0.617 -0.061 -1.313) 1.452 2.601 ( -2.717 -1.778 0.913) 3.373 2.698 ( -3.394 -3.035 -0.611) 4.594 2.758 ( -4.174 -2.635 -0.284) 4.944 3.180 ( -1.232 -3.933 -1.066) 4.257 3.295 ( -1.569 -5.403 -1.557) 5.838 3.360 ( -0.682 -8.862 -0.419) 8.898 3.963 ( 0.564 -0.473 0.521) 0.902 4.348 ( 1.058 -0.233 0.281) 1.120 4.430 ( 0.938 1.409 0.069) 1.694 5.081 ( -0.966 -0.163 -0.739) 1.227 5.122 ( -0.642 1.658 -1.675) 2.443 5.135 ( -0.350 -1.262 1.706) 2.150 5.195 ( -0.873 0.318 0.608) 1.111 5.286 ( 0.479 1.049 -0.900) 1.462 5.315 ( 0.804 -0.683 0.760) 1.300 5.625 ( -1.282 1.043 -0.230) 1.669 5.713 ( 0.713 1.603 -1.806) 2.517 5.773 ( -0.089 4.298 -0.867) 4.385 5.813 ( -1.348 1.517 -0.668) 2.137 6.011 ( -0.245 2.337 0.071) 2.350 6.045 ( 1.256 0.522 -0.397) 1.417 7.744 ( 0.081 0.611 -0.081) 0.622 8.069 ( -0.831 -0.447 -0.259) 0.978 8.202 ( -0.661 2.460 -0.145) 2.551======================= Grid point 301 (131/231) =======================q-point: (-0.31 -0.31 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.499 ( -6.771 -0.000 10.413) 12.421 0.569 ( -12.912 -0.000 -4.479) 13.667 0.668 ( -12.917 -0.000 -6.205) 14.330 1.145 ( 4.783 0.000 15.628) 16.344 1.283 ( -1.161 -0.000 3.959) 4.126 1.338 ( -9.563 -0.000 -6.357) 11.483 1.509 ( -1.997 -0.000 -1.182) 2.321 1.540 ( -4.318 -0.000 -1.836) 4.692 1.588 ( -0.361 -0.000 -0.623) 0.720 1.815 ( 2.420 0.000 2.532) 3.503 1.820 ( 0.187 0.000 0.223) 0.291 1.895 ( 0.959 0.000 -0.338) 1.017 2.017 ( 2.020 0.000 -0.638) 2.118 2.467 ( 4.414 0.000 -2.106) 4.891 2.655 ( 0.020 0.000 5.389) 5.389 3.127 ( 1.269 0.000 -1.938) 2.316 3.220 ( 4.291 0.000 3.829) 5.751 3.346 ( -2.082 -0.000 -6.577) 6.899 4.171 ( -1.586 -0.000 -3.004) 3.397 4.508 ( 0.077 0.000 0.936) 0.939 4.731 ( 0.952 0.000 2.605) 2.774 4.818 ( 1.281 0.000 -0.215) 1.299 4.889 ( 1.037 0.000 0.068) 1.039 4.964 ( 1.238 0.000 0.081) 1.240 5.096 ( -0.687 -0.000 -0.526) 0.865 5.234 ( -2.146 -0.000 0.279) 2.164 5.256 ( -1.909 -0.000 -0.076) 1.911 5.310 ( -1.092 -0.000 -4.046) 4.191 5.838 ( -2.566 -0.000 -4.388) 5.083 6.094 ( 0.002 0.000 0.781) 0.781 6.123 ( 2.235 0.000 0.228) 2.246 6.215 ( 0.190 0.000 -0.069) 0.202 6.291 ( 2.063 0.000 -0.358) 2.094 7.792 ( 0.198 0.000 0.253) 0.321 8.086 ( 0.464 0.000 -1.233) 1.318 8.350 ( 0.742 0.000 1.098) 1.325======================= Grid point 302 (132/231) =======================q-point: (-0.23 -0.31 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.383 ( -9.578 2.810 4.991) 11.160 0.571 ( -4.680 -8.154 9.985) 13.715 0.859 ( -8.591 -19.542 -7.754) 22.712 1.176 ( 3.628 -0.445 10.091) 10.732 1.224 ( -5.530 0.827 -2.662) 6.192 1.443 ( 0.909 -9.423 5.288) 10.843 1.496 ( -4.807 -1.135 -4.632) 6.772 1.601 ( -3.311 -7.468 -2.162) 8.450 1.737 ( -0.383 -14.325 -0.029) 14.330 1.847 ( 1.636 -3.272 3.155) 4.831 1.940 ( 0.655 -10.711 1.056) 10.783 2.024 ( 1.335 -0.684 -1.949) 2.459 2.065 ( -1.318 -14.338 -0.957) 14.430 2.470 ( 3.813 1.164 -1.844) 4.392 2.645 ( -0.933 1.392 4.339) 4.652 3.122 ( 1.078 0.838 -1.715) 2.192 3.232 ( 3.863 1.153 3.679) 5.458 3.308 ( -2.079 2.037 -6.365) 7.000 4.126 ( -1.120 3.193 -0.997) 3.528 4.487 ( 0.210 2.271 0.767) 2.407 4.673 ( 0.241 4.500 0.292) 4.516 4.897 ( 1.355 -4.849 1.424) 5.233 4.934 ( 0.637 -3.834 -0.257) 3.895 5.009 ( 1.226 -3.848 0.641) 4.089 5.123 ( -0.724 -2.366 -0.921) 2.640 5.247 ( 0.450 -0.435 -0.805) 1.019 5.271 ( -1.230 -1.491 -1.356) 2.361 5.423 ( 3.382 -12.054 -2.437) 12.754 5.798 ( -2.299 2.306 -3.630) 4.877 6.046 ( -0.107 4.828 1.085) 4.950 6.100 ( 1.849 3.406 -0.114) 3.877 6.185 ( 0.421 3.174 0.093) 3.203 6.266 ( 1.807 3.465 -0.302) 3.920 7.787 ( 0.150 0.577 0.147) 0.614 8.083 ( 0.484 0.415 -0.887) 1.093 8.340 ( 0.440 1.466 0.692) 1.679======================= Grid point 303 (133/231) =======================q-point: (-0.15 -0.31 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.477 ( 0.974 -11.838 5.340) 13.023 0.805 ( 1.585 -15.252 9.555) 18.068 1.176 ( -3.388 -11.300 -6.181) 13.319 1.251 ( -1.916 -12.226 -6.034) 13.768 1.265 ( 4.568 -4.003 9.125) 10.962 1.510 ( -1.093 -3.606 -0.454) 3.795 1.668 ( 3.024 -9.120 4.525) 10.620 1.715 ( -1.998 -6.932 -2.204) 7.543 1.936 ( -0.048 -3.118 3.931) 5.018 2.008 ( 0.982 -9.040 -1.835) 9.277 2.075 ( -1.317 -12.244 -2.006) 12.477 2.193 ( -0.999 -12.156 -0.125) 12.198 2.333 ( -2.657 -13.655 -1.558) 13.998 2.486 ( 0.217 -3.776 -1.163) 3.957 2.608 ( -1.501 2.150 3.329) 4.238 3.113 ( 0.303 -0.145 -1.516) 1.553 3.223 ( 2.206 1.334 2.615) 3.672 3.250 ( -1.478 2.065 -5.196) 5.783 4.054 ( -0.192 3.918 0.374) 3.941 4.434 ( 0.410 3.418 0.528) 3.483 4.582 ( 0.112 5.116 -0.312) 5.127 4.989 ( 0.515 -4.172 0.782) 4.276 5.015 ( -0.642 -4.486 -0.058) 4.532 5.101 ( 0.492 -4.758 1.271) 4.950 5.158 ( -0.879 -1.543 -1.386) 2.253 5.252 ( 1.496 -0.111 -0.648) 1.634 5.296 ( -0.787 -1.660 -0.300) 1.862 5.640 ( 5.965 -6.458 -2.474) 9.133 5.737 ( -1.792 2.303 -3.654) 4.676 5.937 ( -0.080 6.143 1.564) 6.339 6.014 ( 0.910 6.147 -0.776) 6.262 6.116 ( 0.803 3.845 0.271) 3.937 6.184 ( 1.076 5.572 -0.198) 5.678 7.774 ( 0.087 0.869 -0.012) 0.874 8.074 ( 0.168 0.556 -0.470) 0.747 8.303 ( -0.065 2.530 0.216) 2.540======================= Grid point 304 (134/231) =======================q-point: (-0.08 -0.31 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.745 ( 2.125 -14.075 5.001) 15.087 1.136 ( 4.888 -16.523 5.406) 18.059 1.297 ( -0.326 -6.422 -3.576) 7.358 1.384 ( 4.824 -5.569 5.596) 9.252 1.491 ( 2.793 -8.564 -3.569) 9.689 1.593 ( -0.310 -4.041 0.534) 4.088 1.805 ( 1.844 -6.456 1.513) 6.883 1.841 ( 5.135 -2.440 1.986) 6.022 1.952 ( -0.636 -0.947 0.064) 1.142 2.155 ( 0.540 -6.502 -1.039) 6.607 2.293 ( -2.510 -6.879 -0.364) 7.332 2.355 ( -0.389 -7.616 -2.060) 7.899 2.540 ( -2.510 -9.410 -0.796) 9.772 2.574 ( -2.142 -0.453 2.718) 3.491 2.623 ( -4.393 -8.879 -0.491) 9.919 3.130 ( -0.588 -1.521 -1.495) 2.213 3.228 ( -1.156 -1.649 -3.006) 3.618 3.232 ( 0.382 -2.424 0.778) 2.574 3.989 ( 0.266 2.730 0.506) 2.789 4.376 ( 0.666 2.575 0.333) 2.680 4.490 ( 0.517 4.399 -0.033) 4.430 5.050 ( -0.805 -2.344 -0.585) 2.546 5.087 ( -1.091 -3.206 0.020) 3.387 5.157 ( 0.469 1.226 -0.183) 1.325 5.172 ( -0.650 -2.400 0.781) 2.606 5.276 ( 0.723 -1.635 -0.464) 1.847 5.315 ( 0.481 -0.298 0.504) 0.758 5.659 ( -0.327 2.823 0.105) 2.844 5.731 ( 1.535 -0.294 -4.190) 4.472 5.844 ( -0.130 3.748 1.148) 3.922 5.890 ( -0.051 6.658 -1.325) 6.789 6.067 ( 1.215 1.716 -0.198) 2.111 6.082 ( 0.277 5.076 -0.076) 5.084 7.758 ( 0.041 0.824 -0.136) 0.836 8.065 ( -0.262 0.277 -0.110) 0.397 8.250 ( -0.494 2.869 -0.119) 2.913======================= Grid point 315 (135/231) =======================q-point: (-0.23 -0.23 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.436 ( -14.775 -0.000 -1.980) 14.907 0.464 ( -7.503 -0.000 12.752) 14.795 0.530 ( -14.707 -0.000 -1.015) 14.742 1.224 ( 4.479 0.000 14.717) 15.384 1.233 ( -10.069 -0.000 -8.593) 13.237 1.266 ( -3.714 -0.000 0.323) 3.728 1.492 ( -1.319 -0.000 0.300) 1.353 1.495 ( -4.161 -0.000 -2.637) 4.927 1.588 ( 0.205 0.000 -0.079) 0.220 1.819 ( -0.139 -0.000 -0.245) 0.282 1.844 ( 2.759 0.000 2.706) 3.865 1.904 ( 1.048 0.000 -0.034) 1.048 2.033 ( 2.058 0.000 -1.455) 2.520 2.505 ( 4.701 0.000 -1.420) 4.911 2.656 ( -1.877 -0.000 3.259) 3.761 3.136 ( 1.537 0.000 -1.484) 2.136 3.268 ( 4.330 0.000 4.450) 6.209 3.311 ( -2.285 -0.000 -6.815) 7.188 4.151 ( -1.423 -0.000 -1.160) 1.836 4.511 ( 0.079 0.000 0.592) 0.597 4.745 ( 1.074 0.000 2.189) 2.438 4.830 ( 1.538 0.000 -0.128) 1.544 4.899 ( 1.122 0.000 0.030) 1.122 4.977 ( 1.690 0.000 0.180) 1.700 5.088 ( -0.787 -0.000 -0.488) 0.926 5.214 ( -2.424 -0.000 0.260) 2.437 5.237 ( -2.286 -0.000 -0.072) 2.287 5.299 ( 0.270 0.000 -1.946) 1.964 5.808 ( -2.078 -0.000 -2.436) 3.202 6.097 ( 0.290 0.000 0.993) 1.034 6.141 ( 1.807 0.000 -0.233) 1.822 6.218 ( 0.545 0.000 -0.076) 0.550 6.309 ( 2.049 0.000 -0.208) 2.060 7.794 ( 0.087 0.000 0.072) 0.113 8.090 ( 0.840 0.000 -0.630) 1.050 8.357 ( 0.387 0.000 0.455) 0.597======================= Grid point 316 (136/231) =======================q-point: (-0.15 -0.23 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.325 ( -5.598 -3.501 6.770) 9.457 0.568 ( -2.565 -10.036 14.886) 18.136 0.760 ( -9.879 -23.196 -4.585) 25.625 1.136 ( -6.481 -0.321 -8.653) 10.815 1.254 ( 3.116 -0.763 11.564) 12.001 1.420 ( -5.420 -10.618 -4.801) 12.852 1.473 ( -0.226 -3.266 2.596) 4.178 1.576 ( -1.562 -7.145 0.027) 7.313 1.732 ( -0.513 -13.689 -0.264) 13.701 1.868 ( 1.315 -2.441 2.773) 3.921 1.942 ( -0.445 -11.510 0.371) 11.525 2.032 ( 1.797 0.469 -2.666) 3.249 2.056 ( -0.247 -12.854 -0.491) 12.865 2.500 ( 3.557 2.046 -1.192) 4.273 2.637 ( -2.462 1.273 2.270) 3.583 3.129 ( 1.273 1.152 -1.203) 2.096 3.273 ( 0.241 1.866 -0.014) 1.881 3.277 ( 1.374 1.651 -2.177) 3.058 4.118 ( -0.367 2.730 0.851) 2.883 4.490 ( 0.119 2.190 0.372) 2.224 4.675 ( 0.181 4.820 0.059) 4.824 4.910 ( 0.922 -4.672 0.878) 4.842 4.937 ( 0.181 -3.077 -0.619) 3.144 5.023 ( 1.458 -3.598 0.744) 3.952 5.114 ( -0.867 -2.140 -0.694) 2.411 5.247 ( -1.289 -2.184 0.368) 2.562 5.269 ( 2.411 -0.007 -0.532) 2.469 5.459 ( 6.435 -15.329 -5.566) 17.532 5.775 ( -1.314 2.307 -0.877) 2.796 6.050 ( 0.303 4.918 1.506) 5.153 6.113 ( 1.202 3.670 -0.688) 3.922 6.190 ( 0.637 3.096 0.051) 3.162 6.281 ( 1.653 3.723 -0.123) 4.075 7.788 ( 0.011 0.582 -0.074) 0.587 8.087 ( 0.823 0.574 -0.232) 1.030 8.343 ( 0.055 1.596 0.059) 1.598======================= Grid point 317 (137/231) =======================q-point: (-0.08 -0.23 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.506 ( 1.830 -12.738 7.349) 14.820 0.841 ( 1.256 -16.624 7.985) 18.485 1.132 ( -2.615 -12.194 -6.899) 14.253 1.225 ( -1.189 -16.665 -2.586) 16.907 1.325 ( 3.823 -3.937 8.585) 10.189 1.490 ( -2.053 -4.673 -2.818) 5.830 1.688 ( -2.537 -8.103 -2.323) 8.803 1.706 ( 2.662 -10.649 5.136) 12.118 1.940 ( -0.917 -2.569 2.581) 3.756 2.011 ( 0.501 -12.040 -1.277) 12.117 2.063 ( -0.288 -8.105 -2.768) 8.569 2.184 ( -0.876 -12.675 0.198) 12.706 2.313 ( -0.927 -13.272 -1.305) 13.368 2.483 ( -0.132 -1.014 -0.814) 1.306 2.597 ( -2.270 1.835 1.991) 3.533 3.113 ( 0.500 0.395 -1.249) 1.402 3.222 ( -1.574 1.767 -4.220) 4.838 3.252 ( 2.332 2.206 2.130) 3.852 4.055 ( 0.148 3.809 1.052) 3.954 4.437 ( 0.205 3.289 0.156) 3.299 4.584 ( 0.256 5.014 -0.132) 5.023 4.993 ( 0.018 -3.284 -0.209) 3.290 5.006 ( -0.965 -4.675 -0.420) 4.792 5.104 ( -0.298 -3.977 0.185) 3.992 5.155 ( 0.426 -2.209 0.653) 2.342 5.268 ( 1.765 0.548 0.045) 1.849 5.291 ( -0.161 -2.308 0.599) 2.390 5.685 ( 4.740 -5.804 -7.646) 10.706 5.718 ( 0.028 3.208 0.674) 3.278 5.943 ( 0.391 6.159 2.097) 6.518 6.017 ( 0.409 6.484 -1.308) 6.628 6.124 ( 0.757 3.704 -0.044) 3.781 6.193 ( 0.907 5.902 -0.009) 5.971 7.774 ( -0.044 0.865 -0.221) 0.894 8.077 ( 0.491 0.826 0.132) 0.970 8.301 ( -0.329 2.683 -0.272) 2.717======================= Grid point 329 (138/231) =======================q-point: (-0.15 -0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.304 ( -13.853 -0.000 2.746) 14.123 0.359 ( -16.921 -0.000 1.513) 16.988 0.477 ( -3.749 -0.000 20.305) 20.648 1.121 ( -9.766 -0.000 -10.921) 14.651 1.222 ( -4.969 -0.000 -3.186) 5.902 1.281 ( 1.279 0.000 10.366) 10.445 1.468 ( -0.440 -0.000 0.384) 0.584 1.487 ( -0.397 -0.000 1.719) 1.764 1.590 ( 0.201 0.000 0.131) 0.239 1.817 ( -0.143 -0.000 -0.448) 0.470 1.874 ( 2.362 0.000 2.955) 3.783 1.912 ( 0.823 0.000 0.145) 0.836 2.047 ( 2.071 0.000 -2.346) 3.130 2.542 ( 3.969 0.000 -1.156) 4.134 2.637 ( -3.248 -0.000 1.040) 3.411 3.148 ( 1.573 0.000 -0.865) 1.795 3.275 ( -2.286 -0.000 -6.296) 6.698 3.316 ( 3.962 0.000 4.473) 5.975 4.149 ( 1.155 0.000 3.118) 3.325 4.513 ( 0.119 0.000 0.405) 0.422 4.761 ( 1.632 0.000 0.963) 1.895 4.844 ( 1.478 0.000 -0.027) 1.478 4.909 ( 0.929 0.000 0.000) 0.929 4.994 ( 1.817 0.000 0.252) 1.835 5.080 ( -0.655 -0.000 -0.379) 0.757 5.193 ( -2.204 -0.000 0.198) 2.213 5.216 ( -2.200 -0.000 -0.070) 2.201 5.307 ( 1.858 0.000 0.788) 2.018 5.797 ( 0.467 0.000 1.550) 1.619 6.105 ( 1.120 0.000 1.261) 1.687 6.153 ( 1.032 0.000 -0.797) 1.304 6.224 ( 0.562 0.000 -0.104) 0.572 6.326 ( 1.888 0.000 0.019) 1.888 7.794 ( -0.087 -0.000 -0.192) 0.211 8.098 ( 1.195 0.000 0.150) 1.204 8.359 ( -0.100 -0.000 -0.272) 0.290======================= Grid point 330 (139/231) =======================q-point: (-0.08 -0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.316 ( -0.672 -8.442 8.191) 11.782 0.574 ( -5.513 -11.965 11.597) 17.551 0.689 ( -2.846 -26.063 5.663) 26.822 1.056 ( -6.394 -2.198 -10.600) 12.573 1.293 ( 0.509 -1.668 7.602) 7.800 1.355 ( -5.660 -10.596 -6.995) 13.901 1.484 ( 1.105 -4.236 4.030) 5.950 1.574 ( 0.488 -7.296 2.333) 7.676 1.727 ( -0.408 -13.086 -0.110) 13.093 1.881 ( 0.266 -2.002 1.908) 2.779 1.935 ( -1.047 -10.757 -0.118) 10.808 2.044 ( 1.969 0.657 -2.971) 3.624 2.056 ( 0.367 -12.049 -0.339) 12.060 2.527 ( 2.763 2.756 -0.776) 3.979 2.613 ( -3.420 0.984 0.268) 3.569 3.138 ( 1.295 1.425 -0.641) 2.029 3.243 ( -1.968 1.517 -5.533) 6.065 3.315 ( 3.254 2.234 3.843) 5.509 4.127 ( 1.369 3.215 3.117) 4.683 4.491 ( 0.014 2.196 0.105) 2.199 4.676 ( 0.059 4.964 -0.207) 4.968 4.914 ( -0.311 -4.381 -0.309) 4.403 4.938 ( 0.399 -2.409 -0.214) 2.451 5.036 ( 0.951 -3.071 0.486) 3.251 5.106 ( -0.362 -2.350 -0.096) 2.380 5.234 ( -1.416 -2.619 -0.078) 2.979 5.301 ( 3.727 0.711 2.032) 4.304 5.499 ( 5.706 -16.589 -12.205) 21.371 5.784 ( 3.341 2.450 3.258) 5.271 6.060 ( 0.989 5.102 2.056) 5.589 6.118 ( 0.494 3.876 -1.214) 4.092 6.195 ( 0.404 3.045 -0.144) 3.075 6.294 ( 1.308 4.003 0.104) 4.212 7.787 ( -0.156 0.574 -0.328) 0.679 8.096 ( 1.110 0.762 0.482) 1.430 8.341 ( -0.384 1.652 -0.597) 1.799======================= Grid point 343 (140/231) =======================q-point: (-0.08 -0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.224 ( -13.026 -0.000 4.998) 13.952 0.228 ( -4.573 -0.000 10.833) 11.758 0.517 ( 0.372 0.000 26.557) 26.560 1.010 ( -8.817 -0.000 -12.596) 15.376 1.167 ( -4.790 -0.000 -5.828) 7.544 1.294 ( -1.352 -0.000 3.909) 4.136 1.489 ( 2.837 0.000 5.310) 6.020 1.491 ( 0.247 0.000 2.266) 2.280 1.592 ( 0.104 0.000 0.253) 0.274 1.815 ( -0.092 -0.000 -0.507) 0.516 1.897 ( 1.054 0.000 2.653) 2.854 1.919 ( 0.514 0.000 0.245) 0.570 2.059 ( 1.966 0.000 -3.115) 3.684 2.568 ( 2.485 0.000 -1.263) 2.787 2.607 ( -3.453 -0.000 -0.837) 3.553 3.159 ( 1.309 0.000 -0.406) 1.371 3.242 ( -1.904 -0.000 -5.454) 5.777 3.358 ( 3.222 0.000 4.129) 5.237 4.199 ( 7.651 0.000 5.374) 9.350 4.516 ( 0.362 0.000 0.552) 0.661 4.774 ( 1.129 0.000 -2.367) 2.622 4.855 ( 0.997 0.000 0.068) 0.999 4.915 ( 0.488 0.000 -0.017) 0.488 5.009 ( 1.206 0.000 0.206) 1.224 5.076 ( -0.095 -0.000 -0.113) 0.148 5.177 ( -1.499 -0.000 0.040) 1.499 5.199 ( -1.424 -0.000 -0.044) 1.425 5.335 ( 3.249 0.000 3.257) 4.600 5.838 ( 7.438 0.000 4.349) 8.616 6.124 ( 2.209 0.000 0.838) 2.362 6.157 ( 0.660 0.000 -0.883) 1.102 6.226 ( 0.075 0.000 -0.332) 0.341 6.343 ( 1.675 0.000 0.097) 1.677 7.792 ( -0.220 -0.000 -0.421) 0.475 8.112 ( 1.605 0.000 0.795) 1.791 8.354 ( -0.617 -0.000 -0.961) 1.142======================= Grid point 344 (141/231) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.251 ( 0.816 0.000 -0.781) 1.130 0.526 ( 5.659 0.000 9.196) 10.798 0.704 ( -4.350 -0.000 -4.974) 6.608 0.946 ( -3.894 -0.000 -7.404) 8.366 1.072 ( 5.828 0.000 15.770) 16.813 1.259 ( -2.945 -0.000 -2.443) 3.826 1.535 ( 0.407 0.000 0.927) 1.012 1.598 ( -0.035 -0.000 0.204) 0.207 1.664 ( 1.087 0.000 6.465) 6.556 1.803 ( -0.065 -0.000 -0.321) 0.328 1.867 ( -3.350 -0.000 -5.037) 6.049 1.928 ( 0.118 0.000 0.165) 0.203 2.000 ( 0.868 0.000 -2.198) 2.363 2.522 ( -1.157 -0.000 -1.059) 1.569 2.579 ( 0.474 0.000 -0.472) 0.669 3.125 ( -0.341 -0.000 -2.043) 2.072 3.175 ( 0.280 0.000 -0.530) 0.600 3.441 ( 0.576 0.000 1.447) 1.557 4.298 ( 1.918 0.000 0.566) 1.999 4.539 ( 0.380 0.000 0.769) 0.858 4.680 ( -1.057 -0.000 -2.625) 2.830 4.863 ( 0.090 0.000 0.088) 0.126 4.916 ( -0.045 -0.000 -0.030) 0.054 5.016 ( -0.103 -0.000 0.060) 0.119 5.083 ( 0.455 0.000 0.139) 0.476 5.165 ( -0.253 -0.000 -0.103) 0.273 5.193 ( 0.018 0.000 -0.005) 0.019 5.441 ( 1.646 0.000 1.988) 2.581 5.925 ( 2.415 0.000 0.073) 2.416 6.103 ( -0.484 -0.000 -1.064) 1.169 6.180 ( 1.540 0.000 0.325) 1.574 6.208 ( -0.819 -0.000 -0.537) 0.979 6.349 ( 0.098 0.000 -0.120) 0.155 7.779 ( -0.068 -0.000 -0.333) 0.340 8.147 ( 0.766 0.000 0.774) 1.089 8.314 ( -0.757 -0.000 -1.128) 1.359======================= Grid point 345 (142/231) =======================q-point: ( 0.08 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.323 ( -0.243 -14.618 0.611) 14.632 0.748 ( -2.361 -6.772 -2.691) 7.660 0.822 ( 8.055 -15.507 10.147) 20.206 0.965 ( -4.248 -7.475 -6.029) 10.501 1.183 ( 2.390 -5.303 1.359) 5.973 1.345 ( -0.363 -12.699 4.698) 13.545 1.659 ( 2.624 -8.863 4.162) 10.137 1.687 ( -0.435 -4.318 3.568) 5.618 1.728 ( -0.142 -10.815 -0.360) 10.822 1.827 ( -2.720 0.385 -3.760) 4.657 1.876 ( -0.355 -4.748 -1.846) 5.107 1.997 ( 0.537 -4.875 -1.582) 5.154 2.060 ( 0.340 -10.066 -0.340) 10.078 2.521 ( -0.377 -0.414 0.201) 0.595 2.543 ( -0.384 3.363 -1.116) 3.564 3.116 ( -0.512 0.422 -1.596) 1.729 3.153 ( 0.028 2.150 -0.605) 2.234 3.414 ( 0.124 2.971 0.925) 3.114 4.232 ( 0.606 6.478 0.566) 6.531 4.498 ( -0.066 3.349 0.371) 3.370 4.647 ( -0.171 2.472 -0.804) 2.605 4.886 ( -0.426 -2.274 -0.129) 2.317 4.944 ( -0.218 -2.769 0.025) 2.778 5.035 ( -0.393 -1.834 0.093) 1.878 5.131 ( 0.474 -4.094 0.177) 4.125 5.232 ( 0.558 -3.824 0.569) 3.906 5.295 ( -0.595 -9.843 -2.950) 10.293 5.438 ( 0.929 0.292 0.858) 1.298 5.888 ( 1.687 4.595 -0.893) 4.975 6.062 ( -0.501 3.823 -0.760) 3.930 6.133 ( -0.403 5.010 -0.048) 5.027 6.177 ( 0.217 3.033 -0.138) 3.044 6.306 ( -0.585 4.110 -0.018) 4.152 7.773 ( 0.000 0.582 -0.243) 0.631 8.140 ( 0.207 0.973 0.435) 1.086 8.297 ( -0.426 1.334 -0.662) 1.549======================= Grid point 346 (143/231) =======================q-point: ( 0.15 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.674 ( -1.517 -20.083 1.496) 20.195 0.914 ( -3.883 -11.815 -1.188) 12.493 1.027 ( 2.555 -7.494 9.742) 12.554 1.145 ( -2.820 -8.613 -6.097) 10.923 1.399 ( -0.442 -16.518 -0.538) 16.533 1.658 ( 2.775 -15.835 6.515) 17.346 1.719 ( 1.328 -1.336 4.593) 4.964 1.761 ( -3.633 -0.967 -5.278) 6.480 1.870 ( 0.282 -1.266 1.181) 1.754 1.968 ( -0.259 -14.215 -2.799) 14.490 2.031 ( 1.494 -14.576 -0.309) 14.655 2.188 ( 1.105 -12.822 -0.026) 12.870 2.298 ( 0.623 -12.952 -0.865) 12.996 2.467 ( 0.901 3.135 -0.817) 3.363 2.545 ( -0.301 -2.171 0.877) 2.360 3.106 ( -0.030 1.975 -1.072) 2.247 3.111 ( 0.068 -0.212 -0.966) 0.991 3.342 ( 0.022 4.416 0.194) 4.420 4.105 ( -0.149 6.550 0.415) 6.565 4.434 ( -0.214 3.252 0.175) 3.263 4.588 ( 0.013 3.761 -0.211) 3.766 4.936 ( -0.076 -2.968 -0.099) 2.970 5.005 ( -0.009 -3.267 0.011) 3.267 5.078 ( 0.019 -2.753 0.109) 2.755 5.214 ( 0.200 -4.120 0.147) 4.127 5.313 ( 0.415 -3.551 1.176) 3.763 5.352 ( -0.723 1.915 -0.987) 2.272 5.530 ( -0.384 -8.036 -1.853) 8.256 5.785 ( 1.242 6.238 -1.444) 6.522 5.960 ( -0.363 6.525 -0.550) 6.558 6.007 ( -0.679 7.548 -0.118) 7.580 6.109 ( 0.038 3.832 0.008) 3.832 6.204 ( -0.729 5.991 0.005) 6.035 7.759 ( 0.042 0.769 -0.132) 0.782 8.118 ( -0.069 1.304 0.063) 1.307 8.263 ( 0.045 2.110 -0.187) 2.119======================= Grid point 347 (144/231) =======================q-point: ( 0.23 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( -4.948 -16.901 -0.756) 17.626 1.126 ( -5.324 -12.582 0.480) 13.670 1.198 ( 1.138 -8.277 6.783) 10.761 1.266 ( -2.934 -6.483 -0.203) 7.119 1.649 ( -3.331 -9.256 -0.060) 9.838 1.707 ( 0.895 0.514 1.864) 2.131 1.819 ( -4.926 -4.631 -2.707) 7.283 1.874 ( 0.414 -2.454 1.344) 2.828 1.915 ( 0.634 -6.304 1.298) 6.467 2.198 ( -1.259 -8.155 -1.058) 8.319 2.270 ( 1.555 -9.446 -0.430) 9.583 2.408 ( 0.411 -8.736 -1.016) 8.804 2.469 ( 1.826 -6.997 -1.336) 7.354 2.515 ( 4.271 -4.617 1.127) 6.390 2.621 ( 1.244 -5.825 0.982) 6.036 3.097 ( 1.266 -2.019 -1.088) 2.620 3.148 ( 0.737 -3.866 -0.959) 4.051 3.270 ( 0.334 2.491 -0.405) 2.546 4.001 ( -0.357 4.124 0.287) 4.149 4.383 ( -0.567 1.746 0.209) 1.848 4.510 ( -0.382 4.077 -0.120) 4.096 4.987 ( 0.615 -2.149 -0.005) 2.236 5.051 ( 0.363 -1.203 0.025) 1.257 5.135 ( 0.744 -3.008 0.134) 3.102 5.273 ( -0.131 -1.570 0.302) 1.604 5.295 ( -0.494 2.747 -0.578) 2.850 5.357 ( -0.551 -0.701 0.142) 0.903 5.641 ( -0.564 -3.041 0.206) 3.100 5.697 ( 1.528 2.084 -2.461) 3.569 5.827 ( -0.278 7.010 -0.446) 7.030 5.866 ( 0.107 6.738 -0.073) 6.739 6.048 ( -0.204 2.341 -0.153) 2.354 6.091 ( -0.425 5.397 -0.021) 5.414 7.746 ( 0.079 0.649 -0.056) 0.656 8.095 ( 0.079 0.925 -0.225) 0.956 8.222 ( 0.489 2.233 0.033) 2.286======================= Grid point 348 (145/231) =======================q-point: ( 0.31 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( -6.231 -11.893 -3.228) 13.809 1.306 ( -5.321 -7.366 1.187) 9.164 1.346 ( -4.283 -6.407 0.543) 7.726 1.369 ( 0.764 -6.690 8.932) 11.186 1.703 ( -3.287 -1.743 -3.080) 4.830 1.754 ( -0.425 -2.040 5.285) 5.681 1.844 ( -5.893 -1.890 -3.330) 7.028 1.895 ( -1.329 0.896 2.695) 3.135 1.993 ( -0.306 -3.957 -0.669) 4.024 2.285 ( 0.003 -1.822 0.014) 1.822 2.359 ( -2.330 -0.133 -1.983) 3.062 2.522 ( -0.262 -2.626 -2.866) 3.896 2.547 ( 2.388 -0.268 1.405) 2.784 2.613 ( 5.292 -2.447 0.612) 5.862 2.708 ( 3.818 -0.745 0.324) 3.904 3.204 ( 1.652 -7.937 -1.677) 8.279 3.249 ( 2.047 -4.722 -0.857) 5.218 3.298 ( 1.077 -6.719 0.249) 6.809 3.961 ( -0.385 -0.235 0.377) 0.588 4.373 ( -1.132 -1.117 0.110) 1.594 4.446 ( -0.952 2.028 0.012) 2.241 5.020 ( 1.250 -1.033 -0.002) 1.622 5.048 ( 0.604 1.490 -0.024) 1.608 5.189 ( 1.260 -1.878 0.295) 2.281 5.241 ( -0.486 2.022 -0.109) 2.083 5.277 ( -0.492 1.414 -0.361) 1.540 5.346 ( -0.892 1.132 0.130) 1.447 5.647 ( 1.864 0.195 -0.123) 1.879 5.702 ( -0.196 2.831 -0.692) 2.921 5.720 ( -0.829 1.601 -1.642) 2.439 5.774 ( 1.930 2.659 0.192) 3.292 6.006 ( -0.356 2.744 -0.320) 2.786 6.022 ( 0.137 1.209 0.198) 1.233 7.736 ( 0.079 0.442 -0.021) 0.449 8.086 ( 0.439 0.180 -0.343) 0.585 8.185 ( 0.708 1.946 -0.019) 2.071======================= Grid point 349 (146/231) =======================q-point: ( 0.38 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( -5.123 -2.245 -0.637) 5.630 1.399 ( -2.957 -2.216 2.534) 4.481 1.433 ( -1.739 -7.453 1.123) 7.735 1.518 ( -2.737 -6.428 3.489) 7.809 1.692 ( -4.291 0.282 -1.621) 4.596 1.783 ( -0.086 -0.937 4.353) 4.453 1.850 ( -2.757 -1.544 0.065) 3.160 1.892 ( -4.266 -1.834 -0.303) 4.653 2.070 ( 0.606 -4.289 -0.839) 4.412 2.261 ( -2.988 4.605 -0.955) 5.572 2.288 ( 0.221 4.460 -0.440) 4.487 2.501 ( -2.087 1.814 -3.102) 4.155 2.539 ( 2.778 3.203 1.776) 4.597 2.627 ( 4.478 2.678 -0.385) 5.232 2.687 ( 4.310 4.138 0.616) 6.007 3.332 ( 0.064 -5.097 -2.671) 5.755 3.377 ( 2.276 -7.297 0.057) 7.643 3.467 ( 1.989 -8.452 0.412) 8.693 3.997 ( -0.338 -2.964 0.377) 3.007 4.405 ( -1.575 -2.324 -0.337) 2.827 4.431 ( -0.873 -0.745 0.566) 1.280 5.017 ( 0.781 1.690 -0.075) 1.863 5.043 ( 1.472 -0.921 0.155) 1.743 5.195 ( 0.131 1.225 -0.107) 1.236 5.228 ( -0.095 1.564 0.038) 1.567 5.233 ( 0.057 0.843 -0.193) 0.866 5.319 ( -0.848 1.174 0.246) 1.469 5.640 ( 0.749 1.757 1.059) 2.184 5.663 ( 1.391 0.041 -2.050) 2.478 5.688 ( -0.220 1.235 -0.930) 1.561 5.778 ( 1.315 -0.761 -0.716) 1.679 5.973 ( 0.142 0.850 -0.202) 0.885 6.007 ( 0.199 0.658 0.468) 0.831 7.730 ( 0.048 0.248 -0.013) 0.253 8.091 ( 0.608 -0.483 -0.317) 0.839 8.155 ( 0.580 1.584 -0.143) 1.692======================= Grid point 350 (147/231) =======================q-point: ( 0.46 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( -2.224 -0.879 -1.153) 2.655 1.425 ( -1.270 -1.716 1.175) 2.437 1.509 ( -1.015 -0.114 1.390) 1.724 1.586 ( -0.117 -3.163 1.705) 3.596 1.708 ( -1.419 -2.320 3.027) 4.069 1.782 ( -0.790 0.984 3.194) 3.434 1.862 ( -2.586 -0.395 -1.572) 3.052 1.929 ( -0.707 -2.938 0.730) 3.109 2.113 ( -3.663 6.745 -2.070) 7.950 2.153 ( 0.446 -3.449 -0.475) 3.510 2.232 ( 1.284 1.929 0.322) 2.339 2.456 ( -0.795 2.472 -0.043) 2.597 2.483 ( 1.107 2.141 0.825) 2.547 2.588 ( 1.937 1.867 -0.793) 2.805 2.637 ( 2.233 1.765 -0.820) 2.962 3.396 ( -0.080 -1.511 -1.078) 1.858 3.486 ( 0.863 -2.973 -0.629) 3.159 3.594 ( 1.080 -3.648 -0.068) 3.805 4.043 ( -0.213 -1.561 0.233) 1.593 4.427 ( -0.695 -0.580 0.005) 0.906 4.455 ( -0.497 -1.233 0.353) 1.375 5.001 ( 0.400 0.265 -0.326) 0.580 5.076 ( 1.293 -1.919 0.617) 2.395 5.161 ( -1.052 2.839 -1.664) 3.455 5.185 ( 0.274 0.698 0.839) 1.125 5.237 ( 0.207 0.106 0.001) 0.233 5.302 ( -0.373 0.222 0.365) 0.567 5.628 ( 0.354 0.140 1.025) 1.094 5.659 ( 0.143 0.279 -0.621) 0.696 5.679 ( 0.760 0.383 -2.063) 2.232 5.791 ( 0.448 -0.226 -0.927) 1.054 5.965 ( -0.112 0.117 -0.543) 0.567 6.003 ( 0.464 -0.056 0.733) 0.869 7.727 ( 0.022 0.061 -0.032) 0.072 8.106 ( 0.364 -0.795 -0.209) 0.899 8.130 ( 0.166 1.236 -0.137) 1.255======================= Grid point 351 (148/231) =======================q-point: (-0.46 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( 1.075 1.315 -0.989) 1.965 1.457 ( 0.353 -1.410 -1.715) 2.248 1.506 ( 2.316 -0.755 1.712) 2.977 1.596 ( -0.581 3.046 0.746) 3.190 1.733 ( 2.167 2.371 1.469) 3.532 1.767 ( 0.395 -0.905 4.719) 4.821 1.838 ( 0.691 1.405 -0.078) 1.568 1.935 ( 0.733 4.453 0.456) 4.536 2.030 ( 0.743 -0.302 2.949) 3.056 2.199 ( -0.309 -2.189 -2.603) 3.415 2.252 ( -0.223 -3.077 -1.286) 3.342 2.409 ( 1.262 1.661 3.294) 3.899 2.502 ( -0.900 -3.269 -0.379) 3.412 2.592 ( -1.513 -2.254 -1.142) 2.945 2.654 ( -1.233 -3.282 -1.989) 4.031 3.379 ( -0.224 3.183 0.391) 3.214 3.486 ( -0.438 2.883 -0.661) 2.989 3.603 ( -0.504 2.777 -0.861) 2.950 4.045 ( 0.032 1.357 0.103) 1.361 4.421 ( 0.736 1.233 0.532) 1.531 4.459 ( 0.220 0.709 -0.083) 0.747 5.007 ( -0.530 -0.976 -0.948) 1.460 5.099 ( -1.268 1.999 -1.566) 2.838 5.128 ( 0.872 -2.139 1.465) 2.735 5.192 ( 0.591 -1.143 0.191) 1.301 5.234 ( -0.314 0.154 0.225) 0.416 5.307 ( 0.072 -0.663 -0.071) 0.670 5.629 ( -0.292 0.053 1.062) 1.103 5.660 ( 0.015 -0.472 -0.376) 0.603 5.669 ( -0.152 0.280 -1.757) 1.785 5.788 ( -0.099 0.457 -0.640) 0.792 5.966 ( -0.408 -0.427 -0.636) 0.868 6.011 ( 0.136 -0.533 -0.028) 0.551 7.728 ( 0.002 -0.128 -0.086) 0.154 8.103 ( -0.309 1.066 0.053) 1.111 8.130 ( -0.101 -1.149 -0.092) 1.157======================= Grid point 352 (149/231) =======================q-point: (-0.38 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( 4.652 6.905 4.101) 9.281 1.466 ( 1.430 1.226 -4.373) 4.761 1.501 ( -1.576 5.231 -3.960) 6.747 1.541 ( 3.931 0.541 0.510) 4.001 1.659 ( 1.639 3.473 1.533) 4.135 1.816 ( 5.272 2.121 4.255) 7.099 1.825 ( 3.065 2.650 3.058) 5.076 1.847 ( 0.867 -0.228 0.984) 1.331 2.042 ( 1.587 1.117 0.909) 2.143 2.253 ( 1.187 -2.933 -0.479) 3.200 2.306 ( -0.510 -2.642 -0.945) 2.852 2.423 ( 2.068 -1.472 3.491) 4.316 2.565 ( -2.786 -3.526 -0.788) 4.562 2.637 ( -3.892 -3.055 -1.315) 5.120 2.716 ( -3.195 -3.509 -1.720) 5.048 3.285 ( -0.230 6.229 1.501) 6.411 3.384 ( -1.421 6.835 -0.731) 7.019 3.492 ( -1.670 7.814 -1.671) 8.163 4.002 ( 0.125 2.708 -0.118) 2.714 4.392 ( 1.469 2.160 0.781) 2.727 4.439 ( 0.811 1.148 -0.156) 1.414 5.029 ( -1.003 -1.760 -1.247) 2.379 5.064 ( -1.582 0.766 -1.754) 2.483 5.170 ( 0.361 -1.748 1.811) 2.543 5.217 ( 0.056 0.082 1.458) 1.462 5.241 ( 0.202 -1.848 -0.939) 2.083 5.323 ( 0.471 -0.859 -0.120) 0.987 5.626 ( -0.732 0.113 1.263) 1.464 5.668 ( -0.195 -1.197 -1.220) 1.720 5.683 ( -0.067 -1.635 -0.646) 1.759 5.777 ( -0.846 0.256 -0.619) 1.079 5.975 ( -0.485 -0.921 -0.489) 1.150 6.022 ( -0.001 -0.657 -0.821) 1.052 7.732 ( -0.034 -0.315 -0.171) 0.360 8.083 ( -0.462 0.796 0.392) 1.001 8.155 ( -0.512 -1.711 -0.114) 1.789======================= Grid point 353 (150/231) =======================q-point: (-0.31 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 5.419 11.885 7.003) 14.821 1.356 ( 2.415 9.171 -4.367) 10.441 1.394 ( 1.710 7.758 -2.613) 8.363 1.520 ( -1.454 1.575 -5.240) 5.662 1.628 ( 1.636 2.993 3.762) 5.078 1.730 ( 6.949 5.105 7.319) 11.310 1.834 ( 0.896 0.174 -2.350) 2.521 1.915 ( 4.049 -2.716 1.219) 5.025 1.994 ( 0.368 4.373 -0.707) 4.445 2.268 ( 1.351 2.789 1.663) 3.517 2.336 ( 0.335 0.157 0.154) 0.401 2.453 ( 1.907 1.132 2.738) 3.523 2.580 ( -3.335 0.404 -0.748) 3.442 2.635 ( -4.271 2.009 -1.578) 4.977 2.713 ( -3.788 2.525 -0.268) 4.561 3.171 ( -0.471 5.372 0.974) 5.480 3.250 ( -1.479 5.618 -0.966) 5.889 3.322 ( -1.510 7.887 -1.713) 8.211 3.968 ( 0.077 0.320 -0.227) 0.400 4.368 ( 1.118 0.713 0.517) 1.423 4.444 ( 0.990 -1.541 0.266) 1.851 5.037 ( -1.557 0.584 -1.565) 2.284 5.062 ( -1.022 -1.257 -1.404) 2.144 5.194 ( -1.287 1.689 -0.004) 2.123 5.207 ( 1.127 -1.482 2.719) 3.295 5.277 ( 0.668 -1.169 -0.286) 1.376 5.341 ( 0.890 -0.544 0.653) 1.230 5.627 ( -0.767 -0.798 1.113) 1.570 5.700 ( 1.392 -0.184 -0.063) 1.406 5.730 ( -0.683 -4.738 -2.261) 5.294 5.783 ( -1.384 -2.311 -0.733) 2.792 6.005 ( -0.025 -2.758 -0.224) 2.768 6.035 ( 0.082 -0.894 -0.940) 1.300 7.739 ( -0.101 -0.516 -0.275) 0.593 8.073 ( -0.119 0.116 0.750) 0.768 8.189 ( -0.722 -2.273 -0.346) 2.410======================= Grid point 354 (151/231) =======================q-point: (-0.23 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( 5.556 14.257 6.717) 16.711 1.162 ( 2.765 11.987 -1.592) 12.405 1.205 ( -0.605 12.084 -2.183) 12.295 1.430 ( -4.388 5.679 -8.158) 10.866 1.575 ( 3.675 4.469 5.514) 7.992 1.682 ( 7.757 8.031 8.838) 14.239 1.770 ( -1.696 5.767 -2.457) 6.494 1.902 ( -0.747 1.356 -1.676) 2.281 1.951 ( 0.693 3.727 -0.270) 3.801 2.171 ( 2.052 8.340 1.312) 8.689 2.266 ( -1.706 7.672 -0.164) 7.861 2.369 ( 2.199 7.516 2.055) 8.096 2.481 ( -3.003 9.297 -1.885) 9.950 2.546 ( -4.320 4.994 -1.643) 6.805 2.620 ( -1.557 3.928 1.306) 4.423 3.095 ( -0.603 1.872 -0.873) 2.152 3.158 ( -0.710 3.379 -1.984) 3.982 3.256 ( 0.451 -1.352 0.932) 1.703 4.001 ( 0.203 -3.599 0.283) 3.616 4.384 ( 0.370 -1.971 0.070) 2.007 4.504 ( 0.703 -4.052 0.457) 4.138 5.005 ( -1.369 1.951 -1.700) 2.928 5.058 ( -0.755 1.507 -0.657) 1.809 5.142 ( -1.049 2.821 -0.482) 3.048 5.249 ( 1.621 -0.738 3.246) 3.702 5.279 ( 0.772 0.525 0.043) 0.934 5.346 ( 0.941 0.664 1.171) 1.642 5.660 ( -0.788 1.095 -0.124) 1.355 5.671 ( 1.457 -0.778 -1.564) 2.275 5.843 ( -0.332 -7.099 -1.850) 7.344 5.862 ( 0.112 -6.005 0.338) 6.015 6.056 ( -0.001 -2.404 -0.858) 2.552 6.089 ( 0.533 -5.263 0.159) 5.292 7.750 ( -0.178 -0.715 -0.375) 0.827 8.080 ( 0.524 -0.698 1.036) 1.355 8.232 ( -0.797 -2.611 -0.757) 2.833======================= Grid point 355 (152/231) =======================q-point: (-0.15 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.669 ( 2.219 16.201 2.953) 16.616 0.950 ( 0.934 10.868 -3.025) 11.320 0.956 ( -0.834 12.757 4.457) 13.538 1.273 ( -5.769 7.710 -8.649) 12.944 1.364 ( 3.587 18.823 3.936) 19.562 1.556 ( 2.728 7.807 9.040) 12.252 1.686 ( 0.153 5.624 3.090) 6.419 1.808 ( 0.881 6.530 1.351) 6.726 1.900 ( -3.896 0.367 -3.522) 5.265 1.974 ( 1.385 11.156 -2.450) 11.505 2.033 ( -1.572 14.310 -0.200) 14.398 2.186 ( -0.754 12.808 0.230) 12.832 2.290 ( 0.422 12.386 -0.336) 12.398 2.462 ( 0.025 -1.643 -0.625) 1.758 2.572 ( -2.425 1.092 -1.335) 2.976 3.100 ( 0.725 -1.728 -0.445) 1.926 3.126 ( -0.486 -0.196 -2.534) 2.587 3.325 ( 1.366 -4.262 1.897) 4.861 4.095 ( 0.733 -5.816 1.351) 6.016 4.436 ( -0.072 -3.216 -0.046) 3.217 4.586 ( 0.249 -4.071 -0.025) 4.079 4.949 ( -1.008 3.055 -1.401) 3.509 5.004 ( 0.003 3.456 0.039) 3.456 5.085 ( -0.628 2.699 -0.545) 2.825 5.204 ( 0.665 4.387 1.300) 4.624 5.293 ( 0.743 2.115 1.818) 2.886 5.343 ( 1.724 -1.266 1.084) 2.398 5.545 ( 0.260 8.466 -3.890) 9.320 5.762 ( 1.334 -5.548 0.823) 5.765 5.970 ( -0.165 -6.494 -1.247) 6.615 5.995 ( 1.305 -7.184 0.716) 7.337 6.116 ( -0.422 -3.948 -0.614) 4.018 6.203 ( 0.805 -6.033 0.117) 6.088 7.763 ( -0.228 -0.790 -0.422) 0.924 8.104 ( 1.055 -1.177 1.174) 1.969 8.275 ( -0.858 -2.364 -1.161) 2.770======================= Grid point 356 (153/231) =======================q-point: (-0.08 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.358 ( -6.259 13.911 -1.785) 15.358 0.719 ( 5.956 14.399 7.034) 17.097 0.794 ( -3.208 6.501 -1.639) 7.432 1.015 ( -3.825 9.862 0.490) 10.589 1.157 ( 1.223 7.653 -0.120) 7.751 1.349 ( -2.228 10.017 3.012) 10.695 1.626 ( 2.165 5.201 4.802) 7.402 1.674 ( 1.131 6.325 4.569) 7.884 1.729 ( -0.001 11.824 0.066) 11.825 1.863 ( -2.213 0.971 -3.449) 4.211 1.890 ( -2.234 4.210 -3.381) 5.843 1.995 ( 0.560 4.362 -1.575) 4.671 2.057 ( 0.447 10.251 -0.053) 10.261 2.520 ( 1.108 -1.684 -0.474) 2.071 2.554 ( -1.903 -1.231 -1.601) 2.774 3.122 ( 0.120 -0.582 -2.037) 2.121 3.153 ( 0.348 -2.061 -0.786) 2.233 3.405 ( 1.178 -3.001 1.843) 3.713 4.218 ( 1.753 -6.026 1.924) 6.564 4.497 ( 0.039 -3.146 0.407) 3.172 4.652 ( -0.402 -2.996 -1.201) 3.252 4.889 ( -0.264 2.548 -0.537) 2.617 4.944 ( 0.277 2.715 0.072) 2.730 5.038 ( -0.178 1.935 -0.165) 1.950 5.124 ( 0.754 4.062 0.772) 4.203 5.230 ( -0.343 3.502 0.537) 3.560 5.308 ( -0.317 10.112 -3.985) 10.873 5.421 ( 2.060 0.179 2.375) 3.149 5.870 ( 2.373 -4.270 0.980) 4.982 6.069 ( -0.286 -3.873 -1.252) 4.080 6.122 ( 2.055 -4.859 0.831) 5.341 6.183 ( -0.948 -3.079 -0.583) 3.274 6.306 ( 0.666 -4.109 0.019) 4.163 7.774 ( -0.192 -0.568 -0.386) 0.713 8.131 ( 1.157 -0.940 1.083) 1.843 8.306 ( -0.889 -1.408 -1.323) 2.127======================= Grid point 358 (154/231) =======================q-point: ( 0.08 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.283 ( 6.262 0.000 -1.904) 6.545 0.599 ( 6.848 0.000 2.492) 7.288 0.692 ( 2.985 0.000 0.652) 3.056 0.918 ( 0.881 0.000 -2.728) 2.867 1.153 ( 5.544 0.000 10.002) 11.435 1.223 ( -4.023 -0.000 -2.521) 4.748 1.545 ( 1.350 0.000 0.357) 1.396 1.597 ( -0.467 -0.000 0.173) 0.498 1.683 ( 0.100 0.000 5.525) 5.525 1.801 ( -0.264 -0.000 -0.204) 0.334 1.833 ( -1.825 -0.000 -2.686) 3.248 1.928 ( -0.203 -0.000 0.027) 0.205 1.998 ( -0.173 -0.000 -2.354) 2.360 2.514 ( -0.301 -0.000 0.437) 0.530 2.577 ( -0.733 -0.000 -0.894) 1.156 3.116 ( -0.850 -0.000 -1.285) 1.541 3.173 ( -0.405 -0.000 -0.640) 0.758 3.443 ( -0.518 -0.000 0.524) 0.737 4.306 ( 0.003 0.000 -1.153) 1.153 4.541 ( -0.363 -0.000 0.310) 0.477 4.670 ( -0.195 -0.000 -0.995) 1.014 4.859 ( -0.909 -0.000 -0.014) 0.909 4.914 ( -0.607 -0.000 0.013) 0.607 5.011 ( -0.870 -0.000 0.140) 0.881 5.085 ( 0.006 0.000 -0.286) 0.286 5.172 ( 1.678 0.000 0.147) 1.684 5.199 ( 1.285 0.000 -0.029) 1.286 5.451 ( -0.018 -0.000 0.071) 0.073 5.939 ( 1.338 0.000 -1.996) 2.403 6.096 ( -0.633 -0.000 -0.361) 0.729 6.172 ( -2.408 -0.000 -0.885) 2.566 6.214 ( 1.451 0.000 0.184) 1.463 6.342 ( -1.392 -0.000 -0.124) 1.397 7.779 ( 0.125 0.000 -0.196) 0.233 8.149 ( -0.447 -0.000 -0.068) 0.452 8.308 ( -0.161 -0.000 -0.203) 0.260======================= Grid point 359 (155/231) =======================q-point: ( 0.15 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.360 ( 6.636 -10.991 3.662) 13.351 0.719 ( -2.163 -6.625 -1.000) 7.040 0.903 ( 3.155 -15.460 -5.429) 16.687 0.948 ( 4.705 -3.779 8.989) 10.827 1.189 ( -0.819 -3.527 -3.116) 4.777 1.365 ( 2.031 -14.413 4.841) 15.339 1.670 ( -1.170 -9.185 -1.434) 9.370 1.699 ( 1.230 -4.486 5.471) 7.181 1.725 ( -0.249 -9.248 -1.203) 9.329 1.811 ( 0.168 -1.028 0.815) 1.322 1.871 ( 0.058 -4.251 -0.815) 4.328 1.998 ( 0.453 -5.688 -1.559) 5.915 2.061 ( 0.252 -10.409 -0.640) 10.432 2.518 ( -0.689 -0.074 -0.109) 0.702 2.538 ( -0.066 2.727 0.259) 2.741 3.107 ( -0.805 0.281 -0.912) 1.248 3.150 ( -0.483 1.988 -0.742) 2.176 3.412 ( -0.799 2.852 -0.085) 2.963 4.231 ( -0.652 6.374 -0.744) 6.450 4.498 ( -0.229 3.318 0.308) 3.340 4.646 ( 0.194 2.349 -0.214) 2.366 4.881 ( -0.613 -2.520 0.193) 2.601 4.941 ( -0.605 -2.935 -0.013) 2.997 5.032 ( -0.561 -2.091 0.353) 2.194 5.133 ( 0.042 -4.216 -0.529) 4.249 5.241 ( 1.156 -3.585 0.235) 3.774 5.287 ( -0.104 -8.501 -1.269) 8.596 5.441 ( -0.362 0.095 -1.000) 1.068 5.896 ( 0.873 4.591 -2.546) 5.322 6.057 ( -0.556 3.755 -0.062) 3.797 6.117 ( -2.382 4.447 -0.873) 5.120 6.184 ( 0.919 3.480 0.420) 3.624 6.296 ( -1.682 3.920 -0.040) 4.266 7.773 ( 0.160 0.603 -0.069) 0.627 8.137 ( -0.830 0.865 -0.469) 1.287 8.296 ( 0.198 1.281 0.295) 1.330======================= Grid point 360 (156/231) =======================q-point: ( 0.23 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.664 ( -1.444 -17.250 0.981) 17.339 0.875 ( -3.990 -11.075 1.278) 11.841 1.040 ( -2.196 -7.924 -2.372) 8.558 1.146 ( 2.867 -6.560 8.352) 11.001 1.387 ( -1.402 -15.828 -1.424) 15.954 1.657 ( -3.683 -11.511 -4.298) 12.827 1.736 ( 0.076 -2.279 -2.415) 3.321 1.747 ( 1.462 -3.212 8.273) 8.994 1.877 ( 0.939 -0.598 1.371) 1.766 1.959 ( -0.510 -13.934 -1.942) 14.078 2.049 ( 2.595 -15.069 -0.290) 15.294 2.201 ( 1.663 -13.025 -0.109) 13.131 2.303 ( 1.205 -12.499 -1.303) 12.625 2.474 ( 0.882 0.742 -1.157) 1.633 2.552 ( 0.863 -1.903 2.419) 3.196 3.101 ( -0.238 0.542 -1.137) 1.282 3.112 ( 0.274 0.439 -0.477) 0.704 3.339 ( -0.611 4.151 -0.816) 4.275 4.102 ( -0.611 6.446 -0.127) 6.476 4.433 ( -0.274 3.368 0.321) 3.394 4.587 ( -0.057 3.884 -0.266) 3.893 4.938 ( 0.356 -3.221 0.566) 3.290 5.005 ( 0.003 -3.562 0.020) 3.563 5.080 ( 0.275 -3.023 0.433) 3.067 5.215 ( -0.015 -4.119 -0.333) 4.133 5.315 ( -0.236 -3.292 -0.432) 3.329 5.340 ( -1.363 1.679 -0.835) 2.318 5.522 ( -0.411 -7.723 -1.293) 7.841 5.790 ( 0.970 6.004 -2.358) 6.523 5.957 ( -0.304 6.463 0.131) 6.472 5.995 ( -1.477 6.896 -0.647) 7.082 6.111 ( 0.275 4.158 0.476) 4.195 6.195 ( -1.325 5.685 -0.103) 5.839 7.760 ( 0.167 0.788 0.041) 0.807 8.113 ( -0.695 1.061 -0.715) 1.456 8.266 ( 0.577 2.049 0.522) 2.192======================= Grid point 361 (157/231) =======================q-point: ( 0.31 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.956 ( -6.450 -15.599 -3.033) 17.150 1.079 ( -5.570 -12.014 2.503) 13.477 1.185 ( -4.213 -8.622 -1.269) 9.679 1.286 ( 2.738 -5.795 12.244) 13.820 1.607 ( -4.782 -7.356 -2.304) 9.071 1.720 ( -0.706 -2.281 1.531) 2.836 1.758 ( -5.164 -3.380 -3.430) 7.061 1.881 ( -0.285 -2.070 1.820) 2.771 1.922 ( 0.246 -4.299 0.951) 4.410 2.178 ( -2.126 -9.130 -1.543) 9.501 2.286 ( 2.082 -7.244 -0.829) 7.583 2.408 ( 0.523 -8.639 -2.415) 8.985 2.492 ( 3.285 -8.078 -0.091) 8.721 2.557 ( 4.102 -4.306 1.694) 6.184 2.640 ( 2.485 -7.138 0.654) 7.586 3.108 ( 1.544 -2.577 -1.102) 3.199 3.155 ( 1.154 -4.398 -0.584) 4.584 3.271 ( 0.171 2.016 -0.941) 2.231 3.998 ( -0.461 4.066 0.309) 4.104 4.378 ( -0.763 1.991 0.272) 2.149 4.505 ( -0.640 4.300 -0.342) 4.361 4.996 ( 1.217 -2.325 0.628) 2.698 5.056 ( 0.627 -1.292 0.248) 1.457 5.145 ( 1.151 -3.287 0.341) 3.499 5.272 ( -0.315 -1.371 0.089) 1.409 5.284 ( -1.324 2.358 -1.792) 3.244 5.350 ( -0.969 -0.519 -0.226) 1.122 5.637 ( -0.396 -3.965 -0.046) 3.985 5.704 ( 1.391 2.585 -2.502) 3.857 5.825 ( -0.075 7.030 0.264) 7.035 5.866 ( 0.112 5.918 -0.252) 5.924 6.047 ( -0.181 2.577 0.249) 2.595 6.086 ( -0.607 4.987 -0.131) 5.025 7.747 ( 0.158 0.674 0.067) 0.695 8.094 ( -0.165 0.615 -0.770) 0.999 8.229 ( 0.856 2.226 0.390) 2.417======================= Grid point 362 (158/231) =======================q-point: ( 0.38 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( -7.759 -11.981 -4.487) 14.963 1.258 ( -5.730 -9.246 2.629) 11.190 1.311 ( -4.010 -6.649 2.773) 8.244 1.403 ( 1.389 -4.440 10.057) 11.081 1.658 ( -4.634 -2.215 -2.875) 5.886 1.762 ( -2.803 -1.755 2.925) 4.415 1.782 ( -3.831 -2.249 -2.567) 5.130 1.880 ( -3.050 1.023 1.522) 3.559 1.992 ( 0.358 -4.020 -0.755) 4.106 2.275 ( -2.051 -2.074 -1.037) 3.096 2.343 ( -0.016 0.658 -1.367) 1.517 2.504 ( -1.525 -0.866 -4.199) 4.550 2.580 ( 3.331 -1.240 2.603) 4.405 2.661 ( 5.067 -2.379 0.412) 5.613 2.746 ( 4.357 -1.126 0.080) 4.501 3.211 ( 1.053 -6.784 -2.591) 7.337 3.268 ( 2.404 -5.353 -0.796) 5.922 3.313 ( 1.862 -7.511 1.101) 7.816 3.959 ( -0.367 -0.255 0.617) 0.762 4.362 ( -1.423 -0.876 -0.029) 1.672 4.437 ( -1.173 2.074 -0.079) 2.384 5.035 ( 1.794 -1.030 0.449) 2.117 5.055 ( 0.897 1.435 0.301) 1.719 5.203 ( 1.625 -1.759 0.344) 2.419 5.233 ( -0.950 1.633 -0.998) 2.137 5.271 ( -0.692 1.481 -0.294) 1.661 5.336 ( -1.223 1.045 0.016) 1.609 5.664 ( 1.959 -0.196 -1.324) 2.372 5.698 ( -0.520 0.920 -0.386) 1.125 5.712 ( 0.024 3.935 -0.642) 3.987 5.791 ( 1.803 2.100 -0.079) 2.769 6.002 ( -0.300 2.288 -0.122) 2.311 6.024 ( 0.143 1.342 0.405) 1.409 7.737 ( 0.114 0.474 0.049) 0.490 8.088 ( 0.381 -0.043 -0.668) 0.770 8.193 ( 0.892 2.041 0.085) 2.229======================= Grid point 363 (159/231) =======================q-point: ( 0.46 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( -5.269 -4.603 -1.571) 7.170 1.378 ( -3.234 -3.298 3.208) 5.623 1.423 ( -1.538 -7.785 3.221) 8.564 1.502 ( -2.499 -5.033 3.488) 6.613 1.652 ( -3.751 -0.821 -0.689) 3.902 1.783 ( -2.323 -1.488 2.662) 3.834 1.827 ( -1.775 -3.181 -0.112) 3.645 1.853 ( -3.910 -0.819 -0.267) 4.004 2.067 ( -0.542 -3.885 -2.755) 4.793 2.229 ( -2.761 4.964 -0.288) 5.687 2.299 ( 1.497 3.460 0.197) 3.775 2.472 ( -2.553 1.424 -3.668) 4.690 2.569 ( 2.833 3.950 1.938) 5.233 2.667 ( 4.444 3.424 -0.280) 5.617 2.726 ( 3.806 4.503 0.513) 5.918 3.325 ( -0.148 -5.355 -2.820) 6.054 3.398 ( 2.292 -6.491 -0.199) 6.887 3.487 ( 2.014 -8.087 0.757) 8.368 3.995 ( -0.300 -2.959 0.556) 3.026 4.389 ( -1.618 -2.372 -0.469) 2.910 4.424 ( -0.980 -1.076 0.570) 1.563 5.025 ( 1.055 1.783 0.220) 2.083 5.059 ( 1.811 -0.761 0.502) 2.028 5.192 ( -0.402 1.501 -0.922) 1.807 5.224 ( -0.738 2.780 0.037) 2.877 5.237 ( 0.814 -0.452 -0.100) 0.937 5.311 ( -0.899 0.923 0.435) 1.360 5.648 ( 0.711 1.878 0.512) 2.073 5.671 ( 0.934 0.712 -1.249) 1.714 5.685 ( 0.346 0.334 -1.385) 1.466 5.788 ( 1.317 -0.196 -0.857) 1.584 5.974 ( 0.328 0.846 -0.024) 0.908 6.010 ( 0.186 0.503 0.688) 0.872 7.730 ( 0.061 0.274 0.021) 0.282 8.095 ( 0.573 -0.505 -0.474) 0.899 8.160 ( 0.609 1.782 -0.140) 1.888======================= Grid point 364 (160/231) =======================q-point: ( 0.54 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( -0.388 -1.911 -0.661) 2.059 1.417 ( -1.440 -2.452 1.742) 3.335 1.500 ( -0.888 -0.959 0.559) 1.421 1.586 ( -0.903 -4.372 2.169) 4.964 1.704 ( -1.018 -4.703 2.750) 5.542 1.776 ( -1.933 1.620 2.540) 3.580 1.835 ( -2.758 -1.534 -1.120) 3.349 1.924 ( -0.565 -4.271 0.697) 4.364 2.072 ( -3.676 3.192 -3.035) 5.737 2.163 ( 1.293 -0.657 1.174) 1.866 2.244 ( 1.266 2.398 0.006) 2.711 2.445 ( -1.382 0.191 -1.415) 1.987 2.496 ( 1.172 3.707 1.245) 4.082 2.607 ( 2.470 3.524 -0.667) 4.354 2.653 ( 1.751 3.479 -0.634) 3.946 3.392 ( -0.083 -1.708 -1.021) 1.991 3.492 ( 0.908 -2.279 -0.609) 2.528 3.601 ( 0.631 -2.906 -0.127) 2.976 4.042 ( -0.149 -1.625 0.315) 1.662 4.421 ( -0.509 -1.351 -0.115) 1.449 4.451 ( -0.530 -1.418 0.453) 1.580 5.005 ( 0.573 0.790 -0.101) 0.981 5.090 ( 1.434 -1.740 0.859) 2.413 5.147 ( -1.153 2.879 -1.696) 3.535 5.187 ( -0.049 0.568 0.352) 0.670 5.239 ( 0.218 0.340 -0.022) 0.405 5.300 ( -0.287 0.033 0.487) 0.566 5.634 ( 0.493 0.398 0.893) 1.095 5.657 ( -0.187 0.346 -0.265) 0.474 5.680 ( 0.752 0.684 -2.369) 2.578 5.794 ( 0.552 0.052 -0.967) 1.114 5.964 ( 0.254 0.395 -0.164) 0.497 6.007 ( 0.114 0.020 0.472) 0.486 7.727 ( 0.027 0.080 -0.022) 0.087 8.109 ( 0.376 -0.631 -0.248) 0.775 8.131 ( 0.099 1.450 -0.141) 1.460======================= Grid point 365 (161/231) =======================q-point: (-0.38 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 2.322 -0.190 -0.109) 2.333 1.454 ( -0.264 -1.463 -1.283) 1.963 1.535 ( 3.074 -2.500 1.463) 4.223 1.584 ( -2.201 4.058 -0.232) 4.622 1.740 ( -0.416 2.288 -0.279) 2.343 1.790 ( 1.203 -3.149 4.491) 5.616 1.841 ( 0.361 0.024 1.451) 1.495 1.942 ( 0.528 2.481 0.123) 2.540 2.049 ( 1.496 -1.204 4.814) 5.183 2.192 ( 0.304 -2.323 -2.583) 3.487 2.245 ( -0.538 -2.355 -1.644) 2.922 2.428 ( 1.175 0.825 3.399) 3.690 2.492 ( -0.851 -2.507 -0.818) 2.771 2.581 ( -0.421 -0.484 -1.235) 1.391 2.635 ( -1.791 -1.926 -2.396) 3.557 3.379 ( 0.101 3.050 0.736) 3.140 3.482 ( -0.248 3.456 -0.703) 3.535 3.594 ( -0.861 3.458 -1.143) 3.743 4.045 ( 0.057 1.304 0.110) 1.310 4.429 ( 0.843 0.657 0.533) 1.194 4.460 ( 0.013 0.401 -0.032) 0.403 5.001 ( -0.328 -0.463 -0.770) 0.956 5.084 ( -1.213 2.253 -1.606) 3.021 5.139 ( 0.856 -2.029 1.676) 2.768 5.196 ( 0.279 -1.510 -0.318) 1.568 5.232 ( -0.185 0.397 0.300) 0.532 5.307 ( 0.042 -0.767 0.007) 0.768 5.629 ( -0.314 0.368 0.876) 1.001 5.659 ( 0.001 -0.501 -0.456) 0.677 5.664 ( -0.001 0.509 -1.532) 1.614 5.787 ( 0.101 0.736 -0.542) 0.920 5.963 ( -0.051 -0.190 -0.290) 0.350 6.010 ( -0.288 -0.390 -0.459) 0.668 7.728 ( -0.001 -0.106 -0.090) 0.139 8.101 ( -0.189 1.236 0.078) 1.253 8.128 ( -0.108 -0.985 -0.092) 0.995======================= Grid point 366 (162/231) =======================q-point: (-0.31 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( 4.386 5.543 5.190) 8.769 1.460 ( -0.707 1.907 -3.471) 4.023 1.481 ( -0.818 2.984 -3.731) 4.847 1.568 ( 1.908 2.907 -0.523) 3.516 1.680 ( 2.100 2.216 3.143) 4.382 1.834 ( -0.516 -0.334 -1.787) 1.890 1.859 ( 2.640 0.736 2.122) 3.466 1.882 ( 3.922 2.334 5.112) 6.853 2.056 ( 1.019 1.654 0.609) 2.037 2.268 ( 1.993 -3.602 0.835) 4.200 2.297 ( -0.661 -3.430 -1.163) 3.682 2.452 ( 2.293 -1.586 4.097) 4.956 2.540 ( -2.235 -2.740 -1.127) 3.711 2.604 ( -2.607 -2.074 -1.623) 3.706 2.681 ( -3.501 -3.300 -2.267) 5.318 3.290 ( 0.393 6.276 1.973) 6.591 3.372 ( -0.955 7.234 -0.971) 7.361 3.473 ( -1.580 8.089 -2.010) 8.483 4.003 ( 0.041 2.752 -0.155) 2.757 4.407 ( 1.244 2.141 0.901) 2.635 4.444 ( 0.403 0.837 -0.201) 0.950 5.019 ( -0.686 -1.646 -1.044) 2.066 5.047 ( -1.229 0.903 -1.621) 2.226 5.177 ( 0.250 -1.640 1.702) 2.377 5.219 ( -0.248 0.743 1.058) 1.316 5.242 ( 0.395 -2.475 -0.841) 2.644 5.327 ( 0.338 -1.124 0.000) 1.173 5.623 ( -0.516 0.182 1.253) 1.367 5.662 ( -0.242 -1.374 -1.883) 2.343 5.684 ( 0.374 -1.730 -0.019) 1.770 5.769 ( -0.597 0.826 -0.604) 1.185 5.971 ( -0.222 -0.936 -0.238) 0.992 6.019 ( -0.266 -0.741 -1.092) 1.346 7.731 ( -0.042 -0.281 -0.175) 0.334 8.081 ( -0.237 0.736 0.402) 0.871 8.151 ( -0.349 -1.537 -0.117) 1.581======================= Grid point 367 (163/231) =======================q-point: (-0.23 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( 4.300 11.379 7.951) 14.532 1.363 ( 0.785 7.595 -2.304) 7.975 1.405 ( 1.369 8.687 -2.032) 9.026 1.478 ( -4.059 3.094 -6.520) 8.279 1.660 ( 2.490 2.930 5.019) 6.323 1.794 ( 3.351 3.499 4.610) 6.687 1.833 ( 0.772 0.886 -1.467) 1.879 1.942 ( 1.613 -2.726 -0.606) 3.225 1.996 ( 0.446 5.035 -0.491) 5.078 2.279 ( 0.336 2.571 1.005) 2.781 2.347 ( 1.910 0.648 1.728) 2.656 2.481 ( 2.904 1.662 2.802) 4.364 2.548 ( -3.199 0.596 -1.316) 3.510 2.596 ( -3.240 2.175 -2.143) 4.452 2.684 ( -2.436 1.729 0.002) 2.987 3.172 ( 0.133 6.192 0.917) 6.261 3.237 ( -0.775 5.423 -1.059) 5.580 3.307 ( -1.028 7.175 -1.773) 7.461 3.968 ( -0.056 0.276 -0.212) 0.353 4.378 ( 0.672 1.002 0.523) 1.315 4.451 ( 0.582 -1.657 0.251) 1.774 5.022 ( -1.019 0.765 -1.373) 1.873 5.052 ( -0.634 -1.376 -1.031) 1.832 5.183 ( -0.883 1.816 -0.123) 2.023 5.223 ( 0.964 -1.876 2.428) 3.216 5.282 ( 0.409 -1.201 -0.327) 1.310 5.348 ( 0.527 -0.820 0.583) 1.136 5.624 ( -0.356 -0.748 0.939) 1.252 5.713 ( 1.441 0.511 -0.259) 1.551 5.721 ( -0.257 -5.098 -1.866) 5.434 5.769 ( -1.379 -2.858 -0.832) 3.280 6.006 ( 0.129 -2.979 0.009) 2.982 6.032 ( -0.192 -1.015 -1.125) 1.527 7.737 ( -0.092 -0.471 -0.258) 0.545 8.075 ( 0.122 -0.114 0.697) 0.717 8.183 ( -0.458 -2.125 -0.353) 2.203======================= Grid point 368 (164/231) =======================q-point: (-0.15 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( 4.611 14.800 6.975) 16.999 1.175 ( 0.097 11.708 1.158) 11.766 1.191 ( -1.664 12.664 -1.456) 12.855 1.368 ( -4.817 5.959 -8.554) 11.484 1.618 ( 2.924 4.465 5.684) 7.797 1.745 ( -2.186 6.578 -2.948) 7.533 1.768 ( 6.417 6.349 7.957) 12.034 1.888 ( -0.916 2.010 -1.818) 2.861 1.944 ( -1.847 5.449 -1.401) 5.922 2.193 ( 1.783 7.768 0.938) 8.025 2.256 ( -0.355 9.285 0.371) 9.299 2.394 ( 2.154 8.449 1.217) 8.804 2.457 ( -0.999 6.686 -1.461) 6.917 2.507 ( -3.202 5.507 -1.897) 6.647 2.612 ( -0.714 4.174 1.237) 4.412 3.090 ( 0.009 1.629 -0.968) 1.895 3.149 ( -0.254 3.313 -1.678) 3.722 3.262 ( 0.481 -2.157 0.618) 2.295 4.003 ( 0.029 -3.861 0.274) 3.871 4.387 ( 0.091 -1.731 0.123) 1.738 4.510 ( 0.386 -3.947 0.316) 3.978 4.992 ( -0.815 1.959 -1.272) 2.474 5.051 ( -0.363 1.309 -0.401) 1.417 5.134 ( -0.530 2.785 -0.331) 2.854 5.266 ( 0.723 0.450 1.943) 2.122 5.287 ( 0.905 -1.133 0.535) 1.546 5.355 ( 0.509 0.680 0.894) 1.234 5.653 ( -0.874 1.084 0.292) 1.423 5.680 ( 1.529 -0.704 -2.219) 2.785 5.836 ( -0.267 -7.073 -1.506) 7.237 5.863 ( 0.124 -6.789 0.248) 6.795 6.054 ( -0.122 -2.304 -0.795) 2.440 6.093 ( 0.218 -5.521 0.113) 5.526 7.747 ( -0.127 -0.671 -0.312) 0.750 8.088 ( 0.539 -0.959 0.858) 1.395 8.224 ( -0.503 -2.464 -0.675) 2.604======================= Grid point 369 (165/231) =======================q-point: (-0.08 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.681 ( -0.460 19.533 1.482) 19.595 0.941 ( -1.067 12.062 -2.809) 12.430 0.980 ( 1.803 9.536 9.990) 13.928 1.201 ( -5.265 8.474 -9.244) 13.601 1.394 ( 1.600 17.669 1.107) 17.776 1.606 ( 3.486 11.819 10.324) 16.076 1.699 ( 1.079 4.080 3.155) 5.269 1.803 ( -2.270 2.856 -3.178) 4.838 1.870 ( -1.271 1.961 -0.310) 2.358 1.976 ( 0.274 12.518 -3.180) 12.918 2.025 ( -0.039 14.536 -0.185) 14.537 2.183 ( 0.028 12.770 -0.015) 12.770 2.294 ( 0.613 12.969 -0.464) 12.992 2.463 ( 0.451 -3.447 -0.682) 3.542 2.553 ( -1.441 1.829 -0.416) 2.365 3.105 ( 0.573 -2.203 -0.586) 2.351 3.117 ( -0.407 0.106 -1.884) 1.931 3.338 ( 0.700 -4.472 1.114) 4.661 4.103 ( 0.352 -6.324 0.955) 6.405 4.436 ( -0.126 -3.194 0.060) 3.197 4.587 ( 0.125 -3.832 -0.136) 3.836 4.940 ( -0.559 2.924 -0.768) 3.074 5.005 ( 0.006 3.216 0.019) 3.216 5.079 ( -0.322 2.638 -0.230) 2.668 5.211 ( 0.381 4.239 0.652) 4.306 5.304 ( 0.713 3.110 1.882) 3.704 5.355 ( 0.532 -1.867 -0.151) 1.947 5.538 ( -0.208 8.368 -2.807) 8.828 5.775 ( 1.371 -6.089 -0.378) 6.253 5.965 ( -0.341 -6.555 -1.103) 6.656 6.006 ( 0.609 -7.633 0.574) 7.679 6.111 ( -0.370 -3.759 -0.502) 3.811 6.207 ( 0.054 -6.116 0.087) 6.117 7.760 ( -0.110 -0.767 -0.299) 0.831 8.114 ( 0.617 -1.342 0.790) 1.675 8.266 ( -0.523 -2.229 -0.838) 2.438======================= Grid point 372 (166/231) =======================q-point: ( 0.15 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.350 ( 8.949 0.000 0.369) 8.957 0.650 ( 5.401 0.000 -5.670) 7.831 0.754 ( 8.630 0.000 5.183) 10.067 0.954 ( 6.346 0.000 4.145) 7.580 1.149 ( -5.969 -0.000 -10.095) 11.728 1.240 ( 5.654 0.000 10.523) 11.946 1.560 ( 2.036 0.000 -0.393) 2.074 1.591 ( -0.866 -0.000 0.218) 0.893 1.688 ( -1.127 -0.000 1.719) 2.056 1.798 ( -0.435 -0.000 -0.035) 0.436 1.828 ( 0.502 0.000 3.171) 3.210 1.924 ( -0.527 -0.000 -0.128) 0.542 1.987 ( -0.897 -0.000 -2.345) 2.511 2.516 ( -0.041 -0.000 0.710) 0.711 2.564 ( -1.303 -0.000 -0.165) 1.313 3.105 ( -1.027 -0.000 -0.532) 1.156 3.165 ( -1.017 -0.000 -0.791) 1.288 3.434 ( -1.396 -0.000 -0.526) 1.492 4.294 ( -1.641 -0.000 -2.471) 2.966 4.535 ( -0.789 -0.000 0.060) 0.792 4.672 ( 0.705 0.000 0.559) 0.900 4.848 ( -1.518 -0.000 -0.119) 1.523 4.906 ( -1.020 -0.000 0.057) 1.022 5.001 ( -1.437 -0.000 0.121) 1.442 5.084 ( 0.211 0.000 -0.495) 0.538 5.192 ( 2.598 0.000 0.262) 2.612 5.214 ( 2.045 0.000 -0.045) 2.046 5.442 ( -1.537 -0.000 -1.921) 2.460 5.940 ( 0.230 0.000 -3.796) 3.803 6.090 ( -0.667 -0.000 0.374) 0.765 6.146 ( -2.748 -0.000 -0.857) 2.878 6.225 ( 0.748 0.000 0.159) 0.765 6.325 ( -2.405 -0.000 -0.062) 2.406 7.780 ( 0.231 0.000 -0.018) 0.232 8.139 ( -1.432 -0.000 -0.953) 1.720 8.310 ( 0.401 0.000 0.811) 0.905======================= Grid point 373 (167/231) =======================q-point: ( 0.23 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.436 ( 7.210 -6.810 3.461) 10.504 0.718 ( 2.460 -5.043 1.384) 5.779 0.894 ( 0.671 -6.394 -7.533) 9.904 1.038 ( 6.877 -8.376 11.027) 15.461 1.162 ( -2.002 -4.464 -4.708) 6.790 1.397 ( 2.767 -12.463 2.714) 13.052 1.654 ( -1.099 -4.953 -1.942) 5.433 1.715 ( 0.061 -7.604 0.525) 7.622 1.716 ( -0.555 -8.973 -0.982) 9.043 1.829 ( 1.655 -3.077 4.599) 5.776 1.876 ( 1.104 -3.663 1.735) 4.201 1.998 ( 0.391 -6.715 -1.420) 6.874 2.062 ( 0.372 -11.292 -0.864) 11.331 2.500 ( -2.527 1.629 -2.422) 3.860 2.550 ( 1.734 0.461 3.545) 3.973 3.098 ( -0.761 0.118 -0.346) 0.844 3.142 ( -0.843 1.677 -0.777) 2.031 3.400 ( -1.534 2.685 -1.224) 3.326 4.218 ( -1.585 5.842 -1.763) 6.305 4.496 ( -0.260 3.129 0.373) 3.161 4.649 ( 0.475 2.625 0.284) 2.683 4.876 ( -0.631 -3.164 0.574) 3.277 4.934 ( -0.800 -3.187 -0.066) 3.286 5.026 ( -0.804 -2.659 0.481) 2.819 5.131 ( -0.153 -4.190 -0.984) 4.307 5.253 ( 1.406 -2.890 -0.173) 3.219 5.287 ( 0.349 -6.655 -0.068) 6.664 5.428 ( -1.349 -0.617 -2.661) 3.047 5.892 ( 0.005 4.296 -3.957) 5.841 6.052 ( -0.548 3.668 0.588) 3.755 6.093 ( -2.355 4.165 -0.730) 4.840 6.192 ( 0.488 3.540 0.409) 3.597 6.277 ( -2.304 3.631 -0.070) 4.301 7.775 ( 0.243 0.614 0.111) 0.670 8.124 ( -1.489 0.662 -1.206) 2.028 8.302 ( 0.631 1.253 1.097) 1.781======================= Grid point 374 (168/231) =======================q-point: ( 0.31 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.647 ( -2.426 -13.383 -1.315) 13.664 0.863 ( 0.226 -8.842 5.046) 10.183 0.999 ( -4.276 -8.150 -4.619) 10.298 1.207 ( 4.503 -5.232 12.650) 14.411 1.367 ( -2.135 -15.174 -2.571) 15.538 1.599 ( -5.594 -6.910 -6.158) 10.815 1.733 ( -0.108 -2.515 -2.172) 3.325 1.771 ( 0.091 -5.598 5.297) 7.708 1.894 ( 1.711 -1.140 2.551) 3.276 1.952 ( -0.208 -11.976 -0.468) 11.987 2.073 ( 2.859 -15.562 -0.501) 15.830 2.214 ( 1.315 -12.853 -0.532) 12.931 2.316 ( 2.441 -12.310 -1.503) 12.640 2.476 ( 0.314 -2.846 -1.502) 3.233 2.571 ( 1.843 -1.163 3.793) 4.374 3.097 ( -0.098 -0.039 -1.120) 1.125 3.114 ( 0.384 -0.026 -0.027) 0.386 3.328 ( -1.160 3.739 -1.853) 4.331 4.094 ( -0.910 6.070 -0.551) 6.162 4.431 ( -0.250 3.528 0.522) 3.575 4.586 ( -0.093 4.161 -0.338) 4.175 4.945 ( 0.701 -3.625 1.204) 3.883 5.005 ( 0.057 -4.018 0.052) 4.019 5.084 ( 0.385 -3.434 0.716) 3.529 5.212 ( -0.358 -4.257 -0.906) 4.367 5.305 ( -1.319 -1.012 -2.069) 2.654 5.327 ( -1.028 -0.014 -0.396) 1.102 5.517 ( -0.289 -7.590 -0.950) 7.655 5.791 ( 0.519 5.469 -3.082) 6.299 5.955 ( -0.162 6.355 0.771) 6.404 5.980 ( -1.467 6.231 -0.745) 6.445 6.115 ( 0.258 4.382 0.653) 4.438 6.181 ( -1.617 5.282 -0.228) 5.528 7.762 ( 0.234 0.813 0.181) 0.865 8.103 ( -1.014 0.700 -1.231) 1.742 8.274 ( 0.853 2.032 0.984) 2.413======================= Grid point 375 (169/231) =======================q-point: ( 0.38 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.888 ( -6.765 -14.352 -4.076) 16.381 1.043 ( -3.950 -10.363 3.611) 11.663 1.147 ( -3.622 -9.020 1.767) 9.880 1.342 ( 2.741 -5.157 12.548) 13.840 1.559 ( -4.604 -6.303 -2.540) 8.208 1.666 ( -7.114 -5.049 -6.045) 10.613 1.748 ( 0.141 -1.446 2.569) 2.952 1.869 ( -3.003 -1.763 0.835) 3.581 1.931 ( 1.381 -2.529 0.855) 3.006 2.157 ( -1.758 -9.048 -1.071) 9.279 2.302 ( 1.842 -5.737 -1.066) 6.119 2.406 ( 0.482 -8.779 -3.661) 9.524 2.523 ( 3.231 -8.091 0.840) 8.753 2.595 ( 3.309 -4.248 1.902) 5.711 2.667 ( 3.214 -8.562 0.223) 9.148 3.119 ( 1.460 -3.056 -1.089) 3.558 3.165 ( 1.470 -4.913 -0.239) 5.134 3.269 ( -0.037 1.124 -1.371) 1.773 3.994 ( -0.467 3.894 0.331) 3.936 4.371 ( -0.776 2.346 0.367) 2.498 4.498 ( -0.748 4.577 -0.529) 4.668 5.011 ( 1.620 -2.543 1.162) 3.232 5.063 ( 0.797 -1.448 0.490) 1.724 5.157 ( 1.224 -3.590 0.471) 3.822 5.264 ( -1.846 2.193 -2.307) 3.680 5.269 ( -0.415 -1.646 -0.471) 1.762 5.339 ( -1.229 -0.241 -0.551) 1.368 5.634 ( -0.251 -4.486 -0.397) 4.510 5.709 ( 1.003 2.768 -2.528) 3.881 5.827 ( 0.352 6.898 0.952) 6.973 5.867 ( 0.126 4.996 -0.409) 5.015 6.046 ( -0.141 2.860 0.574) 2.920 6.080 ( -0.651 4.457 -0.274) 4.512 7.749 ( 0.191 0.713 0.149) 0.753 8.089 ( -0.296 0.227 -1.082) 1.145 8.238 ( 0.970 2.264 0.571) 2.528======================= Grid point 376 (170/231) =======================q-point: ( 0.46 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( -7.970 -11.942 -4.539) 15.058 1.223 ( -3.721 -10.059 4.356) 11.576 1.290 ( -2.580 -7.143 4.906) 9.041 1.433 ( 0.135 -2.663 8.085) 8.514 1.615 ( -3.520 -2.421 -0.626) 4.318 1.701 ( -6.531 -3.735 -4.561) 8.798 1.779 ( -0.267 -1.097 2.172) 2.448 1.851 ( -3.727 0.835 0.506) 3.853 1.994 ( 0.345 -3.485 -0.979) 3.636 2.252 ( -2.076 -1.776 -0.880) 2.871 2.347 ( 0.996 0.531 -1.199) 1.647 2.479 ( -1.910 0.176 -4.116) 4.541 2.614 ( 2.877 -1.500 2.356) 4.010 2.704 ( 4.183 -2.494 0.283) 4.879 2.784 ( 3.801 -1.197 -0.115) 3.987 3.212 ( 0.464 -5.680 -2.626) 6.275 3.286 ( 2.154 -6.027 -0.977) 6.474 3.334 ( 2.120 -8.132 1.405) 8.520 3.958 ( -0.273 -0.285 0.786) 0.880 4.349 ( -1.392 -0.575 -0.099) 1.510 4.426 ( -1.137 2.068 -0.152) 2.365 5.053 ( 2.049 -0.900 0.751) 2.360 5.066 ( 1.113 1.256 0.645) 1.798 5.218 ( 0.871 -0.061 -0.217) 0.900 5.220 ( -0.749 -0.357 -1.229) 1.483 5.264 ( -0.562 1.552 -0.145) 1.657 5.325 ( -1.385 0.840 -0.055) 1.621 5.673 ( 1.160 -0.087 -2.489) 2.747 5.689 ( -0.900 0.046 -0.974) 1.327 5.720 ( 1.409 4.580 1.183) 4.936 5.806 ( 1.450 1.769 -0.352) 2.315 6.001 ( -0.044 1.956 0.243) 1.972 6.025 ( 0.007 1.271 0.347) 1.318 7.738 ( 0.121 0.514 0.087) 0.535 8.089 ( 0.258 -0.298 -0.831) 0.920 8.201 ( 0.865 2.168 0.122) 2.337======================= Grid point 377 (171/231) =======================q-point: ( 0.54 0.15 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.250 ( -4.355 -7.526 -2.139) 8.954 1.359 ( -2.559 -4.182 4.130) 6.410 1.421 ( -0.703 -7.270 4.563) 8.612 1.489 ( -1.927 -3.861 2.874) 5.184 1.623 ( -2.516 -1.728 0.219) 3.060 1.753 ( -4.209 -3.620 0.073) 5.552 1.813 ( -2.502 -0.016 -0.012) 2.502 1.829 ( -1.019 -3.123 0.263) 3.295 2.048 ( -1.800 -2.349 -3.780) 4.801 2.216 ( -0.621 3.604 1.469) 3.941 2.312 ( 1.395 3.186 -0.253) 3.487 2.440 ( -2.610 1.213 -3.790) 4.759 2.597 ( 2.311 4.453 1.859) 5.351 2.703 ( 3.692 3.781 -0.155) 5.287 2.755 ( 2.629 4.896 0.138) 5.559 3.317 ( -0.204 -5.487 -2.339) 5.968 3.416 ( 1.804 -6.042 -0.655) 6.340 3.505 ( 1.585 -7.537 0.848) 7.748 3.994 ( -0.194 -2.935 0.671) 3.017 4.375 ( -1.338 -2.544 -0.476) 2.914 4.417 ( -0.830 -1.325 0.508) 1.644 5.036 ( 1.187 1.878 0.461) 2.270 5.077 ( 1.884 -0.561 0.713) 2.091 5.184 ( -0.778 1.700 -1.302) 2.278 5.215 ( -1.090 2.238 -0.401) 2.521 5.246 ( 0.903 0.104 0.064) 0.911 5.305 ( -0.666 0.579 0.650) 1.096 5.655 ( 0.555 1.438 -0.147) 1.548 5.670 ( -0.452 1.106 -0.628) 1.350 5.692 ( 1.543 0.427 -1.421) 2.141 5.797 ( 1.059 0.192 -0.988) 1.461 5.979 ( 0.647 0.810 0.302) 1.080 6.012 ( -0.041 0.422 0.576) 0.715 7.731 ( 0.064 0.302 0.034) 0.311 8.099 ( 0.408 -0.563 -0.535) 0.878 8.165 ( 0.509 1.986 -0.137) 2.055======================= Grid point 378 (172/231) =======================q-point: ( 0.62 0.15 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( 1.080 -3.483 -0.099) 3.648 1.406 ( -1.642 -2.477 2.218) 3.708 1.500 ( 0.679 -2.254 0.279) 2.370 1.578 ( -2.020 -4.067 1.598) 4.814 1.702 ( -0.567 -5.994 1.429) 6.188 1.760 ( -2.491 1.452 2.160) 3.603 1.807 ( -2.863 -3.072 -0.516) 4.230 1.923 ( -0.017 -4.383 0.857) 4.467 2.039 ( -2.349 0.619 -1.336) 2.772 2.179 ( 1.403 0.434 1.314) 1.971 2.254 ( 1.123 3.038 -0.423) 3.266 2.426 ( -1.755 -1.373 -2.225) 3.149 2.509 ( 0.905 4.713 1.291) 4.970 2.628 ( 2.462 4.707 -0.573) 5.343 2.664 ( 0.814 4.655 -0.714) 4.780 3.390 ( -0.015 -2.008 -0.736) 2.139 3.498 ( 0.754 -1.759 -0.758) 2.058 3.604 ( 0.187 -2.162 -0.175) 2.177 4.042 ( -0.058 -1.667 0.370) 1.709 4.417 ( -0.352 -2.034 -0.266) 2.081 4.448 ( -0.352 -1.556 0.589) 1.700 5.010 ( 0.686 1.304 0.119) 1.478 5.104 ( 1.281 -1.375 0.860) 2.067 5.133 ( -1.051 2.670 -1.560) 3.266 5.185 ( -0.353 0.416 -0.118) 0.558 5.241 ( 0.143 0.495 0.005) 0.515 5.299 ( -0.109 -0.039 0.570) 0.581 5.639 ( 0.205 0.680 0.651) 0.963 5.655 ( -0.147 0.219 -0.153) 0.304 5.681 ( 0.669 1.007 -2.264) 2.566 5.796 ( 0.512 0.209 -0.978) 1.123 5.969 ( 0.654 0.641 0.248) 0.949 6.007 ( -0.320 0.189 0.083) 0.380 7.727 ( 0.029 0.101 -0.020) 0.107 8.111 ( 0.291 -0.595 -0.254) 0.709 8.131 ( 0.031 1.687 -0.136) 1.693======================= Grid point 379 (173/231) =======================q-point: (-0.31 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( 3.408 -0.882 1.331) 3.764 1.446 ( -1.059 -1.925 -0.552) 2.265 1.554 ( -2.623 2.884 -3.454) 5.209 1.565 ( 1.641 -1.748 2.485) 3.453 1.734 ( -0.733 0.511 1.262) 1.546 1.793 ( -1.512 -1.619 0.419) 2.254 1.861 ( 2.385 -2.397 4.134) 5.341 1.943 ( -0.425 0.604 -0.403) 0.841 2.077 ( 1.714 -1.439 6.204) 6.596 2.192 ( 0.908 -2.487 -2.323) 3.522 2.234 ( -0.907 -1.655 -1.832) 2.630 2.445 ( 0.960 -0.146 2.883) 3.043 2.483 ( -0.882 -2.366 -1.102) 2.755 2.578 ( 0.387 0.823 -1.568) 1.812 2.613 ( -1.638 -0.227 -2.273) 2.811 3.384 ( 0.429 2.747 0.891) 2.920 3.479 ( 0.045 3.885 -0.863) 3.979 3.583 ( -0.829 4.027 -1.200) 4.283 4.046 ( 0.035 1.306 0.121) 1.312 4.437 ( 0.661 0.072 0.360) 0.755 4.459 ( -0.176 0.353 0.156) 0.425 4.998 ( -0.072 -0.005 -0.548) 0.552 5.071 ( -0.918 2.300 -1.442) 2.866 5.150 ( 0.773 -1.763 1.736) 2.592 5.196 ( -0.089 -1.824 -0.851) 2.015 5.232 ( -0.039 0.527 0.343) 0.630 5.308 ( -0.005 -0.816 0.122) 0.825 5.627 ( -0.449 0.505 0.710) 0.980 5.658 ( 0.132 0.122 -1.536) 1.546 5.664 ( 0.324 0.026 -0.389) 0.507 5.787 ( 0.245 0.919 -0.521) 1.085 5.964 ( 0.276 0.116 0.078) 0.309 6.004 ( -0.573 -0.330 -0.774) 1.018 7.727 ( -0.000 -0.081 -0.087) 0.118 8.100 ( -0.049 1.352 0.064) 1.354 8.127 ( -0.056 -0.908 -0.099) 0.915======================= Grid point 380 (174/231) =======================q-point: (-0.23 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 2.853 5.162 5.616) 8.144 1.442 ( -1.452 2.481 -2.239) 3.644 1.466 ( -0.923 1.042 -2.834) 3.158 1.571 ( -0.856 4.877 -1.087) 5.070 1.710 ( 2.495 0.931 3.956) 4.769 1.816 ( -2.346 -1.279 -1.760) 3.199 1.880 ( 1.232 0.930 1.138) 1.918 1.919 ( 1.954 2.303 3.569) 4.675 2.063 ( 0.358 2.087 0.206) 2.127 2.276 ( -0.656 -2.416 -0.546) 2.562 2.303 ( 1.987 -5.951 1.480) 6.446 2.480 ( 1.649 -2.095 3.353) 4.284 2.524 ( -0.437 -1.897 -0.888) 2.140 2.584 ( -0.903 -1.069 -2.213) 2.618 2.647 ( -2.652 -3.430 -2.209) 4.866 3.301 ( 1.088 6.163 2.107) 6.604 3.363 ( -0.292 7.586 -1.424) 7.724 3.456 ( -1.028 8.266 -1.940) 8.552 4.002 ( -0.077 2.820 -0.110) 2.824 4.418 ( 0.709 2.274 0.885) 2.542 4.445 ( -0.109 0.492 -0.206) 0.544 5.012 ( -0.266 -1.580 -0.772) 1.778 5.035 ( -0.659 0.998 -1.335) 1.793 5.182 ( 0.166 -1.337 1.364) 1.917 5.220 ( 0.010 0.725 0.877) 1.138 5.242 ( 0.114 -2.704 -0.810) 2.825 5.329 ( 0.090 -1.299 0.085) 1.305 5.623 ( -0.198 0.079 1.129) 1.149 5.657 ( 0.118 -1.255 -1.989) 2.354 5.688 ( 0.434 -2.059 0.003) 2.104 5.764 ( -0.152 1.397 -0.617) 1.535 5.970 ( 0.007 -0.918 -0.008) 0.918 6.013 ( -0.370 -0.828 -1.106) 1.430 7.730 ( -0.031 -0.249 -0.153) 0.294 8.081 ( 0.040 0.654 0.305) 0.723 8.148 ( -0.098 -1.419 -0.125) 1.428======================= Grid point 381 (175/231) =======================q-point: (-0.15 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( 3.082 10.251 8.259) 13.520 1.357 ( -1.525 7.467 -0.749) 7.658 1.401 ( -1.643 9.728 -1.637) 10.001 1.427 ( -3.835 3.853 -5.393) 7.658 1.690 ( 1.782 2.577 4.815) 5.745 1.796 ( -2.075 2.167 -1.779) 3.488 1.856 ( 2.216 1.869 3.508) 4.551 1.941 ( -1.379 -2.976 -1.265) 3.515 1.998 ( 0.251 5.533 -0.528) 5.564 2.280 ( -0.124 2.006 0.323) 2.036 2.373 ( 1.975 1.178 2.288) 3.243 2.516 ( 2.066 0.373 1.930) 2.852 2.522 ( -0.292 2.579 -1.040) 2.796 2.568 ( -1.654 2.603 -2.843) 4.195 2.672 ( -0.309 0.620 0.353) 0.777 3.178 ( 0.957 7.179 0.515) 7.261 3.232 ( 0.222 5.164 -1.132) 5.291 3.296 ( -0.435 6.526 -1.476) 6.705 3.966 ( -0.203 0.243 -0.087) 0.329 4.382 ( 0.060 1.191 0.442) 1.272 4.455 ( 0.037 -1.800 0.191) 1.811 5.013 ( -0.282 0.893 -0.991) 1.363 5.046 ( -0.203 -1.452 -0.690) 1.620 5.178 ( -0.187 1.910 -0.033) 1.919 5.235 ( 0.606 -2.150 1.817) 2.879 5.283 ( 0.076 -1.277 -0.410) 1.343 5.352 ( 0.058 -1.015 0.444) 1.109 5.625 ( 0.312 -0.644 0.690) 0.995 5.711 ( -0.257 -3.292 -1.819) 3.770 5.729 ( 1.443 -0.162 -0.318) 1.487 5.756 ( -0.901 -3.998 -0.652) 4.150 6.007 ( 0.184 -3.160 0.169) 3.170 6.027 ( -0.343 -1.006 -1.059) 1.501 7.736 ( -0.046 -0.439 -0.197) 0.483 8.078 ( 0.317 -0.271 0.454) 0.617 8.180 ( -0.071 -1.992 -0.290) 2.015======================= Grid point 382 (176/231) =======================q-point: (-0.08 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( 0.661 16.515 4.149) 17.041 1.167 ( -3.339 12.438 -1.032) 12.920 1.175 ( -0.712 9.846 5.614) 11.356 1.310 ( -4.170 6.501 -6.596) 10.157 1.651 ( 1.355 6.369 5.108) 8.276 1.716 ( -2.301 2.960 -2.723) 4.634 1.827 ( 2.766 5.055 4.885) 7.554 1.879 ( -0.726 3.684 -1.164) 3.931 1.919 ( -2.186 6.196 -1.406) 6.719 2.203 ( 0.331 7.181 -0.126) 7.190 2.260 ( 0.831 10.644 0.348) 10.682 2.406 ( 0.452 9.660 -0.394) 9.679 2.462 ( 1.427 4.282 -0.571) 4.549 2.487 ( 0.586 6.017 -1.058) 6.137 2.613 ( 0.178 4.884 1.150) 5.021 3.091 ( 0.700 1.656 -1.044) 2.079 3.146 ( 0.250 3.472 -1.330) 3.726 3.267 ( 0.443 -2.537 0.148) 2.580 4.002 ( -0.177 -4.051 0.274) 4.064 4.386 ( -0.251 -1.654 0.167) 1.681 4.512 ( -0.012 -3.953 0.110) 3.954 4.985 ( -0.106 2.027 -0.669) 2.137 5.049 ( 0.021 1.206 -0.187) 1.220 5.131 ( 0.129 2.836 -0.105) 2.841 5.272 ( 0.130 1.415 0.777) 1.620 5.295 ( 0.432 -2.460 0.457) 2.539 5.359 ( -0.036 0.724 0.516) 0.889 5.646 ( -0.747 1.959 0.321) 2.121 5.689 ( 1.524 -1.359 -2.418) 3.165 5.831 ( -0.281 -7.001 -1.030) 7.082 5.865 ( 0.112 -7.095 0.102) 7.096 6.051 ( -0.190 -2.248 -0.536) 2.319 6.093 ( -0.132 -5.586 0.053) 5.588 7.746 ( -0.028 -0.647 -0.194) 0.676 8.093 ( 0.364 -1.052 0.395) 1.181 8.220 ( -0.029 -2.317 -0.384) 2.349======================= Grid point 386 (177/231) =======================q-point: ( 0.23 0.23 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.443 ( 10.427 0.000 4.177) 11.233 0.676 ( 4.506 0.000 -9.162) 10.210 0.857 ( 10.415 0.000 7.982) 13.122 1.039 ( 9.045 0.000 7.501) 11.750 1.056 ( -8.479 -0.000 -12.715) 15.283 1.320 ( 7.375 0.000 7.301) 10.378 1.573 ( 0.327 0.000 -1.271) 1.312 1.587 ( 0.622 0.000 0.206) 0.655 1.671 ( -2.260 -0.000 -2.551) 3.408 1.794 ( -0.428 -0.000 0.272) 0.507 1.848 ( 0.773 0.000 6.557) 6.602 1.918 ( -0.842 -0.000 -0.301) 0.894 1.975 ( -0.533 -0.000 -1.114) 1.235 2.501 ( -3.151 -0.000 -2.566) 4.063 2.569 ( 1.705 0.000 4.115) 4.454 3.096 ( -0.809 -0.000 -0.000) 0.809 3.153 ( -1.298 -0.000 -0.727) 1.488 3.416 ( -2.040 -0.000 -1.753) 2.690 4.268 ( -2.588 -0.000 -3.322) 4.211 4.529 ( -0.617 -0.000 0.230) 0.658 4.684 ( 1.187 0.000 1.589) 1.984 4.833 ( -1.661 -0.000 -0.197) 1.672 4.896 ( -1.133 -0.000 0.093) 1.137 4.987 ( -1.647 -0.000 0.013) 1.647 5.087 ( 0.555 0.000 -0.495) 0.744 5.217 ( 2.656 0.000 0.259) 2.668 5.233 ( 2.214 0.000 -0.051) 2.215 5.416 ( -2.671 -0.000 -3.665) 4.535 5.927 ( -0.811 -0.000 -5.145) 5.208 6.086 ( -0.677 -0.000 0.955) 1.170 6.122 ( -2.033 -0.000 -0.346) 2.062 6.229 ( 0.192 0.000 0.003) 0.192 6.301 ( -2.772 -0.000 -0.038) 2.773 7.783 ( 0.257 0.000 0.165) 0.306 8.121 ( -1.855 -0.000 -1.507) 2.390 8.318 ( 0.689 0.000 1.482) 1.634======================= Grid point 387 (178/231) =======================q-point: ( 0.31 0.23 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( 4.836 -2.396 1.892) 5.719 0.769 ( 6.594 -6.372 2.879) 9.611 0.885 ( 0.751 0.988 -4.813) 4.971 1.074 ( -1.854 -11.886 -2.400) 12.267 1.178 ( 5.980 -3.516 7.576) 10.272 1.422 ( 1.893 -7.837 0.856) 8.108 1.643 ( -0.369 -3.591 -2.412) 4.341 1.697 ( -1.584 -6.141 -3.784) 7.385 1.721 ( 0.271 -11.707 1.012) 11.754 1.846 ( 0.338 -4.898 2.236) 5.395 1.903 ( 2.401 -3.516 6.054) 7.402 1.998 ( 0.356 -7.211 -0.976) 7.286 2.065 ( 0.909 -12.755 -0.898) 12.818 2.465 ( -3.693 1.292 -3.357) 5.155 2.582 ( 2.857 0.180 5.277) 6.003 3.092 ( -0.476 0.012 -0.200) 0.516 3.133 ( -0.769 1.249 -0.372) 1.513 3.380 ( -2.071 2.496 -2.473) 4.079 4.197 ( -2.002 5.096 -2.354) 5.960 4.495 ( -0.145 2.945 0.588) 3.007 4.655 ( 0.569 3.131 0.527) 3.226 4.873 ( -0.406 -4.002 1.068) 4.162 4.927 ( -0.771 -3.470 -0.122) 3.557 5.019 ( -1.012 -3.398 0.444) 3.573 5.127 ( -0.057 -3.760 -1.068) 3.909 5.265 ( 1.327 -2.053 -0.326) 2.466 5.290 ( 0.121 -4.489 -0.089) 4.492 5.407 ( -1.617 -2.044 -3.527) 4.386 5.878 ( -0.785 3.800 -4.813) 6.183 6.050 ( -0.484 3.546 1.027) 3.723 6.074 ( -1.584 4.134 -0.271) 4.435 6.195 ( 0.220 3.417 0.235) 3.433 6.255 ( -2.441 3.340 -0.134) 4.139 7.778 ( 0.258 0.614 0.254) 0.713 8.106 ( -1.644 0.434 -1.559) 2.307 8.311 ( 0.785 1.240 1.499) 2.098======================= Grid point 388 (179/231) =======================q-point: ( 0.38 0.23 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.618 ( -2.870 -10.151 -2.233) 10.783 0.890 ( 1.322 -4.554 2.895) 5.556 0.962 ( -0.743 -9.232 1.934) 9.462 1.276 ( 4.249 -4.127 11.606) 13.030 1.335 ( -3.355 -14.691 -4.229) 15.651 1.537 ( -5.270 -4.749 -4.884) 8.613 1.722 ( -1.183 -2.560 -2.249) 3.607 1.773 ( -1.297 -5.650 1.540) 5.998 1.914 ( 1.400 -3.436 2.239) 4.333 1.958 ( 0.916 -8.300 2.529) 8.725 2.095 ( 2.216 -15.784 -1.009) 15.970 2.221 ( 0.664 -12.305 -1.108) 12.372 2.339 ( 3.415 -12.085 -1.574) 12.657 2.472 ( -0.501 -6.812 -1.578) 7.010 2.600 ( 2.311 -0.306 4.557) 5.118 3.094 ( 0.006 -0.511 -1.236) 1.337 3.119 ( 0.797 -0.612 0.608) 1.174 3.310 ( -1.598 3.232 -2.826) 4.581 4.084 ( -0.993 5.540 -0.779) 5.682 4.431 ( -0.140 3.713 0.752) 3.791 4.584 ( -0.117 4.511 -0.433) 4.533 4.956 ( 0.932 -4.066 1.735) 4.518 5.006 ( 0.166 -4.535 0.138) 4.540 5.090 ( 0.370 -3.955 0.936) 4.081 5.204 ( -0.742 -4.325 -1.544) 4.652 5.284 ( -2.035 0.889 -2.548) 3.380 5.319 ( -0.533 -1.173 -0.682) 1.458 5.513 ( -0.034 -7.540 -0.738) 7.576 5.786 ( -0.014 4.763 -3.391) 5.847 5.957 ( 0.048 6.205 1.190) 6.319 5.967 ( -1.019 5.798 -0.628) 5.920 6.118 ( 0.202 4.460 0.647) 4.511 6.166 ( -1.578 4.859 -0.373) 5.122 7.765 ( 0.242 0.837 0.262) 0.910 8.091 ( -1.025 0.330 -1.410) 1.774 8.285 ( 0.872 2.040 1.132) 2.491======================= Grid point 389 (180/231) =======================q-point: ( 0.46 0.23 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.817 ( -6.786 -13.101 -4.176) 15.334 1.027 ( -1.434 -9.309 4.124) 10.282 1.136 ( -0.419 -8.603 5.623) 10.286 1.383 ( 0.460 -4.030 8.521) 9.437 1.518 ( -3.348 -6.809 -1.585) 7.752 1.591 ( -6.014 -4.484 -5.568) 9.342 1.752 ( -0.572 -2.057 1.910) 2.865 1.838 ( -3.770 -1.199 -0.583) 3.999 1.947 ( 1.491 -1.589 1.292) 2.533 2.144 ( -0.869 -8.434 -0.090) 8.479 2.313 ( 1.318 -4.831 -1.376) 5.194 2.399 ( 0.043 -8.561 -4.144) 9.511 2.551 ( 2.548 -7.944 1.231) 8.433 2.625 ( 2.394 -4.332 1.737) 5.246 2.695 ( 2.802 -9.608 -0.113) 10.008 3.128 ( 1.092 -3.246 -1.040) 3.579 3.179 ( 1.622 -5.217 0.018) 5.464 3.264 ( -0.290 -0.119 -1.641) 1.670 3.991 ( -0.385 3.645 0.345) 3.682 4.366 ( -0.604 2.747 0.468) 2.851 4.490 ( -0.703 4.837 -0.640) 4.930 5.029 ( 1.773 -2.788 1.508) 3.632 5.072 ( 0.891 -1.641 0.790) 2.028 5.167 ( 0.849 -3.684 0.414) 3.803 5.240 ( -1.995 1.269 -3.037) 3.849 5.264 ( -0.385 -1.475 -0.322) 1.558 5.327 ( -1.244 0.103 -0.718) 1.440 5.631 ( -0.080 -4.590 -0.755) 4.652 5.710 ( 0.472 2.752 -2.346) 3.647 5.835 ( 0.725 6.543 1.312) 6.713 5.867 ( 0.167 4.259 -0.531) 4.295 6.047 ( -0.114 3.084 0.773) 3.181 6.073 ( -0.535 3.940 -0.425) 3.998 7.751 ( 0.183 0.756 0.178) 0.798 8.084 ( -0.340 -0.134 -1.139) 1.196 8.248 ( 0.852 2.321 0.579) 2.539======================= Grid point 390 (181/231) =======================q-point: ( 0.54 0.23 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( -6.471 -12.497 -3.810) 14.579 1.214 ( -0.769 -9.724 5.401) 11.150 1.289 ( -0.624 -7.241 6.471) 9.731 1.437 ( -2.006 -2.044 3.282) 4.356 1.598 ( -1.321 -1.289 2.360) 2.996 1.638 ( -4.727 -5.769 -4.272) 8.596 1.777 ( -1.004 -0.844 0.535) 1.416 1.820 ( -3.185 0.402 -0.125) 3.213 1.993 ( 0.125 -2.508 -0.874) 2.659 2.238 ( -0.890 -1.766 0.079) 1.979 2.351 ( 0.625 0.299 -2.029) 2.144 2.453 ( -1.715 0.918 -3.331) 3.857 2.641 ( 1.964 -1.624 1.918) 3.190 2.736 ( 2.827 -2.688 0.172) 3.904 2.812 ( 2.556 -1.097 -0.236) 2.792 3.208 ( 0.040 -5.045 -2.167) 5.491 3.300 ( 1.490 -6.374 -1.103) 6.638 3.355 ( 1.739 -8.503 1.247) 8.769 3.958 ( -0.131 -0.323 0.840) 0.910 4.337 ( -1.047 -0.280 -0.096) 1.088 4.416 ( -0.845 2.008 -0.184) 2.186 5.072 ( 1.481 0.152 0.509) 1.573 5.080 ( 1.708 0.197 1.314) 2.164 5.203 ( -1.572 0.655 -1.917) 2.564 5.226 ( 0.169 -0.753 -0.396) 0.867 5.264 ( 0.522 1.108 0.330) 1.269 5.312 ( -1.371 0.472 -0.111) 1.454 5.675 ( 0.560 0.053 -2.413) 2.478 5.679 ( -0.920 0.357 -0.981) 1.392 5.738 ( 1.715 4.073 1.193) 4.577 5.816 ( 0.985 1.577 -0.577) 1.947 6.003 ( 0.279 1.618 0.549) 1.731 6.025 ( -0.162 1.196 0.166) 1.218 7.739 ( 0.110 0.552 0.089) 0.569 8.089 ( 0.077 -0.522 -0.814) 0.970 8.208 ( 0.645 2.292 0.101) 2.383======================= Grid point 391 (182/231) =======================q-point: ( 0.62 0.23 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( -2.785 -9.819 -2.158) 10.432 1.354 ( -0.721 -4.350 4.871) 6.570 1.430 ( 0.434 -6.391 3.697) 7.397 1.482 ( -0.964 -3.994 3.124) 5.161 1.608 ( -1.340 -2.294 0.313) 2.675 1.720 ( -2.847 -4.158 -0.316) 5.049 1.785 ( -3.232 1.347 -0.638) 3.559 1.825 ( -0.285 -4.578 0.105) 4.588 2.025 ( -1.378 -1.035 -2.671) 3.179 2.221 ( 0.496 2.405 2.099) 3.231 2.321 ( 0.815 2.737 -1.181) 3.090 2.410 ( -2.088 1.305 -3.249) 4.077 2.617 ( 1.417 4.720 1.622) 5.188 2.731 ( 2.427 3.794 -0.074) 4.504 2.772 ( 1.194 5.335 -0.267) 5.473 3.311 ( -0.295 -5.624 -1.679) 5.877 3.427 ( 1.020 -5.834 -0.969) 6.001 3.519 ( 0.984 -6.992 0.744) 7.100 3.994 ( -0.060 -2.898 0.683) 2.978 4.364 ( -0.842 -2.700 -0.385) 2.854 4.412 ( -0.432 -1.523 0.408) 1.634 5.048 ( 1.082 1.934 0.523) 2.277 5.095 ( 1.634 -0.312 0.737) 1.820 5.173 ( -0.917 1.860 -1.249) 2.421 5.203 ( -1.168 1.639 -0.719) 2.137 5.252 ( 0.502 0.694 0.118) 0.864 5.303 ( -0.176 0.220 0.690) 0.745 5.657 ( -0.078 0.979 -0.232) 1.009 5.664 ( -0.213 0.842 -0.771) 1.162 5.702 ( 1.200 1.237 -1.102) 2.045 5.802 ( 0.654 0.411 -1.059) 1.311 5.987 ( 0.955 0.749 0.569) 1.340 6.012 ( -0.368 0.436 0.267) 0.630 7.732 ( 0.059 0.327 0.027) 0.333 8.100 ( 0.149 -0.639 -0.487) 0.817 8.169 ( 0.299 2.145 -0.134) 2.170======================= Grid point 392 (183/231) =======================q-point: (-0.31 -0.77 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( 0.558 -5.795 -0.431) 5.838 1.405 ( 0.302 -1.358 3.984) 4.220 1.510 ( 1.177 -3.111 -1.417) 3.615 1.560 ( -2.219 -2.425 1.026) 3.444 1.698 ( -0.812 -4.154 -0.024) 4.233 1.749 ( -0.881 -1.630 3.087) 3.601 1.783 ( -2.371 -4.391 -0.019) 4.990 1.926 ( 0.168 -3.950 0.830) 4.040 2.023 ( -0.985 -1.409 0.411) 1.768 2.193 ( 1.150 0.892 1.184) 1.876 2.261 ( 0.812 3.606 -0.929) 3.811 2.405 ( -1.663 -2.294 -2.191) 3.582 2.518 ( 0.398 5.331 1.170) 5.472 2.647 ( 1.898 5.468 -0.581) 5.817 2.664 ( -0.244 5.089 -0.890) 5.172 3.388 ( -0.023 -2.365 -0.456) 2.408 3.502 ( 0.424 -1.526 -0.938) 1.841 3.605 ( 0.042 -1.585 -0.153) 1.593 4.043 ( 0.000 -1.670 0.363) 1.709 4.413 ( -0.258 -2.441 -0.286) 2.471 4.447 ( -0.038 -1.633 0.594) 1.738 5.017 ( 0.612 1.711 0.170) 1.825 5.113 ( 0.035 1.105 -0.177) 1.120 5.124 ( 0.120 0.184 -0.403) 0.459 5.181 ( -0.449 0.330 -0.362) 0.664 5.241 ( -0.023 0.525 0.064) 0.529 5.301 ( 0.074 0.028 0.522) 0.528 5.639 ( -0.462 0.830 0.616) 1.132 5.655 ( 0.333 0.103 -0.392) 0.525 5.682 ( 0.488 1.161 -1.919) 2.295 5.798 ( 0.320 0.241 -0.968) 1.047 5.977 ( 0.946 0.856 0.537) 1.384 6.002 ( -0.682 0.349 -0.293) 0.820 7.728 ( 0.028 0.121 -0.026) 0.127 8.112 ( 0.092 -0.664 -0.224) 0.707 8.131 ( 0.012 1.863 -0.126) 1.868======================= Grid point 393 (184/231) =======================q-point: (-0.23 0.23 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 0.613 -0.687 2.236) 2.418 1.435 ( 1.360 -2.321 0.931) 2.847 1.512 ( -4.176 3.248 -3.778) 6.501 1.583 ( 1.081 -2.141 0.727) 2.506 1.735 ( -0.471 -1.807 3.002) 3.536 1.775 ( -1.892 0.486 -0.131) 1.958 1.892 ( 2.271 -3.879 3.402) 5.637 1.933 ( -1.270 0.297 -0.903) 1.587 2.105 ( 1.107 -1.399 6.316) 6.563 2.196 ( 0.917 -2.388 -2.415) 3.518 2.222 ( -0.960 -1.456 -1.618) 2.379 2.458 ( 0.738 -0.854 2.010) 2.305 2.472 ( -0.942 -3.083 -0.887) 3.343 2.577 ( 0.094 1.489 -2.039) 2.526 2.600 ( 0.028 1.157 -1.535) 1.922 3.390 ( 0.572 2.292 0.668) 2.455 3.478 ( 0.267 4.068 -1.070) 4.215 3.576 ( -0.252 4.418 -0.924) 4.521 4.046 ( -0.039 1.352 0.126) 1.358 4.442 ( 0.081 -0.498 0.066) 0.508 4.458 ( -0.158 0.672 0.423) 0.810 4.997 ( 0.122 0.306 -0.414) 0.529 5.062 ( -0.402 2.236 -1.053) 2.504 5.161 ( 0.690 -1.485 1.689) 2.353 5.191 ( -0.395 -2.064 -1.231) 2.436 5.232 ( 0.056 0.503 0.285) 0.581 5.308 ( -0.098 -0.783 0.206) 0.815 5.625 ( -0.479 0.454 0.714) 0.972 5.656 ( 0.369 0.309 -1.698) 1.765 5.667 ( 0.587 -0.123 -0.350) 0.694 5.789 ( 0.274 0.946 -0.593) 1.149 5.967 ( 0.433 0.458 0.262) 0.682 5.997 ( -0.573 -0.389 -0.778) 1.041 7.727 ( 0.004 -0.059 -0.077) 0.097 8.100 ( 0.081 1.360 0.013) 1.363 8.127 ( 0.039 -0.908 -0.107) 0.915======================= Grid point 394 (185/231) =======================q-point: (-0.15 0.23 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( -1.755 5.099 2.782) 6.068 1.431 ( -0.388 1.387 -0.083) 1.442 1.453 ( -0.923 1.494 -0.475) 1.820 1.553 ( -2.304 6.154 -0.294) 6.578 1.738 ( 1.544 0.824 3.098) 3.558 1.786 ( -3.440 -1.668 -0.635) 3.876 1.884 ( -0.751 1.005 0.614) 1.397 1.933 ( -0.185 2.337 1.965) 3.059 2.064 ( -0.026 2.727 0.135) 2.730 2.269 ( -0.413 -2.633 -0.214) 2.674 2.319 ( 0.273 -6.618 0.857) 6.679 2.493 ( 0.678 -2.222 1.182) 2.607 2.531 ( 1.248 -2.004 0.308) 2.381 2.576 ( 0.555 -0.596 -2.589) 2.714 2.632 ( 0.451 -3.680 -1.013) 3.843 3.318 ( 1.560 5.658 1.599) 6.083 3.359 ( 0.274 7.938 -1.931) 8.174 3.448 ( 0.034 8.425 -1.277) 8.522 4.001 ( -0.201 2.890 0.008) 2.897 4.422 ( -0.127 2.532 0.604) 2.606 4.442 ( -0.500 0.173 -0.039) 0.530 5.010 ( 0.128 -1.599 -0.527) 1.689 5.030 ( 0.087 1.068 -0.884) 1.389 5.187 ( 0.249 -1.018 0.976) 1.432 5.223 ( 0.227 0.492 0.738) 0.916 5.240 ( -0.188 -2.830 -0.787) 2.944 5.328 ( -0.247 -1.364 0.121) 1.391 5.625 ( 0.211 -0.313 1.063) 1.128 5.655 ( 0.532 -0.926 -2.020) 2.285 5.691 ( 0.296 -2.173 -0.249) 2.207 5.764 ( 0.422 1.647 -0.617) 1.809 5.971 ( 0.137 -0.876 0.056) 0.889 6.008 ( -0.279 -0.869 -0.773) 1.196 7.730 ( -0.005 -0.231 -0.111) 0.256 8.083 ( 0.308 0.569 0.124) 0.659 8.149 ( 0.182 -1.383 -0.135) 1.402======================= Grid point 395 (186/231) =======================q-point: (-0.08 0.23 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.292 ( -0.005 9.713 4.773) 10.823 1.332 ( -3.064 7.306 1.087) 7.997 1.370 ( -3.848 10.864 0.218) 11.527 1.387 ( -3.644 4.043 -2.250) 5.890 1.712 ( 0.900 1.859 2.986) 3.631 1.767 ( -3.236 2.405 -0.593) 4.076 1.875 ( 0.250 2.293 1.713) 2.873 1.912 ( -3.957 -2.326 -0.509) 4.618 1.998 ( -0.150 4.526 -0.592) 4.567 2.282 ( 0.335 1.684 0.294) 1.742 2.380 ( -1.120 0.973 -0.157) 1.492 2.514 ( 0.968 1.924 0.584) 2.232 2.545 ( 0.078 0.964 -2.103) 2.315 2.567 ( 4.074 3.051 0.125) 5.091 2.680 ( 2.043 0.307 0.481) 2.121 3.191 ( 1.644 8.003 -0.360) 8.178 3.236 ( 1.239 4.799 -1.089) 5.075 3.293 ( 0.240 6.289 -0.769) 6.340 3.964 ( -0.324 0.229 0.123) 0.416 4.381 ( -0.592 1.233 0.287) 1.397 4.453 ( -0.518 -1.933 0.106) 2.004 5.013 ( 0.521 0.983 -0.506) 1.222 5.045 ( 0.225 -1.491 -0.356) 1.550 5.180 ( 0.594 1.925 0.138) 2.020 5.241 ( 0.082 -2.197 0.924) 2.385 5.281 ( -0.232 -1.358 -0.429) 1.442 5.351 ( -0.441 -1.120 0.280) 1.236 5.633 ( 1.145 -0.478 0.407) 1.306 5.706 ( -0.206 -3.337 -1.348) 3.605 5.731 ( -0.533 -0.019 -1.518) 1.609 5.758 ( 1.387 -3.933 0.292) 4.180 6.009 ( -0.032 -3.231 -0.005) 3.231 6.022 ( -0.185 -0.916 -0.533) 1.075 7.736 ( 0.019 -0.428 -0.110) 0.442 8.082 ( 0.423 -0.298 0.072) 0.523 8.181 ( 0.355 -1.923 -0.164) 1.963======================= Grid point 400 (187/231) =======================q-point: ( 0.31 0.31 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.548 ( 9.797 0.000 6.690) 11.864 0.693 ( 3.861 0.000 -8.760) 9.573 0.936 ( -6.878 -0.000 -6.329) 9.347 0.980 ( 8.036 0.000 2.434) 8.396 1.139 ( 9.031 0.000 7.838) 11.958 1.402 ( 7.589 0.000 4.895) 9.031 1.563 ( -1.377 -0.000 -0.581) 1.495 1.598 ( 1.437 0.000 -1.525) 2.095 1.638 ( -3.185 -0.000 -5.105) 6.017 1.793 ( -0.043 -0.000 0.747) 0.748 1.859 ( -1.288 -0.000 4.035) 4.236 1.908 ( -1.102 -0.000 -0.487) 1.205 1.978 ( 1.010 0.000 2.521) 2.716 2.457 ( -4.550 -0.000 -3.826) 5.945 2.605 ( 3.294 0.000 6.194) 7.015 3.091 ( -0.395 -0.000 -0.058) 0.399 3.141 ( -0.935 -0.000 -0.062) 0.937 3.390 ( -2.468 -0.000 -3.107) 3.968 4.235 ( -2.745 -0.000 -3.593) 4.522 4.526 ( -0.290 -0.000 0.550) 0.622 4.700 ( 1.374 0.000 2.198) 2.592 4.818 ( -1.441 -0.000 -0.237) 1.460 4.887 ( -0.961 -0.000 0.110) 0.967 4.973 ( -1.477 -0.000 -0.071) 1.478 5.091 ( 0.627 0.000 -0.444) 0.768 5.240 ( 2.204 0.000 0.240) 2.218 5.252 ( 1.915 0.000 -0.068) 1.916 5.379 ( -3.242 -0.000 -4.809) 5.800 5.904 ( -1.488 -0.000 -5.531) 5.728 6.082 ( -0.626 -0.000 1.299) 1.442 6.108 ( -1.044 -0.000 0.030) 1.044 6.230 ( 0.120 0.000 -0.210) 0.241 6.276 ( -2.668 -0.000 -0.067) 2.669 7.786 ( 0.237 0.000 0.295) 0.378 8.101 ( -1.767 -0.000 -1.668) 2.430 8.328 ( 0.749 0.000 1.710) 1.867======================= Grid point 401 (188/231) =======================q-point: ( 0.38 0.31 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.540 ( 4.523 1.804 2.441) 5.446 0.799 ( -1.215 -6.491 -3.581) 7.512 0.909 ( 5.619 0.925 -0.284) 5.702 1.048 ( -0.881 -10.192 -1.084) 10.288 1.263 ( 7.391 -2.992 10.401) 13.105 1.431 ( -0.308 -2.585 -0.569) 2.664 1.631 ( -1.037 -3.414 -4.069) 5.412 1.674 ( -1.402 -5.888 -3.326) 6.907 1.727 ( 0.633 -13.470 0.706) 13.503 1.850 ( -0.182 -5.168 1.216) 5.312 1.934 ( 1.220 -6.052 5.363) 8.178 2.002 ( 0.618 -5.617 0.508) 5.673 2.075 ( 1.672 -14.674 -0.674) 14.785 2.422 ( -4.056 0.644 -3.871) 5.643 2.623 ( 3.286 0.447 6.150) 6.987 3.088 ( -0.302 0.049 -0.792) 0.849 3.129 ( 0.081 0.750 0.789) 1.091 3.352 ( -2.413 2.294 -3.711) 4.986 4.173 ( -1.935 4.343 -2.450) 5.348 4.496 ( -0.003 2.823 0.838) 2.945 4.661 ( 0.510 3.704 0.522) 3.776 4.874 ( -0.006 -4.840 1.593) 5.095 4.920 ( -0.550 -3.728 -0.176) 3.773 5.011 ( -0.983 -4.054 0.340) 4.185 5.125 ( 0.063 -3.156 -0.947) 3.296 5.272 ( 0.316 -1.028 -0.668) 1.266 5.287 ( -0.202 -2.278 -0.956) 2.479 5.387 ( -0.974 -4.224 -3.036) 5.293 5.858 ( -1.258 3.271 -4.753) 5.905 6.049 ( -0.270 3.388 1.157) 3.590 6.063 ( -0.800 4.230 0.037) 4.305 6.198 ( 0.263 3.298 0.061) 3.309 6.234 ( -2.190 3.077 -0.239) 3.785 7.781 ( 0.233 0.609 0.324) 0.728 8.089 ( -1.413 0.233 -1.565) 2.122 8.322 ( 0.752 1.244 1.524) 2.106======================= Grid point 402 (189/231) =======================q-point: ( 0.46 0.31 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( -2.418 -6.752 -1.603) 7.349 0.877 ( -2.671 -6.451 -0.480) 6.999 1.015 ( 7.315 -5.580 8.928) 12.820 1.287 ( -4.284 -14.228 -6.511) 16.223 1.330 ( 1.788 -2.368 7.811) 8.355 1.490 ( -3.000 -3.998 -1.237) 5.149 1.702 ( -1.955 -3.317 -1.848) 4.270 1.758 ( -1.929 -4.889 -1.103) 5.371 1.931 ( 1.443 -5.233 1.420) 5.611 1.976 ( 1.095 -5.331 4.879) 7.309 2.107 ( 1.118 -15.937 -1.486) 16.046 2.221 ( 0.171 -11.805 -1.469) 11.897 2.367 ( 3.416 -10.749 -1.841) 11.428 2.460 ( -1.248 -11.145 -1.293) 11.289 2.631 ( 2.122 0.614 4.568) 5.074 3.092 ( 0.054 -0.999 -1.277) 1.622 3.131 ( 1.432 -0.915 1.168) 2.062 3.287 ( -1.895 2.676 -3.604) 4.872 4.074 ( -0.875 4.985 -0.779) 5.121 4.432 ( -0.002 3.886 0.923) 3.995 4.581 ( -0.134 4.852 -0.513) 4.881 4.969 ( 0.975 -4.431 1.946) 4.936 5.009 ( 0.357 -5.026 0.371) 5.052 5.095 ( 0.303 -4.528 1.093) 4.668 5.192 ( -1.024 -3.921 -2.112) 4.570 5.259 ( -2.108 1.052 -2.665) 3.557 5.314 ( -0.246 -1.048 -0.675) 1.271 5.513 ( 0.290 -7.491 -0.721) 7.531 5.776 ( -0.464 4.056 -3.113) 5.134 5.958 ( -0.642 6.054 0.114) 6.089 5.963 ( 0.394 5.574 0.639) 5.625 6.121 ( 0.104 4.503 0.641) 4.550 6.152 ( -1.146 4.470 -0.563) 4.649 7.768 ( 0.212 0.859 0.268) 0.925 8.079 ( -0.830 0.033 -1.311) 1.552 8.294 ( 0.720 2.071 1.030) 2.423======================= Grid point 403 (190/231) =======================q-point: ( 0.54 0.31 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( -5.410 -12.194 -3.184) 13.715 1.035 ( 0.790 -9.796 5.092) 11.069 1.165 ( 3.219 -6.660 7.438) 10.490 1.381 ( -3.081 -2.899 0.915) 4.328 1.479 ( -4.520 -8.740 -5.598) 11.320 1.557 ( -0.039 -3.339 3.428) 4.785 1.748 ( -1.080 -2.405 1.092) 2.854 1.804 ( -2.889 -1.045 -1.506) 3.421 1.962 ( 1.026 -0.884 1.630) 2.119 2.140 ( -0.119 -7.815 0.698) 7.847 2.318 ( 0.693 -4.101 -1.882) 4.565 2.388 ( -0.429 -8.421 -3.677) 9.198 2.573 ( 1.608 -7.977 1.115) 8.214 2.645 ( 1.279 -4.198 1.468) 4.628 2.714 ( 1.527 -10.257 -0.310) 10.374 3.133 ( 0.597 -3.147 -0.952) 3.342 3.194 ( 1.530 -5.081 0.105) 5.307 3.257 ( -0.571 -1.573 -1.714) 2.395 3.989 ( -0.244 3.375 0.345) 3.402 4.363 ( -0.304 3.106 0.523) 3.164 4.483 ( -0.513 5.008 -0.631) 5.074 5.048 ( 1.524 -3.018 1.422) 3.667 5.083 ( 1.039 -1.871 1.329) 2.519 5.171 ( -0.201 -2.838 -0.314) 2.863 5.217 ( -1.476 -0.114 -2.575) 2.970 5.261 ( -0.280 -1.735 -0.396) 1.801 5.315 ( -0.961 0.538 -0.651) 1.279 5.629 ( 0.168 -4.400 -1.043) 4.525 5.707 ( -0.021 2.650 -1.897) 3.259 5.845 ( 0.710 5.977 1.240) 6.146 5.868 ( 0.282 3.951 -0.644) 4.013 6.047 ( -0.109 3.154 0.845) 3.267 6.069 ( -0.252 3.589 -0.540) 3.638 7.753 ( 0.151 0.795 0.152) 0.824 8.078 ( -0.338 -0.395 -0.981) 1.110 8.256 ( 0.570 2.393 0.462) 2.503======================= Grid point 404 (191/231) =======================q-point: (-0.38 -0.69 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( -3.502 -13.189 -2.527) 13.878 1.233 ( 2.142 -9.051 5.505) 10.808 1.308 ( 1.414 -6.707 6.620) 9.530 1.420 ( -2.206 -2.914 0.444) 3.682 1.567 ( -3.885 -3.115 -6.462) 8.158 1.629 ( 1.292 -4.124 6.649) 7.930 1.765 ( -1.396 -0.698 -1.005) 1.856 1.796 ( -1.835 0.353 -0.337) 1.899 1.993 ( 0.138 -1.703 -0.434) 1.763 2.235 ( -0.043 -1.992 0.771) 2.136 2.347 ( -0.140 0.243 -3.040) 3.053 2.435 ( -0.942 1.275 -1.995) 2.548 2.657 ( 0.820 -1.671 1.433) 2.349 2.754 ( 1.183 -2.890 0.020) 3.122 2.827 ( 0.954 -1.003 -0.301) 1.417 3.203 ( -0.292 -4.727 -1.531) 4.977 3.307 ( 0.624 -6.450 -1.113) 6.575 3.370 ( 0.930 -8.719 0.840) 8.809 3.959 ( 0.013 -0.363 0.761) 0.843 4.330 ( -0.468 -0.051 -0.033) 0.472 4.410 ( -0.354 1.896 -0.160) 1.935 5.083 ( 0.810 0.734 0.262) 1.124 5.100 ( 1.827 -0.240 1.576) 2.425 5.183 ( -1.773 -0.129 -1.936) 2.628 5.221 ( -0.580 0.510 -0.498) 0.919 5.273 ( 1.187 0.750 0.524) 1.498 5.300 ( -1.135 -0.217 -0.181) 1.169 5.668 ( -0.998 0.138 -0.666) 1.208 5.674 ( 0.421 0.482 -1.986) 2.086 5.754 ( 1.219 3.956 0.595) 4.182 5.821 ( 0.479 1.496 -0.721) 1.728 6.008 ( 0.571 1.256 0.681) 1.539 6.023 ( -0.304 1.223 -0.075) 1.263 7.741 ( 0.088 0.582 0.056) 0.591 8.087 ( -0.136 -0.672 -0.639) 0.938 8.213 ( 0.292 2.392 0.043) 2.410======================= Grid point 405 (192/231) =======================q-point: (-0.31 -0.69 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( -0.824 -10.975 -1.549) 11.114 1.369 ( 1.469 -3.878 5.008) 6.502 1.440 ( 0.637 -5.027 -0.528) 5.094 1.495 ( 1.813 -4.924 5.907) 7.901 1.597 ( -0.989 -3.636 -1.402) 4.020 1.706 ( -0.447 -2.993 1.134) 3.232 1.754 ( -2.955 1.405 -0.869) 3.385 1.824 ( -0.164 -5.070 0.238) 5.079 2.013 ( -0.374 -0.450 -1.254) 1.383 2.232 ( 0.788 1.824 2.098) 2.889 2.320 ( -0.092 1.979 -2.223) 2.978 2.391 ( -0.879 1.826 -1.989) 2.839 2.628 ( 0.248 4.787 1.202) 4.942 2.744 ( 0.630 3.567 -0.229) 3.630 2.776 ( 0.001 5.728 -0.449) 5.746 3.304 ( -0.459 -5.777 -1.010) 5.883 3.429 ( 0.126 -5.796 -1.049) 5.892 3.526 ( 0.367 -6.669 0.454) 6.695 3.996 ( 0.049 -2.851 0.580) 2.910 4.358 ( -0.224 -2.744 -0.204) 2.761 4.412 ( 0.098 -1.656 0.278) 1.682 5.057 ( 0.633 1.940 0.251) 2.056 5.108 ( 0.882 -0.066 0.385) 0.965 5.163 ( -0.792 1.930 -0.794) 2.232 5.193 ( -0.689 1.158 -0.522) 1.444 5.255 ( -0.045 1.040 0.159) 1.053 5.305 ( 0.302 0.033 0.448) 0.542 5.652 ( -0.848 0.678 0.123) 1.093 5.664 ( 0.354 0.632 -0.934) 1.182 5.707 ( 0.494 1.765 -1.017) 2.096 5.804 ( 0.197 0.504 -1.048) 1.179 5.998 ( 1.095 0.671 0.643) 1.437 6.007 ( -0.664 0.534 -0.124) 0.861 7.732 ( 0.049 0.345 -0.001) 0.349 8.099 ( -0.146 -0.715 -0.343) 0.806 8.170 ( 0.029 2.220 -0.132) 2.224======================= Grid point 406 (193/231) =======================q-point: (-0.23 -0.69 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( -0.322 -6.082 -0.287) 6.097 1.429 ( 2.159 -1.720 4.850) 5.580 1.503 ( -1.332 -1.775 -4.388) 4.917 1.556 ( 0.789 -1.215 1.611) 2.167 1.689 ( -1.132 -2.009 0.951) 2.494 1.761 ( 1.721 -3.407 2.477) 4.550 1.767 ( -1.199 -6.280 0.874) 6.453 1.929 ( 0.033 -3.748 0.612) 3.797 2.020 ( -0.359 -2.454 1.141) 2.730 2.204 ( 0.763 1.177 0.797) 1.613 2.264 ( 0.315 3.917 -1.457) 4.191 2.389 ( -0.986 -2.653 -1.141) 3.051 2.521 ( -0.245 5.499 0.892) 5.577 2.652 ( -1.026 6.015 -1.030) 6.189 2.662 ( 0.913 4.683 -0.699) 4.822 3.387 ( -0.148 -2.720 -0.275) 2.738 3.502 ( -0.003 -1.574 -1.008) 1.869 3.605 ( 0.163 -1.350 -0.139) 1.367 4.043 ( 0.006 -1.628 0.293) 1.654 4.411 ( -0.119 -2.494 -0.117) 2.500 4.450 ( 0.236 -1.608 0.423) 1.679 5.021 ( 0.246 1.907 -0.112) 1.926 5.109 ( -0.286 2.748 -0.483) 2.805 5.128 ( 0.270 -1.684 -0.030) 1.706 5.177 ( -0.116 0.414 -0.160) 0.459 5.241 ( -0.195 0.445 0.135) 0.504 5.303 ( 0.168 0.185 0.339) 0.421 5.636 ( -0.666 0.747 0.784) 1.271 5.658 ( 0.450 0.136 -0.691) 0.836 5.681 ( 0.244 1.044 -1.619) 1.941 5.798 ( 0.060 0.179 -0.933) 0.952 5.986 ( 0.665 1.056 0.244) 1.272 5.995 ( -0.512 0.377 -0.190) 0.664 7.728 ( 0.023 0.136 -0.039) 0.144 8.112 ( -0.154 -0.736 -0.160) 0.769 8.131 ( 0.027 1.849 -0.118) 1.853======================= Grid point 407 (194/231) =======================q-point: (-0.15 0.31 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( -2.843 -1.512 0.937) 3.354 1.468 ( -3.534 2.312 -3.580) 5.536 1.473 ( 3.280 -0.437 3.603) 4.891 1.588 ( -0.095 -0.971 0.188) 0.994 1.731 ( -2.057 -2.671 2.597) 4.255 1.768 ( 0.072 1.548 1.765) 2.349 1.908 ( -0.920 -4.642 0.165) 4.735 1.923 ( 0.291 2.013 0.667) 2.140 2.123 ( 0.052 -1.941 5.245) 5.593 2.192 ( -0.547 -1.096 -3.946) 4.132 2.214 ( 0.094 -2.091 -0.385) 2.128 2.463 ( -0.707 -3.944 0.111) 4.008 2.467 ( 0.572 -1.052 0.970) 1.541 2.573 ( 0.256 1.366 -1.530) 2.067 2.605 ( 1.534 1.157 -1.380) 2.366 3.396 ( 0.440 1.806 0.050) 1.859 3.479 ( 0.390 3.987 -1.119) 4.160 3.576 ( 0.615 4.516 -0.457) 4.580 4.046 ( -0.135 1.419 0.136) 1.432 4.439 ( -0.536 -0.563 -0.027) 0.778 4.458 ( -0.121 0.921 0.467) 1.040 4.998 ( 0.202 0.375 -0.420) 0.598 5.060 ( 0.271 2.131 -0.458) 2.197 5.170 ( 0.599 -1.312 1.547) 2.115 5.183 ( -0.636 -2.211 -1.476) 2.734 5.234 ( 0.121 0.363 0.183) 0.424 5.307 ( -0.229 -0.656 0.245) 0.737 5.623 ( -0.293 0.306 0.839) 0.940 5.656 ( 0.508 0.188 -1.462) 1.559 5.672 ( 0.727 -0.151 -0.825) 1.110 5.789 ( 0.259 0.811 -0.720) 1.115 5.970 ( 0.100 0.599 -0.175) 0.632 5.993 ( -0.026 -0.394 -0.089) 0.405 7.727 ( 0.009 -0.048 -0.062) 0.079 8.101 ( 0.195 1.241 -0.063) 1.258 8.128 ( 0.134 -0.966 -0.116) 0.982======================= Grid point 408 (195/231) =======================q-point: (-0.08 0.31 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( -3.656 2.281 0.466) 4.335 1.419 ( -2.456 1.722 1.581) 3.391 1.446 ( -1.218 4.976 0.210) 5.127 1.534 ( -2.411 6.882 2.088) 7.585 1.732 ( -3.367 -0.528 -2.035) 3.970 1.772 ( -0.237 0.235 4.619) 4.631 1.872 ( -2.167 0.827 0.362) 2.347 1.924 ( -2.594 2.225 0.578) 3.466 2.065 ( 0.363 3.703 0.037) 3.721 2.269 ( 0.218 -2.786 0.367) 2.819 2.308 ( -2.461 -6.512 -1.274) 7.077 2.507 ( 1.842 -2.591 1.020) 3.338 2.529 ( -1.111 -2.000 -1.737) 2.873 2.591 ( 3.527 -1.555 -0.759) 3.928 2.650 ( 3.468 -3.826 0.163) 5.166 3.332 ( 1.029 4.807 -0.541) 4.946 3.361 ( 1.234 8.249 -1.119) 8.415 3.452 ( 1.268 8.543 -0.301) 8.642 3.999 ( -0.298 2.942 0.182) 2.963 4.418 ( -1.075 2.499 0.028) 2.721 4.437 ( -0.660 0.309 0.369) 0.817 5.012 ( 0.456 -1.639 -0.328) 1.732 5.033 ( 0.872 1.041 -0.328) 1.398 5.191 ( 0.357 -0.977 0.571) 1.186 5.226 ( 0.239 0.276 0.332) 0.493 5.236 ( -0.327 -2.768 -0.524) 2.836 5.325 ( -0.594 -1.321 0.154) 1.456 5.631 ( 0.581 -1.022 1.122) 1.625 5.657 ( 0.986 -0.405 -2.117) 2.370 5.691 ( -0.001 -1.853 -0.608) 1.951 5.769 ( 0.985 1.361 -0.629) 1.794 5.972 ( 0.133 -0.847 -0.099) 0.863 6.005 ( -0.022 -0.811 -0.126) 0.821 7.730 ( 0.025 -0.231 -0.060) 0.240 8.086 ( 0.512 0.506 -0.101) 0.727 8.151 ( 0.426 -1.441 -0.142) 1.509======================= Grid point 414 (196/231) =======================q-point: ( 0.38 0.38 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.640 ( 6.636 0.000 7.313) 9.875 0.703 ( 2.288 0.000 -6.890) 7.260 0.836 ( -7.620 -0.000 -11.936) 14.161 1.085 ( 9.141 0.000 10.564) 13.970 1.231 ( 7.466 0.000 7.003) 10.236 1.471 ( 5.190 0.000 2.385) 5.712 1.550 ( -1.371 -0.000 -0.304) 1.404 1.593 ( -3.483 -0.000 -6.307) 7.205 1.601 ( 0.143 0.000 -2.641) 2.644 1.798 ( 0.672 0.000 1.166) 1.346 1.848 ( -2.260 -0.000 1.313) 2.614 1.896 ( -1.206 -0.000 -0.659) 1.375 2.000 ( 1.428 0.000 4.793) 5.001 2.408 ( -4.113 -0.000 -4.118) 5.820 2.651 ( 3.507 0.000 6.737) 7.595 3.087 ( -0.246 -0.000 -0.946) 0.977 3.139 ( 0.422 0.000 1.424) 1.485 3.359 ( -2.685 -0.000 -4.389) 5.145 4.204 ( -2.334 -0.000 -3.263) 4.012 4.526 ( -0.098 -0.000 0.798) 0.804 4.718 ( 1.373 0.000 2.448) 2.807 4.807 ( -0.976 -0.000 -0.237) 1.004 4.880 ( -0.608 -0.000 0.102) 0.616 4.961 ( -1.049 -0.000 -0.083) 1.052 5.095 ( 0.468 0.000 -0.395) 0.612 5.257 ( 1.410 0.000 0.247) 1.431 5.266 ( 1.311 0.000 -0.108) 1.316 5.339 ( -3.160 -0.000 -5.063) 5.969 5.877 ( -1.694 -0.000 -4.865) 5.152 6.081 ( -0.303 -0.000 1.293) 1.328 6.103 ( -0.365 -0.000 0.105) 0.380 6.231 ( 0.408 0.000 -0.373) 0.553 6.254 ( -2.248 -0.000 -0.124) 2.251 7.788 ( 0.201 0.000 0.334) 0.390 8.083 ( -1.334 -0.000 -1.526) 2.027 8.339 ( 0.682 0.000 1.575) 1.716======================= Grid point 415 (197/231) =======================q-point: ( 0.46 0.38 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( 3.908 4.846 3.792) 7.289 0.759 ( -4.368 -3.265 -3.947) 6.732 0.924 ( -0.862 -12.750 -7.548) 14.842 1.087 ( 6.923 0.449 9.432) 11.708 1.351 ( 6.919 -2.407 9.698) 12.154 1.411 ( -3.517 1.130 -2.424) 4.418 1.605 ( -2.393 -3.793 -4.999) 6.716 1.657 ( -1.009 -5.227 -3.040) 6.131 1.735 ( 0.828 -15.635 0.741) 15.674 1.850 ( -0.280 -4.647 0.996) 4.760 1.947 ( -0.251 -9.851 2.368) 10.135 2.013 ( 0.863 -2.382 2.712) 3.711 2.090 ( 1.646 -16.509 -0.357) 16.594 2.379 ( -3.045 0.301 -3.979) 5.019 2.665 ( 2.846 0.895 5.928) 6.637 3.083 ( -0.247 0.097 -1.449) 1.474 3.140 ( 1.511 0.444 1.962) 2.516 3.320 ( -2.529 2.079 -4.671) 5.704 4.152 ( -1.527 3.716 -2.066) 4.517 4.499 ( 0.049 2.733 0.978) 2.903 4.666 ( 0.371 4.232 0.358) 4.263 4.880 ( 0.404 -5.508 1.938) 5.853 4.916 ( -0.214 -3.942 -0.246) 3.955 5.004 ( -0.674 -4.481 0.286) 4.540 5.123 ( 0.056 -2.648 -0.787) 2.763 5.261 ( -1.635 0.478 -2.258) 2.829 5.288 ( 0.452 -1.466 -0.508) 1.616 5.377 ( -0.175 -6.033 -1.849) 6.312 5.836 ( -1.399 2.843 -3.856) 4.991 6.050 ( 0.131 3.301 0.917) 3.428 6.058 ( -0.294 4.293 0.162) 4.306 6.200 ( 0.222 3.319 0.178) 3.331 6.216 ( -1.365 2.791 -0.547) 3.155 7.783 ( 0.191 0.605 0.303) 0.703 8.075 ( -0.942 0.094 -1.321) 1.625 8.331 ( 0.616 1.269 1.267) 1.896======================= Grid point 416 (198/231) =======================q-point: (-0.46 -0.62 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -2.341 -3.788 -0.544) 4.486 0.862 ( -0.828 -8.904 2.560) 9.301 1.108 ( 8.384 -3.719 8.072) 12.218 1.233 ( -3.949 -13.623 -6.008) 15.404 1.330 ( -3.729 -0.101 -0.854) 3.826 1.490 ( 1.854 -4.430 4.717) 6.732 1.680 ( -2.179 -4.413 -0.838) 4.993 1.737 ( -1.583 -4.279 -2.534) 5.219 1.946 ( 1.373 -5.304 0.732) 5.527 1.996 ( 0.630 -4.258 5.743) 7.177 2.108 ( -0.061 -16.207 -1.737) 16.300 2.218 ( -0.225 -11.426 -1.482) 11.524 2.388 ( 2.070 -7.671 -2.434) 8.310 2.446 ( -1.190 -16.070 -0.530) 16.123 2.656 ( 1.342 1.512 3.866) 4.363 3.089 ( 0.084 -1.380 -1.201) 1.831 3.150 ( 2.046 -0.829 1.445) 2.638 3.261 ( -1.975 2.131 -3.959) 4.911 4.065 ( -0.606 4.514 -0.555) 4.588 4.435 ( 0.084 3.999 0.934) 4.107 4.579 ( -0.127 5.114 -0.513) 5.142 4.980 ( 0.716 -4.641 1.524) 4.937 5.014 ( 0.598 -5.426 0.797) 5.517 5.100 ( 0.275 -5.077 1.202) 5.224 5.177 ( -1.183 -2.836 -2.465) 3.939 5.237 ( -1.493 0.310 -2.146) 2.633 5.311 ( -0.179 -0.743 -0.470) 0.897 5.515 ( 0.664 -7.477 -0.933) 7.564 5.764 ( -0.771 3.488 -2.336) 4.268 5.953 ( -0.400 5.915 0.027) 5.929 5.970 ( 0.717 5.540 0.526) 5.611 6.122 ( -0.302 4.507 0.756) 4.580 6.144 ( -0.126 4.236 -0.797) 4.313 7.770 ( 0.163 0.880 0.201) 0.917 8.070 ( -0.517 -0.140 -1.009) 1.142 8.302 ( 0.468 2.132 0.755) 2.310======================= Grid point 417 (199/231) =======================q-point: (-0.38 -0.62 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( -2.299 -11.980 -1.237) 12.261 1.062 ( 2.106 -10.734 5.336) 12.171 1.223 ( 5.628 -4.522 7.160) 10.168 1.345 ( -3.938 -3.315 -2.381) 5.671 1.424 ( -3.618 -8.667 -7.085) 11.764 1.584 ( 2.393 -3.709 6.302) 7.694 1.740 ( -0.902 -2.347 0.822) 2.646 1.783 ( -0.922 -1.397 -1.709) 2.393 1.972 ( 0.375 -0.385 1.611) 1.698 2.143 ( 0.166 -7.395 0.963) 7.459 2.317 ( 0.101 -3.422 -2.339) 4.146 2.376 ( -0.765 -8.691 -2.501) 9.076 2.585 ( 0.498 -8.324 0.623) 8.362 2.654 ( 0.055 -3.588 1.294) 3.815 2.720 ( -0.118 -10.607 -0.372) 10.614 3.134 ( 0.086 -2.910 -0.846) 3.032 3.206 ( 1.126 -4.323 -0.149) 4.470 3.247 ( -0.757 -3.053 -1.441) 3.460 3.988 ( -0.076 3.145 0.336) 3.164 4.363 ( 0.031 3.329 0.482) 3.364 4.478 ( -0.202 5.042 -0.474) 5.068 5.061 ( 0.690 -3.079 0.672) 3.226 5.098 ( 1.333 -2.363 2.168) 3.473 5.160 ( -1.468 -0.605 -1.927) 2.497 5.204 ( -0.574 -2.179 -0.896) 2.425 5.258 ( -0.109 -2.219 -0.394) 2.257 5.307 ( -0.401 0.894 -0.351) 1.040 5.629 ( 0.506 -4.031 -1.233) 4.246 5.702 ( -0.415 2.496 -1.312) 2.851 5.852 ( 0.318 5.158 0.912) 5.248 5.869 ( 0.408 4.331 -0.819) 4.426 6.049 ( -0.051 2.997 0.796) 3.101 6.067 ( 0.107 3.553 -0.573) 3.601 7.754 ( 0.106 0.824 0.078) 0.835 8.074 ( -0.303 -0.513 -0.662) 0.891 8.260 ( 0.199 2.481 0.267) 2.503======================= Grid point 418 (200/231) =======================q-point: (-0.31 -0.62 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.953 ( 0.137 -13.504 -0.761) 13.526 1.272 ( 3.669 -8.951 3.693) 10.355 1.340 ( 2.988 -5.094 3.541) 6.886 1.412 ( 0.152 -4.961 3.050) 5.826 1.521 ( -2.483 -4.380 -7.016) 8.636 1.664 ( 2.331 -2.954 7.426) 8.325 1.748 ( -1.378 0.017 -2.125) 2.533 1.789 ( 0.278 0.437 0.079) 0.524 1.994 ( 0.134 -1.381 -0.214) 1.404 2.239 ( 0.247 -2.295 0.981) 2.508 2.337 ( -0.428 0.409 -2.962) 3.020 2.427 ( -0.210 1.174 -0.975) 1.541 2.662 ( -0.405 -1.610 0.956) 1.916 2.757 ( -0.570 -3.018 -0.199) 3.078 2.827 ( -0.749 -1.059 -0.335) 1.340 3.196 ( -0.570 -4.578 -0.863) 4.693 3.307 ( -0.270 -6.365 -1.046) 6.456 3.375 ( -0.039 -8.837 0.310) 8.842 3.961 ( 0.123 -0.395 0.567) 0.702 4.329 ( 0.204 0.065 0.072) 0.226 4.409 ( 0.222 1.750 -0.082) 1.766 5.087 ( 0.162 0.649 -0.140) 0.684 5.116 ( 0.889 0.421 0.904) 1.336 5.164 ( -1.335 -1.015 -1.056) 1.982 5.216 ( -0.358 0.952 -0.041) 1.018 5.281 ( -0.204 1.560 -0.067) 1.575 5.295 ( 0.506 -1.420 0.194) 1.520 5.658 ( -1.086 0.411 -0.199) 1.178 5.674 ( 0.478 0.319 -1.500) 1.606 5.762 ( 0.433 4.092 -0.132) 4.117 5.821 ( -0.035 1.496 -0.774) 1.685 6.016 ( 0.683 0.984 0.608) 1.343 6.020 ( -0.318 1.349 -0.331) 1.425 7.741 ( 0.060 0.600 -0.005) 0.603 8.084 ( -0.333 -0.730 -0.349) 0.875 8.213 ( -0.110 2.460 -0.035) 2.462======================= Grid point 419 (201/231) =======================q-point: (-0.23 -0.62 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( 1.195 -10.991 -0.407) 11.063 1.402 ( 3.163 -2.945 4.390) 6.160 1.443 ( 1.338 -4.286 -2.783) 5.283 1.536 ( 3.746 -3.410 4.965) 7.093 1.584 ( -0.417 -6.789 -2.424) 7.221 1.709 ( -0.257 0.311 1.374) 1.432 1.739 ( 0.085 -0.828 1.850) 2.029 1.824 ( 0.141 -4.842 0.356) 4.857 2.011 ( 0.319 -0.310 -0.523) 0.686 2.243 ( 0.671 1.631 1.492) 2.310 2.312 ( -0.394 1.432 -2.005) 2.495 2.385 ( 0.192 2.279 -0.898) 2.457 2.627 ( -1.003 4.723 0.657) 4.873 2.739 ( -1.686 3.672 -0.726) 4.105 2.773 ( -0.589 5.456 -0.334) 5.497 3.298 ( -0.642 -5.923 -0.376) 5.970 3.425 ( -0.679 -5.889 -0.941) 6.002 3.527 ( -0.252 -6.687 0.005) 6.692 3.998 ( 0.116 -2.793 0.392) 2.823 4.359 ( 0.425 -2.655 0.044) 2.689 4.415 ( 0.597 -1.692 0.136) 1.799 5.059 ( -0.130 1.931 -0.382) 1.973 5.110 ( -0.381 -0.022 -0.513) 0.639 5.157 ( -0.363 1.879 0.107) 1.916 5.191 ( 0.333 0.958 0.287) 1.054 5.253 ( -0.404 1.105 0.090) 1.180 5.310 ( 0.518 0.086 0.105) 0.536 5.644 ( -0.977 0.449 0.436) 1.160 5.665 ( 0.382 0.536 -0.749) 0.997 5.706 ( -0.201 2.001 -1.112) 2.298 5.801 ( -0.254 0.500 -0.957) 1.110 5.999 ( -0.860 0.634 -0.401) 1.141 6.009 ( 1.028 0.641 0.404) 1.277 7.733 ( 0.033 0.355 -0.044) 0.360 8.096 ( -0.404 -0.776 -0.136) 0.886 8.168 ( -0.243 2.194 -0.128) 2.211======================= Grid point 420 (202/231) =======================q-point: (-0.15 -0.62 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( -0.082 -5.081 -0.274) 5.089 1.457 ( 1.238 -1.926 3.861) 4.488 1.480 ( -0.624 0.286 -4.292) 4.347 1.573 ( 1.888 -0.997 1.436) 2.573 1.688 ( 0.095 -1.718 2.709) 3.209 1.759 ( -0.524 -3.876 1.017) 4.041 1.792 ( 3.218 -5.433 1.911) 6.597 1.930 ( -0.129 -4.107 0.415) 4.130 2.020 ( -0.257 -2.262 1.194) 2.571 2.210 ( 0.267 1.471 -0.232) 1.513 2.261 ( -0.125 3.942 -1.606) 4.258 2.384 ( 0.071 -2.577 0.637) 2.655 2.518 ( -0.761 5.131 0.495) 5.210 2.634 ( -2.059 5.121 -1.124) 5.633 2.668 ( 0.444 4.761 -0.943) 4.873 3.384 ( -0.316 -3.004 -0.141) 3.024 3.498 ( -0.333 -1.845 -0.910) 2.084 3.607 ( 0.207 -1.545 -0.253) 1.579 4.044 ( -0.009 -1.549 0.198) 1.562 4.411 ( 0.135 -2.244 0.144) 2.253 4.453 ( 0.366 -1.425 0.186) 1.483 5.020 ( -0.263 1.809 -0.615) 1.928 5.108 ( 0.319 2.784 0.276) 2.815 5.126 ( -0.577 -2.019 -0.742) 2.227 5.179 ( 0.466 0.604 0.313) 0.824 5.239 ( -0.311 0.295 0.183) 0.466 5.305 ( 0.165 0.363 0.116) 0.415 5.632 ( -0.582 0.569 0.977) 1.272 5.660 ( 0.352 0.193 -0.761) 0.861 5.679 ( 0.008 0.686 -1.526) 1.673 5.795 ( -0.151 0.041 -0.865) 0.879 5.982 ( -0.831 0.716 -0.884) 1.409 6.000 ( 0.842 0.739 0.681) 1.311 7.728 ( 0.016 0.144 -0.057) 0.155 8.109 ( -0.323 -0.794 -0.080) 0.861 8.131 ( 0.007 1.649 -0.108) 1.652======================= Grid point 421 (203/231) =======================q-point: (-0.08 0.38 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( -3.355 -0.205 -0.497) 3.398 1.438 ( -1.995 1.459 -0.834) 2.609 1.503 ( 1.334 0.063 3.174) 3.444 1.585 ( -0.437 0.748 0.409) 0.958 1.717 ( -1.989 -0.166 2.537) 3.228 1.777 ( 0.153 0.021 3.121) 3.125 1.888 ( -2.405 -0.995 -1.539) 3.024 1.930 ( 0.103 1.152 1.139) 1.623 2.130 ( -0.852 -4.826 3.756) 6.174 2.169 ( -1.911 1.521 -5.165) 5.713 2.220 ( 1.074 -1.873 0.317) 2.183 2.460 ( -0.412 -4.459 0.941) 4.575 2.474 ( 0.696 -0.658 0.303) 1.004 2.577 ( 1.119 -0.034 -0.998) 1.500 2.619 ( 2.141 0.025 -1.185) 2.447 3.398 ( 0.130 1.511 -0.683) 1.663 3.481 ( 0.625 3.615 -0.874) 3.772 3.583 ( 1.149 4.234 -0.138) 4.389 4.045 ( -0.207 1.491 0.168) 1.515 4.433 ( -0.758 -0.109 0.020) 0.766 4.457 ( -0.309 1.054 0.371) 1.159 4.999 ( 0.264 0.162 -0.439) 0.537 5.065 ( 0.896 2.034 0.164) 2.228 5.173 ( -0.861 -2.898 -1.447) 3.351 5.179 ( 0.483 -0.635 1.104) 1.362 5.235 ( 0.169 0.145 0.079) 0.236 5.305 ( -0.341 -0.454 0.283) 0.635 5.624 ( 0.035 0.102 0.979) 0.985 5.658 ( 0.436 -0.055 -1.071) 1.158 5.676 ( 0.760 -0.218 -1.464) 1.664 5.790 ( 0.313 0.547 -0.844) 1.054 5.968 ( -0.269 0.236 -0.678) 0.767 5.996 ( 0.524 -0.077 0.667) 0.852 7.727 ( 0.016 -0.049 -0.046) 0.069 8.103 ( 0.294 1.027 -0.143) 1.078 8.129 ( 0.183 -1.074 -0.127) 1.097======================= Grid point 428 (204/231) =======================q-point: (-0.54 -0.54 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.684 ( -0.760 -0.000 3.518) 3.599 0.699 ( -0.398 -0.000 -4.594) 4.611 0.765 ( -2.143 -0.000 -6.692) 7.026 1.187 ( 7.701 0.000 12.579) 14.749 1.301 ( 4.762 0.000 5.372) 7.179 1.480 ( -3.916 -0.000 -4.250) 5.780 1.538 ( -1.013 -0.000 0.014) 1.013 1.566 ( 0.600 0.000 -2.849) 2.912 1.590 ( -0.965 -0.000 -2.935) 3.089 1.809 ( 1.056 0.000 1.117) 1.537 1.832 ( -1.525 -0.000 0.708) 1.681 1.884 ( -0.930 -0.000 -0.695) 1.161 2.021 ( 0.824 0.000 4.699) 4.770 2.370 ( -1.900 -0.000 -3.817) 4.264 2.694 ( 2.609 0.000 5.861) 6.415 3.082 ( -0.108 -0.000 -1.581) 1.584 3.156 ( 2.188 0.000 2.480) 3.307 3.323 ( -2.620 -0.000 -5.164) 5.790 4.180 ( -1.625 -0.000 -2.401) 2.899 4.527 ( -0.092 -0.000 0.887) 0.892 4.735 ( 1.139 0.000 2.218) 2.493 4.800 ( -0.366 -0.000 -0.202) 0.418 4.877 ( -0.172 -0.000 0.070) 0.186 4.954 ( -0.473 -0.000 -0.023) 0.474 5.097 ( 0.186 0.000 -0.350) 0.397 5.265 ( 0.410 0.000 0.270) 0.491 5.274 ( 0.535 0.000 -0.155) 0.557 5.302 ( -2.403 -0.000 -4.245) 4.878 5.852 ( -1.602 -0.000 -3.486) 3.837 6.083 ( 0.329 0.000 0.936) 0.992 6.101 ( -0.075 -0.000 0.053) 0.092 6.234 ( -0.872 -0.000 0.452) 0.982 6.238 ( 0.140 0.000 -1.029) 1.039 7.791 ( 0.160 0.000 0.277) 0.320 8.071 ( -0.700 -0.000 -1.176) 1.369 8.347 ( 0.543 0.000 1.178) 1.297======================= Grid point 429 (205/231) =======================q-point: (-0.46 -0.54 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.616 ( -0.053 7.666 3.468) 8.414 0.719 ( -2.832 -4.851 -0.168) 5.620 0.886 ( -2.657 -15.188 -7.433) 17.117 1.180 ( 7.550 2.203 10.876) 13.421 1.357 ( -6.326 3.965 -4.513) 8.724 1.429 ( 5.713 -3.618 8.404) 10.787 1.566 ( -3.816 -3.911 -5.240) 7.571 1.641 ( -1.221 -5.010 -2.647) 5.797 1.743 ( 0.399 -17.260 0.449) 17.270 1.851 ( 0.105 -3.783 0.968) 3.907 1.946 ( -0.355 -11.685 0.960) 11.730 2.025 ( 0.348 -0.593 3.221) 3.293 2.098 ( 0.012 -17.520 -0.235) 17.521 2.355 ( -0.231 0.291 -3.522) 3.541 2.698 ( 1.541 1.316 4.510) 4.944 3.078 ( 0.075 0.079 -1.521) 1.525 3.164 ( 2.704 0.515 2.133) 3.482 3.287 ( -2.267 1.865 -4.776) 5.605 4.137 ( -0.927 3.276 -1.268) 3.633 4.501 ( -0.027 2.644 0.928) 2.802 4.669 ( 0.215 4.642 0.131) 4.649 4.889 ( 0.628 -5.875 1.830) 6.186 4.915 ( 0.136 -4.110 -0.389) 4.131 5.001 ( -0.168 -4.692 0.325) 4.706 5.122 ( -0.058 -2.316 -0.636) 2.403 5.241 ( -1.412 1.092 -2.105) 2.760 5.289 ( -0.050 -1.224 -0.297) 1.261 5.374 ( 0.109 -6.935 -1.169) 7.034 5.816 ( -1.325 2.563 -2.431) 3.773 6.054 ( 0.200 3.956 0.365) 3.978 6.059 ( 0.409 3.670 0.238) 3.700 6.197 ( -1.065 3.186 0.566) 3.407 6.213 ( 0.980 2.802 -0.956) 3.119 7.786 ( 0.139 0.606 0.198) 0.652 8.066 ( -0.345 0.039 -0.907) 0.971 8.338 ( 0.415 1.315 0.818) 1.604======================= Grid point 430 (206/231) =======================q-point: (-0.38 -0.54 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.547 ( -1.904 -3.106 1.184) 3.831 0.871 ( 0.634 -10.332 3.884) 11.056 1.168 ( 0.383 -13.255 -3.539) 13.725 1.223 ( 4.970 -3.013 6.722) 8.886 1.276 ( -5.748 -0.456 -4.847) 7.533 1.522 ( 1.901 -3.897 3.617) 5.647 1.665 ( -0.759 -5.830 1.425) 6.049 1.721 ( -0.777 -4.196 -2.716) 5.058 1.957 ( 0.892 -4.996 -0.252) 5.081 2.013 ( -0.004 -3.588 5.557) 6.614 2.099 ( -1.041 -16.623 -1.642) 16.736 2.211 ( -0.511 -11.112 -1.140) 11.182 2.386 ( -1.158 -7.436 -2.487) 7.926 2.443 ( 0.668 -16.866 -0.115) 16.880 2.671 ( 0.182 2.152 2.629) 3.402 3.088 ( 0.112 -1.498 -1.065) 1.842 3.173 ( 2.188 -0.401 0.805) 2.366 3.236 ( -1.537 1.703 -3.172) 3.915 4.061 ( -0.247 4.201 -0.148) 4.211 4.438 ( 0.073 4.010 0.738) 4.078 4.577 ( -0.064 5.247 -0.391) 5.262 4.988 ( 0.328 -4.643 0.714) 4.709 5.022 ( 0.430 -5.671 0.743) 5.735 5.106 ( 0.330 -5.567 1.209) 5.706 5.161 ( -0.972 -1.494 -2.028) 2.700 5.225 ( -0.371 -0.499 -1.042) 1.214 5.309 ( -0.252 -0.674 -0.226) 0.754 5.520 ( 1.107 -7.558 -1.383) 7.763 5.752 ( -0.927 3.143 -1.255) 3.509 5.951 ( -0.164 5.936 0.223) 5.942 5.977 ( 0.823 5.565 -0.119) 5.626 6.120 ( -0.520 4.299 0.745) 4.394 6.146 ( 0.865 4.382 -0.782) 4.535 7.772 ( 0.098 0.896 0.075) 0.904 8.065 ( -0.142 -0.165 -0.570) 0.610 8.306 ( 0.162 2.222 0.370) 2.258======================= Grid point 431 (207/231) =======================q-point: (-0.31 -0.54 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( 1.510 -12.310 1.142) 12.455 1.091 ( 2.120 -11.482 2.871) 12.024 1.281 ( 1.885 -3.714 -0.504) 4.195 1.317 ( 1.182 -4.747 3.162) 5.825 1.393 ( 0.011 -8.164 -3.493) 8.880 1.613 ( 0.924 -4.228 2.814) 5.162 1.744 ( 1.726 -1.788 2.435) 3.480 1.779 ( 0.658 -2.124 -1.557) 2.714 1.975 ( -0.349 -0.089 1.064) 1.124 2.146 ( 0.087 -7.216 0.770) 7.258 2.311 ( -0.241 -3.061 -2.133) 3.738 2.363 ( -1.047 -9.227 -1.232) 9.368 2.584 ( -0.744 -9.028 -0.055) 9.059 2.652 ( -1.022 -2.476 1.156) 2.918 2.711 ( -1.767 -10.652 -0.292) 10.802 3.131 ( -0.385 -2.686 -0.752) 2.816 3.211 ( 0.110 -3.245 -1.269) 3.486 3.239 ( -0.373 -4.051 -0.286) 4.078 3.989 ( 0.088 3.007 0.323) 3.026 4.366 ( 0.314 3.342 0.345) 3.374 4.477 ( 0.182 4.937 -0.192) 4.944 5.063 ( -0.267 -2.919 -0.143) 2.935 5.112 ( 0.272 -3.586 1.207) 3.794 5.145 ( -0.461 1.344 -0.960) 1.715 5.198 ( -0.546 -2.932 -0.055) 2.983 5.257 ( 0.159 -2.332 -0.234) 2.349 5.306 ( 0.243 0.788 0.088) 0.829 5.633 ( 0.904 -3.549 -1.359) 3.906 5.694 ( -0.705 2.293 -0.723) 2.505 5.855 ( 0.018 4.519 0.628) 4.563 5.870 ( 0.237 5.042 -1.165) 5.181 6.050 ( 0.135 2.700 0.629) 2.775 6.068 ( 0.381 3.814 -0.518) 3.868 7.755 ( 0.050 0.839 -0.034) 0.841 8.070 ( -0.222 -0.475 -0.242) 0.578 8.260 ( -0.190 2.577 0.027) 2.584======================= Grid point 432 (208/231) =======================q-point: (-0.23 -0.54 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( 3.353 -13.263 1.341) 13.746 1.304 ( 2.798 -9.252 -1.475) 9.778 1.379 ( 4.590 -4.498 0.253) 6.432 1.433 ( 1.311 -6.646 4.211) 7.976 1.503 ( 1.979 -3.878 -1.152) 4.504 1.689 ( -0.587 -3.697 1.945) 4.218 1.745 ( 2.184 2.075 1.379) 3.313 1.800 ( 2.114 0.278 0.472) 2.183 1.994 ( 0.051 -1.556 -0.341) 1.594 2.243 ( 0.229 -2.563 0.729) 2.675 2.329 ( 0.022 0.480 -1.580) 1.652 2.425 ( 0.123 0.834 -0.383) 0.925 2.655 ( -1.576 -1.413 0.514) 2.178 2.743 ( -2.236 -2.970 -0.479) 3.749 2.813 ( -2.325 -1.365 -0.355) 2.720 3.189 ( -0.776 -4.529 -0.230) 4.601 3.298 ( -1.045 -6.199 -0.957) 6.359 3.371 ( -0.923 -8.861 -0.278) 8.913 3.964 ( 0.187 -0.406 0.313) 0.546 4.334 ( 0.807 0.040 0.199) 0.832 4.414 ( 0.744 1.608 0.028) 1.772 5.084 ( -0.642 0.464 -0.653) 1.026 5.114 ( -1.229 0.923 -1.484) 2.137 5.161 ( 0.472 -1.192 1.600) 2.050 5.215 ( -0.159 0.668 0.505) 0.852 5.274 ( -0.651 0.950 -0.602) 1.299 5.306 ( 1.263 -0.707 0.493) 1.529 5.648 ( -1.126 0.592 0.325) 1.313 5.676 ( 0.634 0.245 -1.028) 1.232 5.761 ( -0.275 4.322 -0.882) 4.420 5.817 ( -0.529 1.558 -0.748) 1.807 6.015 ( -0.407 1.740 -0.395) 1.830 6.024 ( 0.783 0.697 0.208) 1.068 7.742 ( 0.023 0.604 -0.086) 0.610 8.080 ( -0.456 -0.690 0.002) 0.827 8.211 ( -0.475 2.487 -0.122) 2.535======================= Grid point 433 (209/231) =======================q-point: (-0.15 -0.54 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.211 ( 2.924 -10.086 1.075) 10.556 1.438 ( 2.894 -3.241 0.587) 4.385 1.458 ( 3.699 -1.956 -1.003) 4.302 1.549 ( -0.862 -3.028 -4.200) 5.249 1.605 ( 4.107 -6.933 3.262) 8.693 1.714 ( 1.316 0.172 2.684) 2.994 1.760 ( 2.237 -1.990 4.261) 5.208 1.829 ( 0.765 -3.578 0.270) 3.669 2.015 ( 0.859 -0.397 -0.090) 0.950 2.249 ( 0.250 1.703 -0.085) 1.723 2.307 ( 0.095 1.534 -0.451) 1.601 2.389 ( 0.825 2.218 0.136) 2.370 2.614 ( -2.071 4.531 0.099) 4.983 2.713 ( -3.379 3.912 -1.044) 5.274 2.763 ( -1.395 4.672 -0.512) 4.903 3.291 ( -0.734 -6.044 0.247) 6.093 3.414 ( -1.254 -6.107 -0.775) 6.282 3.522 ( -0.870 -6.993 -0.549) 7.068 4.000 ( 0.151 -2.737 0.178) 2.747 4.366 ( 0.996 -2.478 0.318) 2.690 4.422 ( 0.924 -1.608 0.008) 1.855 5.053 ( -0.816 1.920 -1.003) 2.315 5.100 ( -1.341 -0.269 -1.349) 1.921 5.157 ( 0.136 1.820 1.074) 2.118 5.199 ( 0.942 0.948 1.054) 1.702 5.248 ( -0.520 1.060 -0.185) 1.195 5.314 ( 0.550 0.284 -0.134) 0.633 5.637 ( -0.975 0.231 0.783) 1.272 5.667 ( 0.377 0.584 -0.502) 0.857 5.699 ( -0.665 2.016 -1.301) 2.490 5.795 ( -0.632 0.395 -0.823) 1.110 5.990 ( -0.869 0.769 -0.620) 1.316 6.017 ( 0.748 0.600 0.051) 0.961 7.733 ( 0.012 0.355 -0.095) 0.368 8.092 ( -0.562 -0.815 0.088) 0.994 8.165 ( -0.452 2.079 -0.122) 2.131======================= Grid point 434 (210/231) =======================q-point: (-0.08 -0.54 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( 0.272 -3.352 -0.859) 3.471 1.459 ( -0.052 1.339 -1.786) 2.232 1.486 ( 1.616 -1.082 1.301) 2.340 1.591 ( 1.097 -1.681 1.349) 2.419 1.705 ( 1.967 -1.488 3.716) 4.460 1.760 ( -0.135 -2.482 1.958) 3.164 1.822 ( 2.604 -3.557 0.669) 4.459 1.930 ( 0.105 -4.771 0.419) 4.790 2.022 ( 0.021 -1.099 1.609) 1.949 2.207 ( -0.294 1.862 -1.782) 2.594 2.256 ( -0.177 3.658 -1.251) 3.870 2.392 ( 0.939 -2.243 2.333) 3.369 2.510 ( -0.947 4.286 0.063) 4.390 2.612 ( -2.158 3.915 -1.131) 4.611 2.665 ( -0.406 4.223 -1.420) 4.474 3.381 ( -0.377 -3.164 0.064) 3.187 3.492 ( -0.470 -2.303 -0.749) 2.467 3.607 ( -0.052 -2.082 -0.520) 2.147 4.044 ( -0.002 -1.449 0.128) 1.455 4.414 ( 0.457 -1.789 0.386) 1.886 4.457 ( 0.351 -1.095 -0.003) 1.150 5.014 ( -0.548 1.458 -0.936) 1.818 5.112 ( -0.420 0.369 -0.582) 0.807 5.119 ( 0.064 0.113 0.298) 0.325 5.186 ( 0.698 0.829 0.447) 1.172 5.236 ( -0.354 0.093 0.199) 0.417 5.306 ( 0.116 0.526 -0.040) 0.540 5.630 ( -0.417 0.294 1.096) 1.209 5.661 ( 0.176 0.306 -0.615) 0.709 5.674 ( -0.139 0.195 -1.617) 1.635 5.791 ( -0.213 -0.175 -0.762) 0.811 5.973 ( -0.710 0.593 -0.857) 1.260 6.007 ( 0.569 0.685 0.392) 0.973 7.728 ( 0.008 0.141 -0.074) 0.159 8.106 ( -0.368 -0.903 -0.004) 0.975 8.130 ( -0.050 1.386 -0.098) 1.390======================= Grid point 442 (211/231) =======================q-point: (-0.46 -0.46 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( -2.674 -0.000 -0.216) 2.683 0.673 ( -3.690 -0.000 -2.146) 4.269 0.749 ( -2.170 -0.000 0.139) 2.175 1.280 ( 6.392 0.000 13.626) 15.050 1.337 ( 0.872 0.000 2.474) 2.623 1.404 ( -8.619 -0.000 -8.098) 11.827 1.531 ( -0.891 -0.000 0.493) 1.018 1.565 ( -0.957 -0.000 -1.633) 1.892 1.576 ( -0.473 -0.000 -1.923) 1.980 1.818 ( 0.447 0.000 0.373) 0.582 1.827 ( 0.012 0.000 0.943) 0.943 1.879 ( 0.060 0.000 -0.302) 0.308 2.035 ( 0.096 0.000 3.762) 3.763 2.360 ( 1.471 0.000 -3.028) 3.367 2.721 ( 0.793 0.000 3.687) 3.772 3.080 ( 0.447 0.000 -1.510) 1.575 3.186 ( 3.180 0.000 1.755) 3.632 3.291 ( -1.898 -0.000 -4.313) 4.712 4.165 ( -0.791 -0.000 -1.096) 1.352 4.528 ( -0.210 -0.000 0.827) 0.853 4.747 ( 0.619 0.000 1.355) 1.489 4.800 ( 0.296 0.000 -0.138) 0.326 4.877 ( 0.276 0.000 0.019) 0.276 4.953 ( 0.174 0.000 0.090) 0.195 5.097 ( -0.136 -0.000 -0.303) 0.332 5.265 ( -0.620 -0.000 0.277) 0.679 5.275 ( -0.331 -0.000 -0.181) 0.377 5.279 ( -1.022 -0.000 -2.358) 2.570 5.833 ( -1.322 -0.000 -1.711) 2.162 6.091 ( 0.996 0.000 0.386) 1.068 6.101 ( 0.042 0.000 -0.047) 0.063 6.223 ( -1.058 -0.000 0.330) 1.108 6.247 ( 1.599 0.000 -0.800) 1.788 7.792 ( 0.105 0.000 0.138) 0.173 8.065 ( 0.019 0.000 -0.690) 0.690 8.354 ( 0.345 0.000 0.615) 0.705======================= Grid point 443 (212/231) =======================q-point: (-0.38 -0.46 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.593 ( -5.863 7.730 2.370) 9.987 0.712 ( -0.008 -6.419 3.375) 7.252 0.853 ( -1.591 -15.433 -3.672) 15.943 1.240 ( -2.599 2.414 0.151) 3.550 1.304 ( 0.222 3.558 3.630) 5.088 1.489 ( 3.602 -3.229 6.236) 7.892 1.511 ( -5.396 -5.403 -5.667) 9.509 1.624 ( -1.345 -5.389 -1.048) 5.652 1.743 ( -0.413 -17.122 -0.112) 17.128 1.857 ( 0.827 -3.459 0.747) 3.634 1.947 ( 0.150 -12.211 0.713) 12.233 2.032 ( -0.411 0.350 2.627) 2.682 2.088 ( -1.844 -17.042 -0.311) 17.144 2.361 ( 2.996 0.208 -2.570) 3.953 2.711 ( -0.353 1.521 2.191) 2.691 3.078 ( 0.636 0.152 -1.238) 1.400 3.192 ( 2.431 0.814 -0.371) 2.590 3.263 ( -0.720 1.713 -2.029) 2.751 4.130 ( -0.231 3.044 -0.151) 3.057 4.502 ( -0.185 2.560 0.717) 2.665 4.671 ( 0.076 4.889 -0.106) 4.890 4.899 ( 0.616 -5.982 1.181) 6.128 4.917 ( 0.339 -4.067 -0.683) 4.138 5.003 ( 0.428 -4.742 0.424) 4.780 5.119 ( -0.215 -2.161 -0.468) 2.221 5.231 ( -0.097 1.072 -0.452) 1.168 5.285 ( -0.698 -1.253 -0.180) 1.445 5.372 ( 0.151 -7.550 -1.036) 7.622 5.802 ( -1.049 2.436 -0.718) 2.748 6.055 ( 0.054 4.491 0.231) 4.497 6.066 ( 1.105 3.251 -0.264) 3.444 6.190 ( -0.677 2.996 0.536) 3.118 6.224 ( 1.717 3.015 -0.776) 3.555 7.787 ( 0.063 0.610 0.030) 0.614 8.065 ( 0.293 0.072 -0.387) 0.490 8.342 ( 0.160 1.378 0.258) 1.411======================= Grid point 444 (213/231) =======================q-point: (-0.31 -0.46 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.541 ( -0.426 -5.006 3.151) 5.930 0.885 ( 0.798 -10.843 2.428) 11.140 1.149 ( -2.317 -12.563 -3.863) 13.346 1.217 ( -3.139 -5.473 -3.574) 7.252 1.300 ( 6.183 -0.550 7.471) 9.713 1.526 ( -1.569 -4.153 -0.876) 4.526 1.680 ( 2.440 -7.413 3.846) 8.701 1.711 ( -0.281 -4.231 -1.481) 4.492 1.961 ( 0.383 -5.050 -1.400) 5.254 2.020 ( -0.953 -2.548 4.034) 4.866 2.084 ( -1.490 -17.097 -0.838) 17.183 2.204 ( -0.582 -10.838 -0.527) 10.867 2.362 ( -2.819 -10.757 -1.698) 11.249 2.452 ( 1.204 -12.719 -0.420) 12.783 2.671 ( -1.101 2.292 1.119) 2.778 3.087 ( 0.178 -1.263 -0.889) 1.555 3.183 ( 0.172 0.183 -3.142) 3.152 3.228 ( 0.987 1.554 1.149) 2.170 4.060 ( 0.145 4.097 0.372) 4.116 4.439 ( -0.008 3.912 0.402) 3.933 4.576 ( 0.064 5.221 -0.178) 5.225 4.990 ( 0.048 -4.361 0.032) 4.362 5.023 ( -0.394 -5.636 -0.271) 5.656 5.110 ( 0.122 -5.704 0.494) 5.727 5.154 ( 0.017 -1.005 -0.031) 1.006 5.226 ( 0.902 -0.599 0.217) 1.104 5.306 ( -0.322 -0.914 0.065) 0.972 5.528 ( 1.583 -7.746 -2.116) 8.184 5.742 ( -0.878 3.075 -0.027) 3.198 5.951 ( 0.087 5.956 0.458) 5.975 5.983 ( 0.719 5.790 -0.856) 5.897 6.118 ( -0.220 4.102 0.655) 4.160 6.155 ( 1.327 4.700 -0.619) 4.923 7.772 ( 0.011 0.903 -0.092) 0.908 8.065 ( 0.261 -0.042 -0.056) 0.270 8.306 ( -0.166 2.327 -0.069) 2.334======================= Grid point 445 (214/231) =======================q-point: (-0.23 -0.46 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( 4.467 -12.861 3.282) 14.005 1.110 ( 1.710 -11.830 -1.441) 12.040 1.257 ( -2.135 -7.215 -5.409) 9.267 1.374 ( 5.696 -3.236 5.656) 8.655 1.414 ( 4.559 -8.021 3.396) 9.832 1.610 ( -1.573 -4.627 -1.470) 5.103 1.784 ( 3.104 -3.157 2.080) 4.892 1.785 ( 3.121 -1.386 0.447) 3.444 1.970 ( -1.008 0.044 0.131) 1.018 2.148 ( -0.033 -7.314 0.398) 7.325 2.304 ( -0.370 -3.281 -1.265) 3.536 2.351 ( -1.185 -9.668 -0.131) 9.742 2.571 ( -1.994 -9.845 -0.684) 10.068 2.642 ( -1.837 -1.337 0.751) 2.393 2.688 ( -3.085 -10.222 0.001) 10.678 3.124 ( -0.767 -2.536 -0.699) 2.740 3.202 ( -0.958 -3.347 -2.266) 4.154 3.239 ( 0.233 -3.080 0.795) 3.190 3.991 ( 0.223 2.994 0.312) 3.018 4.370 ( 0.501 3.131 0.177) 3.176 4.481 ( 0.548 4.733 0.128) 4.767 5.056 ( -1.036 -2.623 -0.842) 2.943 5.102 ( -1.671 -2.656 -1.692) 3.565 5.154 ( 1.364 0.293 1.984) 2.425 5.194 ( -0.463 -2.588 0.575) 2.691 5.260 ( 0.507 -1.957 -0.008) 2.022 5.312 ( 0.742 0.255 0.557) 0.962 5.639 ( 1.302 -2.997 -1.494) 3.592 5.686 ( -0.894 2.049 -0.199) 2.245 5.856 ( -0.058 4.526 0.445) 4.548 5.867 ( -0.115 5.571 -1.552) 5.785 6.054 ( 0.306 2.455 0.279) 2.490 6.071 ( 0.566 4.216 -0.340) 4.267 7.755 ( -0.022 0.835 -0.164) 0.851 8.069 ( -0.076 -0.294 0.218) 0.374 8.257 ( -0.535 2.664 -0.229) 2.727======================= Grid point 446 (215/231) =======================q-point: (-0.15 -0.46 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.016 ( 5.344 -12.706 3.520) 14.227 1.321 ( 2.954 -9.532 -4.489) 10.942 1.401 ( 0.857 -8.003 -4.752) 9.347 1.462 ( 4.572 -2.592 3.400) 6.259 1.554 ( 6.624 -4.105 6.708) 10.282 1.668 ( -2.842 -3.516 -2.320) 5.081 1.786 ( 4.420 2.128 2.936) 5.718 1.827 ( 3.455 0.291 1.108) 3.640 1.993 ( 0.051 -2.212 -0.551) 2.280 2.247 ( 0.355 -2.650 0.493) 2.719 2.330 ( 0.479 0.268 -0.173) 0.576 2.427 ( 0.370 0.340 0.408) 0.647 2.637 ( -2.541 -1.079 0.113) 2.763 2.716 ( -3.587 -2.687 -0.799) 4.552 2.785 ( -3.534 -1.913 -0.367) 4.035 3.182 ( -0.864 -4.593 0.327) 4.685 3.284 ( -1.573 -6.005 -0.899) 6.272 3.358 ( -1.523 -8.749 -0.866) 8.922 3.966 ( 0.203 -0.395 0.062) 0.448 4.344 ( 1.202 -0.124 0.329) 1.252 4.422 ( 1.086 1.510 0.141) 1.865 5.073 ( -1.368 0.148 -1.091) 1.756 5.095 ( -1.692 0.829 -2.148) 2.858 5.174 ( 1.072 -0.310 2.647) 2.873 5.213 ( -0.641 -0.147 0.601) 0.891 5.270 ( 0.052 0.982 -0.633) 1.169 5.318 ( 1.233 -0.208 0.567) 1.373 5.639 ( -1.094 0.721 0.795) 1.532 5.681 ( 0.851 0.232 -0.615) 1.075 5.754 ( -0.709 4.541 -1.572) 4.857 5.808 ( -0.944 1.695 -0.688) 2.059 6.011 ( -0.338 2.109 -0.480) 2.190 6.030 ( 0.642 0.653 -0.175) 0.932 7.741 ( -0.025 0.591 -0.172) 0.616 8.076 ( -0.459 -0.559 0.348) 0.803 8.205 ( -0.727 2.467 -0.211) 2.580======================= Grid point 447 (216/231) =======================q-point: (-0.08 -0.46 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.247 ( 4.120 -8.585 2.656) 9.886 1.457 ( 2.455 -2.862 -3.479) 5.131 1.500 ( 4.730 -0.048 0.959) 4.826 1.526 ( -1.735 -4.827 -4.428) 6.776 1.640 ( 2.375 -3.845 0.976) 4.624 1.753 ( 5.140 -2.795 5.460) 8.003 1.792 ( 2.576 -1.860 4.324) 5.366 1.838 ( 1.118 -1.558 0.040) 1.918 2.026 ( 1.438 -0.661 0.504) 1.661 2.249 ( 0.278 2.114 -1.080) 2.391 2.309 ( 0.098 2.081 -0.073) 2.084 2.401 ( 1.486 1.791 1.845) 2.969 2.592 ( -2.708 4.144 -0.387) 4.966 2.676 ( -4.139 3.706 -1.171) 5.677 2.745 ( -2.381 3.992 -1.046) 4.764 3.286 ( -0.618 -6.142 0.884) 6.236 3.399 ( -1.520 -6.438 -0.679) 6.650 3.509 ( -1.392 -7.422 -1.138) 7.636 4.001 ( 0.159 -2.703 -0.002) 2.708 4.378 ( 1.374 -2.290 0.576) 2.732 4.431 ( 1.000 -1.415 -0.089) 1.735 5.041 ( -1.093 1.865 -1.276) 2.510 5.082 ( -1.663 -0.554 -1.703) 2.444 5.163 ( 0.361 1.776 1.628) 2.436 5.210 ( 0.769 0.727 1.458) 1.802 5.243 ( -0.339 1.184 -0.627) 1.383 5.319 ( 0.525 0.559 -0.197) 0.792 5.630 ( -0.886 0.037 1.089) 1.404 5.669 ( 0.276 0.782 -0.445) 0.942 5.689 ( -0.711 1.888 -1.371) 2.439 5.786 ( -0.853 0.156 -0.696) 1.112 5.982 ( -0.723 0.866 -0.641) 1.298 6.022 ( 0.367 0.606 -0.401) 0.815 7.732 ( -0.014 0.342 -0.141) 0.370 8.087 ( -0.582 -0.823 0.278) 1.046 8.160 ( -0.549 1.905 -0.116) 1.986======================= Grid point 456 (217/231) =======================q-point: (-0.38 -0.38 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.624 ( -6.717 -0.000 0.549) 6.740 0.656 ( 0.814 0.000 4.431) 4.506 0.709 ( -7.073 -0.000 0.242) 7.077 1.295 ( -10.740 -0.000 -9.058) 14.050 1.325 ( -3.572 -0.000 -1.503) 3.875 1.365 ( 4.964 0.000 12.973) 13.891 1.526 ( -0.548 -0.000 1.614) 1.704 1.537 ( -3.930 -0.000 -1.920) 4.374 1.575 ( 0.633 0.000 -0.518) 0.817 1.817 ( -0.389 -0.000 -0.565) 0.686 1.837 ( 1.615 0.000 1.255) 2.045 1.885 ( 1.102 0.000 0.291) 1.140 2.040 ( -0.530 -0.000 2.436) 2.493 2.381 ( 4.337 0.000 -2.083) 4.811 2.723 ( -1.472 -0.000 0.818) 1.684 3.084 ( 1.244 0.000 -1.127) 1.678 3.208 ( 1.256 0.000 -3.425) 3.647 3.281 ( 1.312 0.000 1.220) 1.792 4.161 ( 0.121 0.000 0.558) 0.571 4.527 ( -0.338 -0.000 0.695) 0.773 4.751 ( -0.052 -0.000 -0.035) 0.062 4.805 ( 0.921 0.000 -0.057) 0.922 4.882 ( 0.683 0.000 -0.038) 0.684 4.958 ( 0.822 0.000 0.221) 0.851 5.093 ( -0.436 -0.000 -0.248) 0.502 5.256 ( -1.531 -0.000 0.259) 1.553 5.268 ( -1.178 -0.000 -0.184) 1.193 5.275 ( 0.731 0.000 0.208) 0.760 5.822 ( -0.803 -0.000 0.264) 0.845 6.101 ( 0.341 0.000 0.274) 0.437 6.103 ( 1.194 0.000 -0.653) 1.361 6.218 ( -0.372 -0.000 0.468) 0.598 6.262 ( 2.130 0.000 -0.678) 2.235 7.793 ( 0.014 0.000 -0.054) 0.056 8.068 ( 0.732 0.000 -0.126) 0.743 8.356 ( 0.083 0.000 -0.031) 0.089======================= Grid point 457 (218/231) =======================q-point: (-0.31 -0.38 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.535 ( -7.820 4.675 2.945) 9.575 0.727 ( 1.076 -6.183 4.099) 7.496 0.838 ( -1.691 -16.288 1.479) 16.442 1.159 ( -9.228 2.217 -7.794) 12.281 1.354 ( 3.653 2.388 8.314) 9.390 1.441 ( -6.561 -5.087 -6.957) 10.832 1.524 ( 1.128 -6.049 5.055) 7.963 1.615 ( -0.702 -6.033 1.536) 6.265 1.736 ( -0.712 -15.609 -0.417) 15.631 1.868 ( 1.207 -3.656 -0.011) 3.851 1.952 ( 0.393 -12.169 0.785) 12.200 2.030 ( -1.194 0.864 1.546) 2.136 2.069 ( -1.969 -15.363 -0.308) 15.491 2.392 ( 4.690 0.391 -1.618) 4.976 2.701 ( -2.331 1.408 -0.351) 2.745 3.084 ( 1.265 0.400 -0.846) 1.574 3.194 ( -0.196 1.033 -5.171) 5.277 3.276 ( 2.776 1.820 3.283) 4.669 4.133 ( 0.525 3.052 1.147) 3.303 4.501 ( -0.323 2.507 0.457) 2.569 4.670 ( -0.040 4.935 -0.354) 4.947 4.905 ( 0.380 -6.179 -0.055) 6.191 4.918 ( 0.461 -3.345 -0.653) 3.439 5.010 ( 0.980 -4.629 0.475) 4.756 5.116 ( -0.343 -2.208 -0.229) 2.247 5.239 ( 1.611 0.628 1.509) 2.295 5.276 ( -1.233 -1.518 -0.032) 1.956 5.371 ( 0.236 -8.129 -1.189) 8.218 5.795 ( -0.479 2.466 1.098) 2.741 6.057 ( 0.220 4.490 0.285) 4.505 6.076 ( 1.210 3.434 -0.922) 3.756 6.188 ( -0.109 2.959 0.584) 3.018 6.239 ( 2.113 3.209 -0.596) 3.888 7.787 ( -0.048 0.614 -0.169) 0.639 8.070 ( 0.899 0.185 0.181) 0.935 8.342 ( -0.145 1.443 -0.341) 1.490======================= Grid point 458 (219/231) =======================q-point: (-0.23 -0.38 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.555 ( 1.587 -8.215 4.393) 9.450 0.897 ( 1.234 -10.668 0.911) 10.778 1.097 ( -5.503 -8.043 -7.283) 12.166 1.220 ( 2.585 -13.713 3.734) 14.445 1.361 ( 3.874 -1.360 4.873) 6.372 1.501 ( -2.513 -4.915 -1.888) 5.834 1.696 ( -0.430 -7.257 -0.655) 7.299 1.727 ( 3.208 -6.074 4.431) 8.174 1.959 ( 0.305 -5.411 -2.352) 5.908 2.011 ( -2.295 -2.249 1.114) 3.401 2.071 ( -1.350 -16.554 0.729) 16.625 2.199 ( -0.449 -10.766 0.160) 10.777 2.332 ( -3.030 -12.413 -1.128) 12.827 2.460 ( 0.833 -8.803 -0.534) 8.858 2.657 ( -2.233 1.845 -0.334) 2.916 3.087 ( 0.330 -0.668 -0.679) 1.008 3.169 ( -0.892 0.358 -4.403) 4.506 3.251 ( 2.382 2.119 2.907) 4.315 4.065 ( 0.511 4.231 0.902) 4.356 4.439 ( -0.083 3.730 0.079) 3.732 4.577 ( 0.212 5.043 0.025) 5.048 4.988 ( -0.347 -3.809 -0.784) 3.904 5.015 ( -0.888 -5.356 -0.818) 5.490 5.109 ( -0.434 -4.631 -0.603) 4.690 5.162 ( 1.029 -2.346 1.995) 3.247 5.241 ( 2.000 0.111 1.299) 2.387 5.304 ( -0.191 -1.416 0.497) 1.513 5.538 ( 1.898 -7.992 -3.123) 8.788 5.737 ( -0.519 3.332 1.171) 3.569 5.955 ( 0.414 5.973 0.712) 6.030 5.986 ( 0.476 6.140 -1.460) 6.329 6.119 ( 0.075 4.027 0.446) 4.052 6.167 ( 1.542 5.070 -0.395) 5.314 7.771 ( -0.098 0.897 -0.266) 0.940 8.070 ( 0.657 0.204 0.467) 0.831 8.303 ( -0.486 2.421 -0.510) 2.521======================= Grid point 459 (220/231) =======================q-point: (-0.15 -0.38 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.798 ( 5.782 -13.433 4.816) 15.397 1.121 ( 2.410 -11.923 -3.682) 12.709 1.231 ( -1.069 -9.286 -4.955) 10.580 1.434 ( 5.182 -3.632 3.913) 7.440 1.478 ( 6.181 -8.480 6.786) 12.496 1.587 ( -1.918 -4.422 -2.287) 5.335 1.789 ( 0.612 -4.322 -1.674) 4.675 1.844 ( 5.887 -1.728 3.272) 6.954 1.959 ( -1.345 -0.019 -0.751) 1.540 2.149 ( 0.184 -7.697 0.298) 7.705 2.297 ( -0.928 -4.450 -0.666) 4.594 2.344 ( -0.516 -9.299 1.088) 9.376 2.546 ( -2.955 -10.329 -1.151) 10.805 2.622 ( -2.836 -1.641 -0.293) 3.289 2.659 ( -3.412 -8.434 0.731) 9.128 3.115 ( -0.991 -2.404 -0.708) 2.695 3.186 ( -1.203 -3.607 -2.371) 4.481 3.244 ( 0.341 -1.396 1.045) 1.777 3.994 ( 0.301 3.109 0.303) 3.138 4.375 ( 0.577 2.760 0.062) 2.820 4.487 ( 0.796 4.485 0.377) 4.571 5.041 ( -1.544 -2.273 -1.495) 3.128 5.083 ( -1.520 -2.053 -1.549) 2.987 5.162 ( -0.425 -2.056 0.349) 2.128 5.200 ( 1.338 -0.355 2.807) 3.130 5.266 ( 0.707 -1.529 0.067) 1.686 5.322 ( 1.047 -0.286 0.972) 1.457 5.649 ( 1.613 -2.481 -1.732) 3.429 5.678 ( -1.005 1.835 0.251) 2.107 5.856 ( -0.129 5.516 -0.247) 5.523 5.862 ( -0.250 5.462 -1.237) 5.605 6.057 ( 0.295 2.388 -0.250) 2.419 6.076 ( 0.703 4.600 -0.051) 4.654 7.754 ( -0.102 0.810 -0.286) 0.865 8.070 ( 0.133 -0.002 0.640) 0.654 8.250 ( -0.781 2.714 -0.474) 2.864======================= Grid point 460 (221/231) =======================q-point: (-0.08 -0.38 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( 5.938 -12.209 5.487) 14.644 1.340 ( 3.449 -9.981 -5.041) 11.702 1.393 ( 0.385 -7.675 -4.282) 8.797 1.512 ( 4.214 -1.556 0.760) 4.555 1.622 ( 1.397 -0.716 1.940) 2.496 1.653 ( 3.899 -7.449 4.561) 9.565 1.822 ( 2.741 0.872 -0.432) 2.909 1.869 ( 4.845 1.749 2.320) 5.650 1.993 ( 0.184 -3.284 -0.676) 3.358 2.254 ( 0.938 -2.666 0.967) 2.987 2.334 ( 0.312 0.004 0.081) 0.323 2.435 ( 0.967 -0.355 1.695) 1.984 2.611 ( -3.137 -0.676 -0.278) 3.221 2.677 ( -4.359 -2.268 -1.155) 5.047 2.750 ( -4.108 -2.463 -0.359) 4.803 3.175 ( -0.784 -4.844 0.753) 4.964 3.267 ( -1.744 -5.807 -0.903) 6.130 3.341 ( -1.718 -8.435 -1.377) 8.718 3.968 ( 0.168 -0.363 -0.130) 0.420 4.356 ( 1.309 -0.396 0.443) 1.437 4.433 ( 1.172 1.485 0.227) 1.906 5.056 ( -1.735 -0.287 -1.464) 2.288 5.076 ( -1.377 1.057 -1.838) 2.528 5.190 ( 1.147 0.383 2.868) 3.112 5.205 ( -1.221 -0.812 0.231) 1.485 5.272 ( 0.638 1.138 -0.399) 1.364 5.330 ( 1.114 0.197 0.635) 1.298 5.632 ( -0.984 0.791 1.082) 1.662 5.689 ( 1.110 0.252 -0.283) 1.172 5.742 ( -0.821 4.677 -2.076) 5.183 5.797 ( -1.232 1.942 -0.669) 2.396 6.007 ( -0.198 2.466 -0.409) 2.507 6.034 ( 0.384 0.742 -0.596) 1.026 7.740 ( -0.072 0.560 -0.242) 0.614 8.073 ( -0.335 -0.357 0.619) 0.789 8.197 ( -0.816 2.394 -0.291) 2.546======================= Grid point 470 (222/231) =======================q-point: (-0.31 -0.31 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.560 ( -8.510 -0.000 3.716) 9.286 0.625 ( -11.266 -0.000 -0.462) 11.276 0.697 ( 4.211 0.000 10.356) 11.180 1.169 ( -12.207 -0.000 -10.009) 15.786 1.271 ( -6.681 -0.000 -4.680) 8.157 1.421 ( 0.175 0.000 8.129) 8.131 1.502 ( -1.580 -0.000 1.920) 2.487 1.528 ( -0.181 -0.000 2.574) 2.580 1.581 ( 0.779 0.000 0.006) 0.779 1.811 ( -0.438 -0.000 -0.919) 1.018 1.860 ( 2.755 0.000 1.380) 3.081 1.897 ( 1.315 0.000 0.493) 1.405 2.036 ( -1.129 -0.000 0.696) 1.326 2.423 ( 5.580 0.000 -1.320) 5.734 2.700 ( -3.462 -0.000 -1.785) 3.895 3.097 ( 1.918 0.000 -0.809) 2.082 3.197 ( -0.531 -0.000 -5.823) 5.847 3.315 ( 3.795 0.000 4.269) 5.712 4.170 ( 1.201 0.000 2.356) 2.645 4.525 ( -0.350 -0.000 0.605) 0.698 4.746 ( -0.592 -0.000 -1.532) 1.642 4.815 ( 1.416 0.000 0.027) 1.416 4.889 ( 0.989 0.000 -0.083) 0.992 4.968 ( 1.388 0.000 0.324) 1.425 5.088 ( -0.643 -0.000 -0.176) 0.667 5.239 ( -2.210 -0.000 0.215) 2.221 5.254 ( -1.862 -0.000 -0.175) 1.871 5.293 ( 2.404 0.000 2.663) 3.588 5.821 ( 0.084 0.000 2.230) 2.232 6.103 ( 0.294 0.000 -0.028) 0.295 6.114 ( 1.431 0.000 -0.951) 1.719 6.218 ( 0.173 0.000 0.565) 0.591 6.281 ( 2.479 0.000 -0.489) 2.527 7.792 ( -0.121 -0.000 -0.257) 0.284 8.078 ( 1.359 0.000 0.453) 1.433 8.355 ( -0.245 -0.000 -0.677) 0.720======================= Grid point 471 (223/231) =======================q-point: (-0.23 -0.31 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.477 ( -6.348 0.413 3.788) 7.404 0.740 ( -1.211 -8.538 3.041) 9.144 0.831 ( -0.939 -13.893 5.874) 15.113 1.061 ( -8.181 -1.000 -6.696) 10.619 1.357 ( -6.853 -3.194 -6.777) 10.153 1.394 ( -0.075 -3.611 3.779) 5.227 1.542 ( 0.698 -5.092 5.744) 7.708 1.619 ( 0.088 -6.946 3.414) 7.740 1.730 ( -0.416 -14.012 -0.350) 14.022 1.877 ( 0.981 -3.937 -1.041) 4.189 1.956 ( 0.008 -11.335 0.756) 11.360 2.019 ( -1.610 0.996 0.065) 1.895 2.055 ( -0.979 -13.377 -0.220) 13.414 2.433 ( 4.881 1.030 -0.950) 5.078 2.670 ( -3.771 1.030 -2.293) 4.532 3.096 ( 1.710 0.753 -0.600) 1.962 3.177 ( -0.636 1.045 -5.167) 5.310 3.314 ( 3.560 2.230 3.965) 5.777 4.145 ( 1.332 3.377 2.364) 4.332 4.499 ( -0.343 2.516 0.283) 2.556 4.668 ( -0.153 4.748 -0.650) 4.795 4.904 ( -0.090 -5.538 -1.454) 5.726 4.923 ( 0.806 -2.958 0.038) 3.066 5.022 ( 1.245 -4.232 0.347) 4.425 5.113 ( -0.329 -2.520 0.126) 2.545 5.259 ( -0.052 -0.745 0.508) 0.904 5.269 ( 1.461 -1.652 1.920) 2.924 5.372 ( 0.462 -8.302 -1.212) 8.402 5.799 ( 0.486 2.668 2.698) 3.826 6.061 ( 0.553 4.377 0.337) 4.425 6.083 ( 1.012 3.728 -1.334) 4.087 6.190 ( 0.216 3.009 0.490) 3.056 6.258 ( 2.282 3.440 -0.367) 4.144 7.785 ( -0.187 0.611 -0.353) 0.730 8.081 ( 1.400 0.360 0.722) 1.616 8.338 ( -0.484 1.493 -0.899) 1.809======================= Grid point 472 (224/231) =======================q-point: (-0.15 -0.31 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.588 ( 3.305 -11.146 4.755) 12.560 0.914 ( 1.965 -10.256 1.005) 10.491 1.032 ( -4.846 -9.848 -7.670) 13.390 1.263 ( 3.873 -17.046 6.935) 18.806 1.379 ( -1.057 -3.988 -2.095) 4.627 1.489 ( 0.384 -4.357 2.672) 5.125 1.688 ( -1.073 -6.896 0.711) 7.015 1.764 ( 2.689 -7.877 3.754) 9.130 1.957 ( 0.685 -4.758 -2.974) 5.653 1.986 ( -3.181 -4.120 -1.000) 5.300 2.061 ( -1.443 -15.047 1.127) 15.158 2.196 ( -0.433 -11.282 0.624) 11.307 2.306 ( -2.210 -12.574 -0.777) 12.791 2.464 ( 0.327 -5.080 -0.550) 5.120 2.631 ( -2.932 0.950 -1.368) 3.372 3.090 ( 0.540 0.171 -0.490) 0.749 3.151 ( -0.788 0.321 -3.914) 4.005 3.279 ( 2.351 2.997 2.885) 4.779 4.073 ( 0.785 4.609 1.314) 4.857 4.438 ( -0.099 3.515 -0.101) 3.517 4.580 ( 0.314 4.752 0.118) 4.764 4.979 ( -1.057 -3.417 -1.777) 3.994 5.007 ( -0.452 -4.757 -0.262) 4.786 5.102 ( -0.721 -3.581 -0.876) 3.757 5.177 ( 1.227 -3.727 2.389) 4.593 5.264 ( 2.107 0.824 1.642) 2.795 5.307 ( 0.594 -1.713 1.248) 2.201 5.547 ( 1.733 -8.216 -4.106) 9.347 5.739 ( 0.179 3.922 1.943) 4.381 5.962 ( 0.791 6.037 0.895) 6.154 5.985 ( 0.274 6.501 -1.729) 6.732 6.120 ( 0.100 4.048 0.070) 4.050 6.180 ( 1.559 5.448 -0.145) 5.669 7.769 ( -0.204 0.871 -0.403) 0.981 8.079 ( 0.985 0.530 0.914) 1.444 8.296 ( -0.755 2.473 -0.894) 2.736======================= Grid point 473 (225/231) =======================q-point: (-0.08 -0.31 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.863 ( 5.882 -13.917 5.859) 16.205 1.139 ( 3.339 -11.968 -3.275) 12.850 1.215 ( -0.334 -10.861 -3.690) 11.475 1.468 ( 0.337 -4.830 -2.861) 5.624 1.532 ( 3.026 -6.740 4.101) 8.450 1.599 ( 5.345 -5.898 6.428) 10.231 1.785 ( -0.563 -5.411 -2.055) 5.815 1.894 ( 3.423 -2.163 0.947) 4.158 1.947 ( -0.420 -0.837 -0.755) 1.202 2.155 ( 0.992 -8.188 0.750) 8.282 2.283 ( -1.784 -6.299 -0.468) 6.564 2.350 ( 0.967 -8.086 1.996) 8.385 2.515 ( -3.358 -10.231 -1.554) 10.879 2.588 ( -4.156 -3.955 -1.293) 5.881 2.634 ( -2.464 -5.153 1.323) 5.863 3.104 ( -0.959 -2.184 -0.776) 2.509 3.171 ( -1.055 -3.546 -2.228) 4.319 3.250 ( 0.388 0.142 1.068) 1.145 3.998 ( 0.299 3.327 0.294) 3.353 4.380 ( 0.537 2.338 0.034) 2.399 4.496 ( 0.853 4.244 0.488) 4.356 5.023 ( -1.649 -2.037 -1.819) 3.190 5.068 ( -1.139 -1.763 -1.028) 2.337 5.154 ( -1.212 -2.809 -0.440) 3.091 5.224 ( 1.997 0.735 3.603) 4.185 5.272 ( 0.731 -1.175 0.005) 1.383 5.334 ( 1.129 -0.585 1.209) 1.755 5.660 ( 1.735 -2.638 -2.284) 3.897 5.669 ( -1.039 2.224 0.790) 2.579 5.851 ( -0.381 6.889 -1.833) 7.139 5.860 ( 0.030 5.162 0.219) 5.167 6.057 ( 0.155 2.429 -0.681) 2.528 6.083 ( 0.711 4.932 0.136) 4.985 7.752 ( -0.164 0.767 -0.365) 0.865 8.074 ( 0.359 0.351 0.941) 1.067 8.241 ( -0.881 2.701 -0.668) 2.918======================= Grid point 484 (226/231) =======================q-point: (-0.23 -0.23 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.496 ( -8.045 -0.000 7.390) 10.924 0.511 ( -13.672 -0.000 -0.831) 13.697 0.774 ( 6.379 0.000 15.025) 16.323 1.034 ( -12.562 -0.000 -10.128) 16.137 1.190 ( -8.065 -0.000 -6.715) 10.495 1.392 ( -5.942 -0.000 -0.500) 5.963 1.532 ( -0.384 -0.000 2.687) 2.714 1.536 ( 3.838 0.000 8.886) 9.679 1.587 ( 0.622 0.000 0.038) 0.623 1.807 ( -0.152 -0.000 -0.852) 0.865 1.889 ( 3.034 0.000 1.110) 3.231 1.909 ( 1.105 0.000 0.474) 1.202 2.023 ( -1.638 -0.000 -1.400) 2.155 2.470 ( 5.290 0.000 -0.852) 5.358 2.657 ( -4.462 -0.000 -3.238) 5.513 3.113 ( 2.091 0.000 -0.925) 2.286 3.180 ( -0.378 -0.000 -4.642) 4.658 3.359 ( 3.784 0.000 4.026) 5.525 4.194 ( 2.496 0.000 3.751) 4.506 4.524 ( -0.145 -0.000 0.643) 0.660 4.734 ( -0.902 -0.000 -2.762) 2.906 4.830 ( 1.679 0.000 0.099) 1.682 4.899 ( 1.109 0.000 -0.102) 1.114 4.983 ( 1.742 0.000 0.350) 1.777 5.082 ( -0.652 -0.000 -0.067) 0.655 5.218 ( -2.556 -0.000 0.130) 2.559 5.235 ( -2.231 -0.000 -0.149) 2.236 5.328 ( 3.560 0.000 4.223) 5.523 5.834 ( 1.393 0.000 3.711) 3.964 6.106 ( 0.590 0.000 -0.331) 0.676 6.124 ( 1.280 0.000 -0.923) 1.578 6.222 ( 0.320 0.000 0.458) 0.559 6.303 ( 2.551 0.000 -0.260) 2.565 7.790 ( -0.270 -0.000 -0.417) 0.496 8.094 ( 1.814 0.000 0.959) 2.052 8.349 ( -0.611 -0.000 -1.229) 1.373======================= Grid point 485 (227/231) =======================q-point: (-0.15 -0.23 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.443 ( -3.525 -4.353 3.758) 6.745 0.710 ( -5.724 -15.694 2.306) 16.863 0.846 ( 0.300 -3.185 2.808) 4.256 0.998 ( -3.508 -8.644 1.756) 9.492 1.273 ( -7.466 -6.662 -8.624) 13.209 1.389 ( -2.445 -5.445 2.171) 6.351 1.568 ( 1.728 -2.886 6.515) 7.332 1.630 ( 0.645 -7.709 4.289) 8.846 1.728 ( -0.058 -12.946 -0.102) 12.947 1.880 ( 0.438 -4.226 -1.781) 4.606 1.952 ( -1.335 -8.224 -0.115) 8.332 2.004 ( -1.130 -0.218 -1.561) 1.940 2.050 ( -0.043 -11.993 0.025) 11.993 2.472 ( 4.155 1.786 -0.587) 4.560 2.627 ( -4.217 0.589 -3.073) 5.251 3.111 ( 1.720 1.015 -0.753) 2.135 3.162 ( -0.358 1.151 -3.869) 4.052 3.353 ( 3.127 2.629 3.466) 5.358 4.167 ( 2.047 4.097 3.075) 5.516 4.497 ( -0.219 2.623 0.261) 2.645 4.665 ( -0.285 4.321 -0.985) 4.441 4.899 ( -0.253 -4.337 -1.580) 4.623 4.932 ( 0.906 -2.906 0.187) 3.050 5.033 ( 0.980 -3.434 0.033) 3.571 5.112 ( -0.001 -3.137 0.599) 3.193 5.247 ( -1.549 -2.182 0.103) 2.678 5.299 ( 2.942 -3.532 0.618) 4.639 5.376 ( 1.085 -6.568 0.074) 6.658 5.816 ( 1.697 3.076 3.443) 4.919 6.068 ( 0.806 4.157 -0.009) 4.235 6.089 ( 1.026 4.090 -0.969) 4.327 6.193 ( 0.076 3.113 0.182) 3.119 6.278 ( 2.153 3.693 -0.138) 4.277 7.782 ( -0.303 0.596 -0.467) 0.815 8.097 ( 1.700 0.573 1.134) 2.122 8.329 ( -0.802 1.508 -1.327) 2.163======================= Grid point 486 (228/231) =======================q-point: (-0.08 -0.23 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.632 ( 3.813 -13.369 4.400) 14.582 0.935 ( 1.793 -10.230 1.782) 10.538 0.980 ( -3.071 -12.480 -5.643) 14.037 1.315 ( 3.515 -18.996 7.002) 20.548 1.340 ( -4.021 -6.175 -7.373) 10.424 1.515 ( 2.322 -4.958 6.653) 8.616 1.683 ( -0.769 -6.498 2.289) 6.932 1.791 ( 1.679 -8.141 2.735) 8.751 1.943 ( -3.226 1.224 -3.649) 5.022 1.967 ( 0.765 -11.246 -1.685) 11.397 2.049 ( -1.764 -14.267 0.397) 14.381 2.193 ( -0.766 -12.288 0.597) 12.326 2.291 ( -0.670 -12.158 -0.501) 12.186 2.464 ( -0.014 -1.477 -0.574) 1.584 2.600 ( -2.996 -0.113 -1.712) 3.452 3.094 ( 0.703 1.035 -0.403) 1.315 3.137 ( -0.599 0.285 -3.222) 3.290 3.305 ( 1.946 3.759 2.502) 4.917 4.084 ( 0.881 5.182 1.484) 5.462 4.437 ( -0.075 3.327 -0.122) 3.331 4.583 ( 0.326 4.405 0.084) 4.418 4.964 ( -1.269 -3.253 -1.869) 3.960 5.005 ( -0.095 -3.990 0.018) 3.991 5.093 ( -0.779 -2.983 -0.784) 3.181 5.193 ( 1.017 -4.337 1.989) 4.879 5.282 ( 1.035 -0.409 1.489) 1.859 5.322 ( 1.919 -0.286 1.800) 2.646 5.549 ( 1.040 -8.377 -4.454) 9.545 5.749 ( 0.935 4.740 1.798) 5.155 5.971 ( 0.618 6.215 0.152) 6.248 5.985 ( 0.655 6.835 -0.854) 6.920 6.120 ( -0.144 4.062 -0.350) 4.080 6.193 ( 1.327 5.788 0.045) 5.938 7.766 ( -0.262 0.830 -0.461) 0.985 8.091 ( 1.154 0.879 1.185) 1.873 8.286 ( -0.909 2.456 -1.144) 2.857======================= Grid point 498 (229/231) =======================q-point: (-0.15 -0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.386 ( -13.256 -0.000 -0.556) 13.267 0.458 ( -4.519 -0.000 10.750) 11.662 0.872 ( 6.022 0.000 14.984) 16.148 0.903 ( -10.724 -0.000 -7.131) 12.879 1.100 ( -8.073 -0.000 -8.056) 11.405 1.337 ( -5.301 -0.000 -1.651) 5.552 1.533 ( -0.617 -0.000 2.196) 2.281 1.590 ( 3.514 0.000 8.251) 8.968 1.593 ( 0.513 0.000 0.090) 0.521 1.805 ( 0.054 0.000 -0.646) 0.648 1.913 ( 1.523 0.000 -0.215) 1.538 1.918 ( 0.779 0.000 0.391) 0.872 2.003 ( -1.206 -0.000 -3.094) 3.321 2.511 ( 3.903 0.000 -0.736) 3.972 2.610 ( -4.005 -0.000 -3.115) 5.073 3.127 ( 1.483 0.000 -1.755) 2.298 3.171 ( 0.238 0.000 -2.560) 2.571 3.398 ( 2.958 0.000 3.229) 4.379 4.230 ( 3.537 0.000 3.887) 5.256 4.526 ( 0.255 0.000 0.803) 0.842 4.718 ( -1.125 -0.000 -3.514) 3.690 4.845 ( 1.595 0.000 0.145) 1.602 4.908 ( 0.955 0.000 -0.093) 0.959 5.000 ( 1.654 0.000 0.256) 1.674 5.077 ( -0.307 -0.000 0.110) 0.326 5.196 ( -2.477 -0.000 -0.013) 2.477 5.214 ( -2.099 -0.000 -0.092) 2.101 5.372 ( 3.847 0.000 4.482) 5.907 5.862 ( 2.722 0.000 3.875) 4.735 6.110 ( 0.445 0.000 -1.105) 1.191 6.136 ( 1.809 0.000 -0.031) 1.809 6.224 ( -0.102 -0.000 0.125) 0.161 6.325 ( 2.254 0.000 -0.083) 2.256 7.786 ( -0.350 -0.000 -0.478) 0.592 8.113 ( 1.970 0.000 1.262) 2.340 8.338 ( -0.927 -0.000 -1.575) 1.828======================= Grid point 499 (230/231) =======================q-point: (-0.08 -0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 423Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.415 ( -4.867 -9.383 0.492) 10.582 0.679 ( -1.234 -16.915 5.164) 17.729 0.831 ( -2.840 -1.560 -3.601) 4.844 1.009 ( 0.981 -11.896 10.051) 15.605 1.191 ( -5.773 -7.859 -8.257) 12.778 1.368 ( -2.981 -7.940 2.019) 8.718 1.597 ( 1.794 -3.028 5.380) 6.429 1.651 ( 1.398 -7.316 4.993) 8.967 1.728 ( 0.081 -12.359 0.105) 12.359 1.877 ( -0.154 -3.882 -2.140) 4.435 1.927 ( -3.335 -3.784 -2.728) 5.734 1.995 ( 0.143 -3.265 -1.716) 3.691 2.052 ( 0.400 -10.924 0.114) 10.932 2.503 ( 2.903 2.277 -0.477) 3.720 2.584 ( -3.574 0.397 -2.664) 4.476 3.121 ( 1.101 0.916 -1.501) 2.075 3.154 ( 0.073 1.567 -2.103) 2.624 3.385 ( 2.241 2.895 2.700) 4.549 4.194 ( 2.291 5.107 2.910) 6.308 4.496 ( -0.039 2.849 0.343) 2.870 4.659 ( -0.407 3.694 -1.234) 3.915 4.893 ( -0.239 -3.288 -1.092) 3.473 4.939 ( 0.710 -2.781 0.142) 2.874 5.038 ( 0.320 -2.494 -0.222) 2.525 5.116 ( 0.545 -3.799 0.931) 3.949 5.235 ( -1.155 -2.871 0.319) 3.111 5.314 ( 1.082 -8.166 -3.066) 8.789 5.395 ( 2.226 -2.326 2.486) 4.068 5.843 ( 2.498 3.678 2.741) 5.223 6.072 ( 0.233 3.927 -1.102) 4.085 6.101 ( 1.943 4.492 0.427) 4.912 6.191 ( -0.488 3.180 -0.249) 3.227 6.295 ( 1.634 3.938 0.003) 4.264 7.778 ( -0.315 0.575 -0.474) 0.809 8.116 ( 1.663 0.786 1.294) 2.249 8.318 ( -0.988 1.476 -1.512) 2.333======================= Grid point 512 (231/231) =======================q-point: (-0.08 -0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.285 ( -8.154 -0.000 -0.024) 8.154 0.469 ( 1.094 0.000 11.828) 11.879 0.783 ( -9.287 -0.000 -8.620) 12.671 0.977 ( 6.524 0.000 18.113) 19.252 1.014 ( -6.752 -0.000 -8.590) 10.926 1.293 ( -3.741 -0.000 -1.949) 4.219 1.533 ( -0.351 -0.000 1.527) 1.566 1.597 ( 0.308 0.000 0.183) 0.359 1.634 ( 2.327 0.000 7.085) 7.457 1.804 ( 0.068 0.000 -0.457) 0.462 1.906 ( -2.259 -0.000 -3.568) 4.222 1.925 ( 0.443 0.000 0.286) 0.528 1.995 ( 0.909 0.000 -2.582) 2.738 2.531 ( 0.723 0.000 -1.465) 1.634 2.580 ( -1.178 -0.000 -1.297) 1.752 3.130 ( 0.426 0.000 -2.435) 2.472 3.172 ( 0.653 0.000 -0.895) 1.108 3.426 ( 1.797 0.000 2.334) 2.946 4.270 ( 3.382 0.000 2.523) 4.219 4.532 ( 0.585 0.000 0.929) 1.098 4.699 ( -1.289 -0.000 -3.538) 3.766 4.858 ( 1.053 0.000 0.146) 1.063 4.914 ( 0.521 0.000 -0.065) 0.526 5.012 ( 0.896 0.000 0.088) 0.901 5.078 ( 0.362 0.000 0.286) 0.462 5.176 ( -1.828 -0.000 -0.159) 1.835 5.199 ( -1.298 -0.000 -0.023) 1.298 5.413 ( 3.104 0.000 3.576) 4.736 5.897 ( 3.125 0.000 2.338) 3.903 6.108 ( -0.112 -0.000 -1.437) 1.441 6.157 ( 2.667 0.000 0.611) 2.737 6.219 ( -0.911 -0.000 -0.327) 0.968 6.341 ( 1.451 0.000 -0.053) 1.452 7.782 ( -0.272 -0.000 -0.434) 0.512 8.133 ( 1.652 0.000 1.229) 2.059 8.326 ( -1.029 -0.000 -1.586) 1.891=================== 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 3/30420 10.0 25.541 38.272 23.533 0.000 12.896 0.000 3/30420 20.0 9.893 26.980 12.723 0.000 6.023 0.000 3/30420 30.0 6.465 21.700 8.881 0.000 4.163 0.000 3/30420 40.0 4.846 18.022 6.771 0.000 3.159 0.000 3/30420 50.0 3.877 15.233 5.447 0.000 2.529 0.000 3/30420 60.0 3.228 13.094 4.548 0.000 2.103 0.000 3/30420 70.0 2.766 11.436 3.902 0.000 1.797 0.000 3/30420 80.0 2.419 10.129 3.417 0.000 1.569 0.000 3/30420 90.0 2.150 9.079 3.041 0.000 1.392 0.000 3/30420 100.0 1.935 8.222 2.740 0.000 1.251 0.000 3/30420 110.0 1.759 7.511 2.493 0.000 1.136 0.000 3/30420 120.0 1.613 6.911 2.288 0.000 1.040 0.000 3/30420 130.0 1.490 6.400 2.115 0.000 0.960 0.000 3/30420 140.0 1.384 5.959 1.966 0.000 0.891 0.000 3/30420 150.0 1.292 5.575 1.837 0.000 0.832 0.000 3/30420 160.0 1.212 5.237 1.724 0.000 0.780 0.000 3/30420 170.0 1.141 4.938 1.624 0.000 0.734 0.000 3/30420 180.0 1.079 4.672 1.535 0.000 0.693 0.000 3/30420 190.0 1.022 4.433 1.455 0.000 0.657 0.000 3/30420 200.0 0.972 4.217 1.384 0.000 0.624 0.000 3/30420 210.0 0.926 4.021 1.319 0.000 0.594 0.000 3/30420 220.0 0.884 3.842 1.260 0.000 0.567 0.000 3/30420 230.0 0.846 3.679 1.206 0.000 0.543 0.000 3/30420 240.0 0.811 3.529 1.156 0.000 0.520 0.000 3/30420 250.0 0.779 3.391 1.110 0.000 0.500 0.000 3/30420 260.0 0.749 3.264 1.068 0.000 0.480 0.000 3/30420 270.0 0.722 3.145 1.029 0.000 0.463 0.000 3/30420 280.0 0.696 3.035 0.993 0.000 0.446 0.000 3/30420 290.0 0.672 2.933 0.959 0.000 0.431 0.000 3/30420 300.0 0.650 2.837 0.928 0.000 0.417 0.000 3/30420 310.0 0.629 2.747 0.898 0.000 0.403 0.000 3/30420 320.0 0.610 2.663 0.870 0.000 0.391 0.000 3/30420 330.0 0.592 2.583 0.844 0.000 0.379 0.000 3/30420 340.0 0.574 2.509 0.820 0.000 0.368 0.000 3/30420 350.0 0.558 2.438 0.797 0.000 0.357 0.000 3/30420 360.0 0.543 2.372 0.775 0.000 0.348 0.000 3/30420 370.0 0.528 2.309 0.754 0.000 0.338 0.000 3/30420 380.0 0.514 2.249 0.734 0.000 0.329 0.000 3/30420 390.0 0.501 2.192 0.716 0.000 0.321 0.000 3/30420 400.0 0.489 2.138 0.698 0.000 0.313 0.000 3/30420 410.0 0.477 2.087 0.681 0.000 0.305 0.000 3/30420 420.0 0.466 2.038 0.665 0.000 0.298 0.000 3/30420 430.0 0.455 1.991 0.650 0.000 0.291 0.000 3/30420 440.0 0.445 1.947 0.635 0.000 0.285 0.000 3/30420 450.0 0.435 1.904 0.621 0.000 0.278 0.000 3/30420 460.0 0.426 1.863 0.608 0.000 0.272 0.000 3/30420 470.0 0.417 1.824 0.595 0.000 0.267 0.000 3/30420 480.0 0.408 1.786 0.583 0.000 0.261 0.000 3/30420 490.0 0.400 1.750 0.571 0.000 0.256 0.000 3/30420 500.0 0.392 1.716 0.560 0.000 0.251 0.000 3/30420 510.0 0.384 1.683 0.549 0.000 0.246 0.000 3/30420 520.0 0.377 1.651 0.538 0.000 0.241 0.000 3/30420 530.0 0.370 1.620 0.528 0.000 0.237 0.000 3/30420 540.0 0.363 1.590 0.519 0.000 0.232 0.000 3/30420 550.0 0.356 1.562 0.509 0.000 0.228 0.000 3/30420 560.0 0.350 1.534 0.500 0.000 0.224 0.000 3/30420 570.0 0.344 1.508 0.491 0.000 0.220 0.000 3/30420 580.0 0.338 1.482 0.483 0.000 0.216 0.000 3/30420 590.0 0.332 1.457 0.475 0.000 0.213 0.000 3/30420 600.0 0.327 1.433 0.467 0.000 0.209 0.000 3/30420 610.0 0.322 1.410 0.459 0.000 0.206 0.000 3/30420 620.0 0.316 1.387 0.452 0.000 0.202 0.000 3/30420 630.0 0.311 1.365 0.445 0.000 0.199 0.000 3/30420 640.0 0.307 1.344 0.438 0.000 0.196 0.000 3/30420 650.0 0.302 1.324 0.431 0.000 0.193 0.000 3/30420 660.0 0.297 1.304 0.425 0.000 0.190 0.000 3/30420 670.0 0.293 1.285 0.419 0.000 0.187 0.000 3/30420 680.0 0.289 1.266 0.412 0.000 0.185 0.000 3/30420 690.0 0.284 1.248 0.407 0.000 0.182 0.000 3/30420 700.0 0.280 1.230 0.401 0.000 0.179 0.000 3/30420 710.0 0.276 1.213 0.395 0.000 0.177 0.000 3/30420 720.0 0.273 1.196 0.390 0.000 0.174 0.000 3/30420 730.0 0.269 1.180 0.384 0.000 0.172 0.000 3/30420 740.0 0.265 1.164 0.379 0.000 0.170 0.000 3/30420 750.0 0.262 1.149 0.374 0.000 0.167 0.000 3/30420 760.0 0.258 1.134 0.369 0.000 0.165 0.000 3/30420 770.0 0.255 1.119 0.365 0.000 0.163 0.000 3/30420 780.0 0.252 1.105 0.360 0.000 0.161 0.000 3/30420 790.0 0.249 1.091 0.355 0.000 0.159 0.000 3/30420 800.0 0.246 1.078 0.351 0.000 0.157 0.000 3/30420 810.0 0.243 1.065 0.347 0.000 0.155 0.000 3/30420 820.0 0.240 1.052 0.342 0.000 0.153 0.000 3/30420 830.0 0.237 1.039 0.338 0.000 0.151 0.000 3/30420 840.0 0.234 1.027 0.334 0.000 0.150 0.000 3/30420 850.0 0.231 1.015 0.330 0.000 0.148 0.000 3/30420 860.0 0.228 1.003 0.327 0.000 0.146 0.000 3/30420 870.0 0.226 0.992 0.323 0.000 0.144 0.000 3/30420 880.0 0.223 0.981 0.319 0.000 0.143 0.000 3/30420 890.0 0.221 0.970 0.316 0.000 0.141 0.000 3/30420 900.0 0.218 0.959 0.312 0.000 0.140 0.000 3/30420 910.0 0.216 0.948 0.309 0.000 0.138 0.000 3/30420 920.0 0.214 0.938 0.305 0.000 0.137 0.000 3/30420 930.0 0.211 0.928 0.302 0.000 0.135 0.000 3/30420 940.0 0.209 0.918 0.299 0.000 0.134 0.000 3/30420 950.0 0.207 0.909 0.296 0.000 0.132 0.000 3/30420 960.0 0.205 0.899 0.293 0.000 0.131 0.000 3/30420 970.0 0.203 0.890 0.290 0.000 0.130 0.000 3/30420 980.0 0.201 0.881 0.287 0.000 0.128 0.000 3/30420 990.0 0.199 0.872 0.284 0.000 0.127 0.000 3/30420 1000.0 0.197 0.864 0.281 0.000 0.126 0.000 3/30420Thermal conductivity related properties were written into "kappa-m13135.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 10:41:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|