----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:43:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.445615145050554 -4.074390155000000 0.000000000000000 b 3.445615145050554 4.074390155000000 0.000000000000000 c -3.381969279130689 0.000000000000000 6.830141659871767 Atomic positions (fractional): *1 H 0.13749113812369 0.03671472012130 0.20354623228251 1.008 2 H 0.96328527987870 0.86250886187631 0.29645376771749 1.008 3 H 0.86250886187631 0.96328527987870 0.79645376771749 1.008 4 H 0.03671472012130 0.13749113812369 0.70354623228251 1.008 *5 O 0.30906211231415 0.70383358689622 0.57261783154328 15.999 6 O 0.29616641310378 0.69093788768585 0.92738216845672 15.999 7 O 0.69093788768585 0.29616641310378 0.42738216845672 15.999 8 O 0.70383358689622 0.30906211231415 0.07261783154328 15.999 *9 O 0.75736583396197 0.68797320945487 0.84279907571974 15.999 10 O 0.31202679054513 0.24263416603803 0.65720092428026 15.999 11 O 0.24263416603803 0.31202679054513 0.15720092428026 15.999 12 O 0.68797320945487 0.75736583396197 0.34279907571974 15.999 *13 O 0.87638776453484 0.12361223546516 0.75000000000000 15.999 14 O 0.12361223546516 0.87638776453484 0.25000000000000 15.999 *15 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 16 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 *17 Se 0.41643339496469 0.58356660503531 0.75000000000000 78.960 18 Se 0.58356660503531 0.41643339496469 0.25000000000000 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.891230290101108 0.000000000000000 0.000000000000000 b 0.000000000000000 8.148780309999999 0.000000000000000 c -3.381969279130689 0.000000000000000 6.830141659871767 Atomic positions (fractional): *1 H 0.08710292912249 0.94961179099880 0.20354623228251 1.008 > 1 2 H 0.91289707087751 0.94961179099880 0.29645376771749 1.008 > 2 3 H 0.91289707087751 0.05038820900120 0.79645376771749 1.008 > 3 4 H 0.08710292912249 0.05038820900120 0.70354623228251 1.008 > 4 5 H 0.58710292912249 0.44961179099880 0.20354623228251 1.008 > 1 6 H 0.41289707087750 0.44961179099880 0.29645376771749 1.008 > 2 7 H 0.41289707087750 0.55038820900120 0.79645376771749 1.008 > 3 8 H 0.58710292912249 0.55038820900120 0.70354623228251 1.008 > 4 *9 O 0.50644784960518 0.19738573729104 0.57261783154328 15.999 > 5 10 O 0.49355215039482 0.19738573729104 0.92738216845672 15.999 > 6 11 O 0.49355215039482 0.80261426270896 0.42738216845672 15.999 > 7 12 O 0.50644784960518 0.80261426270896 0.07261783154328 15.999 > 8 *13 O 0.72266952170842 0.96530368774645 0.84279907571974 15.999 > 9 14 O 0.27733047829158 0.96530368774645 0.65720092428026 15.999 > 10 15 O 0.27733047829158 0.03469631225355 0.15720092428026 15.999 > 11 16 O 0.72266952170842 0.03469631225355 0.34279907571974 15.999 > 12 *17 O 0.50000000000000 0.62361223546516 0.75000000000000 15.999 > 13 18 O 0.50000000000000 0.37638776453484 0.25000000000000 15.999 > 14 19 O 0.00644784960518 0.69738573729104 0.57261783154328 15.999 > 5 20 O 0.99355215039482 0.69738573729104 0.92738216845672 15.999 > 6 21 O 0.99355215039482 0.30261426270896 0.42738216845672 15.999 > 7 22 O 0.00644784960518 0.30261426270896 0.07261783154328 15.999 > 8 23 O 0.22266952170842 0.46530368774645 0.84279907571974 15.999 > 9 24 O 0.77733047829158 0.46530368774645 0.65720092428026 15.999 > 10 25 O 0.77733047829158 0.53469631225355 0.15720092428026 15.999 > 11 26 O 0.22266952170842 0.53469631225355 0.34279907571974 15.999 > 12 27 O 0.00000000000000 0.12361223546516 0.75000000000000 15.999 > 13 28 O 0.00000000000000 0.87638776453484 0.25000000000000 15.999 > 14 *29 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 > 15 30 Zn 0.75000000000000 0.25000000000000 0.50000000000000 65.380 > 16 31 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 > 15 32 Zn 0.25000000000000 0.75000000000000 0.50000000000000 65.380 > 16 *33 Se 0.50000000000000 0.08356660503531 0.75000000000000 78.960 > 17 34 Se 0.50000000000000 0.91643339496469 0.25000000000000 78.960 > 18 35 Se 0.00000000000000 0.58356660503531 0.75000000000000 78.960 > 17 36 Se 0.00000000000000 0.41643339496469 0.25000000000000 78.960 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.782460580202216 0.000000000000000 0.000000000000000 b 0.000000000000000 8.148780309999999 0.000000000000000 c -6.763938558261378 0.000000000000000 13.660283319743534 Atomic positions (fractional): *1 H 0.04355146456125 0.94961179099880 0.10177311614125 1.008 > 1 2 H 0.54355146456125 0.94961179099880 0.10177311614125 1.008 > 1 3 H 0.04355146456125 0.94961179099880 0.60177311614125 1.008 > 1 4 H 0.54355146456125 0.94961179099880 0.60177311614125 1.008 > 1 5 H 0.45644853543875 0.94961179099880 0.14822688385875 1.008 > 2 6 H 0.95644853543875 0.94961179099880 0.14822688385875 1.008 > 2 7 H 0.45644853543875 0.94961179099880 0.64822688385875 1.008 > 2 8 H 0.95644853543875 0.94961179099880 0.64822688385875 1.008 > 2 9 H 0.45644853543875 0.05038820900120 0.39822688385875 1.008 > 3 10 H 0.95644853543875 0.05038820900120 0.39822688385875 1.008 > 3 11 H 0.45644853543875 0.05038820900120 0.89822688385875 1.008 > 3 12 H 0.95644853543875 0.05038820900120 0.89822688385875 1.008 > 3 13 H 0.04355146456125 0.05038820900120 0.35177311614125 1.008 > 4 14 H 0.54355146456125 0.05038820900120 0.35177311614125 1.008 > 4 15 H 0.04355146456125 0.05038820900120 0.85177311614125 1.008 > 4 16 H 0.54355146456125 0.05038820900120 0.85177311614125 1.008 > 4 17 H 0.29355146456125 0.44961179099880 0.10177311614125 1.008 > 1 18 H 0.79355146456125 0.44961179099880 0.10177311614125 1.008 > 1 19 H 0.29355146456125 0.44961179099880 0.60177311614125 1.008 > 1 20 H 0.79355146456125 0.44961179099880 0.60177311614125 1.008 > 1 21 H 0.20644853543875 0.44961179099880 0.14822688385875 1.008 > 2 22 H 0.70644853543875 0.44961179099880 0.14822688385875 1.008 > 2 23 H 0.20644853543875 0.44961179099880 0.64822688385875 1.008 > 2 24 H 0.70644853543875 0.44961179099880 0.64822688385875 1.008 > 2 25 H 0.20644853543875 0.55038820900120 0.39822688385875 1.008 > 3 26 H 0.70644853543875 0.55038820900120 0.39822688385875 1.008 > 3 27 H 0.20644853543875 0.55038820900120 0.89822688385875 1.008 > 3 28 H 0.70644853543875 0.55038820900120 0.89822688385875 1.008 > 3 29 H 0.29355146456125 0.55038820900120 0.35177311614125 1.008 > 4 30 H 0.79355146456125 0.55038820900120 0.35177311614125 1.008 > 4 31 H 0.29355146456125 0.55038820900120 0.85177311614125 1.008 > 4 32 H 0.79355146456125 0.55038820900120 0.85177311614125 1.008 > 4 *33 O 0.25322392480259 0.19738573729104 0.28630891577164 15.999 > 5 34 O 0.75322392480259 0.19738573729104 0.28630891577164 15.999 > 5 35 O 0.25322392480259 0.19738573729104 0.78630891577164 15.999 > 5 36 O 0.75322392480259 0.19738573729104 0.78630891577164 15.999 > 5 37 O 0.24677607519741 0.19738573729104 0.46369108422836 15.999 > 6 38 O 0.74677607519741 0.19738573729104 0.46369108422836 15.999 > 6 39 O 0.24677607519741 0.19738573729104 0.96369108422836 15.999 > 6 40 O 0.74677607519741 0.19738573729104 0.96369108422836 15.999 > 6 41 O 0.24677607519741 0.80261426270896 0.21369108422836 15.999 > 7 42 O 0.74677607519741 0.80261426270896 0.21369108422836 15.999 > 7 43 O 0.24677607519741 0.80261426270896 0.71369108422836 15.999 > 7 44 O 0.74677607519741 0.80261426270896 0.71369108422836 15.999 > 7 45 O 0.25322392480259 0.80261426270896 0.03630891577164 15.999 > 8 46 O 0.75322392480259 0.80261426270896 0.03630891577164 15.999 > 8 47 O 0.25322392480259 0.80261426270896 0.53630891577164 15.999 > 8 48 O 0.75322392480259 0.80261426270896 0.53630891577164 15.999 > 8 *49 O 0.36133476085421 0.96530368774645 0.42139953785987 15.999 > 9 50 O 0.86133476085421 0.96530368774645 0.42139953785987 15.999 > 9 51 O 0.36133476085421 0.96530368774645 0.92139953785987 15.999 > 9 52 O 0.86133476085421 0.96530368774645 0.92139953785987 15.999 > 9 53 O 0.13866523914579 0.96530368774645 0.32860046214013 15.999 > 10 54 O 0.63866523914579 0.96530368774645 0.32860046214013 15.999 > 10 55 O 0.13866523914579 0.96530368774645 0.82860046214013 15.999 > 10 56 O 0.63866523914579 0.96530368774645 0.82860046214013 15.999 > 10 57 O 0.13866523914579 0.03469631225355 0.07860046214013 15.999 > 11 58 O 0.63866523914579 0.03469631225355 0.07860046214013 15.999 > 11 59 O 0.13866523914579 0.03469631225355 0.57860046214013 15.999 > 11 60 O 0.63866523914579 0.03469631225355 0.57860046214013 15.999 > 11 61 O 0.36133476085421 0.03469631225355 0.17139953785987 15.999 > 12 62 O 0.86133476085421 0.03469631225355 0.17139953785987 15.999 > 12 63 O 0.36133476085421 0.03469631225355 0.67139953785987 15.999 > 12 64 O 0.86133476085421 0.03469631225355 0.67139953785987 15.999 > 12 *65 O 0.25000000000000 0.62361223546516 0.37500000000000 15.999 > 13 66 O 0.75000000000000 0.62361223546516 0.37500000000000 15.999 > 13 67 O 0.25000000000000 0.62361223546516 0.87500000000000 15.999 > 13 68 O 0.75000000000000 0.62361223546516 0.87500000000000 15.999 > 13 69 O 0.25000000000000 0.37638776453484 0.12500000000000 15.999 > 14 70 O 0.75000000000000 0.37638776453484 0.12500000000000 15.999 > 14 71 O 0.25000000000000 0.37638776453484 0.62500000000000 15.999 > 14 72 O 0.75000000000000 0.37638776453484 0.62500000000000 15.999 > 14 73 O 0.00322392480259 0.69738573729104 0.28630891577164 15.999 > 5 74 O 0.50322392480259 0.69738573729104 0.28630891577164 15.999 > 5 75 O 0.00322392480259 0.69738573729104 0.78630891577164 15.999 > 5 76 O 0.50322392480259 0.69738573729104 0.78630891577164 15.999 > 5 77 O 0.49677607519741 0.69738573729104 0.46369108422836 15.999 > 6 78 O 0.99677607519741 0.69738573729104 0.46369108422836 15.999 > 6 79 O 0.49677607519741 0.69738573729104 0.96369108422836 15.999 > 6 80 O 0.99677607519741 0.69738573729104 0.96369108422836 15.999 > 6 81 O 0.49677607519741 0.30261426270896 0.21369108422836 15.999 > 7 82 O 0.99677607519741 0.30261426270896 0.21369108422836 15.999 > 7 83 O 0.49677607519741 0.30261426270896 0.71369108422836 15.999 > 7 84 O 0.99677607519741 0.30261426270896 0.71369108422836 15.999 > 7 85 O 0.00322392480259 0.30261426270896 0.03630891577164 15.999 > 8 86 O 0.50322392480259 0.30261426270896 0.03630891577164 15.999 > 8 87 O 0.00322392480259 0.30261426270896 0.53630891577164 15.999 > 8 88 O 0.50322392480259 0.30261426270896 0.53630891577164 15.999 > 8 89 O 0.11133476085421 0.46530368774645 0.42139953785987 15.999 > 9 90 O 0.61133476085421 0.46530368774645 0.42139953785987 15.999 > 9 91 O 0.11133476085421 0.46530368774645 0.92139953785987 15.999 > 9 92 O 0.61133476085421 0.46530368774645 0.92139953785987 15.999 > 9 93 O 0.38866523914579 0.46530368774645 0.32860046214013 15.999 > 10 94 O 0.88866523914579 0.46530368774645 0.32860046214013 15.999 > 10 95 O 0.38866523914579 0.46530368774645 0.82860046214013 15.999 > 10 96 O 0.88866523914579 0.46530368774645 0.82860046214013 15.999 > 10 97 O 0.38866523914579 0.53469631225355 0.07860046214013 15.999 > 11 98 O 0.88866523914579 0.53469631225355 0.07860046214013 15.999 > 11 99 O 0.38866523914579 0.53469631225355 0.57860046214013 15.999 > 11 100 O 0.88866523914579 0.53469631225355 0.57860046214013 15.999 > 11 101 O 0.11133476085421 0.53469631225355 0.17139953785987 15.999 > 12 102 O 0.61133476085421 0.53469631225355 0.17139953785987 15.999 > 12 103 O 0.11133476085421 0.53469631225355 0.67139953785987 15.999 > 12 104 O 0.61133476085421 0.53469631225355 0.67139953785987 15.999 > 12 105 O 0.00000000000000 0.12361223546516 0.37500000000000 15.999 > 13 106 O 0.50000000000000 0.12361223546516 0.37500000000000 15.999 > 13 107 O 0.00000000000000 0.12361223546516 0.87500000000000 15.999 > 13 108 O 0.50000000000000 0.12361223546516 0.87500000000000 15.999 > 13 109 O 0.00000000000000 0.87638776453484 0.12500000000000 15.999 > 14 110 O 0.50000000000000 0.87638776453484 0.12500000000000 15.999 > 14 111 O 0.00000000000000 0.87638776453484 0.62500000000000 15.999 > 14 112 O 0.50000000000000 0.87638776453484 0.62500000000000 15.999 > 14 *113 Zn 0.37500000000000 0.75000000000000 0.00000000000000 65.380 > 15 114 Zn 0.87500000000000 0.75000000000000 0.00000000000000 65.380 > 15 115 Zn 0.37500000000000 0.75000000000000 0.50000000000000 65.380 > 15 116 Zn 0.87500000000000 0.75000000000000 0.50000000000000 65.380 > 15 117 Zn 0.37500000000000 0.25000000000000 0.25000000000000 65.380 > 16 118 Zn 0.87500000000000 0.25000000000000 0.25000000000000 65.380 > 16 119 Zn 0.37500000000000 0.25000000000000 0.75000000000000 65.380 > 16 120 Zn 0.87500000000000 0.25000000000000 0.75000000000000 65.380 > 16 121 Zn 0.12500000000000 0.25000000000000 0.00000000000000 65.380 > 15 122 Zn 0.62500000000000 0.25000000000000 0.00000000000000 65.380 > 15 123 Zn 0.12500000000000 0.25000000000000 0.50000000000000 65.380 > 15 124 Zn 0.62500000000000 0.25000000000000 0.50000000000000 65.380 > 15 125 Zn 0.12500000000000 0.75000000000000 0.25000000000000 65.380 > 16 126 Zn 0.62500000000000 0.75000000000000 0.25000000000000 65.380 > 16 127 Zn 0.12500000000000 0.75000000000000 0.75000000000000 65.380 > 16 128 Zn 0.62500000000000 0.75000000000000 0.75000000000000 65.380 > 16 *129 Se 0.25000000000000 0.08356660503531 0.37500000000000 78.960 > 17 130 Se 0.75000000000000 0.08356660503531 0.37500000000000 78.960 > 17 131 Se 0.25000000000000 0.08356660503531 0.87500000000000 78.960 > 17 132 Se 0.75000000000000 0.08356660503531 0.87500000000000 78.960 > 17 133 Se 0.25000000000000 0.91643339496469 0.12500000000000 78.960 > 18 134 Se 0.75000000000000 0.91643339496469 0.12500000000000 78.960 > 18 135 Se 0.25000000000000 0.91643339496469 0.62500000000000 78.960 > 18 136 Se 0.75000000000000 0.91643339496469 0.62500000000000 78.960 > 18 137 Se 0.00000000000000 0.58356660503531 0.37500000000000 78.960 > 17 138 Se 0.50000000000000 0.58356660503531 0.37500000000000 78.960 > 17 139 Se 0.00000000000000 0.58356660503531 0.87500000000000 78.960 > 17 140 Se 0.50000000000000 0.58356660503531 0.87500000000000 78.960 > 17 141 Se 0.00000000000000 0.41643339496469 0.12500000000000 78.960 > 18 142 Se 0.50000000000000 0.41643339496469 0.12500000000000 78.960 > 18 143 Se 0.00000000000000 0.41643339496469 0.62500000000000 78.960 > 18 144 Se 0.50000000000000 0.41643339496469 0.62500000000000 78.960 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4136690 0.0000000 -0.1707832 0.0000000 3.1858695 0.0000000 -0.1707833 0.0000000 3.1282661 -------------------------- Born effective charges -------------------------- 1 H 1.4028585 0.5510698 -0.2371645 0.3669610 0.4547361 -0.0889893 -0.1299657 -0.0207921 0.3833283 2 H 1.4028585 -0.5510698 -0.2371645 -0.3669610 0.4547361 0.0889893 -0.1299657 0.0207921 0.3833283 3 H 1.4028585 0.5510698 -0.2371645 0.3669610 0.4547361 -0.0889893 -0.1299657 -0.0207921 0.3833283 4 H 1.4028585 -0.5510698 -0.2371645 -0.3669610 0.4547361 0.0889893 -0.1299657 0.0207921 0.3833283 5 O -1.5102469 -0.4279123 0.6404042 -0.3943786 -1.3034301 0.4819787 0.4513755 0.3863484 -1.4659014 6 O -1.5102469 0.4279123 0.6404042 0.3943786 -1.3034301 -0.4819787 0.4513755 -0.3863484 -1.4659014 7 O -1.5102469 -0.4279123 0.6404042 -0.3943786 -1.3034301 0.4819787 0.4513755 0.3863484 -1.4659014 8 O -1.5102469 0.4279123 0.6404042 0.3943786 -1.3034301 -0.4819787 0.4513755 -0.3863484 -1.4659014 9 O -1.8557171 0.2467909 -0.1337665 0.2437313 -1.5011236 0.4504016 -0.1739147 0.4381031 -1.1931700 10 O -1.8557171 -0.2467909 -0.1337665 -0.2437313 -1.5011236 -0.4504016 -0.1739147 -0.4381031 -1.1931700 11 O -1.8557171 0.2467909 -0.1337665 0.2437313 -1.5011236 0.4504016 -0.1739147 0.4381031 -1.1931700 12 O -1.8557171 -0.2467909 -0.1337665 -0.2437313 -1.5011236 -0.4504016 -0.1739147 -0.4381031 -1.1931700 13 O -1.9572967 0.0000000 0.0565547 0.0000000 -1.0139433 0.0000000 -0.0154310 0.0000000 -1.3368025 14 O -1.9572967 0.0000000 0.0565547 0.0000000 -1.0139433 0.0000000 -0.0154310 0.0000000 -1.3368025 15 Zn 2.3976652 -0.3959377 0.1302895 -0.4238955 2.6220074 -0.1964795 -0.4894549 -0.0609524 2.5039645 16 Zn 2.3976652 0.3959377 0.1302895 0.4238955 2.6220074 0.1964795 -0.4894549 0.0609524 2.5039645 17 Se 3.4858424 0.0000000 -0.7257906 0.0000000 3.0915712 0.0000000 0.2098957 0.0000000 3.3843244 18 Se 3.4858424 0.0000000 -0.7257906 0.0000000 3.0915712 0.0000000 0.2098957 0.0000000 3.3843244 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 14112/14112 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3064 Number of blocks in projector: 3064 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 658 / 658 (1) 151 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 642 / 642 (1) 136 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 642 / 642 (1) 136 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 374 Use standard eigh solver. Tree of FC basis block matrices: - (3064, 3019), data: False |-- (374, 368), data: True |-- (374, 368), data: True |-- (374, 368), data: True |-- (642, 634), data: False |-- (642, 6), data: (642, 14) @ (14, 6) |-- (142, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (642, 634), data: False |-- (642, 6), data: (642, 14) @ (14, 6) |-- (142, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (658, 647), data: False |-- (658, 7), data: (658, 18) @ (18, 7) |-- (158, 151), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 560 - Time: 2.604 Solver_block: 200 / 560 - Time: 1.369 Solver_block: 300 / 560 - Time: 1.810 Solver_block: 400 / 560 - Time: 2.076 Solver_block: 500 / 560 - Time: 2.025 Solver_block: 560 / 560 - Time: 1.121 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.537 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14112/14112 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3064 Number of blocks in projector: 3064 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 658 / 658 (1) 151 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 642 / 642 (1) 136 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 642 / 642 (1) 136 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 374 Use standard eigh solver. Tree of FC basis block matrices: - (3064, 3019), data: False |-- (374, 368), data: True |-- (374, 368), data: True |-- (374, 368), data: True |-- (642, 634), data: False |-- (642, 6), data: (642, 14) @ (14, 6) |-- (142, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (642, 634), data: False |-- (642, 6), data: (642, 14) @ (14, 6) |-- (142, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (658, 647), data: False |-- (658, 7), data: (658, 18) @ (18, 7) |-- (158, 151), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True Max 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 05:43:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:43:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.445615145050554 -4.074390155000000 0.000000000000000 b 3.445615145050554 4.074390155000000 0.000000000000000 c -3.381969279130689 0.000000000000000 6.830141659871767 Atomic positions (fractional): 1 H 0.13749113812369 0.03671472012130 0.20354623228251 1.008 2 H 0.96328527987870 0.86250886187631 0.29645376771749 1.008 3 H 0.86250886187631 0.96328527987870 0.79645376771749 1.008 4 H 0.03671472012130 0.13749113812369 0.70354623228251 1.008 5 O 0.30906211231415 0.70383358689622 0.57261783154328 15.999 6 O 0.29616641310378 0.69093788768585 0.92738216845672 15.999 7 O 0.69093788768585 0.29616641310378 0.42738216845672 15.999 8 O 0.70383358689622 0.30906211231415 0.07261783154328 15.999 9 O 0.75736583396197 0.68797320945487 0.84279907571974 15.999 10 O 0.31202679054513 0.24263416603803 0.65720092428026 15.999 11 O 0.24263416603803 0.31202679054513 0.15720092428026 15.999 12 O 0.68797320945487 0.75736583396197 0.34279907571974 15.999 13 O 0.87638776453484 0.12361223546516 0.75000000000000 15.999 14 O 0.12361223546516 0.87638776453484 0.25000000000000 15.999 15 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 16 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 17 Se 0.41643339496469 0.58356660503531 0.75000000000000 78.960 18 Se 0.58356660503531 0.41643339496469 0.25000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.782460580202216 0.000000000000000 0.000000000000000 b 0.000000000000000 8.148780309999999 0.000000000000000 c -6.763938558261378 0.000000000000000 13.660283319743534 Atomic positions (fractional): 1 H 0.04355146456125 0.94961179099880 0.10177311614125 1.008 > 1 2 H 0.54355146456125 0.94961179099880 0.10177311614125 1.008 > 1 3 H 0.04355146456125 0.94961179099880 0.60177311614125 1.008 > 1 4 H 0.54355146456125 0.94961179099880 0.60177311614125 1.008 > 1 5 H 0.45644853543875 0.94961179099880 0.14822688385875 1.008 > 5 6 H 0.95644853543875 0.94961179099880 0.14822688385875 1.008 > 5 7 H 0.45644853543875 0.94961179099880 0.64822688385875 1.008 > 5 8 H 0.95644853543875 0.94961179099880 0.64822688385875 1.008 > 5 9 H 0.45644853543875 0.05038820900120 0.39822688385875 1.008 > 9 10 H 0.95644853543875 0.05038820900120 0.39822688385875 1.008 > 9 11 H 0.45644853543875 0.05038820900120 0.89822688385875 1.008 > 9 12 H 0.95644853543875 0.05038820900120 0.89822688385875 1.008 > 9 13 H 0.04355146456125 0.05038820900120 0.35177311614125 1.008 > 13 14 H 0.54355146456125 0.05038820900120 0.35177311614125 1.008 > 13 15 H 0.04355146456125 0.05038820900120 0.85177311614125 1.008 > 13 16 H 0.54355146456125 0.05038820900120 0.85177311614125 1.008 > 13 17 H 0.29355146456125 0.44961179099880 0.10177311614125 1.008 > 1 18 H 0.79355146456125 0.44961179099880 0.10177311614125 1.008 > 1 19 H 0.29355146456125 0.44961179099880 0.60177311614125 1.008 > 1 20 H 0.79355146456125 0.44961179099880 0.60177311614125 1.008 > 1 21 H 0.20644853543875 0.44961179099880 0.14822688385875 1.008 > 5 22 H 0.70644853543875 0.44961179099880 0.14822688385875 1.008 > 5 23 H 0.20644853543875 0.44961179099880 0.64822688385875 1.008 > 5 24 H 0.70644853543875 0.44961179099880 0.64822688385875 1.008 > 5 25 H 0.20644853543875 0.55038820900120 0.39822688385875 1.008 > 9 26 H 0.70644853543875 0.55038820900120 0.39822688385875 1.008 > 9 27 H 0.20644853543875 0.55038820900120 0.89822688385875 1.008 > 9 28 H 0.70644853543875 0.55038820900120 0.89822688385875 1.008 > 9 29 H 0.29355146456125 0.55038820900120 0.35177311614125 1.008 > 13 30 H 0.79355146456125 0.55038820900120 0.35177311614125 1.008 > 13 31 H 0.29355146456125 0.55038820900120 0.85177311614125 1.008 > 13 32 H 0.79355146456125 0.55038820900120 0.85177311614125 1.008 > 13 33 O 0.25322392480259 0.19738573729104 0.28630891577164 15.999 > 33 34 O 0.75322392480259 0.19738573729104 0.28630891577164 15.999 > 33 35 O 0.25322392480259 0.19738573729104 0.78630891577164 15.999 > 33 36 O 0.75322392480259 0.19738573729104 0.78630891577164 15.999 > 33 37 O 0.24677607519741 0.19738573729104 0.46369108422836 15.999 > 37 38 O 0.74677607519741 0.19738573729104 0.46369108422836 15.999 > 37 39 O 0.24677607519741 0.19738573729104 0.96369108422836 15.999 > 37 40 O 0.74677607519741 0.19738573729104 0.96369108422836 15.999 > 37 41 O 0.24677607519741 0.80261426270896 0.21369108422836 15.999 > 41 42 O 0.74677607519741 0.80261426270896 0.21369108422836 15.999 > 41 43 O 0.24677607519741 0.80261426270896 0.71369108422836 15.999 > 41 44 O 0.74677607519741 0.80261426270896 0.71369108422836 15.999 > 41 45 O 0.25322392480259 0.80261426270896 0.03630891577164 15.999 > 45 46 O 0.75322392480259 0.80261426270896 0.03630891577164 15.999 > 45 47 O 0.25322392480259 0.80261426270896 0.53630891577164 15.999 > 45 48 O 0.75322392480259 0.80261426270896 0.53630891577164 15.999 > 45 49 O 0.36133476085421 0.96530368774645 0.42139953785987 15.999 > 49 50 O 0.86133476085421 0.96530368774645 0.42139953785987 15.999 > 49 51 O 0.36133476085421 0.96530368774645 0.92139953785987 15.999 > 49 52 O 0.86133476085421 0.96530368774645 0.92139953785987 15.999 > 49 53 O 0.13866523914579 0.96530368774645 0.32860046214013 15.999 > 53 54 O 0.63866523914579 0.96530368774645 0.32860046214013 15.999 > 53 55 O 0.13866523914579 0.96530368774645 0.82860046214013 15.999 > 53 56 O 0.63866523914579 0.96530368774645 0.82860046214013 15.999 > 53 57 O 0.13866523914579 0.03469631225355 0.07860046214013 15.999 > 57 58 O 0.63866523914579 0.03469631225355 0.07860046214013 15.999 > 57 59 O 0.13866523914579 0.03469631225355 0.57860046214013 15.999 > 57 60 O 0.63866523914579 0.03469631225355 0.57860046214013 15.999 > 57 61 O 0.36133476085421 0.03469631225355 0.17139953785987 15.999 > 61 62 O 0.86133476085421 0.03469631225355 0.17139953785987 15.999 > 61 63 O 0.36133476085421 0.03469631225355 0.67139953785987 15.999 > 61 64 O 0.86133476085421 0.03469631225355 0.67139953785987 15.999 > 61 65 O 0.25000000000000 0.62361223546516 0.37500000000000 15.999 > 65 66 O 0.75000000000000 0.62361223546516 0.37500000000000 15.999 > 65 67 O 0.25000000000000 0.62361223546516 0.87500000000000 15.999 > 65 68 O 0.75000000000000 0.62361223546516 0.87500000000000 15.999 > 65 69 O 0.25000000000000 0.37638776453484 0.12500000000000 15.999 > 69 70 O 0.75000000000000 0.37638776453484 0.12500000000000 15.999 > 69 71 O 0.25000000000000 0.37638776453484 0.62500000000000 15.999 > 69 72 O 0.75000000000000 0.37638776453484 0.62500000000000 15.999 > 69 73 O 0.00322392480259 0.69738573729104 0.28630891577164 15.999 > 33 74 O 0.50322392480259 0.69738573729104 0.28630891577164 15.999 > 33 75 O 0.00322392480259 0.69738573729104 0.78630891577164 15.999 > 33 76 O 0.50322392480259 0.69738573729104 0.78630891577164 15.999 > 33 77 O 0.49677607519741 0.69738573729104 0.46369108422836 15.999 > 37 78 O 0.99677607519741 0.69738573729104 0.46369108422836 15.999 > 37 79 O 0.49677607519741 0.69738573729104 0.96369108422836 15.999 > 37 80 O 0.99677607519741 0.69738573729104 0.96369108422836 15.999 > 37 81 O 0.49677607519741 0.30261426270896 0.21369108422836 15.999 > 41 82 O 0.99677607519741 0.30261426270896 0.21369108422836 15.999 > 41 83 O 0.49677607519741 0.30261426270896 0.71369108422836 15.999 > 41 84 O 0.99677607519741 0.30261426270896 0.71369108422836 15.999 > 41 85 O 0.00322392480259 0.30261426270896 0.03630891577164 15.999 > 45 86 O 0.50322392480259 0.30261426270896 0.03630891577164 15.999 > 45 87 O 0.00322392480259 0.30261426270896 0.53630891577164 15.999 > 45 88 O 0.50322392480259 0.30261426270896 0.53630891577164 15.999 > 45 89 O 0.11133476085421 0.46530368774645 0.42139953785987 15.999 > 49 90 O 0.61133476085421 0.46530368774645 0.42139953785987 15.999 > 49 91 O 0.11133476085421 0.46530368774645 0.92139953785987 15.999 > 49 92 O 0.61133476085421 0.46530368774645 0.92139953785987 15.999 > 49 93 O 0.38866523914579 0.46530368774645 0.32860046214013 15.999 > 53 94 O 0.88866523914579 0.46530368774645 0.32860046214013 15.999 > 53 95 O 0.38866523914579 0.46530368774645 0.82860046214013 15.999 > 53 96 O 0.88866523914579 0.46530368774645 0.82860046214013 15.999 > 53 97 O 0.38866523914579 0.53469631225355 0.07860046214013 15.999 > 57 98 O 0.88866523914579 0.53469631225355 0.07860046214013 15.999 > 57 99 O 0.38866523914579 0.53469631225355 0.57860046214013 15.999 > 57 100 O 0.88866523914579 0.53469631225355 0.57860046214013 15.999 > 57 101 O 0.11133476085421 0.53469631225355 0.17139953785987 15.999 > 61 102 O 0.61133476085421 0.53469631225355 0.17139953785987 15.999 > 61 103 O 0.11133476085421 0.53469631225355 0.67139953785987 15.999 > 61 104 O 0.61133476085421 0.53469631225355 0.67139953785987 15.999 > 61 105 O 0.00000000000000 0.12361223546516 0.37500000000000 15.999 > 65 106 O 0.50000000000000 0.12361223546516 0.37500000000000 15.999 > 65 107 O 0.00000000000000 0.12361223546516 0.87500000000000 15.999 > 65 108 O 0.50000000000000 0.12361223546516 0.87500000000000 15.999 > 65 109 O 0.00000000000000 0.87638776453484 0.12500000000000 15.999 > 69 110 O 0.50000000000000 0.87638776453484 0.12500000000000 15.999 > 69 111 O 0.00000000000000 0.87638776453484 0.62500000000000 15.999 > 69 112 O 0.50000000000000 0.87638776453484 0.62500000000000 15.999 > 69 113 Zn 0.37500000000000 0.75000000000000 0.00000000000000 65.380 > 113 114 Zn 0.87500000000000 0.75000000000000 0.00000000000000 65.380 > 113 115 Zn 0.37500000000000 0.75000000000000 0.50000000000000 65.380 > 113 116 Zn 0.87500000000000 0.75000000000000 0.50000000000000 65.380 > 113 117 Zn 0.37500000000000 0.25000000000000 0.25000000000000 65.380 > 117 118 Zn 0.87500000000000 0.25000000000000 0.25000000000000 65.380 > 117 119 Zn 0.37500000000000 0.25000000000000 0.75000000000000 65.380 > 117 120 Zn 0.87500000000000 0.25000000000000 0.75000000000000 65.380 > 117 121 Zn 0.12500000000000 0.25000000000000 0.00000000000000 65.380 > 113 122 Zn 0.62500000000000 0.25000000000000 0.00000000000000 65.380 > 113 123 Zn 0.12500000000000 0.25000000000000 0.50000000000000 65.380 > 113 124 Zn 0.62500000000000 0.25000000000000 0.50000000000000 65.380 > 113 125 Zn 0.12500000000000 0.75000000000000 0.25000000000000 65.380 > 117 126 Zn 0.62500000000000 0.75000000000000 0.25000000000000 65.380 > 117 127 Zn 0.12500000000000 0.75000000000000 0.75000000000000 65.380 > 117 128 Zn 0.62500000000000 0.75000000000000 0.75000000000000 65.380 > 117 129 Se 0.25000000000000 0.08356660503531 0.37500000000000 78.960 > 129 130 Se 0.75000000000000 0.08356660503531 0.37500000000000 78.960 > 129 131 Se 0.25000000000000 0.08356660503531 0.87500000000000 78.960 > 129 132 Se 0.75000000000000 0.08356660503531 0.87500000000000 78.960 > 129 133 Se 0.25000000000000 0.91643339496469 0.12500000000000 78.960 > 133 134 Se 0.75000000000000 0.91643339496469 0.12500000000000 78.960 > 133 135 Se 0.25000000000000 0.91643339496469 0.62500000000000 78.960 > 133 136 Se 0.75000000000000 0.91643339496469 0.62500000000000 78.960 > 133 137 Se 0.00000000000000 0.58356660503531 0.37500000000000 78.960 > 129 138 Se 0.50000000000000 0.58356660503531 0.37500000000000 78.960 > 129 139 Se 0.00000000000000 0.58356660503531 0.87500000000000 78.960 > 129 140 Se 0.50000000000000 0.58356660503531 0.87500000000000 78.960 > 129 141 Se 0.00000000000000 0.41643339496469 0.12500000000000 78.960 > 133 142 Se 0.50000000000000 0.41643339496469 0.12500000000000 78.960 > 133 143 Se 0.00000000000000 0.41643339496469 0.62500000000000 78.960 > 133 144 Se 0.50000000000000 0.41643339496469 0.62500000000000 78.960 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4136690 0.0000000 -0.1707832 0.0000000 3.1858695 0.0000000 -0.1707833 0.0000000 3.1282661 -------------------------- Born effective charges -------------------------- 1 H 1.4028585 0.5510698 -0.2371645 0.3669610 0.4547361 -0.0889893 -0.1299657 -0.0207921 0.3833283 2 H 1.4028585 -0.5510698 -0.2371645 -0.3669610 0.4547361 0.0889893 -0.1299657 0.0207921 0.3833283 3 H 1.4028585 0.5510698 -0.2371645 0.3669610 0.4547361 -0.0889893 -0.1299657 -0.0207921 0.3833283 4 H 1.4028585 -0.5510698 -0.2371645 -0.3669610 0.4547361 0.0889893 -0.1299657 0.0207921 0.3833283 5 O -1.5102469 -0.4279123 0.6404042 -0.3943786 -1.3034301 0.4819787 0.4513755 0.3863484 -1.4659014 6 O -1.5102469 0.4279123 0.6404042 0.3943786 -1.3034301 -0.4819787 0.4513755 -0.3863484 -1.4659014 7 O -1.5102469 -0.4279123 0.6404042 -0.3943786 -1.3034301 0.4819787 0.4513755 0.3863484 -1.4659014 8 O -1.5102469 0.4279123 0.6404042 0.3943786 -1.3034301 -0.4819787 0.4513755 -0.3863484 -1.4659014 9 O -1.8557171 0.2467909 -0.1337665 0.2437313 -1.5011236 0.4504016 -0.1739147 0.4381031 -1.1931700 10 O -1.8557171 -0.2467909 -0.1337665 -0.2437313 -1.5011236 -0.4504016 -0.1739147 -0.4381031 -1.1931700 11 O -1.8557171 0.2467909 -0.1337665 0.2437313 -1.5011236 0.4504016 -0.1739147 0.4381031 -1.1931700 12 O -1.8557171 -0.2467909 -0.1337665 -0.2437313 -1.5011236 -0.4504016 -0.1739147 -0.4381031 -1.1931700 13 O -1.9572967 0.0000000 0.0565547 0.0000000 -1.0139433 0.0000000 -0.0154310 0.0000000 -1.3368025 14 O -1.9572967 0.0000000 0.0565547 0.0000000 -1.0139433 0.0000000 -0.0154310 0.0000000 -1.3368025 15 Zn 2.3976652 -0.3959377 0.1302895 -0.4238955 2.6220074 -0.1964795 -0.4894549 -0.0609524 2.5039645 16 Zn 2.3976652 0.3959377 0.1302895 0.4238955 2.6220074 0.1964795 -0.4894549 0.0609524 2.5039645 17 Se 3.4858424 0.0000000 -0.7257906 0.0000000 3.0915712 0.0000000 0.2098957 0.0000000 3.3843244 18 Se 3.4858424 0.0000000 -0.7257906 0.0000000 3.0915712 0.0000000 0.2098957 0.0000000 3.3843244 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 129, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000125 (xyx) 0.00000125 (xyx) 0.00000125 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000306 (xz) -0.00000306 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:44:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:44:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.445615145050554 -4.074390155000000 0.000000000000000 b 3.445615145050554 4.074390155000000 0.000000000000000 c -3.381969279130689 0.000000000000000 6.830141659871767 Atomic positions (fractional): 1 H 0.13749113812369 0.03671472012130 0.20354623228251 1.008 2 H 0.96328527987870 0.86250886187631 0.29645376771749 1.008 3 H 0.86250886187631 0.96328527987870 0.79645376771749 1.008 4 H 0.03671472012130 0.13749113812369 0.70354623228251 1.008 5 O 0.30906211231415 0.70383358689622 0.57261783154328 15.999 6 O 0.29616641310378 0.69093788768585 0.92738216845672 15.999 7 O 0.69093788768585 0.29616641310378 0.42738216845672 15.999 8 O 0.70383358689622 0.30906211231415 0.07261783154328 15.999 9 O 0.75736583396197 0.68797320945487 0.84279907571974 15.999 10 O 0.31202679054513 0.24263416603803 0.65720092428026 15.999 11 O 0.24263416603803 0.31202679054513 0.15720092428026 15.999 12 O 0.68797320945487 0.75736583396197 0.34279907571974 15.999 13 O 0.87638776453484 0.12361223546516 0.75000000000000 15.999 14 O 0.12361223546516 0.87638776453484 0.25000000000000 15.999 15 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 16 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 17 Se 0.41643339496469 0.58356660503531 0.75000000000000 78.960 18 Se 0.58356660503531 0.41643339496469 0.25000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.782460580202216 0.000000000000000 0.000000000000000 b 0.000000000000000 8.148780309999999 0.000000000000000 c -6.763938558261378 0.000000000000000 13.660283319743534 Atomic positions (fractional): 1 H 0.04355146456125 0.94961179099880 0.10177311614125 1.008 > 1 2 H 0.54355146456125 0.94961179099880 0.10177311614125 1.008 > 1 3 H 0.04355146456125 0.94961179099880 0.60177311614125 1.008 > 1 4 H 0.54355146456125 0.94961179099880 0.60177311614125 1.008 > 1 5 H 0.45644853543875 0.94961179099880 0.14822688385875 1.008 > 5 6 H 0.95644853543875 0.94961179099880 0.14822688385875 1.008 > 5 7 H 0.45644853543875 0.94961179099880 0.64822688385875 1.008 > 5 8 H 0.95644853543875 0.94961179099880 0.64822688385875 1.008 > 5 9 H 0.45644853543875 0.05038820900120 0.39822688385875 1.008 > 9 10 H 0.95644853543875 0.05038820900120 0.39822688385875 1.008 > 9 11 H 0.45644853543875 0.05038820900120 0.89822688385875 1.008 > 9 12 H 0.95644853543875 0.05038820900120 0.89822688385875 1.008 > 9 13 H 0.04355146456125 0.05038820900120 0.35177311614125 1.008 > 13 14 H 0.54355146456125 0.05038820900120 0.35177311614125 1.008 > 13 15 H 0.04355146456125 0.05038820900120 0.85177311614125 1.008 > 13 16 H 0.54355146456125 0.05038820900120 0.85177311614125 1.008 > 13 17 H 0.29355146456125 0.44961179099880 0.10177311614125 1.008 > 1 18 H 0.79355146456125 0.44961179099880 0.10177311614125 1.008 > 1 19 H 0.29355146456125 0.44961179099880 0.60177311614125 1.008 > 1 20 H 0.79355146456125 0.44961179099880 0.60177311614125 1.008 > 1 21 H 0.20644853543875 0.44961179099880 0.14822688385875 1.008 > 5 22 H 0.70644853543875 0.44961179099880 0.14822688385875 1.008 > 5 23 H 0.20644853543875 0.44961179099880 0.64822688385875 1.008 > 5 24 H 0.70644853543875 0.44961179099880 0.64822688385875 1.008 > 5 25 H 0.20644853543875 0.55038820900120 0.39822688385875 1.008 > 9 26 H 0.70644853543875 0.55038820900120 0.39822688385875 1.008 > 9 27 H 0.20644853543875 0.55038820900120 0.89822688385875 1.008 > 9 28 H 0.70644853543875 0.55038820900120 0.89822688385875 1.008 > 9 29 H 0.29355146456125 0.55038820900120 0.35177311614125 1.008 > 13 30 H 0.79355146456125 0.55038820900120 0.35177311614125 1.008 > 13 31 H 0.29355146456125 0.55038820900120 0.85177311614125 1.008 > 13 32 H 0.79355146456125 0.55038820900120 0.85177311614125 1.008 > 13 33 O 0.25322392480259 0.19738573729104 0.28630891577164 15.999 > 33 34 O 0.75322392480259 0.19738573729104 0.28630891577164 15.999 > 33 35 O 0.25322392480259 0.19738573729104 0.78630891577164 15.999 > 33 36 O 0.75322392480259 0.19738573729104 0.78630891577164 15.999 > 33 37 O 0.24677607519741 0.19738573729104 0.46369108422836 15.999 > 37 38 O 0.74677607519741 0.19738573729104 0.46369108422836 15.999 > 37 39 O 0.24677607519741 0.19738573729104 0.96369108422836 15.999 > 37 40 O 0.74677607519741 0.19738573729104 0.96369108422836 15.999 > 37 41 O 0.24677607519741 0.80261426270896 0.21369108422836 15.999 > 41 42 O 0.74677607519741 0.80261426270896 0.21369108422836 15.999 > 41 43 O 0.24677607519741 0.80261426270896 0.71369108422836 15.999 > 41 44 O 0.74677607519741 0.80261426270896 0.71369108422836 15.999 > 41 45 O 0.25322392480259 0.80261426270896 0.03630891577164 15.999 > 45 46 O 0.75322392480259 0.80261426270896 0.03630891577164 15.999 > 45 47 O 0.25322392480259 0.80261426270896 0.53630891577164 15.999 > 45 48 O 0.75322392480259 0.80261426270896 0.53630891577164 15.999 > 45 49 O 0.36133476085421 0.96530368774645 0.42139953785987 15.999 > 49 50 O 0.86133476085421 0.96530368774645 0.42139953785987 15.999 > 49 51 O 0.36133476085421 0.96530368774645 0.92139953785987 15.999 > 49 52 O 0.86133476085421 0.96530368774645 0.92139953785987 15.999 > 49 53 O 0.13866523914579 0.96530368774645 0.32860046214013 15.999 > 53 54 O 0.63866523914579 0.96530368774645 0.32860046214013 15.999 > 53 55 O 0.13866523914579 0.96530368774645 0.82860046214013 15.999 > 53 56 O 0.63866523914579 0.96530368774645 0.82860046214013 15.999 > 53 57 O 0.13866523914579 0.03469631225355 0.07860046214013 15.999 > 57 58 O 0.63866523914579 0.03469631225355 0.07860046214013 15.999 > 57 59 O 0.13866523914579 0.03469631225355 0.57860046214013 15.999 > 57 60 O 0.63866523914579 0.03469631225355 0.57860046214013 15.999 > 57 61 O 0.36133476085421 0.03469631225355 0.17139953785987 15.999 > 61 62 O 0.86133476085421 0.03469631225355 0.17139953785987 15.999 > 61 63 O 0.36133476085421 0.03469631225355 0.67139953785987 15.999 > 61 64 O 0.86133476085421 0.03469631225355 0.67139953785987 15.999 > 61 65 O 0.25000000000000 0.62361223546516 0.37500000000000 15.999 > 65 66 O 0.75000000000000 0.62361223546516 0.37500000000000 15.999 > 65 67 O 0.25000000000000 0.62361223546516 0.87500000000000 15.999 > 65 68 O 0.75000000000000 0.62361223546516 0.87500000000000 15.999 > 65 69 O 0.25000000000000 0.37638776453484 0.12500000000000 15.999 > 69 70 O 0.75000000000000 0.37638776453484 0.12500000000000 15.999 > 69 71 O 0.25000000000000 0.37638776453484 0.62500000000000 15.999 > 69 72 O 0.75000000000000 0.37638776453484 0.62500000000000 15.999 > 69 73 O 0.00322392480259 0.69738573729104 0.28630891577164 15.999 > 33 74 O 0.50322392480259 0.69738573729104 0.28630891577164 15.999 > 33 75 O 0.00322392480259 0.69738573729104 0.78630891577164 15.999 > 33 76 O 0.50322392480259 0.69738573729104 0.78630891577164 15.999 > 33 77 O 0.49677607519741 0.69738573729104 0.46369108422836 15.999 > 37 78 O 0.99677607519741 0.69738573729104 0.46369108422836 15.999 > 37 79 O 0.49677607519741 0.69738573729104 0.96369108422836 15.999 > 37 80 O 0.99677607519741 0.69738573729104 0.96369108422836 15.999 > 37 81 O 0.49677607519741 0.30261426270896 0.21369108422836 15.999 > 41 82 O 0.99677607519741 0.30261426270896 0.21369108422836 15.999 > 41 83 O 0.49677607519741 0.30261426270896 0.71369108422836 15.999 > 41 84 O 0.99677607519741 0.30261426270896 0.71369108422836 15.999 > 41 85 O 0.00322392480259 0.30261426270896 0.03630891577164 15.999 > 45 86 O 0.50322392480259 0.30261426270896 0.03630891577164 15.999 > 45 87 O 0.00322392480259 0.30261426270896 0.53630891577164 15.999 > 45 88 O 0.50322392480259 0.30261426270896 0.53630891577164 15.999 > 45 89 O 0.11133476085421 0.46530368774645 0.42139953785987 15.999 > 49 90 O 0.61133476085421 0.46530368774645 0.42139953785987 15.999 > 49 91 O 0.11133476085421 0.46530368774645 0.92139953785987 15.999 > 49 92 O 0.61133476085421 0.46530368774645 0.92139953785987 15.999 > 49 93 O 0.38866523914579 0.46530368774645 0.32860046214013 15.999 > 53 94 O 0.88866523914579 0.46530368774645 0.32860046214013 15.999 > 53 95 O 0.38866523914579 0.46530368774645 0.82860046214013 15.999 > 53 96 O 0.88866523914579 0.46530368774645 0.82860046214013 15.999 > 53 97 O 0.38866523914579 0.53469631225355 0.07860046214013 15.999 > 57 98 O 0.88866523914579 0.53469631225355 0.07860046214013 15.999 > 57 99 O 0.38866523914579 0.53469631225355 0.57860046214013 15.999 > 57 100 O 0.88866523914579 0.53469631225355 0.57860046214013 15.999 > 57 101 O 0.11133476085421 0.53469631225355 0.17139953785987 15.999 > 61 102 O 0.61133476085421 0.53469631225355 0.17139953785987 15.999 > 61 103 O 0.11133476085421 0.53469631225355 0.67139953785987 15.999 > 61 104 O 0.61133476085421 0.53469631225355 0.67139953785987 15.999 > 61 105 O 0.00000000000000 0.12361223546516 0.37500000000000 15.999 > 65 106 O 0.50000000000000 0.12361223546516 0.37500000000000 15.999 > 65 107 O 0.00000000000000 0.12361223546516 0.87500000000000 15.999 > 65 108 O 0.50000000000000 0.12361223546516 0.87500000000000 15.999 > 65 109 O 0.00000000000000 0.87638776453484 0.12500000000000 15.999 > 69 110 O 0.50000000000000 0.87638776453484 0.12500000000000 15.999 > 69 111 O 0.00000000000000 0.87638776453484 0.62500000000000 15.999 > 69 112 O 0.50000000000000 0.87638776453484 0.62500000000000 15.999 > 69 113 Zn 0.37500000000000 0.75000000000000 0.00000000000000 65.380 > 113 114 Zn 0.87500000000000 0.75000000000000 0.00000000000000 65.380 > 113 115 Zn 0.37500000000000 0.75000000000000 0.50000000000000 65.380 > 113 116 Zn 0.87500000000000 0.75000000000000 0.50000000000000 65.380 > 113 117 Zn 0.37500000000000 0.25000000000000 0.25000000000000 65.380 > 117 118 Zn 0.87500000000000 0.25000000000000 0.25000000000000 65.380 > 117 119 Zn 0.37500000000000 0.25000000000000 0.75000000000000 65.380 > 117 120 Zn 0.87500000000000 0.25000000000000 0.75000000000000 65.380 > 117 121 Zn 0.12500000000000 0.25000000000000 0.00000000000000 65.380 > 113 122 Zn 0.62500000000000 0.25000000000000 0.00000000000000 65.380 > 113 123 Zn 0.12500000000000 0.25000000000000 0.50000000000000 65.380 > 113 124 Zn 0.62500000000000 0.25000000000000 0.50000000000000 65.380 > 113 125 Zn 0.12500000000000 0.75000000000000 0.25000000000000 65.380 > 117 126 Zn 0.62500000000000 0.75000000000000 0.25000000000000 65.380 > 117 127 Zn 0.12500000000000 0.75000000000000 0.75000000000000 65.380 > 117 128 Zn 0.62500000000000 0.75000000000000 0.75000000000000 65.380 > 117 129 Se 0.25000000000000 0.08356660503531 0.37500000000000 78.960 > 129 130 Se 0.75000000000000 0.08356660503531 0.37500000000000 78.960 > 129 131 Se 0.25000000000000 0.08356660503531 0.87500000000000 78.960 > 129 132 Se 0.75000000000000 0.08356660503531 0.87500000000000 78.960 > 129 133 Se 0.25000000000000 0.91643339496469 0.12500000000000 78.960 > 133 134 Se 0.75000000000000 0.91643339496469 0.12500000000000 78.960 > 133 135 Se 0.25000000000000 0.91643339496469 0.62500000000000 78.960 > 133 136 Se 0.75000000000000 0.91643339496469 0.62500000000000 78.960 > 133 137 Se 0.00000000000000 0.58356660503531 0.37500000000000 78.960 > 129 138 Se 0.50000000000000 0.58356660503531 0.37500000000000 78.960 > 129 139 Se 0.00000000000000 0.58356660503531 0.87500000000000 78.960 > 129 140 Se 0.50000000000000 0.58356660503531 0.87500000000000 78.960 > 129 141 Se 0.00000000000000 0.41643339496469 0.12500000000000 78.960 > 133 142 Se 0.50000000000000 0.41643339496469 0.12500000000000 78.960 > 133 143 Se 0.00000000000000 0.41643339496469 0.62500000000000 78.960 > 133 144 Se 0.50000000000000 0.41643339496469 0.62500000000000 78.960 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4136690 0.0000000 -0.1707832 0.0000000 3.1858695 0.0000000 -0.1707833 0.0000000 3.1282661 -------------------------- Born effective charges -------------------------- 1 H 1.4028585 0.5510698 -0.2371645 0.3669610 0.4547361 -0.0889893 -0.1299657 -0.0207921 0.3833283 2 H 1.4028585 -0.5510698 -0.2371645 -0.3669610 0.4547361 0.0889893 -0.1299657 0.0207921 0.3833283 3 H 1.4028585 0.5510698 -0.2371645 0.3669610 0.4547361 -0.0889893 -0.1299657 -0.0207921 0.3833283 4 H 1.4028585 -0.5510698 -0.2371645 -0.3669610 0.4547361 0.0889893 -0.1299657 0.0207921 0.3833283 5 O -1.5102469 -0.4279123 0.6404042 -0.3943786 -1.3034301 0.4819787 0.4513755 0.3863484 -1.4659014 6 O -1.5102469 0.4279123 0.6404042 0.3943786 -1.3034301 -0.4819787 0.4513755 -0.3863484 -1.4659014 7 O -1.5102469 -0.4279123 0.6404042 -0.3943786 -1.3034301 0.4819787 0.4513755 0.3863484 -1.4659014 8 O -1.5102469 0.4279123 0.6404042 0.3943786 -1.3034301 -0.4819787 0.4513755 -0.3863484 -1.4659014 9 O -1.8557171 0.2467909 -0.1337665 0.2437313 -1.5011236 0.4504016 -0.1739147 0.4381031 -1.1931700 10 O -1.8557171 -0.2467909 -0.1337665 -0.2437313 -1.5011236 -0.4504016 -0.1739147 -0.4381031 -1.1931700 11 O -1.8557171 0.2467909 -0.1337665 0.2437313 -1.5011236 0.4504016 -0.1739147 0.4381031 -1.1931700 12 O -1.8557171 -0.2467909 -0.1337665 -0.2437313 -1.5011236 -0.4504016 -0.1739147 -0.4381031 -1.1931700 13 O -1.9572967 0.0000000 0.0565547 0.0000000 -1.0139433 0.0000000 -0.0154310 0.0000000 -1.3368025 14 O -1.9572967 0.0000000 0.0565547 0.0000000 -1.0139433 0.0000000 -0.0154310 0.0000000 -1.3368025 15 Zn 2.3976652 -0.3959377 0.1302895 -0.4238955 2.6220074 -0.1964795 -0.4894549 -0.0609524 2.5039645 16 Zn 2.3976652 0.3959377 0.1302895 0.4238955 2.6220074 0.1964795 -0.4894549 0.0609524 2.5039645 17 Se 3.4858424 0.0000000 -0.7257906 0.0000000 3.0915712 0.0000000 0.2098957 0.0000000 3.3843244 18 Se 3.4858424 0.0000000 -0.7257906 0.0000000 3.0915712 0.0000000 0.2098957 0.0000000 3.3843244 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000125 (xyx) 0.00000125 (xyx) 0.00000125 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/196) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.972 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.636 ( 0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.352 ( 0.000 0.000 0.000) 0.000 11.329 ( 0.000 0.000 0.000) 0.000 11.801 ( 0.000 0.000 0.000) 0.000 11.859 ( 0.000 0.000 0.000) 0.000 12.182 ( 0.000 0.000 0.000) 0.000 12.808 ( 0.000 0.000 0.000) 0.000 13.034 ( 0.000 0.000 0.000) 0.000 13.332 ( 0.000 0.000 0.000) 0.000 13.760 ( 0.000 0.000 0.000) 0.000 22.639 ( 0.000 0.000 0.000) 0.000 22.739 ( 0.000 0.000 0.000) 0.000 23.322 ( 0.000 0.000 0.000) 0.000 23.574 ( 0.000 0.000 0.000) 0.000 23.581 ( 0.000 0.000 0.000) 0.000 23.618 ( 0.000 0.000 0.000) 0.000 24.737 ( 0.000 0.000 0.000) 0.000 25.241 ( 0.000 0.000 0.000) 0.000 25.772 ( 0.000 0.000 0.000) 0.000 26.074 ( 0.000 0.000 0.000) 0.000 29.335 ( 0.000 0.000 0.000) 0.000 29.482 ( 0.000 0.000 0.000) 0.000 29.882 ( 0.000 0.000 0.000) 0.000 29.993 ( 0.000 0.000 0.000) 0.000 46.419 ( 0.000 0.000 0.000) 0.000 46.692 ( 0.000 0.000 0.000) 0.000 88.719 ( 0.000 0.000 0.000) 0.000 88.835 ( 0.000 0.000 0.000) 0.000 89.338 ( 0.000 0.000 0.000) 0.000 89.955 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/196) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 14.275 -12.004 19.985) 27.337 0.596 ( 19.797 -23.334 1.888) 30.659 0.951 ( 45.452 -22.488 -1.784) 50.742 1.973 ( 13.992 -8.891 -0.882) 16.602 2.765 ( -0.742 2.915 -1.646) 3.429 2.963 ( 1.875 -4.735 -1.457) 5.297 3.181 ( 3.831 -2.440 11.420) 12.291 3.292 ( 1.424 -2.573 6.403) 7.046 3.839 ( 1.582 1.294 0.951) 2.254 4.148 ( 2.407 15.067 22.291) 27.013 4.399 ( -11.750 1.698 10.768) 16.028 4.615 ( 12.086 1.891 -8.621) 14.966 5.563 ( -28.960 -33.914 -12.980) 46.447 5.792 ( -5.782 8.263 8.447) 13.155 6.203 ( -7.055 -15.714 7.329) 18.719 6.745 ( -0.497 -4.146 -4.756) 6.329 7.028 ( 1.110 2.261 -0.363) 2.545 7.107 ( -8.935 -0.887 -3.250) 9.549 7.525 ( 14.011 -2.513 3.377) 14.630 8.090 ( 1.891 1.581 -1.198) 2.741 8.578 ( 1.835 5.113 -2.293) 5.896 8.764 ( -0.154 9.154 0.223) 9.158 8.857 ( -0.578 5.904 5.039) 7.783 9.061 ( -10.224 0.468 7.281) 12.560 9.298 ( -2.395 -0.569 5.486) 6.013 9.455 ( 1.526 -8.546 -9.369) 12.773 11.309 ( -4.824 -2.039 1.720) 5.512 11.820 ( -4.657 -0.440 -1.174) 4.823 11.859 ( 2.757 -2.267 0.569) 3.614 12.235 ( 7.426 -0.520 -3.205) 8.105 13.037 ( -0.371 0.238 1.765) 1.819 13.302 ( 3.522 7.177 -1.802) 8.195 13.589 ( 29.191 21.524 -10.501) 37.758 14.190 ( 22.688 8.632 -30.544) 39.015 22.613 ( -5.605 -0.178 3.228) 6.470 22.728 ( -2.418 -0.110 1.356) 2.774 23.348 ( 3.510 -0.505 -0.441) 3.574 23.563 ( -0.675 -1.089 -1.804) 2.213 23.625 ( 2.945 -0.440 1.952) 3.560 24.631 ( 18.748 28.300 -1.096) 33.964 24.792 ( 13.425 12.525 3.053) 18.612 25.685 ( -20.429 -9.464 21.358) 31.034 25.980 ( 14.431 -3.097 -40.179) 42.804 26.165 ( 7.966 -10.940 -18.971) 23.303 29.327 ( -0.553 1.308 0.733) 1.598 29.866 ( -0.254 1.560 -1.021) 1.882 29.998 ( 0.086 -1.587 -1.688) 2.318 30.232 ( 16.460 42.744 37.425) 59.150 46.428 ( 0.794 -0.824 -0.412) 1.216 46.737 ( -1.735 -4.480 -0.532) 4.834 88.889 ( 6.926 0.635 1.703) 7.160 89.343 ( -1.257 -2.195 0.246) 2.541 89.600 ( 46.618 44.160 -20.438) 67.387 90.686 ( 45.731 17.723 -65.039) 81.459 ======================= Grid point 2 (3/196) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 13.501 -13.125 16.986) 25.359 1.164 ( 17.828 -21.981 1.992) 28.372 1.805 ( 37.622 -16.719 -0.841) 41.179 2.291 ( 12.819 -8.843 -1.287) 15.626 2.713 ( 1.500 1.782 -0.657) 2.420 3.118 ( 9.022 -5.852 -1.548) 10.865 3.350 ( 4.267 -6.505 4.392) 8.934 3.409 ( 0.721 -2.159 11.231) 11.460 3.874 ( 2.387 -3.043 -1.688) 4.220 4.167 ( -2.208 2.618 11.779) 12.267 4.274 ( -7.895 4.912 8.191) 12.391 4.739 ( 15.514 1.667 -4.968) 16.376 5.440 ( -10.794 -8.998 -12.702) 18.942 5.677 ( -2.261 6.420 1.972) 7.087 6.333 ( -10.482 -16.186 8.549) 21.094 6.739 ( -2.425 -6.331 -10.238) 12.279 6.989 ( -2.029 1.311 -5.019) 5.570 7.020 ( 0.287 3.384 3.179) 4.651 7.796 ( 14.102 -4.243 2.284) 14.902 8.086 ( 1.939 2.308 -1.471) 3.355 8.511 ( -2.047 3.981 -1.543) 4.735 8.616 ( -6.158 2.916 -4.486) 8.158 8.738 ( -7.303 5.124 -0.036) 8.921 9.028 ( -2.346 1.881 10.037) 10.478 9.270 ( -0.982 3.712 1.268) 4.044 9.522 ( 0.750 -5.207 -2.599) 5.868 11.279 ( -5.776 -3.703 2.029) 7.154 11.717 ( -9.932 0.712 4.821) 11.063 11.964 ( 8.007 -1.870 -3.203) 8.824 12.338 ( 8.400 -0.799 -3.509) 9.139 13.042 ( 0.367 1.398 2.544) 2.926 13.251 ( 3.159 6.404 -1.999) 7.415 13.692 ( 15.189 5.513 -5.220) 16.981 14.191 ( 9.827 4.458 -12.927) 16.839 22.542 ( -6.404 -0.214 1.445) 6.569 22.688 ( -4.500 0.154 1.446) 4.729 23.424 ( 4.507 -1.631 -0.024) 4.793 23.567 ( 1.602 -0.649 -0.178) 1.738 23.701 ( 3.980 -1.375 1.373) 4.429 24.544 ( 7.624 14.504 -3.334) 16.721 24.849 ( 7.575 5.799 1.798) 9.708 25.644 ( -9.197 -3.101 5.938) 11.378 25.966 ( 7.008 -1.419 -15.152) 16.754 26.275 ( 4.432 -7.083 -6.895) 10.832 29.303 ( -0.717 2.194 1.421) 2.710 29.830 ( -0.209 1.999 -1.390) 2.444 30.008 ( 0.340 -2.644 -3.832) 4.668 30.206 ( 4.949 19.834 19.287) 28.104 46.454 ( 1.280 -1.340 -0.638) 1.960 46.772 ( -0.133 -3.522 0.117) 3.527 89.026 ( 11.162 2.499 3.088) 11.847 89.361 ( -1.593 -3.883 0.399) 4.216 89.587 ( 20.805 19.822 -9.333) 30.214 90.655 ( 19.775 8.528 -30.842) 37.617 ======================= Grid point 3 (4/196) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 11.273 -13.761 12.072) 21.498 1.668 ( 15.331 -18.283 1.432) 23.903 2.239 ( 8.771 2.692 -1.541) 9.304 2.635 ( 16.882 -11.545 4.824) 21.014 2.787 ( 6.203 -3.543 1.058) 7.222 3.290 ( 8.957 -2.426 -3.392) 9.880 3.495 ( 1.621 -4.371 0.621) 4.703 3.530 ( 5.002 -2.359 7.662) 9.449 3.947 ( 0.702 -4.661 0.351) 4.727 4.101 ( -9.793 0.073 3.363) 10.355 4.290 ( 4.878 0.619 10.115) 11.246 4.947 ( 12.530 -2.221 -0.157) 12.726 5.308 ( 1.941 1.751 -14.888) 15.116 5.610 ( -1.738 1.967 2.393) 3.552 6.414 ( -11.289 -13.172 8.259) 19.213 6.680 ( -3.878 -5.631 -12.381) 14.143 6.900 ( -0.268 4.531 -5.773) 7.344 7.028 ( 1.934 3.988 5.517) 7.077 8.008 ( 5.521 -0.876 -4.562) 7.216 8.107 ( 5.243 -1.947 3.487) 6.591 8.341 ( -9.462 4.761 -0.714) 10.616 8.558 ( -0.670 -3.749 -3.551) 5.207 8.568 ( -4.631 5.062 -1.595) 7.044 9.032 ( -3.201 2.334 6.446) 7.566 9.227 ( 0.867 4.097 2.121) 4.694 9.552 ( -0.569 -2.072 -1.879) 2.854 11.267 ( -4.230 -4.460 1.146) 6.253 11.592 ( -9.599 2.270 5.309) 11.202 12.074 ( 6.923 -1.508 -2.786) 7.613 12.437 ( 6.564 -0.942 -2.752) 7.179 13.052 ( 2.032 2.297 2.081) 3.706 13.209 ( 1.387 3.946 -1.313) 4.384 13.812 ( 10.738 0.696 -3.343) 11.268 14.175 ( 3.634 3.131 -6.103) 7.763 22.464 ( -5.205 -0.070 0.641) 5.245 22.621 ( -4.923 0.325 0.725) 4.986 23.480 ( 1.681 -0.523 -0.991) 2.021 23.653 ( 5.555 -2.180 4.213) 7.305 23.785 ( 3.318 -2.739 -0.116) 4.304 24.447 ( 3.791 10.746 -3.744) 11.995 24.896 ( 4.386 2.695 1.418) 5.339 25.588 ( -4.815 -0.776 0.664) 4.922 25.988 ( 4.001 -1.727 -7.083) 8.316 26.361 ( 2.450 -4.123 -2.537) 5.426 29.277 ( -0.627 2.034 1.556) 2.637 29.799 ( 0.081 1.350 -0.904) 1.627 30.014 ( 0.735 -2.595 -5.938) 6.522 30.170 ( 0.578 11.417 13.234) 17.488 46.485 ( 1.276 -1.348 -0.606) 1.952 46.816 ( 0.366 -2.844 0.279) 2.881 89.164 ( 9.586 4.142 3.109) 10.895 89.392 ( 1.198 -0.851 -0.485) 1.547 89.601 ( 9.901 5.944 -3.208) 11.985 90.610 ( 9.867 5.030 -18.155) 21.266 ======================= Grid point 4 (5/196) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 7.302 -12.645 6.088) 15.820 2.052 ( 10.949 -10.590 -0.924) 15.261 2.215 ( 0.046 5.772 1.046) 5.866 2.814 ( 1.946 2.922 3.847) 5.208 3.045 ( 5.339 -9.191 8.468) 13.590 3.350 ( 3.769 1.786 -7.538) 8.615 3.537 ( 1.469 -0.844 -1.545) 2.293 3.723 ( 10.504 -3.535 1.060) 11.133 3.990 ( -5.918 -4.069 5.007) 8.755 4.013 ( -1.756 0.966 0.230) 2.017 4.478 ( 7.542 -4.995 6.656) 11.232 4.979 ( -6.652 1.587 -3.769) 7.809 5.356 ( 16.277 1.506 -8.045) 18.219 5.611 ( -0.706 -0.960 3.287) 3.496 6.458 ( -8.465 -9.115 6.304) 13.946 6.615 ( -1.460 -3.460 -9.264) 9.996 6.794 ( 2.051 6.266 -6.732) 9.422 7.031 ( -1.505 3.910 7.070) 8.219 8.000 ( -0.936 -1.259 -2.854) 3.256 8.085 ( -6.852 2.993 -0.767) 7.517 8.344 ( 6.021 -3.687 0.819) 7.108 8.429 ( -2.675 4.241 -1.481) 5.228 8.629 ( 2.155 -5.318 -1.059) 5.835 8.964 ( -3.798 4.418 2.550) 6.360 9.228 ( 1.433 1.724 1.924) 2.954 9.537 ( -1.430 -0.214 -1.090) 1.811 11.285 ( -0.987 -4.396 -0.516) 4.535 11.466 ( -7.242 3.446 4.317) 9.108 12.154 ( 4.002 -0.824 -1.561) 4.374 12.506 ( 3.461 -0.675 -1.490) 3.828 13.077 ( 2.998 1.597 1.226) 3.611 13.171 ( -0.741 1.918 -0.688) 2.169 13.932 ( 7.752 -1.257 -1.940) 8.089 14.129 ( -0.996 2.493 -2.215) 3.481 22.408 ( -2.797 0.000 0.208) 2.804 22.560 ( -3.184 0.236 0.194) 3.198 23.491 ( 0.703 0.098 -0.701) 0.998 23.792 ( 4.656 0.174 5.847) 7.477 23.865 ( 1.772 -6.010 -1.717) 6.496 24.340 ( 1.139 7.988 -3.136) 8.656 24.929 ( 2.022 0.967 0.996) 2.452 25.540 ( -2.133 -0.035 -0.777) 2.271 26.014 ( 1.887 -1.219 -3.043) 3.783 26.410 ( 1.005 -1.785 -0.787) 2.194 29.260 ( -0.330 1.167 1.022) 1.586 29.787 ( 0.228 0.472 -0.153) 0.546 30.007 ( 0.683 -1.249 -5.097) 5.292 30.140 ( -0.710 5.328 7.715) 9.403 46.511 ( 0.787 -0.837 -0.359) 1.204 46.851 ( 0.327 -1.626 0.200) 1.671 89.242 ( 4.192 2.087 2.005) 5.094 89.396 ( 2.563 3.024 -1.645) 4.292 89.677 ( 4.264 -1.267 0.873) 4.533 90.564 ( 4.102 2.562 -9.319) 10.499 ======================= Grid point 5 (6/196) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -0.000 0.000 -0.000) 0.000 2.090 ( 0.000 -0.000 0.000) 0.000 2.249 ( 0.000 -0.000 0.000) 0.000 2.808 ( 0.000 -0.000 0.000) 0.000 3.189 ( -0.000 -0.000 0.000) 0.000 3.305 ( 0.000 0.000 -0.000) 0.000 3.550 ( 0.000 -0.000 0.000) 0.000 3.841 ( 0.000 -0.000 0.000) 0.000 3.977 ( 0.000 0.000 -0.000) 0.000 4.007 ( 0.000 -0.000 0.000) 0.000 4.646 ( -0.000 -0.000 -0.000) 0.000 4.841 ( 0.000 -0.000 0.000) 0.000 5.452 ( 0.000 -0.000 0.000) 0.000 5.631 ( -0.000 -0.000 -0.000) 0.000 6.478 ( 0.000 0.000 -0.000) 0.000 6.592 ( 0.000 -0.000 0.000) 0.000 6.745 ( 0.000 -0.000 0.000) 0.000 7.011 ( 0.000 -0.000 0.000) 0.000 7.979 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 -0.000 0.000) 0.000 8.365 ( 0.000 0.000 0.000) 0.000 8.434 ( -0.000 -0.000 0.000) 0.000 8.688 ( 0.000 -0.000 0.000) 0.000 8.902 ( 0.000 -0.000 0.000) 0.000 9.236 ( 0.000 -0.000 0.000) 0.000 9.520 ( 0.000 -0.000 0.000) 0.000 11.323 ( 0.000 -0.000 0.000) 0.000 11.386 ( 0.000 -0.000 0.000) 0.000 12.183 ( 0.000 -0.000 0.000) 0.000 12.530 ( 0.000 -0.000 0.000) 0.000 13.105 ( 0.000 -0.000 0.000) 0.000 13.141 ( 0.000 -0.000 0.000) 0.000 14.017 ( -0.000 0.000 0.000) 0.000 14.071 ( 0.000 -0.000 0.000) 0.000 22.389 ( 0.000 -0.000 0.000) 0.000 22.535 ( 0.000 -0.000 0.000) 0.000 23.493 ( 0.000 -0.000 0.000) 0.000 23.840 ( 0.000 -0.000 -0.000) 0.000 23.930 ( 0.000 -0.000 0.000) 0.000 24.274 ( 0.000 -0.000 0.000) 0.000 24.942 ( 0.000 -0.000 0.000) 0.000 25.521 ( 0.000 -0.000 0.000) 0.000 26.025 ( 0.000 -0.000 -0.000) 0.000 26.425 ( -0.000 -0.000 0.000) 0.000 29.254 ( 0.000 0.000 0.000) 0.000 29.786 ( 0.000 -0.000 0.000) 0.000 29.999 ( 0.000 0.000 0.000) 0.000 30.130 ( 0.000 -0.000 -0.000) 0.000 46.521 ( 0.000 -0.000 0.000) 0.000 46.865 ( 0.000 -0.000 0.000) 0.000 89.267 ( 0.000 -0.000 0.000) 0.000 89.386 ( 0.000 -0.000 0.000) 0.000 89.726 ( 0.000 -0.000 0.000) 0.000 90.542 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/196) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 25.337 0.000 4.569) 25.746 0.859 ( 19.560 0.000 17.148) 26.013 1.573 ( 49.178 0.000 -0.993) 49.189 2.190 ( 21.099 0.000 -1.068) 21.126 2.856 ( 5.729 0.000 -0.687) 5.770 2.894 ( 4.695 0.000 -5.017) 6.871 3.317 ( 0.381 0.000 15.279) 15.284 3.346 ( 3.683 0.000 5.038) 6.241 3.851 ( 1.747 0.000 -2.103) 2.734 4.222 ( -12.932 -0.000 8.281) 15.356 4.402 ( -7.841 -0.000 17.091) 18.804 4.741 ( 8.072 0.000 -2.987) 8.607 5.217 ( 8.409 0.000 -7.309) 11.142 5.865 ( -5.413 -0.000 9.213) 10.685 6.012 ( -5.677 -0.000 -0.268) 5.683 6.652 ( -1.301 -0.000 -11.277) 11.352 6.994 ( -2.887 -0.000 -1.592) 3.297 7.075 ( 3.148 0.000 -0.736) 3.233 7.746 ( 14.258 0.000 4.020) 14.814 8.115 ( 2.321 0.000 -3.434) 4.144 8.546 ( -1.294 -0.000 -6.758) 6.881 8.701 ( -11.336 -0.000 -0.885) 11.370 8.811 ( -9.477 -0.000 0.101) 9.478 9.093 ( -6.291 -0.000 14.707) 15.996 9.342 ( -1.218 -0.000 -1.387) 1.846 9.379 ( 7.502 0.000 -0.809) 7.546 11.231 ( -5.647 -0.000 2.015) 5.996 11.721 ( -10.554 -0.000 7.904) 13.186 11.936 ( 9.437 0.000 -5.097) 10.726 12.326 ( 8.707 0.000 -4.299) 9.711 13.052 ( 0.585 0.000 2.271) 2.345 13.329 ( -2.113 -0.000 2.167) 3.027 13.811 ( 3.369 0.000 -1.005) 3.516 14.285 ( 16.517 0.000 -35.831) 39.455 22.539 ( -7.064 -0.000 3.090) 7.710 22.689 ( -4.108 -0.000 1.214) 4.283 23.397 ( 4.622 0.000 -1.876) 4.988 23.559 ( 2.161 0.000 -0.886) 2.336 23.687 ( 3.720 0.000 2.122) 4.282 24.663 ( -2.440 -0.000 -3.697) 4.430 25.281 ( 3.520 0.000 -2.109) 4.103 25.439 ( -4.569 -0.000 10.679) 11.616 25.945 ( 20.491 0.000 -39.673) 44.653 26.109 ( -1.241 -0.000 7.000) 7.110 29.333 ( -0.907 -0.000 1.215) 1.516 29.853 ( -0.416 -0.000 -2.678) 2.710 29.967 ( -0.670 -0.000 -2.344) 2.438 30.614 ( -12.043 -0.000 17.568) 21.300 46.437 ( 1.639 0.000 -0.820) 1.832 46.717 ( 1.444 0.000 0.714) 1.610 89.059 ( 12.580 0.000 4.042) 13.214 89.305 ( -2.388 -0.000 0.519) 2.444 89.915 ( -2.242 -0.000 -1.806) 2.879 90.900 ( 34.907 0.000 -78.185) 85.624 ======================= Grid point 13 (8/196) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 19.994 -4.410 9.016) 22.372 1.312 ( 21.999 -9.777 6.401) 24.910 2.249 ( 36.326 -5.075 1.890) 36.727 2.451 ( 14.627 1.753 -0.771) 14.751 2.842 ( 8.966 7.540 -1.138) 11.770 3.130 ( 11.821 -12.156 -4.080) 17.440 3.389 ( -1.688 -0.946 9.033) 9.238 3.459 ( 2.247 -2.702 6.841) 7.691 3.891 ( 4.605 -0.506 -0.608) 4.672 4.093 ( -10.738 -0.005 4.642) 11.699 4.400 ( 0.644 5.320 10.185) 11.509 4.847 ( 2.235 -5.054 2.934) 6.257 5.336 ( 15.303 0.586 -13.003) 20.090 5.743 ( -5.054 8.742 4.325) 10.986 6.049 ( -9.885 -14.152 6.741) 18.532 6.550 ( -1.918 -3.594 -15.383) 15.914 6.983 ( 2.670 1.689 -0.844) 3.270 7.112 ( 4.512 1.964 -0.351) 4.934 7.981 ( 12.767 -0.806 2.630) 13.060 8.101 ( 0.239 0.493 -3.536) 3.578 8.463 ( -14.349 3.757 0.259) 14.835 8.496 ( -1.372 -1.087 -5.764) 6.024 8.668 ( -7.253 2.256 -0.861) 7.645 9.085 ( -4.939 1.755 10.636) 11.857 9.319 ( 0.653 2.688 1.110) 2.981 9.481 ( 3.419 -2.932 -1.998) 4.927 11.184 ( -4.450 -1.909 2.371) 5.391 11.624 ( -10.155 0.515 7.979) 12.925 12.042 ( 8.560 -0.878 -4.177) 9.565 12.415 ( 7.067 -0.579 -4.167) 8.225 13.081 ( 1.426 0.436 2.017) 2.508 13.286 ( -4.333 1.674 2.399) 5.228 13.846 ( 4.816 1.397 -0.904) 5.095 14.245 ( 8.062 2.033 -19.822) 21.495 22.462 ( -5.994 -0.050 2.323) 6.429 22.628 ( -4.670 0.191 0.477) 4.698 23.452 ( 3.411 -1.171 -2.270) 4.261 23.608 ( 3.710 -0.910 1.532) 4.115 23.759 ( 3.608 -0.191 2.104) 4.181 24.590 ( -2.244 1.428 -4.802) 5.489 25.172 ( 6.813 16.635 0.304) 17.979 25.521 ( -3.875 -6.174 2.744) 7.789 25.957 ( 9.985 -0.463 -19.124) 21.579 26.195 ( -0.506 -7.051 4.587) 8.427 29.318 ( -1.246 1.023 0.956) 1.874 29.823 ( -0.122 0.557 -3.051) 3.104 29.944 ( -0.761 -1.715 -4.267) 4.661 30.493 ( -7.608 10.174 13.315) 18.403 46.462 ( 2.183 -0.507 -1.006) 2.456 46.759 ( 1.880 -1.428 1.039) 2.579 89.247 ( 3.769 2.632 2.997) 5.488 89.327 ( 8.037 -2.752 4.298) 9.520 89.811 ( -1.565 6.398 -4.147) 7.783 90.778 ( 16.963 6.693 -42.616) 46.354 ======================= Grid point 14 (9/196) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 15.794 -5.341 7.112) 18.126 1.781 ( 20.430 -10.514 1.123) 23.004 2.461 ( 7.902 12.173 -1.520) 14.592 2.813 ( 16.919 -8.437 9.377) 21.103 2.907 ( 8.456 5.127 -0.347) 9.895 3.349 ( 8.118 -2.805 -7.963) 11.713 3.434 ( -3.096 -5.142 3.549) 6.973 3.621 ( 8.892 -6.247 4.097) 11.614 3.937 ( -2.246 0.629 2.997) 3.798 4.019 ( -1.429 -0.994 3.074) 3.533 4.460 ( 6.107 3.607 8.453) 11.034 4.931 ( -3.037 -5.113 0.560) 5.974 5.431 ( 13.985 4.503 -13.194) 19.747 5.649 ( 0.142 3.807 4.610) 5.980 6.121 ( -12.149 -14.463 8.899) 20.880 6.482 ( 0.439 -5.983 -15.542) 16.660 6.984 ( 5.591 6.391 -2.824) 8.949 7.149 ( 3.198 3.841 3.000) 5.829 8.010 ( -1.444 1.881 -4.125) 4.758 8.146 ( -7.506 1.601 2.447) 8.056 8.275 ( 3.410 -1.528 0.530) 3.774 8.503 ( 0.016 -2.333 -0.619) 2.414 8.549 ( -0.910 2.628 -4.176) 5.017 9.054 ( -5.175 2.597 7.844) 9.749 9.303 ( 1.812 3.604 0.010) 4.034 9.518 ( 0.499 -1.262 -2.160) 2.551 11.185 ( -1.757 -3.274 1.734) 4.100 11.530 ( -8.312 1.627 7.023) 11.003 12.134 ( 5.932 -0.710 -2.683) 6.549 12.481 ( 4.322 -1.056 -3.581) 5.711 13.104 ( 1.156 0.691 0.876) 1.606 13.208 ( -6.453 0.915 2.536) 6.993 13.910 ( 5.035 -0.496 -0.350) 5.071 14.184 ( 1.614 1.764 -10.382) 10.654 22.406 ( -3.721 -0.126 1.754) 4.116 22.566 ( -3.148 0.288 -0.277) 3.173 23.482 ( 1.336 -0.810 -2.239) 2.730 23.710 ( 3.515 -3.919 2.555) 5.852 23.820 ( 2.470 0.317 2.900) 3.822 24.492 ( -2.334 3.238 -5.571) 6.854 25.096 ( 5.516 12.137 1.702) 13.440 25.531 ( -1.135 -1.448 -0.831) 2.018 25.975 ( 5.129 -1.540 -9.724) 11.101 26.298 ( -1.787 -6.602 4.336) 8.098 29.290 ( -1.202 1.121 0.148) 1.650 29.798 ( 0.276 0.403 -2.313) 2.364 29.922 ( -0.985 -3.011 -6.609) 7.329 30.368 ( -4.949 9.480 11.402) 15.632 46.494 ( 2.227 -0.502 -0.930) 2.465 46.814 ( 2.069 -1.249 1.230) 2.712 89.236 ( -3.456 -1.034 1.899) 4.077 89.535 ( 11.378 5.101 5.636) 13.684 89.691 ( -0.871 2.458 -3.832) 4.635 90.644 ( 6.332 3.739 -23.376) 24.505 ======================= Grid point 15 (10/196) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 13.441 -4.117 2.806) 14.335 2.149 ( 14.743 -6.563 -1.441) 16.202 2.363 ( 2.449 13.799 -1.063) 14.055 2.895 ( 1.097 6.509 -2.343) 7.005 3.121 ( 4.914 -3.472 13.483) 14.764 3.342 ( 1.813 1.533 -10.495) 10.761 3.477 ( -2.833 -5.468 0.029) 6.158 3.830 ( 3.246 -0.388 5.361) 6.279 3.952 ( 3.426 -3.129 2.371) 5.211 4.048 ( 2.367 2.107 1.862) 3.675 4.604 ( 9.285 -0.339 4.522) 10.333 4.870 ( -5.879 0.601 -4.405) 7.371 5.441 ( -0.712 0.176 -2.071) 2.197 5.686 ( 6.101 3.382 -0.998) 7.047 6.188 ( -11.626 -14.768 8.764) 20.738 6.502 ( 4.996 -7.189 -12.289) 15.089 6.948 ( 5.897 10.166 -1.976) 11.918 7.126 ( -0.039 6.928 3.669) 7.840 7.961 ( -0.329 -0.439 -1.169) 1.291 8.025 ( -3.307 -0.097 -0.131) 3.311 8.384 ( 2.199 0.049 0.229) 2.211 8.460 ( 1.489 2.821 -0.641) 3.254 8.606 ( 4.371 -4.438 -0.868) 6.289 8.981 ( -5.031 4.210 4.733) 8.089 9.282 ( 1.654 3.352 -1.483) 4.021 9.513 ( -0.131 -0.632 -1.528) 1.659 11.239 ( 2.125 -4.039 0.187) 4.568 11.451 ( -4.946 2.642 5.431) 7.806 12.185 ( 2.065 0.087 -1.026) 2.308 12.513 ( 1.115 -1.196 -2.482) 2.973 13.103 ( -3.329 -0.176 -0.237) 3.343 13.127 ( -4.847 -0.904 2.859) 5.699 13.987 ( 4.023 -1.489 -1.170) 4.446 14.099 ( -3.643 1.284 -3.522) 5.228 22.386 ( -0.949 -0.207 1.459) 1.753 22.536 ( -0.076 0.097 -0.608) 0.620 23.485 ( 0.028 -0.643 -1.683) 1.802 23.793 ( -0.681 -3.871 -2.097) 4.455 23.886 ( 2.059 -0.946 7.272) 7.617 24.361 ( -3.444 4.289 -5.890) 8.059 25.049 ( 3.374 8.595 2.213) 9.495 25.530 ( 1.524 0.357 -1.547) 2.201 26.000 ( 2.710 -1.849 -5.211) 6.158 26.362 ( -3.325 -4.689 4.699) 7.424 29.262 ( -0.888 0.517 -0.989) 1.426 29.787 ( 0.315 0.063 -1.545) 1.578 29.896 ( -1.567 -4.438 -7.698) 9.022 30.281 ( -2.919 7.837 9.552) 12.696 46.521 ( 1.763 0.020 -0.657) 1.881 46.862 ( 1.928 -0.194 1.209) 2.284 89.207 ( -5.864 -2.533 2.231) 6.766 89.500 ( -1.631 5.744 -2.790) 6.591 89.751 ( 6.431 2.480 2.901) 7.478 90.544 ( 0.272 0.057 -10.385) 10.389 ======================= Grid point 16 (11/196) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 11.735 0.647 0.565) 11.766 2.145 ( -6.815 10.754 -3.236) 13.136 2.330 ( 9.684 8.262 -3.327) 13.157 2.782 ( -3.246 2.187 -5.358) 6.636 3.236 ( 1.743 6.216 -5.254) 8.324 3.286 ( -1.230 -2.552 7.048) 7.596 3.477 ( -4.905 -4.689 0.198) 6.789 3.813 ( -7.384 3.461 6.039) 10.147 4.015 ( 1.941 1.879 2.325) 3.564 4.099 ( 7.378 2.796 -3.542) 8.649 4.633 ( -3.665 6.839 -6.718) 10.263 4.876 ( 7.821 -5.762 3.489) 10.322 5.348 ( -13.433 0.789 4.875) 14.312 5.687 ( 2.902 4.467 -3.502) 6.376 6.292 ( -7.194 -15.318 7.525) 18.520 6.610 ( 7.341 -6.387 -7.126) 12.061 6.885 ( 2.156 9.843 5.200) 11.338 7.079 ( 6.641 7.520 -4.247) 10.895 8.001 ( 1.599 -2.996 0.164) 3.400 8.042 ( 4.516 0.252 1.493) 4.763 8.372 ( 0.753 0.301 -0.057) 0.813 8.437 ( -3.129 3.491 0.993) 4.792 8.714 ( 4.598 -0.347 -0.074) 4.612 8.900 ( -2.601 1.288 2.294) 3.700 9.236 ( -0.941 2.340 -3.383) 4.220 9.530 ( 2.227 -0.781 -0.150) 2.364 11.340 ( 5.020 -2.659 -0.544) 5.707 11.412 ( 0.804 1.840 2.442) 3.162 12.175 ( -2.293 0.890 0.568) 2.525 12.504 ( -2.308 -0.807 -1.103) 2.682 13.022 ( -8.467 -2.798 1.032) 8.976 13.126 ( -1.380 -1.574 1.173) 2.399 13.961 ( -6.064 0.912 -3.566) 7.093 14.072 ( -0.093 -2.050 2.478) 3.217 22.405 ( 1.876 -0.237 1.358) 2.327 22.555 ( 3.160 -0.182 -0.763) 3.256 23.479 ( -0.633 -0.847 -1.057) 1.495 23.768 ( -3.709 -1.395 -3.503) 5.289 23.964 ( -1.005 0.058 5.970) 6.054 24.223 ( -4.709 0.416 -4.516) 6.538 25.008 ( 1.805 6.689 1.638) 7.119 25.550 ( 3.514 0.846 -0.591) 3.662 26.020 ( 1.013 -0.978 -2.097) 2.525 26.387 ( -4.574 -3.184 4.795) 7.352 29.240 ( -0.471 -0.432 -1.990) 2.090 29.776 ( -0.263 -0.457 -2.646) 2.698 29.882 ( -2.351 -6.030 -5.845) 8.721 30.224 ( -1.099 6.580 6.943) 9.628 46.533 ( 0.971 0.862 -0.296) 1.332 46.889 ( 1.532 1.337 0.990) 2.262 89.152 ( -8.828 -3.406 1.644) 9.604 89.395 ( -4.552 0.910 -1.532) 4.888 89.764 ( 1.458 6.012 -0.993) 6.265 90.509 ( -2.253 -2.278 0.497) 3.242 ======================= Grid point 17 (12/196) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -11.200 14.816 -7.808) 20.147 2.161 ( -2.403 19.824 -0.467) 19.975 2.261 ( 9.509 4.651 -2.199) 10.812 2.694 ( -4.804 -2.044 -5.722) 7.745 3.057 ( -5.144 11.700 -4.846) 13.669 3.317 ( -3.527 -0.395 2.775) 4.505 3.492 ( -2.492 -3.694 3.272) 5.528 3.631 ( -10.178 6.850 0.672) 12.286 4.047 ( 2.205 0.972 -0.043) 2.410 4.112 ( 6.290 3.662 -4.664) 8.644 4.411 ( -5.100 8.251 -7.626) 12.339 4.989 ( -11.921 1.661 0.746) 12.059 5.237 ( 0.761 -3.730 13.302) 13.836 5.634 ( 0.794 3.473 -2.837) 4.554 6.443 ( -1.394 -11.402 4.022) 12.171 6.758 ( 7.610 -3.838 -0.325) 8.529 6.886 ( 5.398 5.994 7.182) 10.800 7.049 ( 7.706 8.149 -8.286) 13.944 8.019 ( -1.784 -0.180 1.691) 2.465 8.159 ( 3.278 -0.299 2.284) 4.006 8.301 ( -4.200 3.254 -0.796) 5.372 8.439 ( 3.700 -4.021 1.039) 5.562 8.691 ( -0.038 6.341 1.380) 6.489 8.959 ( 3.938 -3.621 0.485) 5.372 9.162 ( -2.205 -0.577 -5.506) 5.959 9.577 ( 2.219 0.090 1.408) 2.629 11.380 ( 3.758 4.176 1.240) 5.753 11.516 ( 9.068 -3.541 -2.486) 10.047 12.109 ( -5.872 1.325 1.916) 6.317 12.448 ( -5.781 -0.218 0.160) 5.787 12.956 ( -7.955 -5.078 0.654) 9.460 13.134 ( -1.892 -2.006 1.567) 3.172 13.814 ( -10.446 0.530 -0.725) 10.484 14.103 ( -2.191 -2.680 1.847) 3.923 22.463 ( 4.378 -0.159 1.244) 4.554 22.613 ( 5.041 -0.333 -1.083) 5.167 23.472 ( -1.055 -1.001 -0.840) 1.679 23.683 ( -4.671 0.521 -3.751) 6.013 23.901 ( -4.511 5.517 0.462) 7.142 24.190 ( -6.266 -8.341 0.872) 10.469 24.958 ( 0.743 5.999 0.950) 6.119 25.602 ( 5.321 0.756 -0.260) 5.381 26.020 ( -0.644 0.507 0.740) 1.105 26.379 ( -5.764 -2.077 4.888) 7.838 29.232 ( 0.025 -1.477 -2.354) 2.780 29.756 ( -1.223 -2.339 -4.302) 5.047 29.885 ( -3.607 -6.547 -3.790) 8.381 30.182 ( 0.191 5.811 4.024) 7.071 46.524 ( 0.155 1.695 0.042) 1.703 46.888 ( 1.125 2.853 0.680) 3.141 89.059 ( -10.730 -3.746 0.343) 11.370 89.317 ( -9.532 -4.003 1.395) 10.432 89.656 ( -1.803 7.253 -3.094) 8.089 90.526 ( -3.722 -2.528 6.879) 8.220 ======================= Grid point 18 (13/196) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -12.542 16.666 -10.985) 23.574 1.746 ( -14.412 24.099 -0.999) 28.097 2.232 ( -0.460 15.576 -2.437) 15.772 2.579 ( -3.963 8.464 -0.609) 9.366 2.778 ( -6.158 9.459 -0.973) 11.329 3.229 ( -7.572 5.172 2.393) 9.477 3.417 ( -3.531 0.036 -10.190) 10.785 3.515 ( -2.240 3.658 3.230) 5.369 4.010 ( -0.449 5.702 -0.409) 5.734 4.137 ( -2.087 -0.853 -7.673) 7.997 4.237 ( 5.951 4.164 -6.576) 9.798 4.710 ( -20.020 0.916 5.905) 20.893 5.500 ( 10.887 -2.928 11.771) 16.299 5.612 ( 3.479 0.546 -0.640) 3.580 6.568 ( 4.058 -2.770 -0.032) 4.914 6.885 ( 3.334 2.497 5.959) 7.271 6.968 ( 2.232 3.876 5.018) 6.722 6.995 ( 10.791 3.932 -8.838) 14.492 7.956 ( -11.434 7.610 3.344) 14.137 8.026 ( -3.997 -1.012 -2.879) 5.029 8.393 ( 6.032 -4.332 -0.084) 7.426 8.557 ( 1.819 -5.421 0.704) 5.761 8.669 ( 3.933 2.730 3.902) 6.177 9.008 ( 2.680 -0.231 -6.256) 6.810 9.166 ( 2.422 -4.281 -1.650) 5.188 9.594 ( -1.088 1.179 2.793) 3.221 11.394 ( 5.691 5.178 -0.680) 7.724 11.677 ( 9.595 -2.423 -1.741) 10.049 12.007 ( -7.529 1.482 2.214) 7.986 12.351 ( -8.038 -0.015 1.015) 8.102 12.924 ( -8.067 -7.486 0.614) 11.022 13.139 ( -2.534 -1.491 2.372) 3.778 13.638 ( -12.872 0.069 0.069) 12.872 14.101 ( -4.748 -3.154 2.218) 6.117 22.547 ( 5.727 0.134 0.897) 5.798 22.681 ( 4.664 -0.320 -1.549) 4.924 23.445 ( -3.125 -0.209 -1.861) 3.644 23.596 ( -1.476 1.705 -1.675) 2.809 23.765 ( -4.907 3.790 -1.156) 6.307 24.201 ( -10.725 -10.599 2.064) 15.219 24.898 ( 0.119 5.673 0.629) 5.709 25.680 ( 7.629 0.778 -2.047) 7.937 26.003 ( -2.238 1.357 4.147) 4.904 26.342 ( -7.004 -0.956 5.564) 8.996 29.244 ( 0.541 -2.296 -1.845) 2.995 29.733 ( -3.834 -5.849 -7.054) 9.934 29.875 ( -4.525 -5.212 -2.577) 7.368 30.141 ( 0.747 5.378 1.652) 5.675 46.499 ( -0.383 2.199 0.250) 2.246 46.865 ( 0.983 3.849 0.434) 3.997 88.948 ( -10.413 -3.441 -0.237) 10.969 89.207 ( -19.761 -8.485 3.721) 21.825 89.527 ( 0.020 7.383 -2.308) 7.736 90.549 ( -5.405 -2.028 9.419) 11.047 ======================= Grid point 19 (14/196) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -10.072 18.755 -10.315) 23.656 1.173 ( -21.152 24.793 -0.025) 32.590 1.800 ( -7.513 37.494 -1.938) 38.288 2.316 ( -7.771 16.650 1.403) 18.428 2.756 ( 6.090 0.614 1.255) 6.248 3.044 ( -8.713 4.914 -0.704) 10.028 3.325 ( -1.472 -0.477 -8.380) 8.521 3.394 ( -2.753 10.980 -0.231) 11.322 3.903 ( -2.778 6.687 0.022) 7.241 4.021 ( -2.784 -0.436 -7.839) 8.330 4.325 ( 8.219 -3.695 -7.264) 11.575 4.543 ( -11.709 -2.747 8.328) 14.629 5.606 ( -0.373 -4.050 0.999) 4.188 5.890 ( 21.612 -1.254 10.524) 24.071 6.587 ( 6.139 11.920 -4.579) 14.168 6.843 ( -4.934 -0.338 2.674) 5.622 6.994 ( 5.269 3.693 0.232) 6.438 7.121 ( 9.126 -0.481 0.497) 9.152 7.668 ( -11.663 9.273 -0.736) 14.919 8.012 ( -2.542 -4.129 -1.075) 4.967 8.469 ( -1.216 -1.464 -0.319) 1.930 8.631 ( 0.014 -4.351 0.437) 4.373 8.753 ( 2.386 -3.371 0.007) 4.130 9.057 ( 9.880 0.034 -2.961) 10.314 9.250 ( 4.655 -3.091 -3.172) 6.425 9.557 ( -5.875 0.907 5.108) 7.837 11.402 ( 5.187 5.102 -1.901) 7.520 11.811 ( 2.337 -0.931 5.132) 5.716 11.908 ( -1.361 1.080 -2.881) 3.364 12.244 ( -7.200 -0.109 0.856) 7.252 12.889 ( -14.365 -9.843 1.663) 17.493 13.122 ( -3.809 0.295 2.724) 4.692 13.451 ( -10.520 0.922 -0.874) 10.597 14.083 ( -5.120 -3.051 2.678) 6.534 22.625 ( 4.485 0.618 0.123) 4.529 22.726 ( 2.376 -0.238 -1.480) 2.809 23.377 ( -2.203 1.501 -1.090) 2.880 23.565 ( -1.462 -0.309 -1.724) 2.281 23.672 ( -0.623 2.925 -0.127) 2.993 24.144 ( -16.223 -9.578 0.569) 18.848 24.835 ( -0.064 5.059 0.393) 5.074 25.763 ( 8.697 1.351 -5.760) 10.519 26.001 ( -1.643 0.267 8.036) 8.206 26.285 ( -7.576 -0.097 7.254) 10.489 29.277 ( 1.117 -2.446 -0.431) 2.723 29.649 ( -11.334 -8.454 -13.058) 19.247 29.859 ( -1.838 -2.003 -0.130) 2.722 30.095 ( 0.589 4.946 0.411) 4.998 46.467 ( -0.443 2.183 0.243) 2.240 46.834 ( 1.185 3.856 0.382) 4.052 88.848 ( -8.957 -3.052 0.504) 9.476 88.992 ( -27.450 -8.094 4.335) 28.945 89.445 ( 1.086 5.921 -0.753) 6.067 90.550 ( -6.231 -1.107 9.016) 11.016 ======================= Grid point 20 (15/196) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -0.000 21.169 -0.000) 21.169 0.636 ( -0.000 27.684 -0.000) 27.684 1.191 ( -0.000 46.959 -0.000) 46.959 2.042 ( -0.000 16.731 -0.000) 16.731 2.840 ( -0.000 5.391 -0.000) 5.391 2.897 ( 0.000 -3.033 0.000) 3.033 3.216 ( -0.000 12.211 -0.000) 12.211 3.271 ( -0.000 1.408 -0.000) 1.408 3.795 ( -0.000 4.953 -0.000) 4.953 3.970 ( -0.000 0.070 -0.000) 0.070 4.419 ( 0.000 -4.327 0.000) 4.327 4.524 ( 0.000 -2.736 0.000) 2.736 5.679 ( 0.000 -7.504 0.000) 7.504 6.268 ( 0.000 -9.521 0.000) 9.521 6.400 ( -0.000 16.659 -0.000) 16.659 6.824 ( -0.000 2.452 -0.000) 2.452 7.020 ( 0.000 -1.440 0.000) 1.440 7.239 ( 0.000 -2.006 0.000) 2.006 7.434 ( -0.000 9.295 -0.000) 9.295 8.036 ( 0.000 -3.857 0.000) 3.857 8.405 ( -0.000 2.953 -0.000) 2.953 8.674 ( 0.000 -2.917 0.000) 2.917 8.812 ( 0.000 -3.503 0.000) 3.503 9.153 ( 0.000 -0.490 0.000) 0.490 9.330 ( 0.000 -1.677 0.000) 1.677 9.514 ( 0.000 -1.430 0.000) 1.430 11.381 ( -0.000 3.967 -0.000) 3.967 11.805 ( -0.000 0.352 -0.000) 0.352 11.948 ( 0.000 -1.259 0.000) 1.259 12.183 ( 0.000 -0.036 0.000) 0.036 12.771 ( 0.000 -2.633 0.000) 2.633 13.074 ( -0.000 2.676 -0.000) 2.676 13.352 ( -0.000 1.457 -0.000) 1.457 14.079 ( 0.000 -1.848 0.000) 1.848 22.650 ( -0.000 0.792 -0.000) 0.792 22.738 ( 0.000 -0.122 0.000) 0.122 23.343 ( -0.000 1.671 -0.000) 1.671 23.542 ( 0.000 -1.667 0.000) 1.667 23.659 ( -0.000 2.459 -0.000) 2.459 24.021 ( 0.000 -1.662 0.000) 1.662 24.782 ( -0.000 3.608 -0.000) 3.608 25.790 ( -0.000 1.409 -0.000) 1.409 26.053 ( 0.000 -1.528 0.000) 1.528 26.259 ( 0.000 -0.983 0.000) 0.983 29.329 ( 0.000 -2.393 0.000) 2.393 29.478 ( 0.000 -0.287 0.000) 0.287 29.867 ( 0.000 -1.154 0.000) 1.154 30.045 ( -0.000 3.919 -0.000) 3.919 46.440 ( -0.000 1.657 -0.000) 1.657 46.810 ( -0.000 2.503 -0.000) 2.503 88.716 ( 0.000 -0.200 0.000) 0.200 88.834 ( 0.000 -0.009 0.000) 0.009 89.390 ( -0.000 4.136 -0.000) 4.136 90.534 ( -0.000 0.227 -0.000) 0.227 ======================= Grid point 23 (16/196) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 18.958 0.000 4.149) 19.407 1.577 ( 24.333 0.000 4.520) 24.749 2.651 ( 8.744 0.000 -0.877) 8.788 2.696 ( 23.880 0.000 8.661) 25.402 3.060 ( 8.698 0.000 -2.600) 9.078 3.195 ( 18.757 0.000 -7.633) 20.250 3.380 ( -4.687 -0.000 7.161) 8.559 3.520 ( 3.228 0.000 2.818) 4.285 3.980 ( -8.118 -0.000 3.759) 8.946 3.981 ( 6.066 0.000 2.793) 6.678 4.549 ( 7.132 0.000 7.166) 10.111 4.822 ( -3.932 -0.000 5.678) 6.907 5.512 ( 16.792 0.000 -15.818) 23.070 5.780 ( -10.405 -0.000 9.388) 14.014 5.842 ( -3.966 -0.000 4.449) 5.960 6.395 ( 0.118 0.000 -16.737) 16.738 7.067 ( 6.121 0.000 0.666) 6.157 7.194 ( 5.843 0.000 -0.703) 5.886 8.046 ( -2.846 -0.000 -4.630) 5.435 8.156 ( 0.719 0.000 4.271) 4.331 8.268 ( -6.773 -0.000 0.561) 6.796 8.463 ( 1.069 0.000 -2.648) 2.856 8.594 ( -2.163 -0.000 -3.492) 4.108 9.087 ( -5.774 -0.000 9.628) 11.227 9.359 ( 1.571 0.000 0.331) 1.606 9.493 ( 2.216 0.000 -3.176) 3.872 11.142 ( -2.055 -0.000 2.660) 3.361 11.549 ( -8.754 -0.000 8.323) 12.079 12.124 ( 6.975 0.000 -3.315) 7.723 12.466 ( 4.629 0.000 -4.428) 6.406 13.112 ( 0.849 0.000 0.610) 1.046 13.218 ( -9.130 -0.000 3.909) 9.932 13.905 ( 2.276 0.000 2.754) 3.573 14.207 ( 3.634 0.000 -16.650) 17.042 22.404 ( -4.097 -0.000 2.367) 4.732 22.571 ( -3.220 -0.000 -0.375) 3.242 23.466 ( 1.990 0.000 -2.829) 3.459 23.664 ( 3.035 0.000 1.915) 3.589 23.825 ( 2.507 0.000 3.746) 4.507 24.523 ( -2.900 -0.000 -5.255) 6.002 25.376 ( 5.809 0.000 -3.166) 6.616 25.432 ( -2.320 -0.000 2.489) 3.402 25.956 ( 8.047 0.000 -17.207) 18.996 26.183 ( -3.205 -0.000 11.503) 11.941 29.305 ( -1.668 -0.000 -0.222) 1.683 29.804 ( 0.293 0.000 -3.263) 3.277 29.884 ( -1.172 -0.000 -5.783) 5.900 30.502 ( -9.015 -0.000 10.876) 14.127 46.488 ( 2.783 0.000 -1.162) 3.016 46.797 ( 2.877 0.000 1.661) 3.322 89.222 ( -4.361 -0.000 1.567) 4.634 89.587 ( 15.342 0.000 8.861) 17.717 89.746 ( -7.034 -0.000 -3.652) 7.926 90.704 ( 6.646 0.000 -33.382) 34.037 ======================= Grid point 24 (17/196) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 18.464 0.900 0.947) 18.511 1.977 ( 18.797 -5.985 1.892) 19.817 2.665 ( 2.056 8.303 0.205) 8.556 3.047 ( 12.128 0.352 8.696) 14.928 3.090 ( 5.982 4.572 -3.634) 8.360 3.309 ( -1.846 -4.097 -0.860) 4.576 3.426 ( 6.696 4.131 -4.818) 9.226 3.681 ( 10.219 -10.674 2.023) 14.914 3.922 ( -3.280 0.845 5.180) 6.189 4.087 ( 4.515 0.822 4.573) 6.479 4.682 ( 7.610 5.624 6.671) 11.578 4.826 ( -2.480 -4.287 0.583) 4.987 5.498 ( 0.182 4.393 -8.002) 9.130 5.717 ( -4.129 -3.482 3.335) 6.348 5.912 ( -0.826 -4.371 3.817) 5.862 6.335 ( 3.690 -4.853 -14.495) 15.725 7.136 ( 5.285 4.330 1.413) 6.977 7.260 ( 4.585 3.032 1.155) 5.617 7.973 ( -3.110 1.086 -1.313) 3.546 8.012 ( -9.021 -0.823 0.984) 9.112 8.374 ( 7.379 -0.306 1.481) 7.532 8.488 ( 0.509 -1.404 1.862) 2.387 8.565 ( 5.463 1.342 -6.649) 8.710 9.057 ( -5.678 1.632 7.291) 9.384 9.369 ( 2.771 2.852 -1.473) 4.240 9.488 ( -0.470 -1.179 -3.137) 3.384 11.165 ( 1.352 -1.712 2.125) 3.045 11.492 ( -6.089 0.790 7.567) 9.745 12.186 ( 3.641 0.034 -1.644) 3.995 12.486 ( 1.820 -0.727 -4.385) 4.803 13.092 ( -11.896 -0.518 4.273) 12.651 13.113 ( -1.104 -0.168 -0.313) 1.160 13.962 ( 1.644 -0.512 3.854) 4.221 14.119 ( -1.432 0.376 -11.335) 11.432 22.381 ( -1.440 -0.121 2.243) 2.669 22.538 ( -0.385 0.056 -0.813) 0.901 23.466 ( 0.226 -0.625 -2.779) 2.857 23.717 ( 1.326 -1.631 0.492) 2.159 23.881 ( 0.490 0.029 5.937) 5.957 24.426 ( -4.187 1.110 -6.092) 7.475 25.312 ( 2.735 10.902 0.572) 11.255 25.504 ( 3.048 -3.549 -1.812) 5.017 25.951 ( 4.209 -1.627 -11.031) 11.919 26.240 ( -4.332 -3.780 10.909) 12.332 29.272 ( -1.628 0.242 -1.600) 2.295 29.789 ( 0.527 0.033 -2.553) 2.607 29.824 ( -1.898 -1.420 -7.229) 7.608 30.435 ( -6.527 3.732 9.772) 12.330 46.522 ( 2.854 0.014 -1.069) 3.047 46.857 ( 3.195 -0.129 1.969) 3.755 89.167 ( -5.888 -0.751 2.364) 6.389 89.586 ( -9.007 1.314 -4.373) 10.098 89.843 ( 12.456 3.398 9.271) 15.896 90.542 ( -0.329 -0.167 -21.551) 21.554 ======================= Grid point 25 (18/196) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 16.618 -0.131 -1.700) 16.705 2.250 ( 7.736 -2.650 -0.111) 8.178 2.563 ( 3.429 10.732 -0.970) 11.308 2.947 ( -2.664 7.950 -9.157) 12.416 3.261 ( 3.006 0.240 10.972) 11.379 3.335 ( -3.026 -4.689 -0.536) 5.606 3.386 ( 4.810 6.818 -4.841) 9.647 3.895 ( -1.361 2.490 7.013) 7.566 3.987 ( 6.066 -8.344 1.770) 10.466 4.133 ( 2.336 3.445 2.161) 4.690 4.739 ( -2.908 -4.282 0.111) 5.177 4.831 ( 9.897 8.545 -2.527) 13.317 5.390 ( -7.346 2.548 2.173) 8.073 5.759 ( 2.181 -3.414 -1.991) 4.514 5.940 ( -6.628 -7.571 3.658) 10.706 6.412 ( 7.068 -8.237 -9.705) 14.560 7.115 ( -0.936 8.080 6.043) 10.134 7.276 ( 7.370 6.657 -1.667) 10.070 7.936 ( -0.123 -1.976 0.089) 1.982 8.010 ( 2.319 -2.265 0.609) 3.299 8.422 ( 0.980 2.515 -0.588) 2.762 8.501 ( -0.224 1.200 1.040) 1.604 8.664 ( 10.415 -1.464 -1.205) 10.586 8.981 ( -5.569 3.351 3.462) 7.364 9.327 ( -0.867 4.455 -3.412) 5.678 9.497 ( 2.285 -1.896 -1.284) 3.235 11.254 ( 5.505 -2.994 0.868) 6.326 11.467 ( -2.070 1.588 6.263) 6.784 12.196 ( -0.977 0.765 0.014) 1.241 12.474 ( -1.136 -1.327 -3.739) 4.127 12.953 ( -13.540 -2.406 4.630) 14.511 13.097 ( -0.966 -0.749 -0.902) 1.519 13.978 ( -3.089 0.595 -7.701) 8.319 14.029 ( -2.985 -1.498 4.052) 5.251 22.399 ( 1.375 -0.238 2.226) 2.627 22.550 ( 2.788 -0.185 -0.986) 2.963 23.453 ( -0.784 -1.095 -2.318) 2.681 23.734 ( -1.229 -1.131 -1.396) 2.177 23.928 ( -1.487 -1.372 7.133) 7.415 24.282 ( -6.275 2.324 -6.910) 9.619 25.227 ( 2.337 10.139 1.516) 10.515 25.570 ( 5.198 0.201 -1.745) 5.486 25.964 ( 2.331 -3.288 -6.857) 7.954 26.288 ( -6.046 -3.940 9.809) 12.178 29.234 ( -1.239 -0.134 -2.695) 2.969 29.752 ( -2.249 -1.720 -7.731) 8.234 29.790 ( -0.237 -1.233 -1.556) 1.999 30.372 ( -3.743 4.810 8.160) 10.185 46.551 ( 2.381 0.546 -0.799) 2.570 46.914 ( 2.987 0.719 1.926) 3.626 89.097 ( -8.225 -1.216 2.861) 8.793 89.407 ( -10.078 0.072 -3.765) 10.759 89.957 ( 6.443 8.755 2.521) 11.159 90.435 ( -2.151 -3.916 -7.428) 8.668 ======================= Grid point 26 (19/196) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -7.229 10.517 -4.605) 13.567 2.334 ( 13.350 1.407 -0.416) 13.431 2.577 ( 9.805 6.797 -2.624) 12.216 2.702 ( -7.502 8.135 -8.093) 13.709 3.249 ( -0.667 4.954 -4.873) 6.981 3.303 ( -6.803 -2.434 0.556) 7.247 3.423 ( 4.217 1.912 7.519) 8.830 3.820 ( -6.008 7.690 5.163) 11.040 4.080 ( 0.457 0.890 1.617) 1.901 4.151 ( 1.044 -0.946 -1.879) 2.349 4.632 ( -1.531 7.807 -7.837) 11.168 4.976 ( 10.626 -1.832 0.058) 10.783 5.222 ( -13.472 3.481 9.608) 16.909 5.747 ( 0.957 4.889 -3.996) 6.386 6.065 ( -2.051 -17.114 4.463) 17.805 6.583 ( 8.634 -8.451 -3.857) 12.682 7.061 ( 1.344 7.407 7.952) 10.950 7.287 ( 9.750 8.656 -5.220) 14.044 7.985 ( 1.068 -2.156 -0.167) 2.412 8.103 ( 3.808 -3.571 2.000) 5.590 8.391 ( -0.382 2.279 -0.439) 2.352 8.445 ( -2.906 4.085 1.186) 5.151 8.826 ( 8.164 2.662 -0.023) 8.587 8.895 ( -0.868 0.417 2.369) 2.558 9.198 ( -4.922 3.132 -5.539) 8.045 9.563 ( 3.322 -1.099 0.542) 3.540 11.402 ( 8.637 -2.910 0.067) 9.114 11.487 ( 2.909 1.920 4.220) 5.473 12.140 ( -5.514 1.198 1.420) 5.819 12.427 ( -4.509 -1.306 -2.850) 5.492 12.836 ( -12.420 -4.325 3.978) 13.740 13.098 ( 0.211 -1.139 -0.525) 1.272 13.827 ( -8.486 0.436 -5.675) 10.218 14.044 ( -3.558 -2.079 3.841) 5.633 22.457 ( 3.827 -0.319 2.269) 4.460 22.604 ( 4.853 -0.440 -1.179) 5.014 23.440 ( -1.061 -1.431 -1.900) 2.604 23.695 ( -2.350 0.603 -1.822) 3.035 23.964 ( -3.710 -1.596 6.047) 7.271 24.098 ( -8.126 1.377 -6.540) 10.521 25.152 ( 2.093 9.237 1.535) 9.595 25.630 ( 6.026 1.416 -1.102) 6.287 25.995 ( 1.755 -2.908 -4.133) 5.349 26.300 ( -7.838 -3.463 8.814) 12.293 29.205 ( -0.653 -0.840 -3.067) 3.246 29.683 ( -3.330 -2.907 -7.935) 9.084 29.796 ( -0.601 -1.546 -0.242) 1.676 30.323 ( -1.634 5.170 5.899) 8.012 46.563 ( 1.555 1.392 -0.458) 2.137 46.949 ( 2.404 2.069 1.568) 3.538 88.997 ( -10.156 -1.356 2.456) 10.536 89.243 ( -11.556 -2.161 -2.127) 11.947 89.873 ( 0.805 9.851 -3.976) 10.653 90.457 ( -0.835 -3.576 3.101) 4.806 ======================= Grid point 27 (20/196) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -10.496 16.416 -6.236) 20.458 2.287 ( -16.332 16.701 -1.806) 23.429 2.497 ( 13.876 6.113 -1.766) 15.265 2.650 ( 6.334 3.060 -5.055) 8.662 3.096 ( -4.267 11.150 -3.378) 12.407 3.238 ( -5.069 -3.978 -1.531) 6.623 3.511 ( 3.080 2.047 5.156) 6.345 3.629 ( -5.785 11.730 2.258) 13.272 4.070 ( -0.951 0.270 -1.580) 1.864 4.132 ( -1.199 -0.281 -3.223) 3.450 4.445 ( -0.601 10.719 -6.364) 12.480 4.836 ( -15.889 8.795 3.749) 18.544 5.363 ( 11.005 -7.226 9.034) 15.967 5.669 ( -0.067 3.716 -1.916) 4.182 6.295 ( 1.266 -15.571 2.699) 15.854 6.797 ( 8.733 -6.785 0.557) 11.073 7.091 ( 5.335 5.713 7.143) 10.589 7.249 ( 7.207 10.855 -7.145) 14.860 7.975 ( -3.874 -0.809 -0.687) 4.017 8.179 ( -5.781 4.251 3.727) 8.086 8.301 ( 2.035 -0.952 -1.125) 2.513 8.458 ( 3.380 -1.205 0.692) 3.654 8.789 ( 0.860 5.795 1.152) 5.970 9.004 ( 4.735 -0.152 -1.463) 4.958 9.088 ( 1.008 -1.486 -4.219) 4.586 9.600 ( -1.401 -0.446 1.992) 2.476 11.508 ( 5.617 3.574 1.811) 6.899 11.610 ( 9.957 -2.626 0.387) 10.305 12.037 ( -8.152 1.044 2.191) 8.506 12.336 ( -7.141 -1.035 -2.299) 7.573 12.757 ( -10.492 -5.683 3.101) 12.328 13.122 ( 1.688 -0.508 0.045) 1.763 13.651 ( -10.000 0.603 -3.547) 10.627 14.029 ( -5.220 -2.689 2.313) 6.311 22.545 ( 5.172 -0.344 2.149) 5.611 22.672 ( 4.696 -0.425 -1.413) 4.922 23.425 ( -1.417 -1.017 -1.721) 2.450 23.643 ( -0.547 1.933 -2.064) 2.880 23.864 ( -7.119 3.716 -3.215) 8.650 24.011 ( -7.422 -5.431 3.222) 9.744 25.079 ( 1.587 8.710 1.170) 8.930 25.699 ( 6.753 0.919 -1.202) 6.921 26.017 ( 0.986 -0.717 -1.982) 2.327 26.276 ( -9.018 -3.375 7.531) 12.224 29.195 ( 0.074 -1.703 -2.467) 2.999 29.612 ( -4.414 -3.507 -7.432) 9.328 29.804 ( -0.983 -1.713 0.272) 1.994 30.279 ( -0.357 5.390 3.497) 6.435 46.555 ( 0.690 2.226 -0.151) 2.335 46.955 ( 1.680 3.360 1.033) 3.895 88.883 ( -9.896 -1.615 1.868) 10.199 89.081 ( -13.869 -2.975 -0.924) 14.214 89.732 ( 0.263 8.923 -3.552) 9.607 90.508 ( -1.098 -1.719 5.051) 5.447 ======================= Grid point 28 (21/196) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -7.997 19.363 -5.323) 21.615 1.780 ( -16.135 22.961 -0.836) 28.076 2.521 ( 9.912 16.906 -3.467) 19.902 2.687 ( 5.311 4.435 -1.108) 7.007 2.806 ( -8.895 14.152 0.901) 16.740 3.224 ( -2.267 -1.637 0.315) 2.814 3.347 ( -3.542 14.003 -4.959) 15.271 3.580 ( 0.785 3.518 4.026) 5.404 4.033 ( -0.462 1.281 -3.089) 3.376 4.076 ( -2.733 2.132 -2.541) 4.297 4.291 ( -1.001 4.421 -4.157) 6.151 4.574 ( -8.730 6.735 4.897) 12.064 5.568 ( 0.294 -0.047 1.589) 1.617 5.752 ( 10.987 -7.669 4.849) 14.249 6.510 ( 2.050 -12.810 1.858) 13.106 6.974 ( 5.006 0.328 1.331) 5.191 7.097 ( 0.660 7.911 2.220) 8.243 7.172 ( 6.317 6.625 -3.730) 9.885 7.922 ( -4.093 -2.835 -1.635) 5.240 7.947 ( -8.428 12.235 1.448) 14.927 8.425 ( 4.662 -5.108 0.184) 6.918 8.521 ( 1.059 -1.718 0.391) 2.056 8.734 ( -2.135 1.679 -0.034) 2.716 9.064 ( 10.158 0.536 -2.948) 10.591 9.175 ( 5.739 -2.640 -1.657) 6.531 9.555 ( -8.324 -0.634 3.468) 9.039 11.536 ( 4.864 5.358 -0.259) 7.241 11.777 ( 6.230 -1.718 3.393) 7.299 11.925 ( -5.978 0.585 -0.296) 6.014 12.230 ( -6.339 -0.891 -1.769) 6.642 12.708 ( -8.681 -5.640 2.065) 10.556 13.148 ( 1.566 1.006 0.556) 1.942 13.485 ( -7.592 1.412 -2.152) 8.016 14.006 ( -4.151 -3.223 1.069) 5.363 22.632 ( 4.106 -0.125 1.419) 4.346 22.720 ( 2.498 -0.204 -1.215) 2.786 23.405 ( 0.108 0.720 -0.534) 0.903 23.577 ( -3.749 1.380 -4.034) 5.677 23.745 ( -0.171 2.741 -0.871) 2.881 23.983 ( -8.388 -4.819 3.089) 10.155 24.999 ( 0.779 8.140 0.651) 8.203 25.783 ( 6.957 0.230 -2.062) 7.260 26.013 ( -0.491 0.698 0.628) 1.060 26.237 ( -7.771 -3.099 4.976) 9.734 29.215 ( 0.755 -2.533 -1.000) 2.826 29.531 ( -5.082 -2.579 -6.206) 8.426 29.814 ( -0.700 -1.668 0.358) 1.844 30.228 ( 0.151 5.561 1.431) 5.744 46.529 ( 0.099 2.730 0.025) 2.732 46.933 ( 0.951 4.062 0.489) 4.200 88.782 ( -8.693 -1.614 1.726) 9.008 88.912 ( -10.818 -1.233 -0.778) 10.916 89.619 ( 0.707 7.857 -1.492) 8.029 90.535 ( -1.354 -0.493 3.751) 4.018 ======================= Grid point 29 (22/196) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.000 20.941 -0.000) 20.941 1.326 ( -0.000 27.409 -0.000) 27.409 2.255 ( -0.000 38.237 -0.000) 38.237 2.460 ( -0.000 15.112 -0.000) 15.112 2.805 ( 0.000 -4.097 0.000) 4.097 3.083 ( -0.000 14.679 -0.000) 14.679 3.259 ( 0.000 -2.813 0.000) 2.813 3.514 ( -0.000 9.802 -0.000) 9.802 3.972 ( -0.000 8.077 -0.000) 8.077 3.990 ( -0.000 1.873 -0.000) 1.873 4.285 ( 0.000 -5.253 0.000) 5.253 4.488 ( -0.000 1.496 -0.000) 1.496 5.572 ( 0.000 -1.355 0.000) 1.355 6.008 ( 0.000 -11.320 0.000) 11.320 6.691 ( 0.000 -11.099 0.000) 11.099 6.823 ( -0.000 16.883 -0.000) 16.883 7.118 ( -0.000 6.974 -0.000) 6.974 7.160 ( 0.000 -4.267 0.000) 4.267 7.722 ( -0.000 13.320 -0.000) 13.320 7.929 ( 0.000 -4.353 0.000) 4.353 8.487 ( -0.000 3.521 -0.000) 3.521 8.556 ( 0.000 -6.790 0.000) 6.790 8.728 ( 0.000 -2.555 0.000) 2.555 9.146 ( -0.000 0.040 -0.000) 0.040 9.277 ( 0.000 -2.422 0.000) 2.422 9.477 ( 0.000 -1.381 0.000) 1.381 11.505 ( -0.000 5.693 -0.000) 5.693 11.821 ( -0.000 0.994 -0.000) 0.994 11.907 ( 0.000 -1.989 0.000) 1.989 12.177 ( 0.000 -0.483 0.000) 0.483 12.692 ( 0.000 -3.667 0.000) 3.667 13.140 ( -0.000 2.378 -0.000) 2.378 13.395 ( -0.000 1.903 -0.000) 1.903 14.017 ( 0.000 -3.128 0.000) 3.128 22.668 ( -0.000 0.432 -0.000) 0.432 22.734 ( 0.000 -0.108 0.000) 0.108 23.396 ( -0.000 2.514 -0.000) 2.514 23.507 ( 0.000 -1.078 0.000) 1.078 23.726 ( -0.000 2.904 -0.000) 2.904 23.963 ( 0.000 -3.089 0.000) 3.089 24.913 ( -0.000 7.018 -0.000) 7.018 25.828 ( -0.000 1.170 -0.000) 1.170 26.015 ( 0.000 -1.048 0.000) 1.048 26.221 ( 0.000 -2.148 0.000) 2.148 29.258 ( 0.000 -3.172 0.000) 3.172 29.469 ( 0.000 -0.382 0.000) 0.382 29.831 ( 0.000 -1.652 0.000) 1.652 30.166 ( -0.000 5.543 -0.000) 5.543 46.495 ( -0.000 2.713 -0.000) 2.713 46.892 ( -0.000 3.957 -0.000) 3.957 88.712 ( 0.000 -0.064 0.000) 0.064 88.834 ( 0.000 -0.017 0.000) 0.017 89.530 ( -0.000 6.932 -0.000) 6.932 90.539 ( -0.000 0.131 -0.000) 0.131 ======================= Grid point 34 (23/196) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 18.132 0.000 -4.855) 18.771 2.190 ( 11.089 0.000 3.896) 11.754 2.718 ( -2.216 -0.000 1.967) 2.963 3.057 ( -1.452 -0.000 -15.034) 15.104 3.204 ( -6.175 -0.000 4.409) 7.588 3.310 ( 10.151 0.000 6.935) 12.294 3.652 ( 11.561 0.000 -4.659) 12.465 3.687 ( 5.671 0.000 4.009) 6.945 3.940 ( -1.139 -0.000 5.845) 5.955 4.192 ( 3.980 0.000 3.934) 5.596 4.677 ( -7.827 -0.000 0.608) 7.850 4.975 ( 14.764 0.000 3.090) 15.084 5.478 ( 1.313 0.000 -9.614) 9.703 5.547 ( -14.018 -0.000 9.584) 16.981 5.945 ( 1.594 0.000 -2.751) 3.179 6.285 ( 6.866 0.000 -9.884) 12.034 7.227 ( 0.349 0.000 4.081) 4.096 7.361 ( 4.690 0.000 1.616) 4.960 7.911 ( -1.538 -0.000 0.397) 1.588 7.974 ( 1.140 0.000 0.021) 1.140 8.461 ( 2.788 0.000 0.668) 2.866 8.498 ( -0.222 -0.000 1.881) 1.894 8.659 ( 12.334 0.000 -4.877) 13.263 9.026 ( -5.830 -0.000 4.067) 7.109 9.416 ( -4.242 -0.000 -4.059) 5.871 9.444 ( 5.640 0.000 -0.967) 5.723 11.216 ( 5.132 0.000 2.020) 5.516 11.486 ( -2.781 -0.000 7.450) 7.952 12.207 ( -0.428 -0.000 -0.032) 0.429 12.455 ( -0.587 -0.000 -5.062) 5.096 12.921 ( -15.189 -0.000 5.987) 16.326 13.088 ( -0.834 -0.000 -1.788) 1.973 13.996 ( -4.931 -0.000 -10.219) 11.346 13.999 ( -1.229 -0.000 5.850) 5.978 22.396 ( 1.242 0.000 2.465) 2.760 22.547 ( 2.534 0.000 -1.009) 2.727 23.437 ( -0.771 -0.000 -2.615) 2.726 23.720 ( 0.206 0.000 -0.506) 0.547 23.912 ( -2.325 -0.000 6.723) 7.113 24.310 ( -6.403 -0.000 -6.791) 9.333 25.404 ( -0.400 -0.000 0.008) 0.400 25.548 ( 8.496 0.000 -1.493) 8.626 25.906 ( 1.453 0.000 -8.628) 8.749 26.234 ( -5.336 -0.000 12.116) 13.239 29.232 ( -1.593 -0.000 -2.929) 3.334 29.727 ( -2.813 -0.000 -7.498) 8.009 29.780 ( 0.494 0.000 -1.947) 2.009 30.435 ( -5.056 -0.000 8.289) 9.709 46.558 ( 2.916 0.000 -0.987) 3.079 46.923 ( 3.548 0.000 2.280) 4.218 89.084 ( -7.845 -0.000 3.161) 8.458 89.406 ( -11.579 -0.000 -4.434) 12.399 90.103 ( 9.293 0.000 10.729) 14.194 90.356 ( -4.258 -0.000 -17.351) 17.866 ======================= Grid point 35 (24/196) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 4.588 2.435 -3.001) 5.998 2.314 ( 8.919 -1.124 -0.234) 8.993 2.678 ( 0.555 3.003 0.818) 3.162 2.877 ( -3.858 3.661 -13.580) 14.584 3.168 ( -5.847 -4.818 0.429) 7.589 3.449 ( 4.221 6.253 6.657) 10.062 3.577 ( 3.207 11.091 -0.313) 11.550 3.894 ( -3.836 -10.126 1.468) 10.927 3.976 ( 2.416 0.827 7.008) 7.458 4.236 ( 4.177 5.064 -0.349) 6.574 4.623 ( -1.433 -5.136 -2.887) 6.063 5.119 ( 12.854 10.161 -0.823) 16.406 5.329 ( -11.433 5.214 5.090) 13.558 5.614 ( 1.851 -15.905 -1.965) 16.132 5.889 ( -2.845 3.031 -2.294) 4.748 6.399 ( 10.160 -5.161 -3.517) 11.926 7.217 ( -1.153 4.245 5.651) 7.162 7.425 ( 5.510 2.513 0.311) 6.063 7.946 ( 3.719 -0.667 -0.619) 3.828 8.017 ( 1.871 -2.502 1.434) 3.438 8.455 ( -0.283 2.219 -0.719) 2.350 8.504 ( -1.047 0.449 1.070) 1.563 8.837 ( 13.762 0.245 -0.245) 13.766 8.954 ( -3.683 1.732 -0.020) 4.070 9.280 ( -7.524 2.521 -4.365) 9.057 9.533 ( 4.808 -1.032 -0.038) 4.917 11.341 ( 9.057 -1.435 1.530) 9.297 11.522 ( 1.312 0.686 6.838) 6.996 12.164 ( -5.599 0.597 1.304) 5.780 12.398 ( -2.987 -0.774 -5.104) 5.964 12.758 ( -14.101 -1.732 5.879) 15.376 13.078 ( 1.235 -0.434 -1.970) 2.365 13.835 ( -7.697 0.178 -8.082) 11.162 14.005 ( -4.453 -0.898 5.535) 7.160 22.451 ( 3.574 -0.155 2.559) 4.398 22.595 ( 4.604 -0.248 -1.135) 4.748 23.413 ( -0.753 -0.634 -1.862) 2.106 23.709 ( -0.829 0.364 -0.827) 1.226 23.918 ( -3.843 -1.115 6.028) 7.235 24.142 ( -8.740 1.088 -7.296) 11.437 25.363 ( 1.216 6.281 0.157) 6.399 25.663 ( 8.001 1.058 -1.053) 8.140 25.890 ( 0.506 -4.229 -5.595) 7.032 26.240 ( -6.728 -1.222 10.793) 12.777 29.190 ( -1.206 -0.337 -3.418) 3.641 29.636 ( -3.320 -0.917 -6.897) 7.710 29.776 ( 0.118 -0.327 -1.173) 1.223 30.416 ( -3.023 2.041 6.347) 7.321 46.588 ( 2.409 0.536 -0.745) 2.578 46.985 ( 3.186 0.753 2.104) 3.892 88.981 ( -9.672 -0.191 3.369) 10.244 89.208 ( -11.928 -0.728 -3.638) 12.492 90.110 ( -1.225 8.599 -6.921) 11.105 90.339 ( 2.369 -5.807 4.037) 7.459 ======================= Grid point 36 (25/196) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -8.066 11.150 -1.800) 13.879 2.388 ( -2.937 -0.057 -2.503) 3.859 2.691 ( -0.321 2.216 0.200) 2.248 2.750 ( 11.193 3.847 -11.273) 16.346 3.124 ( -6.297 -2.664 -1.894) 7.095 3.331 ( -5.146 9.491 2.525) 11.087 3.578 ( 4.050 4.236 4.654) 7.484 3.884 ( -4.158 -0.531 1.168) 4.352 4.024 ( -1.540 2.298 5.466) 6.126 4.199 ( 4.090 6.396 -5.173) 9.187 4.643 ( 0.330 1.866 -4.217) 4.623 5.080 ( -9.447 10.199 1.620) 13.996 5.230 ( 8.675 -0.838 4.307) 9.722 5.769 ( -1.179 3.175 -3.683) 5.004 5.885 ( 2.383 -16.347 2.003) 16.641 6.620 ( 10.471 -6.635 0.655) 12.413 7.219 ( 3.580 4.341 5.730) 8.031 7.451 ( 4.827 5.253 -2.088) 7.433 7.963 ( -2.484 -0.226 -1.548) 2.935 8.103 ( 2.210 -4.652 1.845) 5.471 8.402 ( -3.306 3.867 0.659) 5.130 8.485 ( 1.767 2.268 1.285) 3.149 8.907 ( 2.243 3.236 -1.503) 4.214 9.009 ( 8.396 0.565 -0.349) 8.422 9.101 ( -5.207 2.063 -4.189) 6.994 9.582 ( -0.756 -0.832 1.056) 1.542 11.522 ( 10.711 -1.640 1.444) 10.932 11.600 ( 5.026 1.304 5.319) 7.433 12.059 ( -8.596 0.706 1.747) 8.801 12.311 ( -5.328 -0.787 -4.750) 7.181 12.646 ( -10.888 -3.338 4.595) 12.280 13.109 ( 3.772 -0.491 -1.594) 4.124 13.662 ( -8.541 0.258 -5.702) 10.273 13.974 ( -6.613 -1.721 4.096) 7.967 22.534 ( 4.695 -0.417 2.390) 5.285 22.661 ( 4.754 -0.434 -1.210) 4.925 23.406 ( 0.210 -0.479 -0.831) 0.982 23.682 ( -0.363 1.114 -1.092) 1.601 23.913 ( -5.300 -1.474 4.272) 6.965 23.938 ( -9.166 1.026 -6.088) 11.051 25.298 ( 1.669 8.231 0.578) 8.418 25.729 ( 5.503 1.750 -1.608) 5.994 25.945 ( 2.926 -5.066 -3.720) 6.933 26.217 ( -8.512 -1.207 9.359) 12.708 29.161 ( -0.608 -1.033 -2.924) 3.160 29.556 ( -3.319 -1.283 -5.644) 6.673 29.775 ( -0.293 -0.753 -0.478) 0.938 30.388 ( -1.423 3.278 4.109) 5.445 46.601 ( 1.536 1.386 -0.437) 2.115 47.022 ( 2.308 1.969 1.528) 3.397 88.864 ( -9.429 -0.197 2.666) 9.801 89.032 ( -10.977 -1.253 -2.382) 11.303 89.940 ( -1.368 7.397 -5.833) 9.519 90.455 ( 1.439 -2.520 5.128) 5.892 ======================= Grid point 37 (26/196) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -6.990 16.776 -2.164) 18.302 2.188 ( -11.467 8.890 -1.963) 14.642 2.685 ( 2.676 1.097 0.242) 2.902 2.805 ( 10.779 8.441 -6.152) 15.010 3.074 ( -2.990 -6.098 -3.647) 7.709 3.167 ( -5.825 8.843 2.998) 11.006 3.621 ( 2.490 1.858 3.821) 4.925 3.827 ( 5.025 14.181 -0.437) 15.051 3.963 ( -6.602 -0.489 2.420) 7.049 4.134 ( 1.061 4.136 -4.703) 6.352 4.506 ( -4.327 9.386 -1.791) 10.490 4.828 ( -6.424 11.531 1.754) 13.315 5.473 ( 10.232 -7.604 3.108) 13.122 5.678 ( -2.941 2.404 -0.505) 3.832 6.141 ( 2.453 -16.236 0.866) 16.443 6.845 ( 7.181 -6.863 1.358) 10.026 7.279 ( 5.523 4.701 4.797) 8.695 7.391 ( 1.564 9.112 -3.251) 9.800 7.877 ( -6.069 -0.898 -2.569) 6.651 8.177 ( -2.507 1.371 2.532) 3.818 8.300 ( -0.748 0.958 -0.160) 1.226 8.532 ( 4.975 1.355 2.281) 5.639 8.807 ( -7.297 3.637 -2.556) 8.544 9.071 ( 12.057 -0.325 -5.066) 13.082 9.146 ( 5.047 0.651 1.319) 5.257 9.537 ( -8.070 -0.680 2.184) 8.388 11.645 ( 5.075 3.144 2.060) 6.315 11.735 ( 8.285 -1.361 3.041) 8.930 11.941 ( -6.994 0.707 0.317) 7.037 12.208 ( -5.151 -0.713 -3.620) 6.336 12.587 ( -7.112 -4.262 2.674) 8.711 13.162 ( 3.713 0.169 -0.692) 3.780 13.512 ( -6.225 0.796 -3.057) 6.980 13.931 ( -5.283 -2.690 2.015) 6.262 22.620 ( 3.632 -0.752 1.632) 4.052 22.714 ( 2.773 -0.285 -0.933) 2.940 23.421 ( 2.292 0.703 0.861) 2.547 23.624 ( -4.408 2.205 -4.768) 6.857 23.791 ( -1.175 0.458 -1.958) 2.329 23.891 ( -6.424 -2.366 3.524) 7.699 25.216 ( 1.084 9.001 0.537) 9.081 25.777 ( 3.907 -0.489 -1.343) 4.160 26.017 ( 4.634 -1.247 -4.049) 6.279 26.164 ( -9.276 -1.973 7.844) 12.307 29.159 ( 0.006 -1.938 -1.573) 2.497 29.492 ( -2.629 -0.893 -3.653) 4.588 29.779 ( -0.362 -1.129 -0.051) 1.187 30.351 ( -0.413 4.197 1.911) 4.630 46.592 ( 0.623 2.226 -0.159) 2.317 47.024 ( 1.173 3.136 0.749) 3.431 88.763 ( -6.546 -0.165 1.614) 6.744 88.892 ( -7.282 -0.512 -1.353) 7.425 89.810 ( -0.178 7.234 -2.601) 7.690 90.517 ( 0.275 -1.032 2.962) 3.149 ======================= Grid point 38 (27/196) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.000 19.397 -0.000) 19.397 1.910 ( -0.000 18.408 -0.000) 18.408 2.715 ( 0.000 -0.455 0.000) 0.455 2.755 ( -0.000 7.819 -0.000) 7.819 2.961 ( -0.000 18.164 -0.000) 18.164 3.134 ( 0.000 -7.222 0.000) 7.222 3.587 ( -0.000 25.413 -0.000) 25.413 3.640 ( -0.000 1.880 -0.000) 1.880 3.981 ( 0.000 -6.480 0.000) 6.480 4.075 ( -0.000 3.388 -0.000) 3.388 4.340 ( -0.000 9.338 -0.000) 9.338 4.651 ( -0.000 10.919 -0.000) 10.919 5.593 ( -0.000 2.638 -0.000) 2.638 5.722 ( 0.000 -11.673 0.000) 11.673 6.358 ( 0.000 -15.330 0.000) 15.330 6.989 ( 0.000 -6.127 0.000) 6.127 7.237 ( -0.000 12.944 -0.000) 12.944 7.284 ( -0.000 6.060 -0.000) 6.060 7.839 ( 0.000 -2.863 0.000) 2.863 8.044 ( -0.000 11.851 -0.000) 11.851 8.369 ( 0.000 -7.418 0.000) 7.418 8.573 ( -0.000 3.395 -0.000) 3.395 8.696 ( 0.000 -0.168 0.000) 0.168 9.161 ( -0.000 1.222 -0.000) 1.222 9.221 ( 0.000 -2.010 0.000) 2.010 9.453 ( 0.000 -0.552 0.000) 0.552 11.640 ( -0.000 4.926 -0.000) 4.926 11.852 ( -0.000 1.444 -0.000) 1.444 11.857 ( 0.000 -1.957 0.000) 1.957 12.160 ( 0.000 -0.824 0.000) 0.824 12.594 ( 0.000 -4.263 0.000) 4.263 13.182 ( -0.000 1.034 -0.000) 1.034 13.437 ( -0.000 1.434 -0.000) 1.434 13.935 ( 0.000 -3.345 0.000) 3.345 22.664 ( 0.000 -0.690 0.000) 0.690 22.733 ( 0.000 -0.071 0.000) 0.071 23.464 ( -0.000 3.013 -0.000) 3.013 23.494 ( -0.000 0.058 -0.000) 0.058 23.795 ( -0.000 2.588 -0.000) 2.588 23.873 ( 0.000 -4.137 0.000) 4.137 25.115 ( -0.000 9.047 -0.000) 9.047 25.822 ( 0.000 -1.511 0.000) 1.511 26.028 ( -0.000 2.028 -0.000) 2.028 26.151 ( 0.000 -3.553 0.000) 3.553 29.184 ( 0.000 -2.728 0.000) 2.728 29.461 ( 0.000 -0.269 0.000) 0.269 29.792 ( 0.000 -1.422 0.000) 1.422 30.299 ( -0.000 4.985 -0.000) 4.985 46.564 ( -0.000 2.739 -0.000) 2.739 46.992 ( -0.000 3.856 -0.000) 3.856 88.714 ( -0.000 0.243 -0.000) 0.243 88.834 ( -0.000 0.009 -0.000) 0.009 89.712 ( -0.000 7.465 -0.000) 7.465 90.537 ( 0.000 -0.377 0.000) 0.377 ======================= Grid point 45 (28/196) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -8.949 -0.000 2.390) 9.263 2.461 ( 9.625 0.000 -5.198) 10.939 2.683 ( -1.507 -0.000 0.595) 1.620 2.742 ( -3.755 -0.000 -11.220) 11.831 3.100 ( 1.055 0.000 -1.484) 1.820 3.585 ( 0.403 0.000 2.547) 2.579 3.654 ( -10.070 -0.000 1.168) 10.138 3.689 ( -5.086 -0.000 4.609) 6.863 4.092 ( 4.499 0.000 5.457) 7.073 4.380 ( 10.779 0.000 -3.634) 11.375 4.563 ( 2.695 0.000 -3.537) 4.447 5.184 ( -15.781 -0.000 8.125) 17.750 5.443 ( 10.384 0.000 0.085) 10.384 5.488 ( 7.860 0.000 -8.184) 11.347 5.839 ( -4.998 -0.000 -0.335) 5.009 6.526 ( 11.477 0.000 1.163) 11.536 7.278 ( 1.800 0.000 4.720) 5.052 7.512 ( 3.988 0.000 0.740) 4.056 7.963 ( -1.693 -0.000 -1.804) 2.474 8.038 ( 2.106 0.000 1.476) 2.571 8.449 ( -1.772 -0.000 0.235) 1.787 8.517 ( 0.895 0.000 1.866) 2.070 8.948 ( 4.467 0.000 -3.284) 5.544 9.015 ( 7.317 0.000 -0.854) 7.366 9.139 ( -7.035 -0.000 -2.831) 7.583 9.570 ( -0.158 -0.000 0.617) 0.637 11.498 ( 11.465 0.000 2.025) 11.643 11.618 ( 4.246 0.000 6.776) 7.996 12.069 ( -8.762 -0.000 1.449) 8.881 12.302 ( -4.296 -0.000 -5.582) 7.043 12.603 ( -11.219 -0.000 5.171) 12.353 13.102 ( 4.486 0.000 -2.318) 5.049 13.665 ( -8.122 -0.000 -6.368) 10.321 13.951 ( -7.159 -0.000 4.859) 8.652 22.528 ( 4.486 0.000 2.356) 5.067 22.655 ( 4.805 0.000 -1.145) 4.939 23.401 ( 0.987 0.000 -0.327) 1.040 23.695 ( -1.040 -0.000 -0.188) 1.057 23.892 ( -3.603 -0.000 4.161) 5.505 23.956 ( -10.366 -0.000 -7.165) 12.601 25.417 ( 1.338 0.000 -0.582) 1.459 25.802 ( 9.156 0.000 -0.435) 9.166 25.813 ( -1.422 -0.000 -3.358) 3.647 26.205 ( -7.083 -0.000 8.734) 11.245 29.148 ( -0.891 -0.000 -3.036) 3.164 29.541 ( -2.951 -0.000 -5.046) 5.846 29.766 ( -0.126 -0.000 -0.891) 0.900 30.430 ( -1.874 -0.000 4.251) 4.645 46.618 ( 1.855 0.000 -0.539) 1.932 47.047 ( 2.561 0.000 1.718) 3.083 88.863 ( -9.398 -0.000 2.973) 9.857 89.016 ( -10.065 -0.000 -2.790) 10.445 90.046 ( -3.333 -0.000 -8.234) 8.883 90.412 ( 3.414 0.000 6.856) 7.659 ======================= Grid point 47 (29/196) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -8.963 3.484 1.450) 9.725 2.391 ( -1.673 11.781 -3.946) 12.536 2.688 ( -0.845 -0.435 0.290) 0.994 2.736 ( 1.868 -11.565 -5.494) 12.939 3.130 ( 8.040 4.268 -4.988) 10.380 3.359 ( -10.474 11.006 4.408) 15.819 3.669 ( -5.196 -10.696 -0.679) 11.911 3.695 ( -0.752 1.317 4.487) 4.736 4.160 ( 2.319 2.281 3.637) 4.879 4.396 ( 10.395 14.957 -5.474) 19.019 4.634 ( 1.043 -0.996 -1.937) 2.415 4.995 ( -13.071 0.319 5.469) 14.172 5.429 ( 9.242 7.562 -3.113) 12.341 5.733 ( 5.370 -8.811 -7.139) 12.548 5.763 ( -4.991 -4.350 6.830) 9.512 6.705 ( 7.466 -3.544 1.609) 8.419 7.356 ( 5.452 1.602 4.323) 7.140 7.542 ( 2.098 3.045 -0.271) 3.707 7.868 ( -7.190 -0.052 -3.339) 7.928 8.095 ( 1.808 -2.793 0.805) 3.423 8.405 ( -2.862 2.780 1.204) 4.168 8.565 ( 4.422 0.975 3.577) 5.771 8.885 ( -10.471 2.101 -4.719) 11.676 9.057 ( 12.114 -0.485 -4.158) 12.817 9.180 ( 5.477 1.245 1.232) 5.751 9.524 ( -7.026 -0.309 1.360) 7.163 11.676 ( 9.073 -0.102 2.517) 9.416 11.729 ( 5.304 0.488 4.928) 7.256 11.955 ( -6.504 0.353 -0.234) 6.518 12.198 ( -4.518 -0.144 -4.536) 6.404 12.507 ( -7.496 -1.927 3.143) 8.354 13.162 ( 4.870 -0.073 -1.663) 5.146 13.525 ( -5.475 0.236 -3.548) 6.528 13.883 ( -6.265 -1.071 2.947) 7.006 22.604 ( 3.240 -0.419 1.483) 3.588 22.708 ( 3.019 -0.169 -0.805) 3.129 23.438 ( 3.798 0.518 1.665) 4.179 23.672 ( -2.207 1.363 -1.567) 3.030 23.766 ( -7.918 -1.400 -4.371) 9.153 23.872 ( -2.560 0.038 2.184) 3.365 25.401 ( 1.076 4.835 -0.185) 4.957 25.773 ( 0.074 0.250 -1.481) 1.504 25.945 ( 7.183 -3.172 -1.857) 8.069 26.152 ( -7.452 0.263 6.256) 9.733 29.125 ( -0.404 -0.726 -1.753) 1.940 29.479 ( -1.837 -0.209 -2.796) 3.352 29.761 ( -0.205 -0.389 -0.414) 0.604 30.424 ( -0.807 1.547 2.084) 2.718 46.631 ( 0.940 0.854 -0.261) 1.296 47.078 ( 1.377 1.175 0.926) 2.033 88.764 ( -5.972 0.094 1.665) 6.201 88.884 ( -5.964 -0.164 -1.460) 6.143 89.946 ( -1.316 3.213 -3.845) 5.181 90.491 ( 1.339 -0.801 3.450) 3.787 ======================= Grid point 48 (30/196) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -0.000 11.239 -0.000) 11.239 2.213 ( -0.000 9.940 -0.000) 9.940 2.693 ( 0.000 -0.759 0.000) 0.759 2.874 ( 0.000 -10.034 0.000) 10.034 3.068 ( -0.000 13.167 -0.000) 13.167 3.204 ( -0.000 3.408 -0.000) 3.408 3.681 ( -0.000 2.898 -0.000) 2.898 3.759 ( 0.000 -10.940 0.000) 10.940 4.160 ( -0.000 2.903 -0.000) 2.903 4.221 ( -0.000 23.384 -0.000) 23.384 4.555 ( -0.000 6.690 -0.000) 6.690 4.903 ( -0.000 5.857 -0.000) 5.857 5.487 ( 0.000 -4.746 0.000) 4.746 5.677 ( -0.000 3.613 -0.000) 3.613 5.968 ( 0.000 -15.858 0.000) 15.858 6.826 ( 0.000 -5.882 0.000) 5.882 7.401 ( -0.000 3.320 -0.000) 3.320 7.492 ( -0.000 7.029 -0.000) 7.029 7.790 ( 0.000 -1.180 0.000) 1.180 8.156 ( 0.000 -3.786 0.000) 3.786 8.331 ( -0.000 5.281 -0.000) 5.281 8.645 ( -0.000 2.307 -0.000) 2.307 8.713 ( -0.000 1.285 -0.000) 1.285 9.178 ( 0.000 -0.992 0.000) 0.992 9.206 ( -0.000 1.730 -0.000) 1.730 9.447 ( 0.000 -0.014 0.000) 0.014 11.735 ( -0.000 2.735 -0.000) 2.735 11.816 ( 0.000 -1.289 0.000) 1.289 11.885 ( -0.000 1.099 -0.000) 1.099 12.143 ( 0.000 -0.449 0.000) 0.449 12.494 ( 0.000 -3.504 0.000) 3.504 13.195 ( -0.000 0.176 -0.000) 0.176 13.464 ( -0.000 0.696 -0.000) 0.696 13.864 ( 0.000 -2.203 0.000) 2.203 22.643 ( 0.000 -0.871 0.000) 0.871 22.729 ( 0.000 -0.161 0.000) 0.161 23.505 ( -0.000 0.586 -0.000) 0.586 23.546 ( -0.000 3.635 -0.000) 3.635 23.765 ( 0.000 -4.508 0.000) 4.508 23.846 ( -0.000 1.474 -0.000) 1.474 25.330 ( -0.000 7.697 -0.000) 7.697 25.780 ( 0.000 -1.482 0.000) 1.482 26.053 ( 0.000 -4.069 0.000) 4.069 26.084 ( -0.000 2.006 -0.000) 2.006 29.130 ( 0.000 -1.549 0.000) 1.549 29.456 ( 0.000 -0.106 0.000) 0.106 29.765 ( 0.000 -0.781 0.000) 0.781 30.398 ( -0.000 2.889 -0.000) 2.889 46.621 ( -0.000 1.702 -0.000) 1.702 47.070 ( -0.000 2.337 -0.000) 2.337 88.722 ( -0.000 0.306 -0.000) 0.306 88.834 ( -0.000 0.023 -0.000) 0.023 89.873 ( -0.000 5.153 -0.000) 5.153 90.521 ( 0.000 -0.751 0.000) 0.751 ======================= Grid point 58 (31/196) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.000 -0.000 0.000) 0.000 2.511 ( -0.000 0.000 -0.000) 0.000 2.575 ( 0.000 -0.000 0.000) 0.000 2.682 ( 0.000 -0.000 0.000) 0.000 3.228 ( 0.000 -0.000 0.000) 0.000 3.408 ( -0.000 0.000 -0.000) 0.000 3.475 ( 0.000 -0.000 0.000) 0.000 3.731 ( 0.000 -0.000 0.000) 0.000 4.198 ( 0.000 -0.000 0.000) 0.000 4.613 ( 0.000 -0.000 0.000) 0.000 4.639 ( 0.000 -0.000 0.000) 0.000 4.856 ( 0.000 -0.000 0.000) 0.000 5.591 ( 0.000 -0.000 0.000) 0.000 5.628 ( -0.000 0.000 -0.000) 0.000 5.730 ( 0.000 -0.000 0.000) 0.000 6.746 ( 0.000 -0.000 0.000) 0.000 7.443 ( 0.000 -0.000 0.000) 0.000 7.577 ( 0.000 -0.000 0.000) 0.000 7.776 ( 0.000 -0.000 0.000) 0.000 8.095 ( 0.000 -0.000 0.000) 0.000 8.405 ( 0.000 -0.000 0.000) 0.000 8.676 ( 0.000 -0.000 0.000) 0.000 8.735 ( 0.000 -0.000 0.000) 0.000 9.164 ( 0.000 -0.000 0.000) 0.000 9.234 ( 0.000 -0.000 0.000) 0.000 9.448 ( 0.000 -0.000 0.000) 0.000 11.771 ( 0.000 -0.000 0.000) 0.000 11.797 ( 0.000 -0.000 0.000) 0.000 11.900 ( 0.000 -0.000 0.000) 0.000 12.138 ( 0.000 -0.000 0.000) 0.000 12.446 ( 0.000 -0.000 0.000) 0.000 13.196 ( 0.000 -0.000 0.000) 0.000 13.472 ( 0.000 -0.000 0.000) 0.000 13.835 ( 0.000 -0.000 0.000) 0.000 22.631 ( 0.000 -0.000 0.000) 0.000 22.727 ( 0.000 -0.000 0.000) 0.000 23.513 ( 0.000 -0.000 0.000) 0.000 23.624 ( 0.000 -0.000 0.000) 0.000 23.676 ( 0.000 -0.000 0.000) 0.000 23.865 ( 0.000 -0.000 0.000) 0.000 25.439 ( 0.000 -0.000 0.000) 0.000 25.761 ( 0.000 -0.000 0.000) 0.000 25.991 ( 0.000 -0.000 0.000) 0.000 26.111 ( 0.000 -0.000 0.000) 0.000 29.111 ( 0.000 -0.000 0.000) 0.000 29.455 ( 0.000 -0.000 0.000) 0.000 29.755 ( 0.000 -0.000 0.000) 0.000 30.435 ( 0.000 -0.000 0.000) 0.000 46.642 ( 0.000 -0.000 0.000) 0.000 47.099 ( 0.000 -0.000 0.000) 0.000 88.726 ( 0.000 -0.000 0.000) 0.000 88.835 ( 0.000 -0.000 0.000) 0.000 89.941 ( 0.000 -0.000 0.000) 0.000 90.510 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/196) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -2.000 -0.000 21.285) 21.379 0.549 ( -8.408 -0.000 25.420) 26.775 0.964 ( -15.753 -0.000 44.603) 47.303 1.876 ( -4.317 -0.000 6.586) 7.875 2.769 ( -1.355 -0.000 0.081) 1.358 2.850 ( -2.907 -0.000 -12.286) 12.625 3.292 ( 8.846 0.000 4.614) 9.977 3.327 ( 0.593 0.000 6.893) 6.918 3.815 ( 2.383 0.000 -2.240) 3.270 4.219 ( 16.839 0.000 -14.548) 22.253 4.442 ( 32.319 0.000 1.389) 32.349 4.654 ( -9.748 -0.000 4.843) 10.885 5.151 ( -1.892 -0.000 -2.668) 3.271 6.199 ( -4.882 -0.000 8.578) 9.870 6.363 ( 1.170 0.000 -15.358) 15.403 6.820 ( -0.539 -0.000 4.248) 4.282 7.039 ( -0.616 -0.000 0.680) 0.918 7.327 ( -14.693 -0.000 -0.756) 14.713 7.432 ( 9.829 0.000 4.892) 10.980 8.090 ( -2.550 -0.000 0.106) 2.552 8.428 ( 35.687 0.000 -2.074) 35.747 8.574 ( -3.629 -0.000 -5.747) 6.796 8.876 ( 1.422 0.000 1.431) 2.018 9.046 ( -3.026 -0.000 -0.350) 3.046 9.187 ( 2.010 0.000 2.379) 3.115 9.563 ( -4.770 -0.000 -1.487) 4.997 11.329 ( -7.880 -0.000 0.238) 7.883 11.823 ( 10.633 0.000 -3.452) 11.179 12.198 ( -6.526 -0.000 1.508) 6.698 12.390 ( 3.839 0.000 -0.029) 3.839 12.862 ( -52.285 -0.000 0.974) 52.294 13.024 ( 2.923 0.000 -0.946) 3.072 13.358 ( 1.596 0.000 2.382) 2.867 13.743 ( -0.898 -0.000 -1.634) 1.864 22.763 ( 0.702 0.000 2.243) 2.350 23.213 ( -30.135 -0.000 -3.781) 30.371 23.355 ( -17.472 -0.000 1.949) 17.581 23.527 ( -0.867 -0.000 -2.232) 2.394 23.633 ( 0.170 0.000 2.717) 2.722 23.809 ( 61.617 0.000 -0.213) 61.617 24.754 ( -0.472 -0.000 1.614) 1.681 25.212 ( -0.084 -0.000 -2.752) 2.753 26.103 ( 3.975 0.000 2.745) 4.831 26.565 ( -55.210 -0.000 -2.141) 55.252 29.355 ( 0.241 0.000 1.816) 1.832 29.899 ( 14.594 0.000 -6.826) 16.111 29.903 ( -3.244 -0.000 2.027) 3.825 30.182 ( 44.269 0.000 2.529) 44.341 46.437 ( -1.308 -0.000 1.688) 2.136 46.683 ( 0.866 0.000 -0.853) 1.215 88.828 ( -54.944 -0.000 -0.046) 54.944 88.833 ( 2.575 0.000 -0.168) 2.580 89.367 ( -1.395 -0.000 2.781) 3.112 89.925 ( 0.353 0.000 -2.893) 2.915 ======================= Grid point 106 (33/196) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 11.430 -16.001 15.118) 24.803 1.028 ( 20.986 -9.848 19.027) 29.990 1.231 ( 8.203 -13.557 29.596) 33.571 2.031 ( 9.395 -8.457 5.791) 13.904 2.694 ( 0.529 3.732 -5.303) 6.506 2.866 ( 3.662 -8.526 -4.570) 10.344 3.369 ( 3.951 2.291 7.478) 8.762 3.492 ( 5.289 -4.451 7.762) 10.394 3.798 ( -0.185 -0.006 -3.230) 3.235 4.312 ( 10.533 2.548 -12.076) 16.225 4.509 ( 1.324 10.624 2.131) 10.916 4.577 ( -2.621 2.421 8.237) 8.976 5.225 ( -5.026 -14.744 -11.717) 19.492 5.977 ( -9.853 14.553 5.039) 18.283 6.308 ( -4.155 -10.089 -5.043) 12.020 6.769 ( -13.943 -6.256 7.631) 17.082 6.998 ( -1.534 5.097 -1.681) 5.582 7.116 ( -11.319 -3.909 2.562) 12.246 7.644 ( 11.689 -1.230 7.686) 14.044 8.063 ( -0.844 0.108 -1.237) 1.501 8.467 ( -2.183 -0.123 -7.824) 8.124 8.691 ( 4.717 7.668 -5.987) 10.812 8.902 ( -3.811 5.074 0.932) 6.414 9.065 ( 8.602 -1.823 -2.876) 9.251 9.315 ( 8.635 -4.560 -1.415) 9.867 9.432 ( -8.782 1.701 3.256) 9.520 11.294 ( 1.302 -1.818 -3.728) 4.347 11.887 ( -4.433 3.655 5.951) 8.272 12.003 ( -10.343 0.183 8.254) 13.233 12.176 ( -1.121 -3.287 -0.819) 3.569 13.041 ( 27.354 10.120 -15.280) 32.926 13.065 ( 2.283 -0.697 0.349) 2.412 13.474 ( 10.936 0.271 1.850) 11.094 13.823 ( 5.179 -9.771 -6.875) 13.021 22.741 ( -7.395 3.771 3.677) 9.078 22.811 ( -11.899 0.477 6.059) 13.362 23.352 ( 1.850 -2.150 0.845) 2.960 23.533 ( 0.118 -2.048 -0.844) 2.218 23.663 ( 2.512 0.169 1.520) 2.941 24.385 ( 29.066 11.507 -15.308) 34.808 24.813 ( 8.611 2.818 1.353) 9.160 25.329 ( 8.621 -15.251 -12.828) 21.713 25.991 ( -20.319 5.239 8.600) 22.677 26.237 ( -1.378 -5.760 5.906) 8.364 29.358 ( -0.614 1.282 2.047) 2.492 29.859 ( -3.185 0.692 0.559) 3.307 29.914 ( 1.547 -0.199 -6.154) 6.349 30.487 ( 18.468 19.236 -1.092) 26.688 46.440 ( -0.561 -0.869 1.456) 1.786 46.715 ( 1.240 -2.814 -1.191) 3.298 88.919 ( 12.889 2.610 -0.084) 13.151 89.006 ( 42.594 6.273 -16.589) 46.139 89.383 ( -1.133 -2.186 3.065) 3.932 90.005 ( 2.385 -13.753 -10.547) 17.495 ======================= Grid point 107 (34/196) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 13.519 -17.503 8.327) 23.632 1.416 ( 5.401 -8.054 20.902) 23.042 1.908 ( 26.232 -15.883 9.335) 32.055 2.342 ( 12.257 -9.261 5.801) 16.421 2.683 ( 5.011 -0.354 -1.629) 5.281 3.025 ( 8.256 -6.887 -6.562) 12.596 3.466 ( 3.370 -0.814 5.846) 6.796 3.641 ( -0.787 -2.056 8.763) 9.035 3.813 ( 4.778 -3.919 -3.601) 7.152 4.259 ( -5.855 -0.370 -4.572) 7.438 4.454 ( -0.405 5.035 8.326) 9.739 4.677 ( 16.929 3.960 -0.059) 17.387 5.166 ( -7.331 -5.557 -10.059) 13.631 5.776 ( -4.251 8.433 5.985) 11.181 6.337 ( -1.223 -9.381 -12.114) 15.370 6.705 ( -16.766 -9.495 10.121) 21.764 6.884 ( -1.031 5.150 -4.977) 7.236 7.095 ( -1.559 -2.211 3.572) 4.481 7.869 ( 9.323 -0.656 4.405) 10.332 8.055 ( 1.599 -1.294 -0.941) 2.262 8.420 ( 0.912 -3.379 -7.111) 7.925 8.540 ( -6.324 7.812 -2.526) 10.364 8.736 ( -8.365 5.584 -0.202) 10.060 9.143 ( 3.225 3.166 2.874) 5.356 9.327 ( -3.901 3.327 1.726) 5.410 9.453 ( 4.508 -3.959 -2.871) 6.651 11.293 ( -2.241 -2.377 -2.501) 4.114 11.795 ( -5.543 3.855 4.789) 8.278 12.013 ( -1.490 -2.332 6.195) 6.785 12.253 ( 7.465 -2.912 -4.219) 9.056 13.072 ( 5.192 5.420 -2.332) 7.860 13.123 ( 9.212 4.465 -6.253) 11.996 13.640 ( 10.349 0.038 1.086) 10.406 13.972 ( 7.576 -5.899 -6.994) 11.879 22.595 ( -8.025 2.485 2.713) 8.828 22.732 ( -6.867 0.046 2.566) 7.331 23.423 ( 1.346 -3.249 -0.038) 3.517 23.595 ( 4.800 -2.387 2.858) 6.075 23.719 ( 3.958 -0.095 0.469) 3.986 24.407 ( 8.750 9.228 -8.758) 15.441 24.897 ( 7.372 4.884 2.772) 9.268 25.537 ( 9.365 -11.107 -15.546) 21.278 25.775 ( -9.573 2.322 3.613) 10.492 26.351 ( 1.705 -3.300 6.868) 7.808 29.337 ( -1.476 1.748 1.479) 2.724 29.813 ( -2.157 0.395 -0.031) 2.193 29.889 ( 0.464 -1.269 -7.142) 7.269 30.443 ( 6.044 15.752 4.298) 17.410 46.462 ( 0.015 -1.570 1.363) 2.079 46.762 ( 1.555 -2.751 -0.954) 3.301 89.087 ( 15.157 5.353 2.208) 16.226 89.270 ( 19.916 7.763 -11.039) 24.058 89.455 ( 5.540 -2.030 2.083) 6.257 90.141 ( 8.045 -10.779 -16.072) 20.957 ======================= Grid point 108 (35/196) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 10.671 -10.372 4.286) 15.486 1.745 ( 4.644 -15.542 11.807) 20.063 2.253 ( 6.122 0.675 2.675) 6.715 2.787 ( 11.274 -2.396 3.882) 12.162 2.817 ( 14.605 -13.965 6.399) 21.196 3.120 ( 6.779 -1.642 -12.734) 14.519 3.526 ( 0.635 1.657 2.269) 2.881 3.677 ( -0.731 -1.541 4.490) 4.803 3.967 ( 5.152 -6.191 2.434) 8.414 4.150 ( -7.074 -0.502 0.945) 7.154 4.474 ( 1.014 0.595 5.760) 5.879 4.939 ( 24.499 1.255 -5.038) 25.043 5.048 ( -7.038 -0.843 -2.570) 7.540 5.713 ( -1.987 2.664 6.763) 7.536 6.319 ( -0.188 -7.420 -16.728) 18.301 6.665 ( -11.476 -5.579 9.234) 15.751 6.767 ( -2.814 3.367 -4.963) 6.625 7.157 ( 1.324 -1.677 5.794) 6.176 7.933 ( 1.508 0.062 -2.790) 3.172 8.175 ( 6.062 -1.751 3.238) 7.092 8.310 ( -8.712 4.665 -2.253) 10.136 8.485 ( 3.818 -5.202 -2.731) 7.007 8.547 ( -6.870 4.950 -0.735) 8.499 9.104 ( -1.980 6.759 1.030) 7.118 9.281 ( -0.328 1.533 2.335) 2.813 9.506 ( 0.453 -2.154 -2.327) 3.203 11.262 ( -2.803 -2.096 -2.562) 4.337 11.684 ( -7.211 4.327 4.048) 9.333 12.089 ( 2.625 -1.938 4.055) 5.205 12.372 ( 6.860 -3.124 -3.268) 8.216 13.064 ( 5.607 5.259 -2.392) 8.051 13.142 ( 3.952 2.582 -3.072) 5.632 13.792 ( 7.736 -1.914 1.613) 8.131 14.071 ( 4.537 -1.938 -3.387) 5.984 22.487 ( -5.307 1.736 1.312) 5.736 22.644 ( -6.597 0.083 1.307) 6.726 23.460 ( 0.593 -1.652 -0.739) 1.904 23.745 ( 3.381 -5.149 0.583) 6.187 23.792 ( 6.640 0.778 4.710) 8.178 24.338 ( 3.238 6.689 -6.483) 9.862 24.953 ( 4.326 3.669 3.841) 6.851 25.579 ( -4.430 -1.965 -2.772) 5.583 25.753 ( 7.151 -4.098 -9.814) 12.816 26.451 ( 1.003 -1.048 7.384) 7.525 29.298 ( -1.854 1.292 0.179) 2.267 29.789 ( -0.981 -0.291 -0.566) 1.169 29.862 ( 0.126 -2.578 -7.319) 7.760 30.363 ( 1.964 11.901 4.989) 13.053 46.495 ( 0.149 -1.758 1.453) 2.285 46.810 ( 1.711 -1.972 -0.820) 2.736 89.223 ( 12.651 8.437 1.615) 15.292 89.327 ( 6.048 2.198 -4.324) 7.753 89.593 ( 5.899 -2.811 2.285) 6.923 90.269 ( 9.487 -6.685 -12.599) 17.130 ======================= Grid point 109 (36/196) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 4.622 -8.868 2.555) 10.321 2.040 ( 4.491 -9.863 3.232) 11.309 2.272 ( -1.422 3.461 3.494) 5.119 2.842 ( -3.127 -0.653 -2.059) 3.801 3.046 ( 6.307 3.461 -11.936) 13.937 3.270 ( 9.689 -7.058 4.253) 12.719 3.528 ( 1.157 -0.027 0.355) 1.211 3.737 ( 6.119 1.649 -0.158) 6.339 4.056 ( -0.975 2.760 3.713) 4.728 4.102 ( -5.962 -4.602 5.190) 9.147 4.567 ( 4.416 -4.955 0.335) 6.646 4.931 ( -6.451 1.792 1.657) 6.898 5.248 ( 18.937 -1.163 -2.351) 19.117 5.721 ( -3.333 -0.595 6.882) 7.670 6.312 ( 4.782 -5.343 -14.589) 16.256 6.601 ( 4.444 9.475 -6.556) 12.350 6.702 ( -11.646 -9.594 8.706) 17.420 7.214 ( -2.766 0.995 8.506) 8.999 7.943 ( 0.462 -2.501 -2.197) 3.360 8.068 ( -6.584 3.944 -0.861) 7.723 8.360 ( 6.309 -1.900 0.021) 6.589 8.400 ( -3.508 2.680 -0.442) 4.437 8.622 ( 3.768 -6.198 0.251) 7.258 8.973 ( -1.898 8.230 -1.807) 8.637 9.280 ( -1.939 0.277 3.187) 3.741 9.501 ( -0.710 -1.140 -2.482) 2.822 11.237 ( -0.069 -1.565 -4.214) 4.496 11.548 ( -6.810 5.070 3.799) 9.302 12.175 ( 2.356 -1.252 3.139) 4.120 12.471 ( 3.940 -2.855 -1.607) 5.124 13.077 ( 5.745 3.533 -1.921) 7.013 13.129 ( 0.432 1.550 -2.159) 2.693 13.935 ( 5.158 -3.951 2.105) 6.829 14.103 ( 0.797 0.872 -0.312) 1.222 22.419 ( -2.391 1.380 0.765) 2.864 22.571 ( -4.300 -0.228 0.796) 4.379 23.480 ( 0.367 -1.160 -0.255) 1.243 23.788 ( 0.759 -1.566 -3.642) 4.036 23.948 ( 5.204 -0.121 6.838) 8.594 24.262 ( 0.261 2.127 -3.987) 4.527 24.982 ( 1.419 3.111 3.906) 5.191 25.529 ( -2.591 -1.309 -0.428) 2.935 25.840 ( 7.233 -3.840 -10.525) 13.336 26.512 ( -0.177 0.839 7.825) 7.872 29.259 ( -1.640 0.245 -1.090) 1.984 29.772 ( -0.556 -1.179 -4.002) 4.209 29.864 ( 0.272 -3.942 -4.142) 5.724 30.283 ( 0.589 9.522 4.416) 10.513 46.526 ( -0.233 -1.374 1.690) 2.190 46.844 ( 1.515 -0.608 -0.877) 1.853 89.270 ( 7.081 7.502 -0.380) 10.323 89.356 ( 1.071 -1.794 -0.733) 2.214 89.697 ( 3.045 -1.121 0.310) 3.260 90.411 ( 7.981 -5.776 -4.230) 10.722 ======================= Grid point 110 (37/196) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -3.517 7.834 -0.655) 8.612 2.129 ( -1.340 -6.120 0.557) 6.289 2.219 ( -4.899 -1.262 -0.667) 5.103 2.747 ( -3.292 -1.410 -5.931) 6.928 3.008 ( 3.446 4.331 -6.466) 8.511 3.412 ( 0.849 -1.728 0.351) 1.957 3.560 ( 1.302 -1.045 1.600) 2.312 3.771 ( 6.550 5.678 -4.820) 9.918 4.021 ( -2.269 3.531 4.263) 5.982 4.073 ( -7.579 -1.125 3.997) 8.642 4.588 ( -6.322 3.386 -3.183) 7.846 4.924 ( 2.392 -3.887 6.037) 7.568 5.454 ( 8.196 -1.043 0.309) 8.268 5.696 ( -8.616 -1.517 5.522) 10.346 6.349 ( 8.672 4.817 -7.945) 12.710 6.559 ( 9.608 0.557 -11.777) 15.209 6.759 ( -6.162 -8.664 10.280) 14.789 7.160 ( -9.180 2.566 9.579) 13.513 7.981 ( 3.648 -1.676 0.028) 4.014 8.005 ( 0.920 0.024 -1.135) 1.461 8.373 ( 1.199 -1.577 0.534) 2.051 8.424 ( 0.373 1.137 -0.631) 1.353 8.714 ( -0.493 -0.863 2.248) 2.458 8.862 ( 2.106 3.967 -3.545) 5.721 9.248 ( -4.684 -0.554 0.577) 4.751 9.505 ( 1.550 -1.338 -1.161) 2.354 11.241 ( 3.742 -0.364 -6.159) 7.216 11.435 ( -3.587 4.526 3.545) 6.777 12.222 ( -0.526 -0.577 2.942) 3.044 12.528 ( 0.545 -1.954 0.061) 2.029 13.089 ( -2.742 -0.281 -1.753) 3.267 13.112 ( 5.615 2.183 -2.039) 6.361 14.059 ( -2.916 -5.142 3.430) 6.834 14.081 ( 2.622 1.664 0.885) 3.229 22.395 ( 0.565 1.214 0.651) 1.489 22.542 ( -0.982 -0.549 0.602) 1.276 23.496 ( -0.280 -1.263 0.342) 1.338 23.763 ( -1.767 -0.340 -4.602) 4.942 23.974 ( 0.299 6.282 0.953) 6.361 24.288 ( -0.208 -6.965 1.987) 7.246 24.975 ( -0.924 2.525 3.045) 4.062 25.531 ( -0.080 -1.483 0.827) 1.700 25.900 ( 5.646 -2.335 -9.492) 11.288 26.543 ( -1.193 1.809 8.771) 9.034 29.233 ( -1.095 -0.945 -1.704) 2.235 29.751 ( -0.432 -2.959 -6.199) 6.882 29.896 ( 0.089 -4.398 -2.860) 5.247 30.211 ( 0.290 7.952 3.787) 8.813 46.543 ( -0.980 -0.600 2.004) 2.310 46.854 ( 1.082 1.035 -1.065) 1.837 89.254 ( 1.112 3.500 -1.068) 3.825 89.388 ( -0.874 -3.369 -0.006) 3.481 89.711 ( -0.322 0.886 -1.098) 1.447 90.576 ( 4.286 -7.051 2.750) 8.698 ======================= Grid point 111 (38/196) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -13.860 13.804 -4.744) 20.128 2.009 ( -8.642 10.125 -4.345) 14.003 2.261 ( -2.489 -8.277 4.702) 9.839 2.714 ( -2.439 -2.956 -3.805) 5.400 2.923 ( -2.286 6.076 -2.828) 7.081 3.386 ( -2.519 -0.157 -3.599) 4.396 3.580 ( 1.021 5.519 0.926) 5.689 3.696 ( -8.221 4.130 -0.911) 9.245 3.928 ( -2.415 2.849 -0.163) 3.739 4.037 ( -0.579 1.259 1.967) 2.406 4.345 ( -9.808 7.916 -5.139) 13.611 5.038 ( 1.424 0.199 2.045) 2.500 5.540 ( -1.965 -3.054 6.561) 7.499 5.607 ( -8.181 -0.900 4.385) 9.325 6.327 ( 10.621 12.869 -5.107) 17.450 6.671 ( 8.843 -7.428 -10.399) 15.541 6.855 ( -1.271 -3.575 8.288) 9.116 7.089 ( -7.115 -1.159 8.745) 11.333 8.024 ( 2.836 -0.300 -0.875) 2.983 8.118 ( 8.181 -2.604 2.274) 8.882 8.326 ( -6.298 4.513 -0.941) 7.805 8.461 ( 3.239 -4.405 1.677) 5.719 8.665 ( -2.094 4.016 2.123) 5.002 8.880 ( 3.862 0.433 -5.150) 6.452 9.193 ( -3.944 -3.229 -1.364) 5.277 9.549 ( 2.441 -0.620 0.084) 2.520 11.249 ( 4.620 2.925 -4.719) 7.223 11.410 ( 3.436 1.424 0.807) 3.806 12.214 ( -3.966 0.039 3.136) 5.056 12.534 ( -2.945 -0.915 1.319) 3.354 13.037 ( -3.549 -1.530 -2.455) 4.578 13.154 ( 4.234 0.466 -1.830) 4.636 13.996 ( -6.269 1.917 3.416) 7.392 14.185 ( -0.504 -7.624 2.635) 8.082 22.414 ( 3.290 1.201 0.808) 3.594 22.562 ( 2.006 -0.712 0.315) 2.152 23.506 ( -1.197 -1.362 0.666) 1.932 23.684 ( -3.898 0.823 -3.810) 5.513 23.878 ( -2.488 5.389 -0.972) 6.015 24.400 ( -1.872 -9.580 2.832) 10.164 24.944 ( -2.652 1.290 2.370) 3.784 25.557 ( 0.951 -0.210 0.585) 1.136 25.928 ( 4.429 -1.154 -8.652) 9.788 26.566 ( -2.210 1.679 11.011) 11.355 29.228 ( -0.347 -1.976 -1.520) 2.518 29.745 ( -0.598 -5.263 -7.774) 9.407 29.922 ( -0.525 -3.875 -3.743) 5.413 30.152 ( 0.044 6.343 3.446) 7.218 46.540 ( -1.816 0.248 2.307) 2.946 46.836 ( 0.687 2.511 -1.299) 2.909 89.202 ( -4.928 -0.866 -1.783) 5.312 89.405 ( -0.215 -0.573 -0.509) 0.796 89.675 ( -4.096 -1.866 0.498) 4.529 90.742 ( -0.856 -10.571 6.229) 12.299 ======================= Grid point 112 (39/196) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -16.881 13.475 -2.803) 21.781 1.653 ( -14.023 17.591 0.360) 22.499 2.308 ( -11.067 -4.995 4.321) 12.888 2.628 ( -9.492 5.491 3.778) 11.599 2.760 ( -6.876 4.056 -0.859) 8.030 3.318 ( -7.914 2.784 0.512) 8.405 3.348 ( -6.754 8.245 -7.830) 13.225 3.529 ( -6.766 6.642 1.772) 9.645 3.924 ( 3.334 2.079 -1.638) 4.257 4.032 ( 2.431 1.621 -3.028) 4.208 4.096 ( -6.633 3.735 -7.628) 10.777 4.958 ( -7.477 3.768 0.543) 8.391 5.561 ( -2.639 -0.003 7.884) 8.314 5.629 ( 1.079 -3.077 3.997) 5.159 6.281 ( 9.977 13.312 -3.652) 17.032 6.817 ( 6.466 -8.127 -7.220) 12.648 6.912 ( 0.488 2.321 6.968) 7.360 7.096 ( -4.335 -2.309 7.681) 9.117 8.020 ( -5.557 3.129 -4.632) 7.882 8.119 ( -6.280 1.362 5.466) 8.436 8.345 ( 8.922 -4.861 -0.176) 10.162 8.592 ( 4.697 -4.864 1.101) 6.851 8.642 ( 2.060 1.816 3.835) 4.716 8.833 ( 1.127 2.017 -11.550) 11.778 9.220 ( 0.274 -4.491 1.313) 4.687 9.569 ( 1.044 1.844 -0.524) 2.183 11.252 ( 4.570 3.469 -0.523) 5.761 11.489 ( 9.366 0.836 -2.804) 9.812 12.156 ( -6.740 0.515 3.731) 7.721 12.486 ( -6.061 -0.198 1.976) 6.378 12.995 ( -2.333 -2.088 -3.270) 4.527 13.197 ( 2.930 -1.015 -1.775) 3.573 13.896 ( -8.796 0.528 3.929) 9.648 14.280 ( -5.140 -11.405 2.521) 12.761 22.472 ( 5.561 1.115 1.583) 5.889 22.613 ( 3.605 -0.599 -0.072) 3.655 23.492 ( -3.689 -0.858 -0.072) 3.788 23.605 ( -2.827 0.335 -0.303) 2.863 23.769 ( -3.824 3.303 -1.487) 5.267 24.492 ( -4.914 -10.932 0.551) 11.998 24.900 ( -4.479 0.024 1.827) 4.837 25.558 ( 1.658 2.561 -2.482) 3.933 25.941 ( 3.990 -0.943 -7.302) 8.374 26.611 ( -3.206 -0.660 15.873) 16.207 29.249 ( 0.451 -2.538 -0.733) 2.680 29.740 ( -1.945 -7.971 -12.774) 15.182 29.921 ( -1.219 -2.121 -2.719) 3.658 30.104 ( -0.766 4.355 2.558) 5.108 46.519 ( -2.446 0.862 2.478) 3.587 46.797 ( 0.634 3.443 -1.506) 3.811 89.102 ( -9.356 -2.464 -2.767) 10.062 89.390 ( 1.734 4.118 0.251) 4.475 89.665 ( -8.428 -9.970 1.838) 13.184 90.900 ( -7.667 -17.855 6.294) 20.426 ======================= Grid point 113 (40/196) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -17.378 11.495 8.641) 22.556 1.200 ( -17.717 21.021 5.179) 27.975 1.945 ( -39.586 11.265 11.684) 42.784 2.385 ( -15.305 10.080 7.084) 19.648 2.716 ( 0.875 -3.366 0.345) 3.495 3.057 ( -7.559 3.995 -5.531) 10.183 3.271 ( -1.754 7.155 -1.358) 7.491 3.329 ( -5.697 6.419 1.438) 8.702 3.849 ( -3.384 4.265 -4.771) 7.239 3.985 ( -0.947 -0.017 -2.505) 2.678 4.062 ( 9.582 0.812 -10.746) 14.420 4.827 ( -7.653 0.350 2.681) 8.116 5.552 ( 6.630 12.729 -2.104) 14.505 5.744 ( 2.359 -6.626 7.048) 9.957 6.254 ( 7.147 9.424 1.118) 11.880 6.900 ( -1.280 3.196 3.097) 4.631 6.957 ( 3.693 -5.297 -0.903) 6.520 7.115 ( -0.459 0.676 6.086) 6.141 7.763 ( -13.830 6.211 -1.386) 15.224 8.111 ( -3.941 -4.191 1.005) 5.840 8.505 ( 2.587 -5.395 -2.962) 6.676 8.650 ( 0.107 -2.300 -4.256) 4.839 8.722 ( 3.394 -0.552 -2.677) 4.358 8.823 ( 11.677 0.046 -1.524) 11.776 9.289 ( -0.891 -3.668 2.149) 4.343 9.532 ( 1.898 5.084 -1.699) 5.686 11.297 ( 3.927 1.128 3.681) 5.499 11.604 ( 12.294 2.318 -4.485) 13.291 12.073 ( -7.360 0.549 5.116) 8.980 12.398 ( -8.062 0.001 2.245) 8.369 12.977 ( 0.115 -1.722 -3.602) 3.994 13.239 ( 2.078 -2.136 -1.781) 3.472 13.790 ( -11.933 -3.494 3.512) 12.921 14.344 ( -11.658 -17.173 -1.913) 20.844 22.577 ( 7.428 0.056 4.836) 8.864 22.673 ( 3.685 -0.303 -0.014) 3.698 23.428 ( -5.645 -0.902 0.510) 5.739 23.589 ( -1.359 -0.763 1.186) 1.958 23.671 ( -3.399 2.262 -0.688) 4.141 24.510 ( -11.900 -13.467 -6.689) 19.176 24.836 ( -5.188 0.414 0.965) 5.293 25.492 ( 2.435 7.336 -7.976) 11.106 25.972 ( 4.275 -1.383 -4.536) 6.384 26.756 ( -3.275 -9.671 23.450) 25.577 29.290 ( 1.117 -2.212 0.389) 2.508 29.660 ( -7.204 -8.439 -22.589) 25.167 29.914 ( -1.669 -1.112 1.890) 2.756 30.055 ( -1.296 3.206 0.869) 3.566 46.487 ( -2.637 1.041 2.383) 3.704 46.753 ( 1.102 3.768 -1.728) 4.289 88.965 ( -9.150 -1.266 -2.594) 9.594 89.369 ( 1.683 4.056 1.436) 4.620 89.692 ( -13.336 -17.956 0.960) 22.387 91.023 ( -19.969 -30.357 -4.350) 36.595 ======================= Grid point 114 (41/196) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -14.223 13.260 19.680) 27.666 0.746 ( -18.808 16.663 16.496) 30.058 1.247 ( -46.871 12.859 25.232) 54.762 2.061 ( -16.705 9.381 6.695) 20.295 2.781 ( -0.347 -2.083 -0.690) 2.222 2.967 ( -0.986 -3.752 -2.999) 4.903 3.094 ( 2.291 8.897 4.836) 10.382 3.303 ( 0.293 1.638 5.275) 5.531 3.744 ( 0.518 1.989 -0.556) 2.129 3.984 ( 2.766 -0.650 2.826) 4.007 4.138 ( 16.156 4.347 -11.064) 20.058 4.748 ( -7.973 -0.974 3.539) 8.777 5.381 ( 6.486 23.029 -9.973) 25.920 5.989 ( 9.339 -10.847 8.973) 16.893 6.277 ( 8.013 8.036 5.943) 12.810 6.830 ( -3.589 4.466 3.557) 6.743 7.030 ( -1.491 -3.814 0.230) 4.102 7.210 ( 10.412 0.367 4.747) 11.449 7.498 ( -12.349 3.527 -0.047) 12.843 8.110 ( -3.545 -3.441 0.872) 5.017 8.427 ( -7.608 -0.911 -14.163) 16.103 8.642 ( -0.094 -0.037 -3.133) 3.135 8.813 ( 4.350 -3.060 0.391) 5.333 8.992 ( 10.828 1.995 1.215) 11.077 9.257 ( -7.829 -0.231 -0.304) 7.838 9.536 ( 7.151 2.647 -0.778) 7.665 11.375 ( -0.850 -2.163 6.032) 6.464 11.710 ( 12.032 3.190 -6.074) 13.851 12.069 ( 3.538 -1.158 9.900) 10.576 12.293 ( -8.522 -0.232 2.347) 8.842 12.988 ( 1.990 -1.304 -2.838) 3.703 13.282 ( 1.489 -2.483 -1.897) 3.461 13.682 ( -21.837 -14.837 0.066) 26.401 14.197 ( -32.609 -12.627 -25.591) 43.333 22.724 ( 2.736 -0.192 0.834) 2.867 22.829 ( 16.459 -7.751 15.261) 23.747 23.375 ( -5.154 -2.086 2.315) 6.023 23.569 ( -1.904 -0.446 -1.344) 2.373 23.628 ( -0.231 1.786 2.866) 3.385 24.247 ( -33.708 -6.683 -25.895) 43.028 24.774 ( -2.195 1.628 1.521) 3.127 25.337 ( 1.812 11.778 -8.854) 14.845 26.030 ( 4.154 -1.081 -1.035) 4.415 27.064 ( -14.351 -28.925 6.764) 32.990 29.337 ( 1.507 -0.403 1.028) 1.868 29.445 ( -1.575 -0.130 -6.792) 6.973 29.919 ( -2.438 -1.016 3.118) 4.086 30.009 ( -0.224 2.301 0.137) 2.316 46.455 ( -2.266 0.738 2.008) 3.117 46.712 ( 1.489 3.887 -2.196) 4.706 88.854 ( -4.609 -0.308 -1.595) 4.887 89.360 ( 0.207 1.784 1.778) 2.527 89.705 ( -29.478 -32.822 -4.867) 44.384 90.711 ( -58.576 -18.364 -51.735) 80.280 ======================= Grid point 116 (42/196) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 16.421 0.000 16.772) 23.472 1.318 ( 3.294 0.000 23.238) 23.471 1.693 ( 41.132 0.000 10.063) 42.345 2.238 ( 17.125 0.000 5.377) 17.950 2.777 ( 7.743 0.000 -4.984) 9.208 2.815 ( 5.860 0.000 -3.177) 6.666 3.471 ( 1.861 0.000 5.697) 5.994 3.595 ( 0.317 0.000 10.066) 10.071 3.779 ( 4.364 0.000 -4.192) 6.051 4.260 ( -5.732 -0.000 -6.064) 8.344 4.546 ( -3.733 -0.000 0.393) 3.754 4.731 ( 14.912 0.000 1.703) 15.008 5.058 ( -0.813 -0.000 -4.891) 4.958 6.032 ( -2.333 -0.000 -5.588) 6.055 6.099 ( -9.458 -0.000 8.044) 12.416 6.534 ( -17.459 -0.000 6.722) 18.708 6.970 ( -2.666 -0.000 -0.805) 2.785 7.061 ( 2.294 0.000 -0.727) 2.406 7.865 ( 11.925 0.000 7.406) 14.037 8.036 ( -0.654 -0.000 -4.028) 4.081 8.379 ( 0.658 0.000 -8.901) 8.925 8.662 ( -8.087 -0.000 -2.991) 8.622 8.812 ( -9.711 -0.000 -0.087) 9.712 9.208 ( 5.796 0.000 0.845) 5.857 9.365 ( 4.892 0.000 -0.445) 4.912 9.376 ( -3.699 -0.000 1.837) 4.130 11.261 ( -1.902 -0.000 -1.765) 2.595 11.882 ( -8.831 -0.000 7.342) 11.484 11.941 ( -1.030 -0.000 6.586) 6.666 12.215 ( 9.556 0.000 -6.248) 11.418 13.092 ( 1.126 0.000 1.663) 2.008 13.263 ( 9.491 0.000 -11.570) 14.965 13.712 ( 19.372 0.000 -11.019) 22.286 13.793 ( 5.407 0.000 -0.608) 5.441 22.640 ( -11.394 -0.000 4.891) 12.399 22.724 ( -5.806 -0.000 2.015) 6.146 23.374 ( 2.860 0.000 -0.309) 2.877 23.566 ( 4.166 0.000 1.457) 4.413 23.721 ( 4.310 0.000 1.159) 4.463 24.519 ( 2.533 0.000 -10.621) 10.919 25.164 ( 25.653 0.000 -14.078) 29.262 25.215 ( 3.473 0.000 -4.091) 5.366 25.820 ( -12.737 -0.000 5.782) 13.988 26.282 ( 1.737 0.000 9.409) 9.568 29.361 ( -1.775 -0.000 1.096) 2.086 29.819 ( -2.616 -0.000 -0.440) 2.652 29.869 ( -0.374 -0.000 -6.631) 6.641 30.701 ( 1.949 0.000 -3.641) 4.130 46.442 ( 0.249 0.000 1.231) 1.256 46.723 ( 2.486 0.000 -0.174) 2.492 89.152 ( 16.216 0.000 4.933) 16.950 89.324 ( -0.054 -0.000 -0.792) 0.794 89.644 ( 45.200 0.000 -34.197) 56.679 89.853 ( -2.262 -0.000 -4.006) 4.600 ======================= Grid point 117 (43/196) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 18.124 -6.815 12.832) 23.229 1.528 ( 4.848 -3.933 13.022) 14.441 2.330 ( 31.480 2.080 3.587) 31.752 2.528 ( 16.460 -5.108 7.424) 18.765 2.804 ( 9.047 4.414 -1.774) 10.222 3.006 ( 9.864 -8.712 -7.631) 15.213 3.523 ( -0.211 -0.066 4.326) 4.332 3.601 ( -4.956 -3.302 4.348) 7.373 3.896 ( 9.442 -0.130 1.825) 9.618 4.135 ( -7.019 -0.462 -0.801) 7.079 4.526 ( 1.717 1.794 2.347) 3.417 4.975 ( 11.792 0.188 7.135) 13.784 5.019 ( 5.206 0.061 -13.245) 14.231 5.870 ( -3.784 9.388 4.529) 11.089 6.115 ( -2.610 -8.741 -9.001) 12.816 6.393 ( -17.377 -9.136 9.806) 21.945 6.936 ( 3.379 5.174 -3.082) 6.906 7.119 ( 4.514 -1.726 0.577) 4.867 7.968 ( 0.349 2.049 -4.900) 5.322 8.104 ( 9.657 -2.780 5.013) 11.230 8.373 ( 3.278 -1.591 -5.754) 6.811 8.462 ( -12.535 3.640 -0.436) 13.060 8.652 ( -9.145 2.498 -0.707) 9.506 9.237 ( -0.759 3.430 4.729) 5.891 9.330 ( -1.040 2.115 -0.791) 2.486 9.437 ( 2.219 -3.015 -2.080) 4.283 11.221 ( -2.939 -0.968 -0.507) 3.135 11.777 ( -8.743 2.787 6.403) 11.190 12.029 ( 3.942 -2.334 3.862) 5.992 12.313 ( 8.034 -1.316 -5.432) 9.787 13.111 ( 0.407 0.362 0.854) 1.012 13.257 ( 3.628 3.854 -6.280) 8.213 13.807 ( 9.673 3.735 -2.956) 10.782 13.958 ( 7.085 -6.711 -4.173) 10.614 22.525 ( -7.285 1.062 3.155) 8.009 22.642 ( -6.507 -0.117 0.816) 6.559 23.418 ( 2.031 -1.335 -0.778) 2.552 23.653 ( 3.764 -1.863 2.149) 4.718 23.808 ( 5.993 0.381 3.178) 6.794 24.448 ( -0.184 1.974 -8.659) 8.883 25.149 ( 8.168 10.645 -1.590) 13.512 25.448 ( 8.104 -8.434 -9.316) 14.953 25.717 ( -2.116 0.489 -1.671) 2.740 26.387 ( -0.205 -2.663 10.841) 11.165 29.325 ( -2.534 0.680 -0.626) 2.697 29.786 ( -1.349 -0.003 -0.632) 1.489 29.815 ( -0.971 -1.079 -7.278) 7.421 30.628 ( -1.969 7.228 0.762) 7.530 46.464 ( 0.929 -0.674 1.122) 1.605 46.771 ( 3.082 -0.944 0.070) 3.224 89.300 ( -1.549 0.294 2.065) 2.598 89.446 ( 17.434 1.898 6.183) 18.595 89.673 ( 5.899 10.870 -9.276) 15.460 90.049 ( 18.243 -10.860 -22.234) 30.742 ======================= Grid point 118 (44/196) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 6.522 -5.884 5.955) 10.612 1.839 ( 16.885 -5.693 7.259) 19.241 2.477 ( 7.753 11.788 2.680) 14.361 2.832 ( 4.972 0.190 -5.239) 7.225 3.052 ( 18.933 -8.555 8.463) 22.434 3.111 ( 7.465 0.059 -12.206) 14.308 3.504 ( -4.950 -1.456 3.041) 5.989 3.699 ( 5.737 -5.785 2.762) 8.602 4.007 ( 0.757 -0.592 3.268) 3.407 4.097 ( 0.435 -0.500 3.672) 3.732 4.560 ( 5.422 3.585 -0.222) 6.504 4.945 ( -5.309 -0.343 -0.037) 5.320 5.219 ( 15.729 -0.644 -3.800) 16.194 5.785 ( -2.185 5.312 7.463) 9.417 6.114 ( 2.370 -8.297 -15.700) 17.916 6.383 ( -14.972 -13.328 12.362) 23.550 6.886 ( 7.057 10.191 -5.271) 13.470 7.225 ( 4.518 -0.917 3.373) 5.713 7.922 ( 0.807 0.415 -4.318) 4.412 8.180 ( -11.988 4.595 0.832) 12.865 8.308 ( 7.588 -1.552 2.473) 8.130 8.457 ( 0.630 -2.174 -2.848) 3.638 8.513 ( -1.190 0.636 0.276) 1.377 9.165 ( -2.879 6.648 0.990) 7.312 9.302 ( -0.824 1.273 1.745) 2.312 9.463 ( 0.051 -1.960 -3.216) 3.766 11.199 ( -0.998 -1.291 -1.250) 2.055 11.660 ( -7.378 3.748 5.277) 9.815 12.140 ( 3.760 -1.529 3.518) 5.371 12.397 ( 4.922 -2.668 -4.164) 6.977 13.108 ( -0.405 0.255 -0.461) 0.664 13.206 ( 0.134 3.114 -3.052) 4.363 13.881 ( 5.620 0.038 -1.666) 5.862 14.071 ( 2.302 -3.362 0.056) 4.075 22.451 ( -3.814 1.045 2.220) 4.535 22.565 ( -4.434 -0.170 0.134) 4.439 23.448 ( 0.644 -1.369 -0.794) 1.709 23.726 ( 1.262 -2.649 -0.857) 3.057 23.931 ( 5.251 -0.308 7.400) 9.079 24.346 ( -1.512 2.887 -8.200) 8.823 25.137 ( 5.476 8.562 2.215) 10.402 25.499 ( -0.950 -1.773 -2.593) 3.282 25.745 ( 7.275 -3.277 -9.155) 12.144 26.482 ( -2.114 -2.595 10.502) 11.022 29.270 ( -2.433 0.483 -2.198) 3.314 29.746 ( -1.080 -0.910 -7.485) 7.617 29.792 ( -0.584 -1.749 -0.394) 1.885 30.513 ( -2.144 8.056 2.551) 8.718 46.498 ( 1.132 -0.843 1.181) 1.840 46.829 ( 3.240 -0.550 0.120) 3.289 89.288 ( -3.467 -1.437 2.695) 4.621 89.531 ( 2.987 9.871 -5.565) 11.719 89.696 ( 10.818 1.949 3.181) 11.443 90.244 ( 11.058 -7.988 -11.975) 18.151 ======================= Grid point 119 (45/196) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 7.675 -5.269 1.463) 9.424 2.140 ( 13.064 -1.594 2.288) 13.358 2.378 ( -2.003 14.278 1.388) 14.484 2.767 ( -1.376 2.427 -9.695) 10.088 3.106 ( 6.075 3.442 -9.076) 11.451 3.354 ( 5.325 -2.811 5.837) 8.386 3.493 ( -3.392 -3.531 2.153) 5.349 3.885 ( 10.947 0.414 -0.644) 10.974 4.023 ( -2.901 -2.509 3.408) 5.131 4.125 ( -0.250 4.236 4.870) 6.460 4.598 ( 5.400 0.896 -4.078) 6.826 4.874 ( -6.329 -0.499 5.019) 8.093 5.392 ( 7.323 -3.378 -2.081) 8.329 5.741 ( -3.035 4.258 4.956) 7.204 6.182 ( 3.920 -10.654 -12.579) 16.944 6.460 ( -8.446 -13.510 11.719) 19.778 6.829 ( 11.176 13.207 -6.558) 18.502 7.264 ( -2.998 3.965 6.778) 8.405 7.934 ( 3.349 -1.098 -1.432) 3.804 8.017 ( -3.623 0.666 -0.504) 3.718 8.385 ( -1.246 1.977 -1.672) 2.874 8.433 ( 5.012 -0.384 0.316) 5.036 8.626 ( 4.754 -4.385 2.209) 6.834 9.031 ( -2.952 7.499 -0.942) 8.114 9.270 ( -3.119 2.020 0.881) 3.819 9.466 ( 1.325 -1.839 -2.626) 3.469 11.212 ( 2.803 -1.405 -2.985) 4.329 11.554 ( -4.646 4.632 4.468) 7.937 12.212 ( 0.956 -0.281 3.156) 3.309 12.459 ( 1.527 -3.423 -2.188) 4.340 13.079 ( -3.077 -0.248 -1.832) 3.590 13.155 ( -0.993 1.020 -0.531) 1.519 13.933 ( -0.040 -3.368 -1.670) 3.759 14.117 ( -0.180 -0.164 3.214) 3.223 22.422 ( -0.469 0.896 1.861) 2.118 22.528 ( -1.088 -0.480 -0.131) 1.196 23.461 ( -0.499 -1.505 -0.380) 1.631 23.740 ( -0.954 -1.411 -2.799) 3.277 24.051 ( 1.689 -0.631 7.717) 7.925 24.220 ( -3.320 1.871 -6.913) 7.893 25.114 ( 2.202 8.048 3.805) 9.170 25.501 ( 1.629 -0.992 -1.210) 2.258 25.826 ( 6.596 -3.492 -9.182) 11.833 26.538 ( -3.783 -1.822 9.754) 10.619 29.219 ( -1.776 -0.270 -2.843) 3.363 29.687 ( -1.182 -2.065 -8.865) 9.179 29.815 ( -0.473 -2.291 1.200) 2.629 30.409 ( -1.496 7.551 2.693) 8.155 46.530 ( 0.783 -0.444 1.371) 1.640 46.875 ( 2.963 0.652 -0.062) 3.035 89.263 ( -6.209 -1.730 2.924) 7.077 89.419 ( -0.619 3.883 -4.483) 5.964 89.774 ( 4.991 5.095 -1.248) 7.240 90.413 ( 5.905 -6.819 -1.205) 9.101 ======================= Grid point 120 (46/196) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -7.452 6.798 -6.715) 12.117 2.144 ( 5.483 6.025 1.719) 8.326 2.274 ( 9.176 8.999 -0.994) 12.891 2.665 ( -2.964 0.039 -4.203) 5.143 3.060 ( 2.273 4.883 -6.696) 8.594 3.394 ( -2.497 0.590 0.038) 2.566 3.535 ( -1.354 -4.113 4.597) 6.315 3.912 ( -2.193 7.164 1.336) 7.610 4.012 ( 2.246 4.291 -3.464) 5.955 4.082 ( -1.436 3.056 3.293) 4.716 4.524 ( -7.424 5.575 -2.569) 9.633 4.946 ( 4.727 -6.258 3.049) 8.414 5.462 ( -4.624 -2.427 5.078) 7.285 5.666 ( -1.940 4.465 1.669) 5.146 6.290 ( 2.124 -12.763 -8.758) 15.624 6.635 ( -0.837 -11.459 10.338) 15.456 6.796 ( 14.264 13.627 -7.925) 21.259 7.175 ( -5.235 6.227 7.893) 11.335 7.992 ( 1.414 -2.771 -0.946) 3.252 8.063 ( 7.604 -1.362 0.312) 7.731 8.378 ( 1.404 -1.523 0.439) 2.117 8.435 ( -1.859 3.431 -1.166) 4.073 8.742 ( 2.759 0.470 2.737) 3.915 8.918 ( 0.468 3.810 -0.835) 3.929 9.168 ( -5.807 1.619 -2.753) 6.628 9.521 ( 4.034 -1.692 -0.547) 4.408 11.271 ( 7.137 -0.780 -5.150) 8.836 11.488 ( -0.541 4.503 4.354) 6.287 12.219 ( -2.541 0.411 2.547) 3.621 12.487 ( -2.288 -2.944 -0.048) 3.729 13.005 ( -5.353 -0.942 -2.188) 5.859 13.147 ( -0.693 -1.191 0.285) 1.407 13.926 ( -7.775 -5.240 0.101) 9.376 14.128 ( -0.384 0.792 2.783) 2.919 22.440 ( 2.556 0.855 1.842) 3.264 22.543 ( 2.096 -0.776 -0.366) 2.265 23.467 ( -1.368 -1.760 -0.018) 2.229 23.696 ( -2.830 0.238 -3.034) 4.156 24.016 ( -3.876 5.145 -3.281) 7.229 24.196 ( -3.140 -6.228 4.104) 8.093 25.062 ( 0.454 7.381 3.418) 8.147 25.546 ( 3.325 -0.460 0.037) 3.357 25.884 ( 5.204 -2.481 -8.734) 10.465 26.561 ( -5.308 -1.682 9.429) 10.951 29.189 ( -0.889 -1.218 -2.430) 2.860 29.637 ( -1.381 -3.297 -9.315) 9.977 29.844 ( -1.011 -2.512 1.451) 3.072 30.321 ( -0.856 6.901 2.168) 7.284 46.548 ( 0.038 0.340 1.629) 1.665 46.895 ( 2.413 2.186 -0.450) 3.287 89.178 ( -8.873 -0.818 0.499) 8.924 89.369 ( -2.682 -2.028 -0.735) 3.441 89.720 ( -0.981 5.278 -2.650) 5.987 90.552 ( 1.397 -5.789 3.008) 6.672 ======================= Grid point 121 (47/196) ======================= q-point: (-0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -12.457 16.417 -5.409) 21.307 2.136 ( 1.170 20.556 -1.580) 20.650 2.260 ( 4.790 1.435 1.211) 5.145 2.621 ( -3.562 -2.664 -0.173) 4.451 2.954 ( -1.806 7.115 -3.952) 8.337 3.328 ( -3.841 0.715 -0.500) 3.939 3.555 ( -7.729 0.860 1.830) 7.989 3.690 ( -8.710 10.960 3.783) 14.502 3.991 ( 7.317 4.281 -6.689) 10.799 4.045 ( -1.572 1.717 0.380) 2.359 4.295 ( -7.187 8.541 -3.470) 11.689 5.008 ( -7.840 0.442 1.094) 7.929 5.486 ( -0.141 -4.805 9.515) 10.660 5.624 ( 0.100 2.444 1.753) 3.010 6.434 ( 4.036 -10.189 -4.557) 11.869 6.736 ( 9.487 6.978 -9.188) 14.937 6.878 ( 6.909 -2.502 6.549) 9.843 7.116 ( -1.222 4.450 7.295) 8.632 8.016 ( -1.210 -1.314 -1.670) 2.445 8.214 ( 6.985 -2.992 1.516) 7.749 8.292 ( -7.524 6.647 0.739) 10.067 8.463 ( 3.047 -4.819 1.204) 5.828 8.720 ( 1.380 4.294 1.175) 4.661 8.897 ( -0.175 3.181 -6.960) 7.654 9.111 ( -0.225 -3.753 1.883) 4.205 9.588 ( 3.408 -0.251 -0.623) 3.474 11.340 ( 8.176 2.611 -5.179) 10.024 11.511 ( 5.689 1.759 3.218) 6.768 12.171 ( -5.383 0.705 2.435) 5.950 12.460 ( -6.380 -2.107 1.361) 6.855 12.934 ( -4.721 -2.522 -2.337) 5.841 13.160 ( -0.846 -2.111 0.463) 2.321 13.838 ( -13.919 -4.837 2.547) 14.954 14.127 ( -2.102 -1.426 0.390) 2.570 22.499 ( 4.972 0.904 2.007) 5.437 22.595 ( 3.923 -0.851 -0.577) 4.055 23.459 ( -2.667 -1.591 -0.381) 3.129 23.624 ( -2.828 1.174 -1.687) 3.496 23.861 ( -5.398 3.855 -3.455) 7.479 24.251 ( -6.194 -7.699 4.349) 10.796 24.999 ( -0.299 6.704 2.916) 7.316 25.596 ( 3.877 0.871 -0.685) 4.032 25.913 ( 4.145 -1.468 -8.311) 9.402 26.566 ( -7.134 -2.704 9.932) 12.524 29.190 ( 0.148 -2.110 -1.196) 2.430 29.589 ( -2.241 -4.210 -9.992) 11.072 29.865 ( -1.666 -2.251 1.467) 3.162 30.244 ( -0.547 6.257 1.393) 6.433 46.545 ( -0.816 1.198 1.872) 2.367 46.885 ( 1.896 3.535 -0.949) 4.123 89.053 ( -9.472 -1.291 -0.771) 9.591 89.351 ( -8.836 -6.932 1.529) 11.335 89.603 ( -2.770 5.616 -1.791) 6.513 90.634 ( -2.832 -5.875 2.644) 7.038 ======================= Grid point 122 (48/196) ======================= q-point: (-0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -11.429 17.490 2.195) 21.008 1.776 ( -11.750 24.417 3.579) 27.332 2.212 ( -5.305 10.606 0.132) 11.860 2.629 ( 0.111 1.604 4.897) 5.154 2.762 ( -6.170 10.550 0.313) 12.226 3.242 ( -13.206 11.204 -3.655) 17.699 3.289 ( -1.357 -0.719 0.883) 1.771 3.573 ( -2.725 7.691 1.723) 8.340 4.000 ( 0.755 3.678 0.961) 3.875 4.008 ( 0.833 2.503 -5.570) 6.163 4.095 ( 1.426 5.643 -6.387) 8.641 4.822 ( -14.736 0.508 4.830) 15.516 5.626 ( -1.371 -0.876 3.554) 3.909 5.685 ( 11.891 -3.093 3.014) 12.651 6.538 ( 7.899 6.196 -2.362) 10.313 6.740 ( 6.266 -3.815 -11.426) 13.578 7.023 ( 4.793 2.012 6.065) 7.988 7.119 ( -0.176 1.362 6.092) 6.244 7.940 ( -6.949 4.085 -3.394) 8.746 8.065 ( -10.368 4.307 4.795) 12.208 8.384 ( 6.186 -4.711 -0.602) 7.798 8.555 ( 0.222 -4.729 -1.022) 4.843 8.737 ( -0.554 2.074 0.123) 2.150 8.826 ( 9.591 0.227 -6.530) 11.606 9.199 ( 0.779 -3.439 3.433) 4.922 9.607 ( 1.431 1.225 -1.811) 2.613 11.373 ( 6.052 4.475 -1.453) 7.665 11.636 ( 10.790 0.492 -0.372) 10.808 12.090 ( -6.799 0.814 3.431) 7.659 12.378 ( -9.536 -1.835 1.913) 9.897 12.900 ( -3.493 -4.207 -2.335) 5.946 13.178 ( -1.264 -2.420 0.857) 2.862 13.681 ( -18.340 -4.268 3.318) 19.120 14.104 ( -4.691 -3.760 -1.993) 6.334 22.587 ( 5.927 0.575 2.700) 6.539 22.660 ( 3.969 -0.691 -0.322) 4.042 23.417 ( -3.590 -0.143 -0.739) 3.668 23.576 ( -2.130 0.020 -0.328) 2.155 23.734 ( -3.775 2.614 -1.166) 4.737 24.248 ( -11.024 -7.635 2.003) 13.559 24.931 ( -0.940 6.148 2.480) 6.696 25.618 ( 5.050 3.447 -4.600) 7.651 25.933 ( 3.700 -1.699 -6.332) 7.528 26.569 ( -9.983 -5.765 11.191) 16.066 29.227 ( 1.273 -2.637 0.509) 2.972 29.521 ( -3.744 -3.347 -10.368) 11.520 29.875 ( -1.985 -1.898 1.926) 3.354 30.170 ( -0.471 5.608 0.495) 5.650 46.523 ( -1.468 1.824 1.993) 3.075 46.854 ( 1.699 4.255 -1.497) 4.820 88.931 ( -8.298 -1.270 -1.102) 8.467 89.272 ( -21.080 -12.576 1.874) 24.618 89.506 ( 0.968 6.556 0.346) 6.636 90.645 ( -6.869 -5.999 -1.212) 9.200 ======================= Grid point 123 (49/196) ======================= q-point: (-0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -7.355 15.952 15.863) 23.669 1.291 ( -20.077 23.094 10.316) 32.292 1.838 ( -11.723 30.014 5.081) 32.620 2.416 ( -11.732 16.951 7.873) 22.067 2.775 ( 8.167 -0.124 0.657) 8.195 2.952 ( -8.043 4.823 -6.151) 11.215 3.320 ( 1.956 0.231 5.166) 5.529 3.402 ( -3.460 12.163 1.398) 12.722 3.859 ( -1.106 7.456 -3.168) 8.177 3.993 ( 1.840 1.644 1.909) 3.120 4.153 ( 10.332 -1.785 -6.982) 12.597 4.689 ( -11.622 -2.878 6.003) 13.394 5.644 ( -1.864 -1.994 1.525) 3.127 5.902 ( 15.150 -0.478 -7.817) 17.055 6.493 ( 8.096 12.899 -3.829) 15.704 6.825 ( -1.073 -9.376 -2.679) 9.810 7.022 ( 0.847 6.831 1.941) 7.152 7.199 ( 4.729 -1.769 4.802) 6.968 7.679 ( -10.697 10.545 1.168) 15.066 8.009 ( -2.501 -3.814 1.221) 4.721 8.434 ( -1.820 1.148 -3.313) 3.950 8.592 ( 1.414 -4.050 -3.211) 5.358 8.737 ( 2.933 -2.659 -1.466) 4.221 9.009 ( 14.531 -0.254 0.024) 14.533 9.229 ( -3.419 -1.760 0.166) 3.849 9.584 ( -0.922 0.501 -2.218) 2.453 11.386 ( 1.948 3.348 1.283) 4.080 11.770 ( 10.009 1.167 -4.568) 11.064 12.041 ( -3.416 -0.715 8.447) 9.140 12.267 ( -10.101 -1.986 1.549) 10.410 12.887 ( -6.702 -6.296 -1.054) 9.255 13.178 ( -5.952 -2.634 1.492) 6.677 13.469 ( -16.601 -1.412 2.230) 16.810 14.049 ( -5.020 -2.730 -5.400) 7.862 22.698 ( 4.199 -2.214 5.625) 7.360 22.716 ( 2.298 -0.595 0.590) 2.446 23.372 ( -1.096 1.305 0.507) 1.778 23.543 ( -2.420 -1.197 0.118) 2.703 23.683 ( 0.519 2.353 1.198) 2.691 24.125 ( -15.596 -3.702 -2.460) 16.217 24.859 ( -1.342 5.259 1.910) 5.754 25.583 ( 6.914 7.356 -11.108) 15.010 25.981 ( 3.274 -2.679 -2.254) 4.794 26.570 ( -16.233 -11.201 10.408) 22.300 29.294 ( 1.453 -2.702 1.431) 3.385 29.442 ( 0.864 -0.103 -3.507) 3.613 29.883 ( -2.146 -1.770 2.196) 3.544 30.101 ( -0.289 4.801 -0.141) 4.811 46.490 ( -1.655 2.013 1.912) 3.232 46.813 ( 1.733 4.183 -2.258) 5.060 88.840 ( -4.705 -0.876 -0.834) 4.858 89.066 ( -31.219 -13.279 1.557) 33.962 89.461 ( 0.893 5.377 2.184) 5.872 90.541 ( -9.474 -1.477 -9.666) 13.615 ======================= Grid point 124 (50/196) ======================= q-point: (-0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -5.941 20.647 17.643) 27.800 0.925 ( -3.340 13.842 23.896) 27.817 1.345 ( -4.391 36.330 15.976) 39.930 2.122 ( -5.367 16.690 7.164) 18.939 2.750 ( -2.782 2.647 -6.356) 7.427 2.914 ( 3.159 -0.161 -1.536) 3.516 3.268 ( 3.051 6.621 4.618) 8.629 3.420 ( 4.196 2.199 8.238) 9.503 3.800 ( 2.425 1.731 -1.320) 3.259 4.089 ( 10.204 -2.643 3.951) 11.257 4.307 ( 11.282 -4.041 -3.623) 12.520 4.612 ( -10.816 -3.245 6.273) 12.918 5.573 ( -0.265 9.489 -13.808) 16.757 5.952 ( -5.068 -6.750 -5.293) 9.964 6.456 ( 4.103 5.662 -5.798) 9.083 6.872 ( -2.359 -1.647 3.914) 4.858 6.982 ( 0.123 0.106 -2.292) 2.297 7.304 ( -4.962 -2.479 2.251) 5.986 7.492 ( 3.439 7.767 5.703) 10.231 8.064 ( -0.280 -3.301 1.847) 3.794 8.392 ( 8.177 1.259 -1.424) 8.395 8.613 ( 1.154 -0.774 -5.787) 5.952 8.822 ( 2.349 -3.802 1.085) 4.599 9.144 ( -5.825 1.237 -4.467) 7.444 9.205 ( 13.733 2.209 -1.395) 13.980 9.528 ( -7.550 -2.309 -0.481) 7.910 11.347 ( -2.316 2.589 -0.557) 3.518 11.833 ( 5.769 0.360 -2.678) 6.371 12.091 ( -13.511 -7.067 8.343) 17.381 12.229 ( 1.571 -2.085 4.376) 5.096 12.788 ( -10.406 -2.840 1.649) 10.912 13.077 ( -2.922 2.380 -0.199) 3.774 13.378 ( 1.928 1.559 2.485) 3.510 13.944 ( -0.374 4.846 -8.773) 10.029 22.746 ( -1.338 -1.587 1.900) 2.814 22.838 ( -4.734 -9.263 8.885) 13.681 23.353 ( 0.200 1.994 1.301) 2.390 23.585 ( 2.947 -1.636 3.434) 4.812 23.657 ( -3.953 3.324 -0.340) 5.176 23.962 ( 9.421 2.134 -4.672) 10.731 24.797 ( -1.110 3.574 1.585) 4.064 25.481 ( 8.857 12.109 -15.733) 21.740 26.041 ( -1.809 -3.949 2.421) 4.972 26.444 ( -24.500 -5.810 4.676) 25.610 29.327 ( -0.184 -1.909 1.478) 2.421 29.694 ( 22.391 -10.574 8.187) 26.081 29.883 ( -2.409 -1.372 1.360) 3.088 30.064 ( 2.799 1.480 2.771) 4.208 46.458 ( -1.260 1.664 1.694) 2.688 46.764 ( 1.004 4.070 -3.003) 5.157 88.752 ( -15.606 -2.033 2.296) 15.905 88.833 ( 1.386 -0.072 -0.126) 1.393 89.420 ( -0.839 4.200 2.875) 5.159 90.273 ( -3.820 11.397 -15.994) 20.007 ======================= Grid point 127 (51/196) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 8.500 0.000 4.970) 9.846 1.770 ( 19.235 0.000 13.196) 23.327 2.685 ( 6.873 0.000 4.205) 8.058 2.869 ( 30.118 0.000 3.033) 30.270 2.906 ( 4.780 0.000 -11.672) 12.613 3.070 ( 12.261 0.000 -1.789) 12.390 3.502 ( -6.421 -0.000 4.330) 7.745 3.567 ( 2.416 0.000 1.768) 2.994 4.045 ( -4.793 -0.000 1.452) 5.008 4.058 ( 8.435 0.000 4.553) 9.585 4.623 ( 8.431 0.000 0.671) 8.457 4.937 ( -4.832 -0.000 -0.589) 4.868 5.220 ( 13.844 0.000 -5.980) 15.081 5.927 ( -0.230 -0.000 -6.619) 6.623 5.963 ( -4.998 -0.000 6.873) 8.498 6.167 ( -11.819 -0.000 5.632) 13.092 7.040 ( 7.803 0.000 -2.808) 8.293 7.188 ( 6.881 0.000 0.143) 6.882 7.932 ( 0.496 0.000 -6.023) 6.043 8.238 ( -7.155 -0.000 3.034) 7.772 8.305 ( 0.310 0.000 3.529) 3.543 8.395 ( 4.978 0.000 -3.544) 6.111 8.545 ( -5.585 -0.000 -1.195) 5.711 9.254 ( -4.966 -0.000 5.444) 7.369 9.332 ( 0.917 0.000 -2.102) 2.294 9.422 ( 1.053 0.000 -3.522) 3.676 11.182 ( -1.294 -0.000 -0.001) 1.294 11.712 ( -8.469 -0.000 6.811) 10.868 12.115 ( 5.474 0.000 3.050) 6.267 12.362 ( 5.028 0.000 -5.250) 7.269 13.111 ( -0.874 -0.000 -0.753) 1.154 13.247 ( -3.121 -0.000 -1.993) 3.703 13.919 ( 5.531 0.000 -8.909) 10.487 13.987 ( 4.515 0.000 5.068) 6.788 22.464 ( -4.803 -0.000 3.101) 5.717 22.563 ( -4.237 -0.000 -0.414) 4.257 23.427 ( 0.883 0.000 -0.714) 1.136 23.691 ( 1.802 0.000 0.362) 1.838 23.930 ( 4.955 0.000 6.462) 8.143 24.380 ( -2.001 -0.000 -8.347) 8.584 25.300 ( 6.858 0.000 -3.990) 7.934 25.437 ( 1.873 0.000 -1.557) 2.436 25.706 ( 4.706 0.000 -6.768) 8.243 26.437 ( -2.517 -0.000 12.533) 12.783 29.277 ( -2.814 -0.000 -2.647) 3.864 29.733 ( -1.447 -0.000 -8.184) 8.311 29.773 ( -0.538 -0.000 0.479) 0.720 30.622 ( -4.236 -0.000 0.974) 4.347 46.487 ( 1.662 0.000 0.987) 1.933 46.821 ( 3.965 0.000 0.540) 4.002 89.270 ( -3.764 -0.000 2.668) 4.614 89.630 ( -4.166 -0.000 -4.999) 6.507 89.818 ( 14.182 0.000 11.214) 18.080 90.080 ( 16.073 0.000 -24.041) 28.919 ======================= Grid point 128 (52/196) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 11.312 -2.360 -0.157) 11.556 2.114 ( 14.837 -0.312 10.433) 18.141 2.706 ( 0.674 9.203 2.582) 9.582 2.834 ( 1.629 2.337 -13.873) 14.162 3.178 ( 11.730 1.563 -9.072) 14.911 3.274 ( 11.977 -2.529 6.468) 13.845 3.451 ( -3.425 1.785 4.843) 6.194 3.722 ( 8.952 -10.416 1.374) 13.803 4.005 ( -1.734 0.543 1.742) 2.517 4.189 ( 4.557 1.109 4.746) 6.672 4.730 ( 10.644 6.864 -3.754) 13.210 4.857 ( -7.451 -0.989 3.092) 8.128 5.310 ( 4.974 -2.803 -6.079) 8.340 5.850 ( -5.937 2.104 5.176) 8.153 5.963 ( -1.013 -3.220 -4.064) 5.283 6.171 ( -2.125 -8.929 5.826) 10.872 7.096 ( 9.959 7.364 -4.032) 13.026 7.304 ( 5.021 -0.621 2.191) 5.513 7.924 ( 3.089 -0.089 -3.104) 4.380 8.043 ( -11.796 1.060 1.653) 11.959 8.422 ( 4.897 0.111 3.052) 5.771 8.428 ( 2.247 0.576 -5.973) 6.408 8.540 ( 4.730 -1.982 3.106) 5.996 9.173 ( -6.339 3.329 1.856) 7.397 9.330 ( 1.176 2.607 -0.565) 2.915 9.414 ( 0.324 -2.344 -3.723) 4.411 11.187 ( 1.864 -0.551 -0.604) 2.035 11.641 ( -5.718 2.047 6.183) 8.667 12.207 ( 2.864 -0.140 3.730) 4.705 12.386 ( 1.857 -1.925 -4.794) 5.489 13.078 ( -2.167 0.062 -2.236) 3.115 13.164 ( -7.150 -0.089 1.235) 7.256 13.898 ( 0.153 -0.037 -6.454) 6.456 14.087 ( 1.406 -1.427 5.619) 5.965 22.437 ( -1.606 0.285 2.914) 3.340 22.520 ( -0.936 -0.137 -0.929) 1.326 23.430 ( -0.529 -0.798 -0.444) 1.055 23.709 ( 0.343 -0.748 -1.075) 1.354 24.029 ( 1.003 -0.442 7.984) 8.059 24.271 ( -3.704 1.217 -8.502) 9.353 25.322 ( 4.625 7.709 0.376) 8.998 25.463 ( 1.993 -2.818 -1.871) 3.926 25.750 ( 6.122 -2.008 -7.566) 9.938 26.485 ( -4.660 -1.725 11.603) 12.622 29.215 ( -2.275 -0.040 -3.557) 4.222 29.654 ( -1.671 -0.632 -8.311) 8.500 29.779 ( -0.299 -0.713 1.393) 1.593 30.549 ( -3.565 3.230 1.305) 4.984 46.522 ( 1.885 -0.162 1.001) 2.141 46.885 ( 4.148 0.203 0.574) 4.192 89.233 ( -5.319 -0.618 3.668) 6.491 89.480 ( -8.069 1.038 -5.458) 9.797 89.971 ( 9.354 10.074 -3.499) 14.186 90.219 ( 8.473 -9.194 -1.806) 12.632 ======================= Grid point 129 (53/196) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 11.155 -1.903 -3.904) 11.971 2.327 ( 6.351 2.707 6.020) 9.160 2.545 ( -0.001 11.789 -3.392) 12.267 2.728 ( -0.530 3.795 -6.764) 7.774 3.219 ( 9.045 7.451 -7.154) 13.730 3.344 ( -6.059 -2.466 0.558) 6.565 3.492 ( 3.297 0.570 7.069) 7.821 3.992 ( -1.249 -0.703 1.060) 1.782 4.007 ( 9.444 -5.920 0.166) 11.148 4.201 ( -2.016 5.160 3.564) 6.588 4.667 ( -1.774 6.697 -5.240) 8.687 4.836 ( 2.314 -0.103 2.807) 3.640 5.397 ( 3.044 -4.241 -1.532) 5.441 5.772 ( -5.565 1.394 2.752) 6.362 5.967 ( -3.966 -8.824 -3.312) 10.225 6.362 ( 5.007 -9.930 7.059) 13.172 7.105 ( 10.853 10.217 -4.977) 15.715 7.326 ( -1.190 5.057 4.533) 6.895 7.934 ( -0.919 -1.329 -0.058) 1.617 8.013 ( 5.104 -2.695 -0.522) 5.796 8.392 ( 0.906 2.087 -2.638) 3.484 8.478 ( 1.392 0.221 -1.843) 2.321 8.706 ( 9.171 -2.133 4.574) 10.468 9.037 ( -6.611 4.413 1.060) 8.019 9.250 ( -4.043 4.196 -3.573) 6.835 9.469 ( 4.827 -2.417 -1.022) 5.494 11.245 ( 6.201 -0.937 -1.943) 6.566 11.593 ( -1.760 3.462 5.513) 6.744 12.237 ( -1.377 1.024 2.788) 3.274 12.399 ( -1.402 -3.730 -2.394) 4.649 12.998 ( -6.601 0.516 -1.231) 6.735 13.097 ( -5.012 -2.693 1.276) 5.831 13.835 ( -4.926 -1.987 -4.813) 7.168 14.135 ( -1.775 -0.337 5.253) 5.555 22.454 ( 1.508 0.252 2.828) 3.215 22.527 ( 2.316 -0.444 -1.223) 2.656 23.427 ( -1.317 -1.260 0.029) 1.823 23.700 ( -0.954 0.074 -1.717) 1.965 24.084 ( -2.755 -1.327 7.134) 7.762 24.122 ( -5.805 1.554 -7.669) 9.743 25.268 ( 1.119 8.452 2.341) 8.842 25.536 ( 5.937 -0.589 -1.475) 6.146 25.811 ( 4.917 -3.128 -6.976) 9.089 26.505 ( -6.579 -2.387 9.709) 11.969 29.167 ( -1.365 -0.559 -3.176) 3.502 29.583 ( -1.698 -1.239 -7.964) 8.236 29.797 ( -0.700 -1.318 2.012) 2.505 30.467 ( -2.305 4.484 0.969) 5.134 46.555 ( 1.531 0.243 1.140) 1.924 46.938 ( 3.730 1.238 0.224) 3.937 89.167 ( -8.486 -0.095 3.405) 9.144 89.325 ( -8.432 -1.396 -3.655) 9.295 89.894 ( 2.299 7.849 -7.068) 10.810 90.421 ( 4.305 -5.164 5.109) 8.444 ======================= Grid point 130 (54/196) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -4.692 10.881 -6.584) 13.556 2.345 ( 11.154 5.762 -1.026) 12.596 2.535 ( 4.855 0.618 0.848) 4.967 2.599 ( -4.007 9.473 -0.479) 10.296 3.122 ( 0.941 9.852 -5.944) 11.544 3.310 ( -5.276 -3.759 0.196) 6.481 3.562 ( 2.529 1.476 4.542) 5.405 3.908 ( -8.311 6.827 3.457) 11.298 4.105 ( -2.088 2.669 0.133) 3.391 4.118 ( 3.026 2.811 -2.025) 4.600 4.490 ( -3.677 8.258 -4.855) 10.261 4.958 ( 5.135 -3.880 -1.192) 6.546 5.410 ( -5.924 -0.593 7.385) 9.486 5.713 ( -0.475 3.080 0.257) 3.126 6.063 ( 0.624 -15.914 -4.263) 16.487 6.624 ( 6.638 -8.745 7.601) 13.354 7.096 ( 11.161 10.736 -5.510) 16.438 7.266 ( 0.259 7.117 4.204) 8.270 7.969 ( 0.994 -2.256 -1.121) 2.708 8.131 ( 4.908 -3.446 0.497) 6.017 8.378 ( 0.367 -0.298 -0.426) 0.637 8.445 ( -0.393 3.091 -1.631) 3.517 8.832 ( 1.840 4.175 0.636) 4.607 8.956 ( 1.259 0.643 2.045) 2.486 9.089 ( -5.374 3.018 -3.071) 6.886 9.563 ( 4.501 -1.597 -0.697) 4.827 11.357 ( 10.363 -0.585 -3.922) 11.096 11.590 ( 2.442 3.941 5.466) 7.168 12.192 ( -4.540 1.103 1.499) 4.907 12.385 ( -6.210 -3.667 0.267) 7.217 12.885 ( -8.288 -1.260 0.258) 8.387 13.090 ( -1.973 -3.390 0.033) 3.922 13.735 ( -9.166 -2.925 -2.901) 10.049 14.122 ( -4.451 0.036 3.460) 5.637 22.512 ( 3.924 0.146 2.742) 4.790 22.575 ( 4.397 -0.705 -1.476) 4.691 23.424 ( -1.523 -1.151 0.432) 1.957 23.658 ( -1.588 1.472 -1.609) 2.698 23.942 ( -6.986 2.487 -6.356) 9.766 24.112 ( -5.524 -3.872 6.254) 9.199 25.194 ( 0.722 8.454 2.408) 8.820 25.613 ( 5.673 0.710 -0.569) 5.745 25.864 ( 4.371 -2.618 -7.335) 8.930 26.493 ( -8.446 -2.992 8.155) 12.115 29.148 ( -0.311 -1.326 -1.794) 2.252 29.521 ( -1.662 -1.596 -7.184) 7.544 29.816 ( -1.332 -1.620 2.186) 3.030 30.387 ( -1.308 4.999 0.204) 5.171 46.573 ( 0.763 1.035 1.356) 1.869 46.962 ( 2.950 2.602 -0.402) 3.954 89.042 ( -9.917 0.302 1.225) 9.997 89.210 ( -11.316 -4.290 -0.559) 12.114 89.774 ( 0.588 7.264 -4.708) 8.677 90.537 ( 0.496 -2.884 3.816) 4.809 ======================= Grid point 131 (55/196) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -7.602 17.493 -1.306) 19.118 2.301 ( -14.746 15.209 2.531) 21.335 2.456 ( 12.124 8.021 -2.372) 14.729 2.614 ( 5.894 0.953 2.302) 6.399 2.987 ( -0.580 6.542 -4.588) 8.012 3.262 ( -5.573 -0.844 2.402) 6.127 3.551 ( -1.678 10.794 -0.868) 10.958 3.698 ( -7.007 4.878 3.622) 9.275 4.057 ( -1.111 1.374 0.659) 1.885 4.092 ( 1.853 4.141 -1.492) 4.776 4.307 ( -0.324 10.215 -6.344) 12.029 4.888 ( -12.417 4.430 2.023) 13.338 5.518 ( 6.275 -8.261 4.655) 11.370 5.672 ( -0.615 3.438 2.029) 4.039 6.278 ( 4.103 -16.456 -4.166) 17.464 6.839 ( 6.733 -2.940 1.897) 7.588 7.091 ( 9.995 9.007 -4.380) 14.150 7.231 ( 1.803 6.158 3.959) 7.539 7.945 ( -4.854 -0.695 -1.559) 5.145 8.263 ( 5.681 -4.844 0.393) 7.476 8.283 ( -8.330 8.296 2.710) 12.064 8.463 ( 3.421 -1.814 -0.205) 3.878 8.821 ( 0.834 3.890 1.862) 4.392 8.841 ( 0.828 1.711 -10.057) 10.235 9.133 ( 3.352 -1.686 4.855) 6.136 9.608 ( 0.313 -0.880 -1.500) 1.767 11.472 ( 10.061 2.643 -4.631) 11.387 11.656 ( 6.823 1.863 4.614) 8.445 12.111 ( -6.239 0.861 1.747) 6.536 12.311 ( -10.483 -3.334 1.393) 11.088 12.802 ( -7.719 -3.386 0.968) 8.485 13.117 ( 0.410 -2.763 -0.521) 2.842 13.603 ( -11.064 -2.116 -1.004) 11.310 14.063 ( -5.855 -0.638 0.958) 5.967 22.596 ( 4.788 -0.021 2.347) 5.332 22.641 ( 4.578 -0.757 -1.269) 4.810 23.417 ( -0.799 0.129 0.808) 1.144 23.598 ( -2.524 1.688 -1.965) 3.616 23.790 ( -4.649 1.773 -2.755) 5.688 24.105 ( -8.318 -4.473 4.680) 10.540 25.115 ( 0.264 8.406 2.259) 8.708 25.676 ( 5.897 1.473 -1.415) 6.241 25.893 ( 3.671 -1.557 -7.709) 8.680 26.453 ( -10.426 -3.941 7.134) 13.233 29.167 ( 0.765 -2.199 0.112) 2.331 29.469 ( -1.375 -1.159 -5.759) 6.033 29.829 ( -1.738 -1.682 2.159) 3.242 30.308 ( -0.721 5.212 -0.713) 5.309 46.570 ( -0.121 1.905 1.578) 2.477 46.954 ( 2.106 3.754 -1.145) 4.454 88.911 ( -8.509 -0.263 0.556) 8.531 89.071 ( -15.528 -4.945 0.086) 16.297 89.679 ( 1.573 7.137 -1.373) 7.436 90.568 ( -1.888 -1.583 0.416) 2.498 ======================= Grid point 132 (56/196) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -5.030 18.205 7.460) 20.307 1.852 ( -17.901 21.420 7.335) 28.863 2.457 ( 11.087 16.992 -3.284) 20.553 2.722 ( 4.594 -0.051 4.426) 6.379 2.820 ( -5.516 11.873 1.445) 13.172 3.197 ( -4.783 8.718 -4.080) 10.748 3.317 ( -0.839 6.176 3.169) 6.993 3.625 ( -2.579 4.610 0.428) 5.300 4.044 ( -0.481 3.505 -2.035) 4.081 4.069 ( 0.693 2.728 7.320) 7.842 4.154 ( 4.804 7.356 -8.971) 12.557 4.670 ( -12.480 2.638 5.111) 13.741 5.624 ( -2.644 1.297 3.916) 4.900 5.764 ( 7.929 -8.907 -4.301) 12.677 6.496 ( 2.746 -14.740 -3.499) 15.396 6.862 ( 7.519 11.391 -9.317) 16.526 7.135 ( 1.649 -1.577 3.475) 4.157 7.200 ( 2.319 6.975 2.095) 7.643 7.881 ( -2.720 0.351 -0.607) 2.809 8.026 ( -10.573 9.888 4.476) 15.152 8.422 ( 6.013 -5.024 -0.557) 7.855 8.503 ( 0.186 0.025 -2.189) 2.197 8.700 ( -1.652 -0.197 -3.317) 3.711 8.998 ( 15.822 -0.455 -1.237) 15.877 9.193 ( -1.067 -0.821 1.873) 2.307 9.570 ( -5.393 -1.233 -1.910) 5.852 11.504 ( 4.440 5.373 -1.771) 7.191 11.778 ( 7.780 -0.067 -1.379) 7.902 12.036 ( -6.517 0.144 6.523) 9.221 12.205 ( -8.624 -2.756 0.281) 9.058 12.751 ( -8.084 -4.644 2.058) 9.548 13.148 ( 0.594 -0.930 -0.842) 1.388 13.469 ( -7.392 0.506 0.704) 7.443 13.997 ( -4.334 -1.746 -1.711) 4.976 22.672 ( 2.613 -0.571 2.068) 3.381 22.701 ( 3.098 -0.654 -0.587) 3.220 23.418 ( 1.809 2.264 1.251) 3.156 23.524 ( -3.342 -0.206 -0.261) 3.358 23.737 ( 0.970 1.868 0.095) 2.107 24.039 ( -10.803 -3.437 1.954) 11.504 25.025 ( -0.734 8.048 1.872) 8.295 25.719 ( 7.448 3.912 -5.827) 10.234 25.912 ( 2.502 -2.494 -4.832) 5.986 26.391 ( -12.059 -4.955 5.983) 14.345 29.222 ( 1.111 -2.949 1.653) 3.559 29.440 ( 1.318 -0.073 -2.083) 2.466 29.839 ( -1.809 -1.673 1.994) 3.170 30.227 ( -0.467 5.155 -1.493) 5.387 46.548 ( -0.797 2.543 1.719) 3.171 46.918 ( 1.370 4.278 -1.869) 4.866 88.815 ( -6.946 -0.953 1.072) 7.093 88.899 ( -13.102 -2.798 -0.332) 13.402 89.618 ( 1.553 6.998 1.379) 7.300 90.529 ( -2.809 0.024 -4.214) 5.065 ======================= Grid point 133 (57/196) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.046 15.138 16.392) 22.313 1.446 ( -4.834 25.263 10.701) 27.859 2.277 ( 6.412 33.962 2.038) 34.622 2.540 ( -7.016 15.497 7.125) 18.443 2.815 ( -4.780 -1.520 0.136) 5.018 2.974 ( 7.138 10.395 -6.506) 14.189 3.409 ( 3.975 -2.631 9.565) 10.687 3.495 ( -2.478 8.064 -1.139) 8.512 3.939 ( 2.122 8.562 -3.347) 9.434 4.116 ( 4.352 3.772 8.596) 10.347 4.203 ( 8.564 -3.877 -5.449) 10.866 4.539 ( -10.477 -1.068 5.609) 11.932 5.600 ( -3.027 -0.662 1.350) 3.380 5.843 ( -3.840 -6.040 -12.545) 14.443 6.644 ( -2.187 -9.898 -4.763) 11.200 6.734 ( 7.513 11.270 -6.922) 15.211 7.086 ( -3.327 4.057 -0.861) 5.317 7.251 ( 0.830 -0.877 4.971) 5.115 7.748 ( -1.185 11.737 2.616) 12.083 7.970 ( 0.384 -3.264 3.556) 4.842 8.448 ( 0.866 2.467 -3.306) 4.215 8.541 ( 1.850 -4.964 -2.089) 5.694 8.728 ( 1.479 -2.807 0.425) 3.201 9.144 ( -5.120 0.005 -1.397) 5.307 9.234 ( 15.399 -0.019 -2.492) 15.599 9.468 ( -9.387 -2.390 -0.793) 9.719 11.451 ( 0.138 5.250 -2.407) 5.777 11.829 ( 0.704 -0.712 -2.009) 2.245 11.995 ( -7.813 -1.502 7.502) 10.936 12.197 ( 3.186 -1.133 1.762) 3.813 12.711 ( -4.825 -3.554 1.894) 6.285 13.130 ( -0.923 1.681 -1.144) 2.233 13.425 ( 2.118 2.036 2.755) 4.028 13.967 ( 0.511 -1.441 -4.332) 4.594 22.695 ( -3.326 -1.579 1.709) 4.059 22.749 ( 1.820 -1.202 1.393) 2.588 23.407 ( 0.099 2.016 1.647) 2.605 23.561 ( 4.541 -0.087 4.261) 6.228 23.733 ( -0.192 2.960 0.600) 3.026 23.942 ( -3.258 -2.570 -2.075) 4.639 24.927 ( -1.490 6.921 1.441) 7.225 25.703 ( 8.791 6.837 -12.267) 16.568 25.947 ( -2.690 -3.505 0.686) 4.471 26.323 ( -9.060 -4.398 3.946) 10.817 29.273 ( -0.368 -2.409 1.770) 3.012 29.540 ( 9.849 -3.315 5.062) 11.559 29.845 ( -1.746 -1.532 1.295) 2.659 30.150 ( -0.344 4.445 -1.405) 4.675 46.513 ( -1.010 2.717 1.721) 3.371 46.865 ( 0.670 4.199 -2.424) 4.894 88.727 ( -4.878 -0.431 1.245) 5.052 88.832 ( 1.969 -0.061 -0.259) 1.987 89.561 ( 0.050 6.938 2.981) 7.551 90.428 ( -1.537 3.143 -9.408) 10.037 ======================= Grid point 134 (58/196) ======================= q-point: (-0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 6.273 12.142 18.592) 23.075 1.291 ( 13.065 21.998 11.105) 27.891 1.938 ( 5.116 35.089 11.533) 37.288 2.355 ( 2.720 15.773 4.507) 16.628 2.698 ( -1.536 2.702 -4.389) 5.378 3.015 ( 7.442 3.724 -2.409) 8.664 3.410 ( 2.719 4.491 1.699) 5.518 3.563 ( 3.499 0.022 10.211) 10.794 3.861 ( 2.749 6.586 -3.468) 7.935 4.262 ( 9.128 -0.404 8.942) 12.785 4.334 ( 5.725 -3.312 -8.379) 10.674 4.479 ( -5.821 -4.789 8.867) 11.638 5.475 ( -9.671 3.717 -14.650) 17.944 5.730 ( -6.861 -4.969 1.670) 8.634 6.537 ( 0.462 8.744 -10.346) 13.554 6.789 ( -0.149 -7.000 -1.154) 7.096 6.969 ( -5.389 4.441 -0.475) 6.999 7.207 ( -10.037 3.335 5.552) 11.946 7.728 ( 9.141 6.006 5.063) 12.052 8.038 ( 0.687 -1.891 1.340) 2.417 8.456 ( 2.099 -1.615 -1.499) 3.043 8.555 ( -1.139 -1.687 -6.595) 6.902 8.761 ( -5.154 -5.602 0.914) 7.667 9.075 ( -0.151 -0.381 -0.680) 0.794 9.346 ( -6.173 -3.166 4.186) 8.103 9.423 ( 8.521 1.877 -5.949) 10.560 11.371 ( 0.279 4.011 -4.342) 5.917 11.806 ( -6.673 -2.515 4.908) 8.658 11.995 ( 0.750 -0.347 2.759) 2.880 12.245 ( 0.505 1.825 1.873) 2.663 12.816 ( 12.736 -7.120 -4.269) 15.203 13.096 ( 0.338 1.563 -0.168) 1.608 13.501 ( 7.822 1.980 3.623) 8.845 13.973 ( 5.374 1.756 -6.563) 8.663 22.656 ( -6.738 -2.457 1.896) 7.418 22.780 ( -3.218 -1.556 3.149) 4.764 23.424 ( 2.694 2.593 3.455) 5.091 23.595 ( -2.756 2.367 0.857) 3.733 23.681 ( 2.614 2.287 0.400) 3.497 24.106 ( 16.108 -9.128 -2.999) 18.756 24.848 ( -0.469 4.410 1.830) 4.798 25.639 ( 10.277 9.303 -16.462) 21.521 25.886 ( -12.786 -2.967 4.365) 13.832 26.317 ( 0.156 -0.146 3.472) 3.478 29.310 ( -0.567 -2.264 2.414) 3.358 29.817 ( 2.746 -4.596 3.409) 6.347 29.860 ( 6.081 -4.074 -2.594) 7.766 30.137 ( 4.014 -3.216 4.708) 6.972 46.481 ( -0.697 2.345 1.591) 2.918 46.804 ( 0.385 3.921 -2.201) 4.513 88.808 ( 13.954 -3.626 -2.462) 14.626 88.944 ( 14.272 -0.890 -0.285) 14.303 89.492 ( -1.282 6.405 3.712) 7.513 90.285 ( 2.447 7.297 -13.369) 15.426 ======================= Grid point 138 (59/196) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 14.113 0.000 -3.731) 14.597 2.351 ( 6.457 0.000 10.392) 12.234 2.694 ( -1.175 -0.000 -15.283) 15.328 2.811 ( -3.034 -0.000 3.871) 4.918 3.186 ( -1.389 -0.000 -4.000) 4.235 3.485 ( 8.123 0.000 5.376) 9.740 3.565 ( 10.029 0.000 -2.323) 10.295 3.745 ( 6.478 0.000 1.254) 6.599 4.011 ( 1.152 0.000 0.723) 1.360 4.271 ( 0.994 0.000 2.935) 3.098 4.719 ( -11.549 -0.000 2.604) 11.839 4.978 ( 15.672 0.000 -1.928) 15.790 5.252 ( 1.630 0.000 -10.140) 10.271 5.705 ( -13.488 -0.000 3.297) 13.885 5.965 ( -2.666 -0.000 3.893) 4.718 6.206 ( 9.300 0.000 4.165) 10.190 7.244 ( 6.493 0.000 -2.362) 6.909 7.389 ( 4.730 0.000 0.885) 4.812 7.927 ( -4.606 -0.000 1.248) 4.772 7.965 ( 4.427 0.000 -0.982) 4.534 8.436 ( 4.056 0.000 -6.378) 7.558 8.467 ( -0.617 -0.000 0.040) 0.618 8.675 ( 10.996 0.000 5.311) 12.211 9.095 ( -8.445 -0.000 1.727) 8.620 9.322 ( -4.203 -0.000 -4.631) 6.254 9.423 ( 6.521 0.000 -0.479) 6.539 11.233 ( 5.680 0.000 -0.663) 5.719 11.639 ( -2.488 -0.000 6.600) 7.053 12.259 ( -0.669 -0.000 4.897) 4.943 12.339 ( -0.974 -0.000 -5.691) 5.773 13.032 ( -1.233 -0.000 -3.677) 3.878 13.033 ( -12.398 -0.000 4.292) 13.120 13.814 ( -4.299 -0.000 -6.560) 7.843 14.127 ( -1.593 -0.000 6.235) 6.436 22.456 ( 1.051 0.000 3.167) 3.337 22.521 ( 2.351 0.000 -1.542) 2.812 23.411 ( -1.136 -0.000 0.238) 1.161 23.701 ( 0.024 0.000 -1.169) 1.169 24.063 ( -3.417 -0.000 7.445) 8.192 24.147 ( -5.932 -0.000 -8.487) 10.354 25.405 ( -1.267 -0.000 0.215) 1.285 25.513 ( 10.138 0.000 -1.827) 10.301 25.763 ( 3.652 0.000 -5.107) 6.278 26.471 ( -6.595 -0.000 10.053) 12.023 29.160 ( -1.584 -0.000 -3.429) 3.777 29.569 ( -1.785 -0.000 -7.316) 7.530 29.781 ( -0.534 -0.000 1.931) 2.003 30.524 ( -3.047 -0.000 0.397) 3.073 46.558 ( 2.100 0.000 0.962) 2.310 46.953 ( 4.231 0.000 0.483) 4.259 89.167 ( -7.683 -0.000 4.645) 8.978 89.307 ( -10.505 -0.000 -4.889) 11.587 90.022 ( 1.191 0.000 -13.907) 13.957 90.333 ( 6.947 0.000 11.151) 13.137 ======================= Grid point 139 (60/196) ======================= q-point: (-0.60 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 12.049 2.484 -5.955) 13.668 2.444 ( -1.831 0.445 8.967) 9.163 2.555 ( -0.207 2.542 -11.833) 12.105 2.756 ( -2.888 4.225 3.388) 6.137 3.158 ( -5.686 -5.789 -1.303) 8.218 3.503 ( 5.710 16.814 -2.735) 17.967 3.606 ( 4.183 1.989 3.671) 5.910 3.914 ( -1.744 -9.835 -0.546) 10.003 4.071 ( 4.882 -0.687 2.589) 5.568 4.243 ( -2.510 5.462 0.672) 6.049 4.589 ( -6.365 -1.692 -0.217) 6.589 5.029 ( 11.437 12.480 -6.650) 18.188 5.371 ( 5.559 -7.837 -2.044) 9.823 5.560 ( -11.109 -8.959 -1.499) 14.350 5.933 ( -2.745 2.678 5.243) 6.496 6.437 ( 10.590 -5.187 6.770) 13.597 7.274 ( 3.705 3.630 -0.945) 5.272 7.421 ( 3.295 4.139 -0.408) 5.306 7.931 ( 2.519 -0.545 -0.465) 2.619 8.045 ( 3.802 -2.799 1.012) 4.828 8.410 ( -0.174 2.116 -3.050) 3.716 8.469 ( 2.795 -0.784 -4.116) 5.037 8.887 ( 10.701 0.439 4.555) 11.638 8.977 ( -6.785 1.224 1.947) 7.164 9.186 ( -7.161 2.945 -4.192) 8.805 9.523 ( 5.619 -1.241 -0.887) 5.822 11.342 ( 9.918 -0.393 -1.540) 10.044 11.667 ( 1.440 1.821 6.560) 6.959 12.228 ( -4.681 1.904 1.601) 5.301 12.296 ( -4.737 -3.263 -1.587) 5.967 12.872 ( -12.870 0.016 4.386) 13.597 13.015 ( 0.560 -2.122 -3.729) 4.327 13.694 ( -6.818 -0.683 -5.085) 8.533 14.118 ( -5.427 -0.181 5.109) 7.456 22.511 ( 3.176 -0.100 3.042) 4.399 22.563 ( 4.595 -0.281 -1.931) 4.992 23.406 ( -0.529 -0.342 1.241) 1.392 23.687 ( -0.325 0.720 -1.089) 1.345 23.981 ( -7.856 0.822 -7.690) 11.024 24.050 ( -5.865 -1.306 6.376) 8.761 25.368 ( 0.338 4.491 0.329) 4.516 25.638 ( 8.470 1.298 -1.318) 8.669 25.791 ( 2.731 -2.777 -3.982) 5.570 26.435 ( -8.189 -1.391 7.360) 11.098 29.126 ( -0.704 -0.471 -2.124) 2.287 29.500 ( -1.432 -0.349 -5.851) 6.034 29.789 ( -1.048 -0.581 2.297) 2.590 30.474 ( -2.025 1.891 -0.625) 2.840 46.592 ( 1.721 0.407 1.062) 2.063 47.007 ( 3.594 0.954 -0.071) 3.719 89.061 ( -10.424 0.955 3.482) 11.032 89.133 ( -10.720 -1.958 -2.744) 11.237 89.919 ( 0.384 3.653 -8.880) 9.610 90.480 ( 2.281 -1.495 7.266) 7.761 ======================= Grid point 140 (61/196) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -1.399 14.373 -2.979) 14.745 2.433 ( -11.577 -0.894 5.906) 13.027 2.554 ( 13.412 0.992 -5.448) 14.510 2.710 ( 0.201 2.650 1.550) 3.077 3.094 ( -8.149 -0.862 -0.635) 8.219 3.349 ( 1.293 11.810 -0.806) 11.908 3.650 ( 2.072 1.452 2.066) 3.267 3.908 ( -4.241 1.825 0.339) 4.630 4.092 ( -2.473 6.746 0.188) 7.187 4.146 ( 0.401 0.965 1.109) 1.524 4.548 ( 2.513 5.340 -4.677) 7.530 5.006 ( 2.481 6.438 -5.232) 8.659 5.358 ( -4.402 -3.520 5.183) 7.658 5.686 ( 4.284 -8.600 -5.612) 11.127 5.942 ( 0.123 -4.670 4.714) 6.637 6.694 ( 8.006 -6.194 5.852) 11.693 7.280 ( 5.676 4.767 -1.564) 7.576 7.397 ( 3.739 6.345 -1.883) 7.602 7.931 ( -4.118 -0.385 -0.950) 4.244 8.144 ( 3.037 -4.120 1.728) 5.402 8.393 ( 1.536 1.563 -1.102) 2.453 8.488 ( 3.804 2.072 -1.313) 4.526 8.881 ( 2.157 2.483 -2.380) 4.060 8.934 ( -8.430 3.458 -3.262) 9.678 9.122 ( 5.402 0.643 4.611) 7.132 9.577 ( 0.373 -1.328 -1.643) 2.145 11.495 ( 12.394 -0.068 -3.359) 12.841 11.725 ( 3.907 2.932 6.430) 8.076 12.134 ( -6.298 1.054 0.446) 6.401 12.229 ( -9.278 -3.053 0.742) 9.795 12.737 ( -11.256 -1.939 3.780) 12.032 13.048 ( 3.805 -2.490 -4.050) 6.089 13.570 ( -7.015 -0.688 -2.788) 7.580 14.052 ( -7.970 -0.374 3.245) 8.614 22.587 ( 3.707 -0.497 2.501) 4.499 22.626 ( 5.194 -0.475 -2.064) 5.609 23.424 ( 1.284 0.388 2.462) 2.803 23.649 ( -1.765 2.204 -1.941) 3.426 23.814 ( -6.556 0.149 -4.785) 8.117 24.021 ( -7.193 -2.395 5.102) 9.138 25.312 ( 0.852 6.811 0.896) 6.922 25.706 ( 5.151 1.498 -0.619) 5.400 25.847 ( 4.453 -2.474 -5.553) 7.535 26.373 ( -9.647 -2.415 5.160) 11.204 29.124 ( 0.186 -1.243 -0.194) 1.271 29.453 ( -0.566 -0.294 -3.953) 4.005 29.797 ( -1.431 -0.924 2.435) 2.972 30.412 ( -1.167 3.049 -1.749) 3.703 46.610 ( 0.919 1.204 1.269) 1.976 47.029 ( 2.517 2.206 -0.895) 3.464 88.918 ( -9.423 0.684 1.651) 9.591 88.989 ( -11.275 -2.168 -0.892) 11.516 89.833 ( 1.626 4.952 -4.008) 6.575 90.541 ( -0.614 -0.794 2.811) 2.985 ======================= Grid point 141 (62/196) ======================= q-point: (-0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -3.608 17.856 3.534) 18.556 2.241 ( -13.540 8.421 6.550) 17.238 2.684 ( 9.996 3.957 -4.565) 11.680 2.726 ( 4.573 1.133 2.920) 5.543 3.009 ( -0.636 1.175 -1.639) 2.114 3.240 ( -4.174 4.664 3.892) 7.370 3.660 ( -1.123 0.149 -0.061) 1.134 3.758 ( 3.400 18.272 -5.467) 19.374 4.005 ( -5.296 -2.183 2.554) 6.272 4.154 ( 1.761 3.145 3.056) 4.726 4.438 ( 1.811 11.688 -3.659) 12.380 4.821 ( -7.832 8.520 -0.679) 11.593 5.507 ( 5.876 -10.042 -0.632) 11.652 5.702 ( -2.606 2.433 1.790) 3.989 6.118 ( 3.237 -14.307 -2.113) 14.820 6.887 ( 4.118 -5.512 2.108) 7.196 7.263 ( 4.675 7.661 -5.908) 10.745 7.360 ( 2.964 6.147 -0.059) 6.825 7.855 ( -4.630 -0.975 1.086) 4.855 8.249 ( -2.706 -2.110 3.853) 5.159 8.302 ( -2.319 4.569 0.349) 5.136 8.541 ( 6.812 2.153 -1.575) 7.316 8.726 ( -6.643 2.134 -5.020) 8.596 8.993 ( 14.746 0.104 -1.459) 14.819 9.197 ( 1.061 1.033 3.047) 3.388 9.536 ( -6.299 -1.403 -2.244) 6.833 11.611 ( 7.567 2.767 -3.941) 8.969 11.790 ( 3.361 1.368 2.782) 4.573 12.042 ( -7.272 0.359 5.076) 8.875 12.142 ( -5.215 -2.247 -0.859) 5.743 12.649 ( -9.116 -3.734 3.174) 10.350 13.114 ( 4.971 -1.681 -3.895) 6.535 13.481 ( -3.745 0.376 0.129) 3.766 13.961 ( -7.074 -1.200 0.799) 7.220 22.653 ( 1.671 -0.957 1.408) 2.386 22.687 ( 4.028 -0.448 -1.594) 4.356 23.474 ( 4.617 1.998 3.789) 6.298 23.541 ( -5.476 1.821 -2.500) 6.289 23.759 ( 0.661 -0.505 -1.176) 1.440 23.965 ( -8.819 -2.252 3.312) 9.686 25.234 ( -0.011 8.349 1.209) 8.436 25.765 ( 4.952 0.023 -0.188) 4.956 25.882 ( 4.592 -0.088 -7.799) 9.051 26.292 ( -10.506 -3.260 3.679) 11.599 29.158 ( 0.757 -2.128 1.690) 2.821 29.439 ( 1.295 -0.004 -1.318) 1.848 29.805 ( -1.468 -1.057 2.350) 2.965 30.340 ( -0.642 3.802 -2.850) 4.794 46.606 ( -0.002 2.084 1.518) 2.579 47.013 ( 1.330 3.269 -1.748) 3.939 88.802 ( -8.039 -0.068 1.950) 8.273 88.862 ( -6.209 -0.716 -1.398) 6.405 89.783 ( 2.310 6.019 0.073) 6.447 90.530 ( -1.828 -0.040 -1.658) 2.469 ======================= Grid point 142 (63/196) ======================= q-point: (-0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -0.069 17.086 8.905) 19.268 2.001 ( -1.968 18.048 8.174) 19.910 2.719 ( 5.122 1.987 -2.609) 6.082 2.793 ( 2.028 4.856 5.415) 7.551 2.927 ( -1.031 11.817 -0.452) 11.871 3.225 ( -0.888 -1.469 6.184) 6.417 3.496 ( 3.617 19.184 -6.488) 20.572 3.608 ( -3.794 2.864 -2.783) 5.509 4.029 ( -1.039 -4.583 3.156) 5.660 4.172 ( 3.959 4.377 4.389) 7.355 4.306 ( 2.759 10.319 -0.531) 10.695 4.632 ( -3.703 8.251 0.231) 9.047 5.615 ( -6.542 -1.733 -3.014) 7.409 5.668 ( 1.825 -4.143 -0.417) 4.546 6.303 ( 0.501 -14.875 -4.522) 15.555 6.953 ( -0.018 -0.639 -4.597) 4.641 7.157 ( -0.960 6.684 -3.849) 7.772 7.324 ( 2.041 5.473 1.559) 6.045 7.871 ( 1.816 -1.421 2.677) 3.533 8.076 ( -4.240 10.730 3.067) 11.938 8.380 ( -0.091 -6.543 0.860) 6.600 8.510 ( -1.656 1.837 -5.326) 5.872 8.707 ( 5.456 0.966 0.746) 5.591 9.163 ( -4.302 1.600 -0.415) 4.609 9.220 ( 13.481 -0.881 -0.299) 13.513 9.419 ( -7.805 -1.472 -2.520) 8.333 11.577 ( -0.906 4.576 -3.409) 5.778 11.803 ( -1.980 -1.210 -2.104) 3.132 11.987 ( -5.230 0.452 7.114) 8.841 12.170 ( 5.332 -0.967 0.914) 5.496 12.613 ( -4.845 -4.398 1.890) 6.811 13.152 ( 1.777 0.174 -2.824) 3.341 13.470 ( 2.681 1.564 3.028) 4.336 13.913 ( -1.357 -2.477 -1.986) 3.453 22.666 ( -2.595 -1.084 0.092) 2.814 22.729 ( 1.861 -0.592 -0.401) 1.994 23.444 ( -2.403 1.126 0.445) 2.690 23.585 ( 7.354 1.793 5.925) 9.613 23.790 ( 3.667 0.840 -0.665) 3.820 23.871 ( -8.153 -2.182 -0.142) 8.441 25.125 ( -1.427 8.817 1.059) 8.994 25.831 ( 5.962 2.307 -3.347) 7.216 25.878 ( 1.505 -0.739 -5.508) 5.757 26.218 ( -7.584 -4.168 2.205) 8.930 29.212 ( 0.302 -2.411 2.696) 3.629 29.491 ( 5.204 -1.087 2.496) 5.873 29.813 ( -1.292 -1.016 1.891) 2.505 30.259 ( -0.507 4.173 -3.654) 5.570 46.583 ( -0.711 2.727 1.722) 3.302 46.966 ( 0.314 3.823 -2.380) 4.514 88.724 ( -2.967 0.119 0.856) 3.090 88.831 ( 2.194 0.014 -0.303) 2.215 89.742 ( 1.480 7.354 2.845) 8.022 90.472 ( -1.468 0.842 -5.786) 6.029 ======================= Grid point 143 (64/196) ======================= q-point: (-0.20 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 6.897 14.285 11.987) 19.882 1.881 ( 10.964 22.960 8.154) 26.718 2.619 ( -11.216 14.058 4.849) 18.626 2.740 ( -3.884 2.165 1.978) 4.867 2.787 ( 9.961 18.717 1.935) 21.290 3.177 ( 6.164 10.690 -4.284) 13.063 3.464 ( 0.470 -0.683 -3.004) 3.117 3.514 ( 0.322 -1.199 6.258) 6.380 4.061 ( 2.098 4.697 -0.288) 5.152 4.232 ( 0.886 0.611 7.909) 7.981 4.326 ( 12.364 0.677 -1.470) 12.469 4.499 ( -1.624 8.815 2.424) 9.285 5.470 ( -11.072 -2.649 -9.889) 15.080 5.685 ( -1.641 0.444 1.678) 2.388 6.433 ( -1.689 -13.437 -5.638) 14.670 6.853 ( 0.074 6.449 -9.304) 11.321 7.033 ( -6.524 1.612 -1.373) 6.859 7.304 ( -1.570 5.058 5.686) 7.770 7.900 ( 3.266 4.988 -0.038) 5.962 8.019 ( 4.022 2.920 4.673) 6.822 8.405 ( -3.371 -3.019 -2.201) 5.032 8.491 ( 0.651 -3.896 -2.182) 4.513 8.726 ( -2.013 3.313 -0.455) 3.903 9.069 ( -3.148 0.249 -1.102) 3.345 9.263 ( -8.683 -3.124 4.045) 10.076 9.452 ( 11.282 0.618 -5.046) 12.375 11.470 ( -1.786 3.708 -5.317) 6.724 11.751 ( -6.868 -2.265 2.015) 7.507 11.995 ( 1.246 0.423 3.679) 3.907 12.270 ( 4.963 0.461 2.321) 5.498 12.668 ( 4.925 -5.428 -1.506) 7.483 13.130 ( -0.816 1.081 -1.146) 1.774 13.555 ( 7.720 2.173 4.346) 9.122 13.952 ( 4.616 -2.592 -3.890) 6.570 22.614 ( -5.635 -1.202 -0.363) 5.774 22.746 ( -1.531 -1.110 1.093) 2.184 23.450 ( 1.506 -0.143 3.767) 4.059 23.658 ( -1.106 2.856 3.052) 4.323 23.765 ( 1.933 3.705 0.383) 4.196 23.928 ( 9.132 -5.599 -1.526) 10.820 25.001 ( -2.063 7.794 0.998) 8.124 25.816 ( 7.816 5.580 -11.701) 15.137 25.838 ( -8.271 -1.090 1.637) 8.502 26.248 ( 1.717 -4.843 2.133) 5.564 29.258 ( -0.407 -1.939 2.921) 3.529 29.664 ( 8.900 -5.058 5.269) 11.513 29.818 ( -0.864 -0.858 0.655) 1.383 30.175 ( -0.626 3.548 -3.209) 4.824 46.547 ( -0.955 2.900 1.797) 3.543 46.900 ( -0.207 3.825 -2.510) 4.580 88.753 ( 6.693 -1.156 -0.826) 6.842 88.927 ( 10.669 -0.555 0.600) 10.701 89.679 ( -0.261 8.445 4.184) 9.428 90.393 ( 0.820 2.262 -8.947) 9.265 ======================= Grid point 144 (65/196) ======================= q-point: (-0.10 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 9.062 11.737 12.080) 19.126 1.816 ( 10.543 22.510 5.699) 25.502 2.321 ( -6.543 14.872 5.636) 17.197 2.649 ( 6.936 9.866 5.447) 13.233 2.797 ( 9.910 11.058 1.435) 14.917 3.138 ( 5.656 4.676 -7.074) 10.193 3.456 ( 2.580 -2.263 -1.706) 3.832 3.641 ( -0.099 -2.406 9.085) 9.399 3.998 ( 3.010 8.545 -1.174) 9.136 4.250 ( -5.548 -1.164 0.800) 5.725 4.424 ( -1.537 3.598 11.582) 12.225 4.594 ( 23.516 -0.686 -3.719) 23.819 5.237 ( -11.025 -0.121 -10.850) 15.469 5.680 ( -1.403 0.312 5.280) 5.472 6.473 ( -1.678 -4.024 -10.513) 11.382 6.716 ( -1.470 1.216 -8.244) 8.462 6.919 ( -7.407 1.810 1.853) 7.847 7.203 ( -6.979 7.252 8.548) 13.205 7.911 ( 4.675 2.621 -0.518) 5.384 8.092 ( 5.285 1.869 3.197) 6.453 8.375 ( -5.522 -4.683 -2.229) 7.576 8.517 ( 1.041 0.087 -3.162) 3.330 8.606 ( -6.340 0.084 -1.673) 6.557 9.061 ( -2.076 -3.574 1.150) 4.291 9.246 ( -2.010 -2.665 3.024) 4.504 9.521 ( 4.231 1.717 -3.268) 5.615 11.361 ( -2.865 2.795 -4.441) 5.978 11.708 ( -6.489 -3.467 3.040) 7.960 12.044 ( 2.047 0.740 4.099) 4.641 12.330 ( 5.762 2.758 -0.681) 6.425 12.861 ( 11.567 -8.160 -4.770) 14.938 13.111 ( 0.497 0.265 -0.188) 0.594 13.680 ( 8.872 2.531 3.643) 9.919 14.028 ( 6.140 -0.800 -4.351) 7.568 22.544 ( -6.139 -1.667 0.344) 6.370 22.719 ( -5.466 -0.842 1.799) 5.816 23.484 ( -0.781 1.198 1.511) 2.080 23.654 ( 5.090 1.356 3.968) 6.594 23.765 ( 3.710 4.189 -1.104) 5.704 24.164 ( 10.300 -8.658 -1.824) 13.579 24.911 ( -0.403 4.353 2.079) 4.841 25.709 ( -7.614 1.417 -1.985) 7.995 25.779 ( 6.517 4.689 -9.914) 12.757 26.366 ( 3.612 -2.435 4.219) 6.064 29.290 ( -0.982 -1.761 2.219) 2.998 29.804 ( -1.307 -0.263 1.644) 2.116 29.883 ( 6.070 -3.302 -4.033) 8.001 30.162 ( 1.955 -4.509 3.502) 6.035 46.514 ( -0.641 2.535 1.698) 3.118 46.839 ( 0.264 3.246 -1.905) 3.773 88.933 ( 13.294 -5.346 -1.560) 14.413 89.149 ( 15.636 -2.679 -1.396) 15.925 89.599 ( -0.249 7.868 4.463) 9.049 90.320 ( 4.755 4.424 -10.990) 12.766 ======================= Grid point 149 (66/196) ======================= q-point: ( 0.40 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 12.192 0.000 -6.088) 13.627 2.399 ( -13.053 -0.000 11.638) 17.488 2.505 ( 2.868 0.000 -8.419) 8.894 2.757 ( -4.267 -0.000 4.320) 6.072 3.042 ( -2.075 -0.000 -3.404) 3.986 3.640 ( -0.743 -0.000 1.534) 1.704 3.688 ( -10.839 -0.000 1.671) 10.968 3.756 ( 2.102 0.000 1.259) 2.450 4.151 ( 3.021 0.000 1.058) 3.201 4.300 ( 5.559 0.000 -3.775) 6.720 4.525 ( 2.013 0.000 -0.096) 2.015 5.250 ( 9.847 0.000 -12.495) 15.909 5.292 ( -15.565 -0.000 0.426) 15.570 5.403 ( 12.499 0.000 -1.211) 12.557 5.951 ( -4.223 -0.000 8.973) 9.917 6.605 ( 9.332 0.000 5.793) 10.983 7.337 ( 3.666 0.000 0.028) 3.667 7.481 ( 3.421 0.000 -3.580) 4.952 7.928 ( -3.834 -0.000 -0.826) 3.922 8.087 ( 2.579 0.000 2.853) 3.846 8.415 ( 3.334 0.000 -3.022) 4.500 8.508 ( 6.032 0.000 -2.808) 6.654 8.919 ( -0.942 -0.000 0.572) 1.102 8.977 ( -7.044 -0.000 -3.065) 7.682 9.139 ( 4.544 0.000 3.360) 5.652 9.558 ( 0.773 0.000 -1.827) 1.984 11.492 ( 12.464 0.000 -2.247) 12.665 11.766 ( 3.379 0.000 7.040) 7.809 12.168 ( -3.626 -0.000 -6.998) 7.882 12.168 ( -11.087 -0.000 7.130) 13.182 12.711 ( -13.181 -0.000 5.098) 14.132 13.014 ( 5.672 0.000 -5.975) 8.238 13.563 ( -6.030 -0.000 -3.139) 6.798 14.046 ( -8.628 -0.000 4.059) 9.535 22.580 ( 3.357 0.000 2.429) 4.144 22.620 ( 5.341 0.000 -2.190) 5.772 23.430 ( 2.097 0.000 3.043) 3.696 23.683 ( -0.248 -0.000 -0.770) 0.809 23.809 ( -8.982 -0.000 -6.512) 11.094 23.991 ( -6.477 -0.000 5.096) 8.242 25.404 ( 1.212 0.000 -0.506) 1.313 25.768 ( 0.224 0.000 -1.089) 1.111 25.770 ( 8.824 0.000 -2.642) 9.211 26.342 ( -8.979 -0.000 4.081) 9.863 29.108 ( -0.039 -0.000 -0.271) 0.274 29.450 ( -0.416 -0.000 -3.477) 3.502 29.785 ( -1.306 -0.000 2.570) 2.883 30.450 ( -1.365 -0.000 -2.163) 2.558 46.625 ( 1.308 0.000 1.155) 1.745 47.057 ( 2.688 0.000 -0.805) 2.806 88.934 ( -11.496 -0.000 3.721) 12.083 88.956 ( -8.261 -0.000 -2.844) 8.736 89.898 ( 1.523 0.000 -5.576) 5.781 90.530 ( -0.351 -0.000 4.268) 4.283 ======================= Grid point 151 (67/196) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -9.944 9.428 7.850) 15.792 2.349 ( -1.138 5.846 2.016) 6.288 2.632 ( 8.552 -9.330 -2.954) 12.997 2.725 ( -2.135 0.474 2.080) 3.018 3.028 ( 3.338 0.728 -3.926) 5.204 3.445 ( -7.786 10.709 3.720) 13.753 3.657 ( -2.504 -2.639 -1.348) 3.880 3.800 ( -5.167 -4.975 4.944) 8.712 4.154 ( 0.008 2.926 -3.637) 4.668 4.312 ( 11.957 11.202 -3.352) 16.724 4.599 ( 2.904 0.331 -0.598) 2.983 5.028 ( -10.676 6.123 -1.812) 12.440 5.328 ( 8.319 -2.296 -5.073) 10.011 5.609 ( 6.709 -8.958 -5.688) 12.555 5.949 ( -4.803 0.179 10.765) 11.789 6.760 ( 3.869 -3.436 3.353) 6.166 7.378 ( 3.894 2.068 -3.365) 5.546 7.480 ( 3.536 2.768 -5.049) 6.757 7.841 ( -5.809 -0.248 1.663) 6.048 8.152 ( 0.702 -2.377 4.040) 4.740 8.417 ( -1.637 2.165 -0.068) 2.715 8.588 ( 7.489 1.135 -2.197) 7.887 8.786 ( -9.839 1.948 -3.708) 10.694 8.999 ( 12.419 0.221 -1.110) 12.471 9.228 ( 2.556 0.977 3.208) 4.217 9.509 ( -5.698 -0.668 -2.765) 6.369 11.642 ( 9.871 0.293 -4.059) 10.677 11.833 ( -0.587 1.382 4.652) 4.889 12.053 ( -8.942 0.457 6.152) 10.863 12.099 ( -0.788 -1.198 -3.498) 3.780 12.577 ( -10.776 -1.757 3.558) 11.483 13.079 ( 7.733 -0.883 -6.047) 9.856 13.487 ( -2.344 0.142 0.021) 2.348 13.940 ( -8.888 -0.456 2.307) 9.194 22.633 ( 1.369 -0.503 1.261) 1.928 22.679 ( 4.372 -0.204 -1.935) 4.785 23.506 ( 4.564 0.633 4.570) 6.489 23.612 ( -5.238 3.575 -3.135) 7.074 23.707 ( -1.643 -3.299 -1.758) 4.084 23.936 ( -5.974 -0.353 3.605) 6.987 25.396 ( 1.166 3.950 -0.065) 4.119 25.763 ( 1.084 0.310 0.440) 1.210 25.871 ( 6.957 -0.933 -5.084) 8.667 26.235 ( -9.479 -1.202 1.581) 9.685 29.122 ( 0.510 -0.764 1.702) 1.934 29.439 ( 1.198 0.015 -1.003) 1.562 29.788 ( -1.273 -0.345 2.762) 3.061 30.405 ( -0.726 1.384 -3.671) 3.990 46.643 ( 0.470 0.801 1.391) 1.673 47.070 ( 1.370 1.221 -1.720) 2.515 88.805 ( -8.429 0.142 2.145) 8.699 88.852 ( -4.015 -0.188 -1.555) 4.310 89.892 ( 2.969 2.443 -1.232) 4.037 90.527 ( -2.112 -0.117 0.047) 2.116 ======================= Grid point 152 (68/196) ======================= q-point: (-0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -3.550 13.007 7.251) 15.309 2.287 ( 0.607 7.580 7.061) 10.377 2.712 ( -1.243 -0.737 1.267) 1.921 2.857 ( 9.915 -6.116 -1.405) 11.734 3.058 ( 6.779 4.284 -0.006) 8.019 3.247 ( -8.961 6.725 4.528) 12.084 3.619 ( -2.071 0.683 -4.816) 5.287 3.845 ( -2.303 -6.743 5.409) 8.946 4.012 ( -1.342 11.559 -7.970) 14.104 4.341 ( 9.059 10.827 3.664) 14.584 4.539 ( -1.813 7.238 -0.032) 7.462 4.839 ( -1.682 5.857 -4.183) 7.391 5.451 ( 2.254 -5.303 -3.133) 6.559 5.687 ( 0.501 -1.748 -1.943) 2.661 5.995 ( -2.670 -7.494 4.541) 9.160 6.838 ( -2.863 -5.462 0.875) 6.229 7.313 ( -1.986 4.071 -7.101) 8.422 7.453 ( 3.067 4.068 -3.654) 6.270 7.847 ( 2.495 -0.417 4.493) 5.156 8.203 ( -3.685 -2.826 4.053) 6.164 8.332 ( -1.478 4.820 0.224) 5.046 8.546 ( -4.697 1.065 -6.890) 8.406 8.758 ( 8.988 2.643 2.086) 9.598 9.195 ( 9.060 -0.797 1.378) 9.198 9.217 ( -2.515 2.205 0.633) 3.404 9.396 ( -4.322 -0.502 -4.404) 6.190 11.661 ( -1.420 2.110 -4.182) 4.895 11.779 ( -5.359 -0.570 -2.019) 5.755 12.003 ( -3.553 0.640 6.924) 7.809 12.154 ( 6.877 -0.319 0.888) 6.942 12.508 ( -5.382 -3.733 1.469) 6.713 13.145 ( 4.478 -0.521 -4.597) 6.439 13.499 ( 3.244 0.794 3.276) 4.678 13.860 ( -3.740 -1.615 -0.408) 4.094 22.641 ( -2.214 -0.857 -0.182) 2.381 22.718 ( 1.879 -0.343 -1.087) 2.198 23.474 ( -4.460 1.322 -0.567) 4.687 23.632 ( 7.305 1.772 5.385) 9.246 23.743 ( 2.035 -3.097 -1.427) 3.972 23.873 ( -4.602 0.998 1.959) 5.100 25.333 ( -0.486 7.387 0.440) 7.416 25.802 ( 1.359 -1.566 1.971) 2.861 25.923 ( 7.189 1.112 -8.341) 11.068 26.128 ( -9.031 -2.757 0.481) 9.454 29.163 ( 0.670 -1.480 3.140) 3.535 29.475 ( 3.464 -0.317 1.644) 3.848 29.796 ( -1.037 -0.428 2.712) 2.935 30.343 ( -0.299 2.451 -5.109) 5.675 46.639 ( -0.483 1.688 1.696) 2.441 47.043 ( 0.056 2.284 -2.518) 3.400 88.729 ( -2.686 0.248 0.683) 2.783 88.832 ( 2.213 0.046 -0.266) 2.230 89.900 ( 3.373 5.009 2.506) 6.538 90.478 ( -2.610 -0.180 -3.939) 4.729 ======================= Grid point 153 (69/196) ======================= q-point: (-0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 5.324 13.963 7.109) 16.548 2.301 ( 8.627 9.732 7.859) 15.195 2.703 ( -3.452 0.153 1.072) 3.618 2.946 ( -4.743 11.422 7.198) 14.310 3.051 ( 6.892 2.920 -3.345) 8.199 3.215 ( 0.942 -5.502 5.890) 8.116 3.511 ( -4.191 2.098 -6.023) 7.632 3.737 ( -0.446 17.073 -8.393) 19.030 3.985 ( 2.479 -7.560 4.537) 9.159 4.308 ( -5.571 5.928 9.723) 12.678 4.496 ( 12.969 9.310 -3.787) 16.408 4.748 ( 4.160 8.688 -3.095) 10.117 5.389 ( -11.682 -2.630 -5.257) 13.077 5.726 ( 3.477 1.608 2.945) 4.832 6.090 ( -2.834 -12.678 -2.582) 13.245 6.832 ( -6.603 -5.419 -0.315) 8.548 7.145 ( -5.642 5.376 -7.229) 10.629 7.430 ( 2.208 4.223 0.283) 4.774 7.931 ( 3.838 0.253 2.259) 4.461 8.158 ( -1.824 2.674 0.743) 3.320 8.311 ( -0.730 -0.867 0.892) 1.443 8.455 ( -0.684 0.193 -4.614) 4.669 8.848 ( 5.065 5.567 1.487) 7.672 9.100 ( -6.257 2.303 -0.890) 6.727 9.199 ( -8.240 -2.073 3.726) 9.278 9.460 ( 11.339 0.092 -4.315) 12.132 11.543 ( -4.467 2.230 -5.667) 7.553 11.692 ( -7.709 -2.472 -0.443) 8.108 12.015 ( 0.604 1.061 4.881) 5.031 12.276 ( 6.960 0.070 2.766) 7.490 12.541 ( 2.859 -4.792 -1.542) 5.790 13.146 ( -0.747 0.221 -2.172) 2.307 13.601 ( 7.930 1.520 5.183) 9.595 13.878 ( 3.544 -2.983 -3.007) 5.522 22.590 ( -5.161 -0.838 -1.151) 5.354 22.724 ( -1.310 -0.710 0.021) 1.490 23.441 ( -0.320 -0.334 2.633) 2.673 23.706 ( -2.286 -0.093 1.956) 3.010 23.808 ( 4.701 0.040 -1.771) 5.023 23.869 ( 7.210 1.202 3.454) 8.085 25.214 ( -2.153 9.016 0.445) 9.280 25.821 ( -4.310 -0.326 2.434) 4.961 25.929 ( 6.242 3.506 -10.238) 12.493 26.104 ( -0.550 -6.509 0.865) 6.589 29.214 ( 0.260 -1.570 3.564) 3.904 29.579 ( 6.088 -2.099 4.138) 7.654 29.805 ( -0.822 -0.263 2.244) 2.405 30.263 ( -0.222 3.203 -6.200) 6.982 46.614 ( -1.212 2.339 1.963) 3.285 46.984 ( -0.840 2.867 -2.918) 4.176 88.739 ( 4.236 -0.166 -0.609) 4.283 88.916 ( 8.931 -0.327 0.869) 8.979 89.887 ( 1.892 8.052 4.578) 9.453 90.414 ( -0.981 -0.385 -6.498) 6.583 ======================= Grid point 154 (70/196) ======================= q-point: (-0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 8.939 12.511 7.551) 17.130 2.361 ( 11.603 18.221 4.544) 22.074 2.546 ( -13.953 4.165 2.214) 14.728 2.789 ( -4.752 6.057 7.724) 10.905 3.097 ( 9.544 7.702 -0.914) 12.298 3.254 ( -2.932 1.537 -5.711) 6.602 3.429 ( -0.107 0.267 0.187) 0.343 3.591 ( 4.832 3.400 -0.797) 5.962 4.090 ( -0.465 -0.583 0.238) 0.783 4.249 ( -4.544 0.024 7.280) 8.582 4.576 ( 9.835 8.991 4.410) 14.036 4.722 ( 15.013 9.040 -4.348) 18.056 5.184 ( -13.047 -3.086 -7.568) 15.395 5.752 ( 1.109 4.581 5.706) 7.400 6.189 ( -1.856 -14.566 -6.454) 16.040 6.798 ( -3.442 -1.615 -2.503) 4.552 6.931 ( -8.159 3.728 -4.917) 10.230 7.383 ( -3.915 5.870 4.817) 8.544 7.966 ( 2.278 1.310 -0.890) 2.775 8.143 ( 1.207 0.523 -0.128) 1.321 8.310 ( -0.535 -0.118 -0.398) 0.677 8.434 ( -1.436 -1.657 -1.371) 2.586 8.768 ( -0.911 8.400 -1.141) 8.526 8.988 ( -7.962 -1.627 -0.312) 8.132 9.205 ( 1.676 -0.807 3.919) 4.338 9.546 ( 3.940 0.389 -2.574) 4.723 11.416 ( -3.787 1.559 -6.243) 7.466 11.618 ( -8.371 -3.813 1.947) 9.402 12.065 ( 3.474 1.010 3.551) 5.069 12.378 ( 5.856 1.197 1.655) 6.202 12.685 ( 9.688 -6.311 -3.483) 12.075 13.116 ( -0.972 0.041 -0.521) 1.104 13.744 ( 9.298 2.447 4.976) 10.825 13.968 ( 5.757 -3.369 -3.356) 7.467 22.511 ( -5.598 -1.008 -0.986) 5.773 22.697 ( -4.309 -0.898 0.871) 4.487 23.483 ( 0.114 -0.995 3.435) 3.578 23.677 ( 1.112 0.853 1.081) 1.770 23.847 ( 4.021 0.646 -3.530) 5.390 24.038 ( 10.024 -0.679 4.399) 10.967 25.071 ( -2.717 8.275 0.617) 8.732 25.729 ( -8.028 1.171 1.446) 8.241 25.895 ( 6.262 3.769 -10.950) 13.166 26.246 ( 4.720 -6.832 2.844) 8.778 29.255 ( -0.346 -1.169 2.927) 3.170 29.756 ( 7.208 -4.588 4.939) 9.869 29.809 ( -0.501 -0.030 0.965) 1.087 30.174 ( -0.523 2.928 -5.867) 6.578 46.578 ( -1.450 2.521 2.078) 3.575 46.914 ( -0.926 2.780 -2.716) 3.995 88.846 ( 9.573 -2.001 -1.374) 9.876 89.102 ( 13.370 -1.376 0.914) 13.472 89.816 ( -0.827 9.464 3.993) 10.305 90.380 ( 3.054 0.669 -6.363) 7.089 ======================= Grid point 155 (71/196) ======================= q-point: (-0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 7.142 11.635 5.943) 14.890 2.173 ( -1.713 16.771 1.590) 16.933 2.343 ( -8.729 7.685 4.963) 12.644 2.815 ( 4.659 0.135 5.044) 6.867 3.087 ( 0.690 5.346 -7.602) 9.319 3.185 ( 9.139 4.002 -2.941) 10.401 3.470 ( 4.237 -0.995 -0.293) 4.362 3.665 ( 1.893 -1.706 3.028) 3.958 4.048 ( -2.571 0.005 0.285) 2.587 4.209 ( -5.546 3.579 5.047) 8.309 4.577 ( 2.667 8.601 6.361) 11.025 4.946 ( 24.906 2.053 -5.911) 25.680 5.020 ( -8.497 -3.191 -2.364) 9.379 5.739 ( -1.354 4.226 6.970) 8.263 6.299 ( 1.839 -11.607 -9.038) 14.825 6.649 ( -2.362 5.609 -12.089) 13.535 6.842 ( -6.876 -0.955 5.634) 8.941 7.254 ( -7.595 6.267 8.936) 13.297 7.971 ( 2.413 2.160 -1.906) 3.758 8.129 ( -5.796 -3.273 -1.105) 6.748 8.310 ( 3.971 2.779 0.013) 4.847 8.421 ( -3.656 -3.250 -0.616) 4.930 8.666 ( 2.405 8.027 -1.129) 8.455 8.936 ( -4.613 -6.169 -1.302) 7.812 9.263 ( 1.072 0.183 3.699) 3.856 9.541 ( -0.603 0.786 -1.906) 2.148 11.310 ( -2.396 1.480 -5.409) 6.098 11.571 ( -8.017 -4.791 3.217) 9.879 12.127 ( 3.456 1.356 3.077) 4.822 12.442 ( 5.319 2.226 -0.435) 5.782 12.900 ( 11.219 -6.859 -4.154) 13.790 13.117 ( 0.639 -0.520 -0.086) 0.828 13.865 ( 7.823 3.429 3.562) 9.255 14.058 ( 3.859 -2.453 -2.080) 5.024 22.449 ( -4.273 -1.348 -0.189) 4.485 22.638 ( -5.651 -0.407 1.157) 5.783 23.490 ( -0.426 0.721 0.676) 1.076 23.758 ( 5.277 -1.402 1.944) 5.796 23.863 ( 3.841 2.126 -1.170) 4.543 24.200 ( 5.911 -2.360 1.076) 6.455 24.967 ( -1.315 4.163 1.948) 4.781 25.611 ( -6.270 1.486 0.516) 6.464 25.863 ( 6.961 3.997 -11.141) 13.731 26.408 ( 3.269 -4.447 5.264) 7.627 29.272 ( -1.030 -0.743 1.219) 1.760 29.800 ( -0.693 0.590 0.360) 0.979 29.908 ( 4.461 -0.336 -3.363) 5.597 30.141 ( 0.500 -4.317 1.401) 4.566 46.545 ( -1.088 2.163 1.973) 3.123 46.860 ( -0.023 1.953 -1.922) 2.740 89.040 ( 11.735 -5.378 -1.317) 12.976 89.302 ( 9.633 -0.746 -0.048) 9.662 89.717 ( -0.650 6.760 2.160) 7.127 90.389 ( 6.948 3.363 -5.168) 9.289 ======================= Grid point 161 (72/196) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -8.330 0.000 11.068) 13.852 2.493 ( 4.233 -0.000 -1.166) 4.391 2.646 ( 7.310 -0.000 6.075) 9.505 2.702 ( -2.583 -0.000 2.029) 3.284 3.105 ( 9.432 -0.000 -7.445) 12.016 3.501 ( -7.291 0.000 2.631) 7.751 3.508 ( -1.474 -0.000 3.422) 3.726 3.739 ( -4.731 -0.000 2.174) 5.206 4.134 ( -1.135 -0.000 -5.922) 6.030 4.556 ( 15.120 0.000 -7.500) 16.878 4.646 ( 0.925 -0.000 3.119) 3.253 4.857 ( -12.782 -0.000 0.120) 12.782 5.430 ( 11.500 -0.000 -8.386) 14.233 5.579 ( 1.276 -0.000 -4.521) 4.698 5.947 ( -7.354 -0.000 13.566) 15.430 6.760 ( -3.150 0.000 1.227) 3.380 7.360 ( -2.926 -0.000 -6.641) 7.257 7.502 ( 3.114 -0.000 -6.428) 7.142 7.844 ( 2.936 -0.000 5.168) 5.944 8.156 ( -3.170 -0.000 5.059) 5.970 8.401 ( -1.761 0.000 -0.243) 1.778 8.560 ( -5.479 -0.000 -7.468) 9.262 8.799 ( 9.531 -0.000 2.792) 9.931 9.182 ( 7.959 -0.000 1.587) 8.115 9.251 ( -2.701 -0.000 1.475) 3.077 9.390 ( -2.607 -0.000 -5.235) 5.848 11.684 ( -0.660 -0.000 -4.501) 4.549 11.774 ( -7.839 -0.000 -1.973) 8.083 12.012 ( -2.895 -0.000 6.810) 7.400 12.151 ( 7.459 -0.000 1.059) 7.534 12.456 ( -5.622 -0.000 1.177) 5.744 13.137 ( 5.639 -0.000 -5.403) 7.810 13.509 ( 3.464 -0.000 3.390) 4.847 13.840 ( -4.792 -0.000 0.250) 4.799 22.629 ( -2.056 -0.000 -0.141) 2.061 22.713 ( 1.901 -0.000 -1.258) 2.279 23.495 ( -5.411 -0.000 -0.651) 5.451 23.661 ( -0.008 -0.000 -1.285) 1.285 23.692 ( 9.248 -0.000 5.231) 10.624 23.887 ( -3.681 -0.000 1.815) 4.104 25.437 ( 0.681 -0.000 0.010) 0.681 25.782 ( 1.137 -0.000 1.912) 2.225 25.923 ( 5.601 -0.000 -5.788) 8.054 26.097 ( -8.283 -0.000 -1.573) 8.431 29.144 ( 0.736 -0.000 3.250) 3.333 29.472 ( 3.028 -0.000 1.463) 3.363 29.791 ( -0.958 -0.000 3.086) 3.231 30.374 ( -0.177 -0.000 -5.621) 5.624 46.660 ( -0.399 -0.000 1.682) 1.728 47.072 ( -0.039 -0.000 -2.587) 2.587 88.733 ( -2.674 -0.000 0.623) 2.746 88.832 ( 2.191 -0.000 -0.238) 2.203 89.965 ( 4.498 -0.000 2.304) 5.054 90.474 ( -3.489 -0.000 -3.297) 4.800 ======================= Grid point 163 (73/196) ======================= q-point: (-0.40 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 1.930 4.282 7.710) 9.028 2.480 ( 3.132 7.772 4.434) 9.480 2.690 ( -1.003 -0.990 0.702) 1.575 2.886 ( 6.533 -8.638 8.312) 13.652 3.135 ( -1.605 -0.918 -4.853) 5.193 3.349 ( 3.708 15.138 4.121) 16.121 3.574 ( 0.385 1.208 -6.353) 6.478 3.750 ( -1.351 -10.529 6.137) 12.262 4.018 ( -3.157 5.041 -9.236) 10.985 4.524 ( -10.586 9.778 6.072) 15.638 4.660 ( 7.688 2.685 -0.210) 8.146 4.827 ( 7.564 -1.922 -8.533) 11.564 5.422 ( -3.816 5.932 -3.101) 7.705 5.631 ( 4.133 -9.284 -6.677) 12.160 5.945 ( -5.532 0.342 12.621) 13.785 6.702 ( -8.188 -3.680 1.371) 9.081 7.239 ( -4.788 2.104 -6.490) 8.334 7.488 ( 1.577 0.734 -5.019) 5.311 7.940 ( 4.516 0.339 3.174) 5.530 8.120 ( -6.802 -1.921 2.632) 7.542 8.377 ( 1.594 2.425 -1.115) 3.109 8.465 ( -0.338 0.339 -5.384) 5.405 8.966 ( 10.442 3.310 3.000) 11.357 9.140 ( -9.187 -0.568 2.457) 9.526 9.176 ( -7.282 0.982 0.881) 7.401 9.460 ( 10.835 -0.035 -4.156) 11.605 11.582 ( -6.878 0.985 -4.269) 8.155 11.641 ( -8.160 -1.426 -3.203) 8.881 12.036 ( 0.232 0.515 5.420) 5.449 12.278 ( 7.347 0.100 2.994) 7.934 12.449 ( 3.040 -2.220 -2.134) 4.327 13.146 ( -0.148 -0.068 -3.050) 3.055 13.627 ( 8.098 0.562 5.929) 10.052 13.823 ( 2.551 -1.255 -2.726) 3.938 22.575 ( -4.812 -0.343 -1.202) 4.972 22.712 ( -1.436 -0.265 -0.356) 1.503 23.438 ( -2.116 0.068 1.587) 2.645 23.669 ( 1.026 -1.425 -1.507) 2.315 23.841 ( 0.251 1.586 0.471) 1.674 23.889 ( 9.359 0.056 5.371) 10.791 25.405 ( -0.956 5.255 0.368) 5.354 25.824 ( 0.389 0.618 3.076) 3.161 25.947 ( -0.770 -4.418 -2.481) 5.125 25.993 ( 0.417 0.810 -7.257) 7.314 29.186 ( 0.719 -0.643 3.937) 4.053 29.549 ( 4.739 -0.528 3.539) 5.938 29.802 ( -0.728 -0.027 3.224) 3.306 30.320 ( 0.345 1.234 -7.560) 7.668 46.655 ( -1.368 0.892 2.047) 2.619 47.034 ( -1.251 1.065 -3.204) 3.600 88.739 ( 3.558 0.050 -0.659) 3.619 88.911 ( 8.051 -0.109 1.019) 8.116 90.045 ( 5.267 4.020 5.422) 8.562 90.388 ( -3.820 -1.165 -6.104) 7.294 ======================= Grid point 164 (74/196) ======================= q-point: (-0.30 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 6.508 8.634 4.931) 11.884 2.475 ( -2.825 0.355 4.639) 5.443 2.701 ( 0.735 1.250 1.090) 1.814 2.984 ( -10.060 5.900 8.931) 14.689 3.136 ( 7.452 -3.547 -0.992) 8.313 3.284 ( 2.729 8.049 -0.626) 8.522 3.474 ( 0.066 4.461 -4.028) 6.011 3.805 ( -1.835 8.462 -8.392) 12.058 3.963 ( 4.055 -9.384 1.835) 10.386 4.316 ( -9.433 5.755 5.574) 12.376 4.737 ( 2.741 0.208 5.171) 5.856 4.906 ( 16.589 5.448 -11.212) 20.751 5.195 ( -12.606 5.917 -2.866) 14.217 5.770 ( 4.065 -10.064 -5.157) 12.017 5.943 ( -4.712 1.661 9.745) 10.951 6.667 ( -7.180 -6.390 4.416) 10.578 7.072 ( -4.691 5.725 -8.025) 10.917 7.460 ( -1.619 0.516 -1.429) 2.220 7.983 ( 0.250 0.383 0.390) 0.601 8.077 ( -4.282 -3.667 -0.587) 5.668 8.374 ( 3.816 3.187 -1.607) 5.225 8.441 ( 1.108 0.954 -2.708) 3.078 8.948 ( -3.172 5.330 1.873) 6.479 9.006 ( -10.402 2.752 0.185) 10.761 9.198 ( 6.842 0.097 3.611) 7.737 9.545 ( 3.252 -0.316 -2.087) 3.877 11.438 ( -6.275 0.355 -5.376) 8.271 11.532 ( -8.357 -2.856 -0.806) 8.868 12.090 ( 3.762 0.888 3.625) 5.300 12.394 ( 5.761 0.289 3.080) 6.539 12.554 ( 8.939 -4.045 -3.887) 10.554 13.114 ( -1.538 -0.151 -1.016) 1.850 13.793 ( 9.698 1.529 6.004) 11.508 13.889 ( 5.601 -2.712 -3.378) 7.080 22.493 ( -5.374 -0.506 -1.447) 5.589 22.677 ( -3.949 -0.631 0.371) 4.016 23.454 ( 0.221 -1.087 3.445) 3.619 23.687 ( 1.298 -0.191 -0.869) 1.574 23.830 ( 1.472 -0.582 -3.034) 3.422 24.074 ( 10.620 1.747 6.000) 12.322 25.292 ( -2.438 8.887 0.266) 9.219 25.765 ( -6.681 1.582 1.443) 7.016 25.957 ( 3.336 1.002 -7.561) 8.325 26.060 ( 5.226 -7.304 0.289) 8.986 29.231 ( 0.381 -0.756 3.518) 3.618 29.673 ( 5.950 -2.052 4.914) 7.985 29.814 ( -0.700 0.260 3.136) 3.224 30.245 ( 0.701 2.374 -9.178) 9.506 46.630 ( -2.089 1.553 2.359) 3.513 46.969 ( -1.860 1.609 -3.341) 4.149 88.820 ( 7.994 -0.445 -1.409) 8.130 89.077 ( 12.303 -0.666 1.808) 12.453 90.047 ( 0.223 8.968 2.943) 9.441 90.354 ( 1.891 -2.817 -3.128) 4.614 ======================= Grid point 165 (75/196) ======================= q-point: (-0.20 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 5.499 8.798 3.500) 10.949 2.371 ( -15.818 0.716 2.285) 15.999 2.631 ( -5.588 8.701 2.286) 10.590 2.869 ( 0.787 7.623 7.212) 10.524 3.125 ( -2.553 0.126 -12.139) 12.405 3.277 ( 5.945 3.222 -2.055) 7.068 3.461 ( 0.083 0.102 7.055) 7.057 3.691 ( 5.171 4.469 -6.467) 9.409 4.048 ( -2.878 -1.136 -1.352) 3.377 4.225 ( -5.025 -1.417 5.224) 7.386 4.799 ( 2.171 4.538 7.965) 9.420 4.914 ( -12.105 -0.853 -6.554) 13.792 5.056 ( 19.887 5.591 -5.521) 21.383 5.884 ( 0.116 6.285 7.718) 9.954 5.946 ( -0.912 -14.406 -4.282) 15.057 6.718 ( -2.956 -6.409 6.897) 9.868 6.855 ( -3.332 8.511 -10.498) 13.919 7.385 ( -6.980 3.158 3.399) 8.382 7.975 ( -0.819 -1.388 -0.901) 1.847 8.060 ( -3.617 -3.064 -1.824) 5.080 8.380 ( 3.422 2.666 -1.415) 4.562 8.422 ( 0.893 2.335 -0.819) 2.631 8.828 ( -9.504 1.210 0.371) 9.588 8.869 ( 0.429 4.759 -0.529) 4.807 9.294 ( 3.902 2.285 3.509) 5.724 9.545 ( -1.452 -0.481 -1.223) 1.958 11.325 ( -3.456 -0.329 -6.151) 7.063 11.460 ( -7.530 -3.830 1.498) 8.580 12.160 ( 3.966 1.277 2.700) 4.964 12.477 ( 4.152 0.768 1.711) 4.556 12.745 ( 12.443 -5.557 -4.138) 14.242 13.105 ( 0.211 -0.431 0.135) 0.499 13.927 ( 7.149 0.282 -0.312) 7.162 13.996 ( 5.539 -0.948 3.092) 6.414 22.422 ( -3.971 -0.804 -1.009) 4.175 22.625 ( -4.701 -0.596 0.828) 4.810 23.493 ( -0.046 -0.500 2.731) 2.777 23.726 ( 3.965 -0.982 0.852) 4.172 23.843 ( 1.482 -2.064 -4.893) 5.514 24.228 ( 8.330 2.633 5.380) 10.260 25.137 ( -3.307 9.171 0.294) 9.754 25.656 ( -6.101 1.865 1.302) 6.511 25.937 ( 4.871 2.004 -9.398) 10.773 26.249 ( 4.670 -7.969 4.250) 10.168 29.260 ( -0.156 -0.310 2.096) 2.124 29.813 ( 0.992 -0.177 0.668) 1.210 29.840 ( 4.287 -2.753 6.662) 8.387 30.153 ( 0.570 2.902 -9.507) 9.957 46.594 ( -2.291 1.748 2.482) 3.803 46.901 ( -1.592 1.376 -2.905) 3.587 88.955 ( 9.765 -1.934 -1.454) 10.060 89.285 ( 12.317 -0.576 1.709) 12.449 89.902 ( -4.610 7.810 -1.653) 9.219 90.442 ( 7.485 1.010 2.102) 7.840 ======================= Grid point 166 (76/196) ======================= q-point: (-0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -14.222 2.078 0.881) 14.400 2.200 ( 2.828 6.754 1.081) 7.402 2.397 ( -10.054 10.326 3.282) 14.781 2.865 ( -2.979 2.371 1.633) 4.142 2.984 ( 0.836 -0.664 -12.748) 12.793 3.362 ( 8.034 0.163 -0.706) 8.066 3.513 ( 1.422 -0.883 2.130) 2.709 3.704 ( 3.928 0.575 -2.719) 4.812 3.999 ( -2.726 -1.094 0.950) 3.087 4.180 ( -8.011 0.388 4.377) 9.137 4.689 ( -6.450 1.801 -3.401) 7.510 4.884 ( -0.139 -0.475 6.211) 6.231 5.274 ( 17.918 1.498 -2.199) 18.114 5.810 ( -6.124 5.848 8.083) 11.706 6.136 ( 6.262 -14.532 -6.533) 17.119 6.645 ( 2.038 9.014 -12.778) 15.770 6.798 ( -2.644 -2.192 8.045) 8.748 7.248 ( -10.204 3.929 8.539) 13.874 7.985 ( -1.085 -2.795 -1.162) 3.216 8.010 ( -1.978 1.247 -1.361) 2.705 8.378 ( 0.881 2.066 0.252) 2.260 8.412 ( 2.255 1.687 -0.895) 2.955 8.733 ( -4.132 -0.619 1.380) 4.400 8.836 ( 2.002 0.957 -3.450) 4.102 9.302 ( -1.673 2.215 2.776) 3.926 9.519 ( -0.657 0.289 -1.296) 1.482 11.259 ( 0.122 -0.222 -6.483) 6.488 11.428 ( -5.943 -4.298 2.818) 7.857 12.205 ( 1.702 1.246 2.823) 3.524 12.522 ( 2.620 1.253 0.563) 2.958 12.961 ( 11.247 -5.048 -3.954) 12.946 13.116 ( -0.092 -0.197 -0.003) 0.218 14.009 ( 4.571 -1.548 -1.395) 5.023 14.079 ( 2.369 2.630 5.091) 6.201 22.388 ( -1.725 -1.136 -0.288) 2.086 22.573 ( -3.572 -0.032 0.973) 3.702 23.503 ( 0.120 0.702 1.086) 1.298 23.799 ( 2.138 -0.292 -2.929) 3.638 23.871 ( 1.541 -5.271 -0.336) 5.502 24.312 ( 4.337 4.633 3.697) 7.345 25.002 ( -2.904 4.934 1.303) 5.872 25.571 ( -3.440 1.967 1.305) 4.172 25.916 ( 5.456 2.252 -9.754) 11.400 26.429 ( 2.417 -5.741 6.831) 9.245 29.261 ( -0.751 0.382 0.090) 0.847 29.803 ( -0.407 1.378 -0.342) 1.478 29.959 ( 3.879 2.122 -2.672) 5.166 30.096 ( 0.148 -3.946 -0.773) 4.024 46.561 ( -1.876 1.396 2.342) 3.309 46.856 ( -0.471 0.366 -2.022) 2.108 89.120 ( 8.685 -4.174 -1.234) 9.715 89.424 ( 5.243 2.694 1.039) 5.986 89.749 ( -3.333 3.206 -2.228) 5.133 90.542 ( 7.766 5.022 3.268) 9.808 ======================= Grid point 173 (77/196) ======================= q-point: (-0.40 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 3.075 0.000 6.321) 7.029 2.544 ( -5.784 -0.000 2.952) 6.493 2.661 ( -0.986 -0.000 -0.433) 1.076 3.018 ( 7.046 0.000 13.174) 14.940 3.057 ( -0.963 -0.000 -5.953) 6.030 3.532 ( -4.131 -0.000 -5.499) 6.878 3.642 ( 5.832 0.000 3.625) 6.866 3.651 ( 6.062 0.000 0.958) 6.138 3.920 ( -4.247 -0.000 -10.047) 10.908 4.443 ( -12.799 -0.000 2.441) 13.029 4.664 ( -3.152 -0.000 5.794) 6.596 4.985 ( 18.004 0.000 -10.414) 20.799 5.356 ( -9.446 -0.000 -8.173) 12.491 5.545 ( 0.709 0.000 -0.482) 0.858 6.008 ( -1.013 -0.000 13.361) 13.399 6.569 ( -8.748 -0.000 4.994) 10.073 7.157 ( -2.007 -0.000 -6.832) 7.121 7.450 ( -1.614 -0.000 -5.003) 5.257 7.988 ( -0.646 -0.000 0.666) 0.928 8.027 ( -4.800 -0.000 0.189) 4.803 8.415 ( 3.246 0.000 -2.348) 4.006 8.453 ( 1.740 0.000 -3.601) 4.000 9.025 ( -6.419 -0.000 2.953) 7.066 9.043 ( -10.216 -0.000 1.857) 10.384 9.202 ( 11.179 0.000 2.587) 11.474 9.539 ( 2.713 0.000 -1.994) 3.367 11.441 ( -9.691 -0.000 -1.986) 9.892 11.494 ( -6.005 -0.000 -4.855) 7.722 12.102 ( 3.826 0.000 3.675) 5.305 12.397 ( 5.606 0.000 3.549) 6.635 12.502 ( 8.867 0.000 -4.273) 9.843 13.111 ( -1.618 -0.000 -1.293) 2.072 13.816 ( 10.067 0.000 7.739) 12.698 13.850 ( 5.266 0.000 -4.734) 7.082 22.487 ( -5.289 -0.000 -1.523) 5.504 22.669 ( -3.923 -0.000 0.243) 3.931 23.439 ( -0.085 -0.000 3.115) 3.116 23.680 ( 2.933 0.000 -1.659) 3.370 23.826 ( -0.671 -0.000 -2.058) 2.164 24.096 ( 10.855 0.000 5.891) 12.351 25.429 ( -1.269 -0.000 0.690) 1.445 25.795 ( -8.326 -0.000 -0.841) 8.368 25.908 ( 3.480 0.000 5.636) 6.624 25.996 ( 5.435 0.000 -10.768) 12.062 29.221 ( 0.675 0.000 3.754) 3.814 29.650 ( 5.366 0.000 4.877) 7.251 29.818 ( -0.687 -0.000 3.731) 3.794 30.276 ( 1.328 0.000 -10.113) 10.200 46.650 ( -2.329 -0.000 2.460) 3.388 46.990 ( -2.219 -0.000 -3.579) 4.211 88.815 ( 7.626 0.000 -1.478) 7.768 89.069 ( 11.947 0.000 2.108) 12.132 90.229 ( 8.376 0.000 8.927) 12.241 90.250 ( -5.977 -0.000 -8.405) 10.314 ======================= Grid point 174 (78/196) ======================= q-point: (-0.30 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -4.591 -0.991 4.699) 6.644 2.384 ( -12.581 3.439 2.001) 13.196 2.668 ( -1.484 -1.328 -0.288) 2.012 3.025 ( 3.816 1.370 -5.358) 6.719 3.197 ( 1.855 1.299 7.031) 7.386 3.354 ( -5.389 6.360 -0.797) 8.374 3.574 ( 0.869 8.719 -0.394) 8.771 3.796 ( 0.381 1.764 -8.601) 8.789 3.883 ( 1.766 -10.509 0.608) 10.674 4.257 ( -10.255 3.055 1.618) 10.822 4.700 ( -2.110 -5.014 4.231) 6.891 5.055 ( -9.057 4.978 -6.655) 12.293 5.184 ( 14.495 4.165 -8.028) 17.085 5.621 ( 0.748 -9.335 -0.328) 9.371 6.052 ( -2.319 5.133 12.001) 13.257 6.551 ( -5.324 -5.300 9.698) 12.267 7.058 ( 1.009 6.273 -9.314) 11.275 7.395 ( -3.274 -1.582 -2.839) 4.613 7.949 ( -3.851 -0.439 -0.313) 3.889 7.991 ( -1.734 -1.838 -0.996) 2.716 8.430 ( 2.181 1.269 -2.764) 3.743 8.452 ( 1.560 -0.054 -2.998) 3.380 8.881 ( -11.180 2.692 3.337) 11.973 8.972 ( -2.052 2.011 1.159) 3.098 9.356 ( 7.686 2.042 2.807) 8.433 9.523 ( -2.967 -0.912 -0.988) 3.257 11.301 ( -7.927 -1.011 -1.677) 8.165 11.400 ( -3.417 -1.059 -4.211) 5.525 12.184 ( 4.104 0.567 2.609) 4.896 12.487 ( 3.426 0.176 3.281) 4.747 12.643 ( 12.971 -2.365 -4.831) 14.042 13.097 ( 0.212 -0.203 -0.025) 0.295 13.891 ( 4.122 -1.317 -5.213) 6.775 14.015 ( 9.266 0.849 8.553) 12.638 22.409 ( -3.928 -0.263 -1.331) 4.155 22.613 ( -4.212 -0.301 0.655) 4.274 23.475 ( 0.689 -0.572 3.803) 3.907 23.713 ( 2.338 -0.188 -0.653) 2.434 23.807 ( 0.758 -0.712 -4.338) 4.461 24.274 ( 8.897 0.910 5.067) 10.279 25.365 ( -1.924 7.396 0.427) 7.654 25.680 ( -7.024 -0.256 0.530) 7.048 25.973 ( 4.002 1.433 -6.839) 8.052 26.059 ( 4.573 -6.233 3.074) 8.319 29.254 ( 0.478 -0.154 2.652) 2.699 29.772 ( 5.124 -1.159 5.454) 7.572 29.834 ( -0.800 0.268 4.265) 4.347 30.214 ( 2.606 1.505 -12.437) 12.796 46.625 ( -3.016 0.669 2.795) 4.166 46.925 ( -2.548 0.492 -3.493) 4.352 88.929 ( 8.902 -0.403 -1.591) 9.052 89.275 ( 13.288 -0.215 2.647) 13.551 90.061 ( -7.131 4.048 -7.919) 11.400 90.446 ( 9.990 -0.359 10.134) 14.234 ======================= Grid point 175 (79/196) ======================= q-point: (-0.20 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -19.516 0.487 0.448) 19.527 2.286 ( -10.149 -2.274 1.822) 10.558 2.599 ( -4.077 6.529 1.401) 7.824 2.996 ( -2.558 1.029 -9.838) 10.217 3.053 ( -1.948 11.026 0.278) 11.200 3.336 ( 1.494 -0.574 -1.560) 2.235 3.514 ( -1.304 1.630 5.397) 5.786 3.755 ( 3.175 2.265 -4.146) 5.692 3.957 ( -3.945 -5.056 -0.853) 6.470 4.126 ( -8.511 -1.951 1.669) 8.890 4.673 ( -10.820 -0.381 -6.068) 12.411 4.884 ( -0.579 -1.622 2.237) 2.823 5.333 ( 14.371 3.064 -2.380) 14.885 5.783 ( 4.319 -11.663 -0.801) 12.463 5.985 ( -6.789 6.631 8.834) 12.965 6.650 ( -3.809 -6.680 11.855) 14.131 6.914 ( 5.295 10.329 -12.089) 16.759 7.328 ( -6.660 1.284 2.081) 7.095 7.925 ( -0.052 -1.870 -0.904) 2.077 7.994 ( 0.068 -1.638 -0.711) 1.787 8.414 ( -0.417 0.683 -1.861) 2.026 8.456 ( 1.598 0.145 -1.971) 2.542 8.724 ( -8.252 2.827 3.671) 9.464 8.922 ( -0.211 3.035 -1.795) 3.532 9.380 ( -1.308 3.674 1.392) 4.141 9.512 ( 0.614 -0.893 0.066) 1.086 11.220 ( -4.009 -2.340 -2.465) 5.256 11.358 ( -0.994 -1.435 -2.910) 3.393 12.232 ( 1.069 0.871 2.821) 3.140 12.539 ( 1.483 0.350 2.321) 2.776 12.849 ( 14.023 -3.694 -4.667) 15.234 13.112 ( 0.714 -0.142 0.402) 0.832 13.929 ( 2.159 -3.120 -4.040) 5.542 14.171 ( 6.526 3.137 8.592) 11.236 22.366 ( -1.595 -0.625 -0.883) 1.927 22.570 ( -2.766 -0.204 0.917) 2.921 23.512 ( 0.191 0.001 2.943) 2.949 23.752 ( 0.661 -3.044 0.167) 3.119 23.797 ( 1.253 -0.497 -5.106) 5.281 24.401 ( 6.321 2.074 4.271) 7.906 25.210 ( -3.480 10.759 0.106) 11.308 25.605 ( -4.583 0.165 1.471) 4.816 25.956 ( 4.220 1.263 -8.863) 9.897 26.250 ( 3.452 -8.029 7.526) 11.534 29.272 ( 0.146 0.354 0.993) 1.064 29.836 ( -0.374 1.136 2.900) 3.137 29.910 ( 3.302 -2.991 6.492) 7.873 30.134 ( 3.556 3.459 -13.875) 14.736 46.590 ( -3.173 0.880 2.902) 4.389 46.862 ( -2.072 0.126 -2.931) 3.592 89.055 ( 8.090 -1.443 -1.148) 8.297 89.471 ( 10.770 1.097 2.159) 11.039 89.841 ( -8.513 3.604 -6.821) 11.489 90.655 ( 10.252 3.870 11.159) 15.640 ======================= Grid point 176 (80/196) ======================= q-point: (-0.10 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -18.808 -4.271 -1.435) 19.340 2.136 ( -14.283 -4.698 -3.267) 15.387 2.430 ( -5.366 12.368 4.513) 14.217 2.839 ( -3.910 3.919 -7.254) 9.125 2.935 ( -2.399 1.023 -1.623) 3.072 3.403 ( 4.736 -3.922 -6.150) 8.697 3.507 ( -2.680 -1.885 2.195) 3.944 3.749 ( 0.397 1.947 -0.429) 2.032 3.946 ( -4.206 -3.498 1.859) 5.778 4.049 ( -7.833 -2.930 1.722) 8.539 4.468 ( -10.992 -3.525 -7.287) 13.651 4.967 ( 2.447 -2.306 3.933) 5.174 5.469 ( 8.223 1.304 1.253) 8.420 5.802 ( -13.390 5.991 8.685) 17.047 6.039 ( 9.645 -13.599 -5.018) 17.411 6.709 ( 0.717 3.011 1.682) 3.523 6.841 ( 4.637 3.368 -2.916) 6.430 7.203 ( -9.582 4.179 6.831) 12.488 7.969 ( 3.803 -0.948 -0.741) 3.989 8.032 ( 4.384 0.499 0.840) 4.492 8.374 ( -4.147 -1.684 -1.349) 4.675 8.461 ( 2.040 2.842 0.549) 3.541 8.650 ( -3.875 -1.685 2.524) 4.922 8.878 ( 2.171 2.171 -4.234) 5.230 9.298 ( -3.957 3.123 -0.410) 5.058 9.531 ( 1.425 0.746 0.357) 1.648 11.205 ( 0.380 -2.971 -3.612) 4.692 11.362 ( 1.209 -1.392 -1.344) 2.282 12.238 ( -1.858 0.614 3.237) 3.782 12.556 ( -0.505 0.460 1.588) 1.729 13.041 ( 10.128 -2.770 -4.076) 11.264 13.107 ( -1.269 0.519 -0.550) 1.478 13.976 ( 0.110 -4.419 -0.895) 4.510 14.235 ( 2.424 6.633 7.105) 10.017 22.367 ( 0.958 -1.012 -0.225) 1.411 22.552 ( -0.469 0.280 0.869) 1.027 23.522 ( -0.349 0.783 1.598) 1.813 23.750 ( -2.584 -1.821 -4.944) 5.868 23.828 ( 0.778 -4.095 0.504) 4.199 24.459 ( 3.314 5.123 3.409) 6.989 25.031 ( -4.615 7.695 0.679) 8.998 25.563 ( -1.900 0.653 1.470) 2.489 25.940 ( 4.371 1.108 -8.845) 9.928 26.442 ( 1.466 -6.265 9.943) 11.843 29.262 ( -0.244 1.286 -0.633) 1.454 29.822 ( -0.447 2.550 0.511) 2.638 30.026 ( 3.669 5.225 -7.759) 10.048 30.042 ( 0.487 -4.900 0.612) 4.962 46.557 ( -2.721 0.544 2.711) 3.879 46.827 ( -0.868 -1.045 -2.078) 2.482 89.175 ( 5.538 -2.400 -0.797) 6.088 89.509 ( -2.482 5.377 -2.202) 6.318 89.703 ( -1.015 -0.041 -0.819) 1.304 90.775 ( 5.888 9.033 9.882) 14.626 ======================= Grid point 184 (81/196) ======================= q-point: (-0.30 -0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -19.543 -0.000 -0.145) 19.543 2.194 ( -16.200 -0.000 3.938) 16.672 2.691 ( 3.319 0.000 -1.491) 3.638 2.989 ( -1.355 -0.000 -10.759) 10.844 3.289 ( -5.964 -0.000 1.535) 6.158 3.290 ( -2.134 -0.000 4.877) 5.323 3.593 ( -3.228 -0.000 -3.296) 4.613 3.747 ( -5.496 -0.000 4.070) 6.839 3.834 ( 1.483 0.000 -2.085) 2.559 4.123 ( -9.026 -0.000 -2.345) 9.326 4.695 ( 1.685 0.000 2.047) 2.651 4.824 ( -14.135 -0.000 -11.188) 18.027 5.392 ( 15.017 0.000 -4.378) 15.642 5.613 ( 3.910 0.000 3.643) 5.344 6.093 ( -9.148 -0.000 10.581) 13.987 6.541 ( -2.619 -0.000 13.328) 13.583 7.078 ( 3.795 0.000 -9.817) 10.525 7.319 ( -2.307 -0.000 -2.666) 3.526 7.902 ( -0.264 -0.000 -0.644) 0.696 7.969 ( 1.126 0.000 -0.250) 1.153 8.424 ( -1.735 -0.000 -3.041) 3.501 8.443 ( 1.116 0.000 -2.384) 2.632 8.784 ( -9.356 -0.000 5.915) 11.069 8.958 ( -1.360 -0.000 -1.917) 2.350 9.445 ( -4.603 -0.000 -1.166) 4.749 9.485 ( 4.720 0.000 2.508) 5.345 11.185 ( -5.869 -0.000 0.186) 5.872 11.342 ( 1.171 0.000 -6.050) 6.163 12.244 ( 0.746 0.000 2.839) 2.935 12.544 ( 0.901 0.000 3.300) 3.421 12.800 ( 15.214 0.000 -5.233) 16.089 13.110 ( 1.106 0.000 0.436) 1.189 13.888 ( 1.877 0.000 -4.707) 5.068 14.211 ( 7.554 0.000 9.566) 12.189 22.358 ( -1.604 -0.000 -1.076) 1.932 22.567 ( -2.427 -0.000 0.875) 2.579 23.510 ( 0.367 0.000 3.979) 3.996 23.715 ( -1.018 -0.000 -1.060) 1.469 23.791 ( 2.152 0.000 -4.599) 5.077 24.423 ( 6.499 0.000 3.863) 7.560 25.403 ( -0.846 -0.000 -0.138) 0.857 25.577 ( -6.703 -0.000 1.287) 6.826 25.982 ( 4.869 0.000 -11.626) 12.604 26.118 ( 2.290 0.000 11.346) 11.575 29.276 ( 0.552 0.000 1.368) 1.475 29.855 ( -1.024 -0.000 4.908) 5.014 29.868 ( 3.272 0.000 5.672) 6.548 30.183 ( 5.638 0.000 -15.398) 16.398 46.601 ( -3.660 -0.000 3.127) 4.814 46.863 ( -2.697 -0.000 -3.280) 4.246 89.039 ( 7.811 0.000 -1.148) 7.894 89.483 ( 12.329 0.000 2.693) 12.620 89.890 ( -9.811 -0.000 -9.372) 13.568 90.707 ( 12.149 0.000 15.070) 19.358 ======================= Grid point 185 (82/196) ======================= q-point: (-0.20 -0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -22.663 2.173 -1.723) 22.832 1.982 ( -21.945 -6.436 1.769) 22.938 2.678 ( 0.021 6.228 0.095) 6.228 2.844 ( -9.840 -0.851 -5.594) 11.351 3.124 ( -6.573 9.460 -2.234) 11.734 3.288 ( -1.355 -3.918 -2.220) 4.703 3.512 ( -5.174 1.690 0.675) 5.485 3.690 ( -13.570 -7.546 4.844) 16.265 3.866 ( 2.331 -0.656 0.911) 2.587 4.001 ( -4.350 -0.599 -3.799) 5.806 4.498 ( -10.067 5.235 -11.049) 15.838 4.803 ( 0.568 -8.967 -0.853) 9.026 5.534 ( 9.654 3.404 -0.103) 10.237 5.767 ( 7.767 -7.331 1.074) 10.734 5.943 ( -16.479 3.840 8.866) 19.102 6.643 ( -1.110 -3.359 14.134) 14.570 7.015 ( 3.202 5.889 -9.391) 11.537 7.267 ( -4.695 0.683 0.779) 4.808 7.955 ( 8.027 -0.220 -2.255) 8.340 8.025 ( 5.438 -0.592 1.421) 5.652 8.345 ( -6.543 -0.549 -1.795) 6.807 8.463 ( 2.340 -0.951 -0.409) 2.559 8.694 ( -6.132 2.536 5.476) 8.603 8.913 ( -0.009 0.641 -5.673) 5.709 9.366 ( -3.188 1.738 -1.726) 4.020 9.543 ( 1.120 0.254 1.991) 2.298 11.140 ( -2.141 -1.619 0.682) 2.769 11.342 ( 4.434 -0.455 -6.361) 7.768 12.249 ( -2.794 0.232 3.576) 4.544 12.561 ( -1.409 0.073 2.686) 3.034 12.986 ( 13.442 -1.352 -4.896) 14.370 13.116 ( -0.684 0.223 -0.342) 0.797 13.890 ( 0.701 -2.020 -2.579) 3.350 14.358 ( 4.843 2.802 9.830) 11.311 22.349 ( 1.002 -0.390 -0.691) 1.278 22.556 ( 0.039 0.053 0.866) 0.868 23.533 ( -0.805 0.170 3.258) 3.360 23.688 ( -2.428 -1.780 -1.941) 3.582 23.789 ( 0.760 -0.339 -3.002) 3.115 24.522 ( 4.495 0.788 3.027) 5.476 25.296 ( -3.166 10.996 -0.997) 11.486 25.535 ( -3.967 -3.419 1.172) 5.366 25.963 ( 4.352 0.830 -9.924) 10.868 26.276 ( 1.543 -5.489 14.057) 15.170 29.287 ( 0.529 0.565 0.082) 0.779 29.869 ( -0.986 1.151 4.802) 5.035 29.945 ( 0.854 -2.101 3.633) 4.283 30.151 ( 7.819 3.173 -16.293) 18.349 46.567 ( -3.783 0.226 3.206) 4.964 46.807 ( -2.184 -0.461 -2.725) 3.523 89.138 ( 6.045 -0.688 -0.414) 6.098 89.612 ( -1.663 2.395 -5.209) 5.969 89.703 ( -0.771 0.011 -0.541) 0.942 90.971 ( 11.008 5.256 16.997) 20.921 ======================= Grid point 186 (83/196) ======================= q-point: (-0.10 -0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -22.378 -3.717 -2.779) 22.854 1.760 ( -21.545 -9.735 -0.301) 23.644 2.529 ( -7.132 11.410 3.857) 13.997 2.699 ( -11.313 -5.036 -0.217) 12.385 2.891 ( -8.268 5.613 -1.742) 10.144 3.333 ( 1.689 -7.134 -7.933) 10.802 3.411 ( -8.276 -1.402 0.173) 8.396 3.598 ( -15.845 -8.198 3.271) 18.137 3.895 ( 1.574 0.800 -1.113) 2.087 3.982 ( 0.602 -3.156 -0.713) 3.291 4.253 ( -7.200 1.498 -10.595) 12.897 4.918 ( 0.121 -8.747 -0.646) 8.771 5.601 ( 4.386 3.143 1.920) 5.727 5.696 ( -16.594 3.793 7.859) 18.749 6.008 ( 9.270 -10.447 -0.495) 13.975 6.770 ( 0.921 -2.094 11.149) 11.382 6.922 ( 2.698 5.544 -7.328) 9.577 7.176 ( -6.395 3.188 4.350) 8.365 8.044 ( 5.718 1.105 -3.167) 6.630 8.129 ( 1.294 -1.116 2.908) 3.373 8.272 ( 0.537 -0.072 -0.064) 0.546 8.522 ( 4.048 -0.268 1.462) 4.312 8.637 ( -2.162 2.142 3.772) 4.847 8.871 ( 1.705 -0.330 -9.132) 9.296 9.284 ( -1.976 3.372 -1.434) 4.163 9.553 ( -0.478 -0.167 1.093) 1.205 11.168 ( 1.579 -2.703 0.464) 3.165 11.390 ( 7.019 -0.741 -5.341) 8.851 12.214 ( -5.354 -0.008 3.988) 6.676 12.541 ( -3.636 -0.062 2.125) 4.212 13.071 ( -2.332 1.108 -2.219) 3.405 13.135 ( 8.289 -0.907 -3.696) 9.121 13.915 ( -1.435 -3.248 0.530) 3.590 14.402 ( 0.625 8.074 8.151) 11.490 22.387 ( 3.505 -0.857 0.114) 3.610 22.575 ( 2.177 0.373 0.497) 2.264 23.529 ( -1.772 0.451 1.973) 2.690 23.653 ( -3.506 -1.494 -1.932) 4.273 23.782 ( -1.547 -2.173 -1.451) 3.036 24.574 ( 2.693 3.215 2.162) 4.718 25.069 ( -6.590 11.547 -0.735) 13.315 25.537 ( -1.274 -2.456 -0.361) 2.790 25.949 ( 4.041 0.761 -8.330) 9.290 26.475 ( 0.534 -5.267 16.325) 17.162 29.277 ( 0.376 1.695 -0.783) 1.905 29.859 ( -0.703 3.254 1.966) 3.866 29.988 ( 1.438 -1.874 -6.607) 7.016 30.088 ( 3.043 4.418 -6.981) 8.804 46.536 ( -3.325 -0.085 2.958) 4.451 46.780 ( -1.002 -1.838 -2.016) 2.906 89.211 ( 2.005 0.004 -0.583) 2.088 89.411 ( -9.190 0.209 -5.269) 10.595 89.760 ( 2.920 3.550 2.225) 5.107 91.079 ( 3.581 15.346 14.601) 21.483 ======================= Grid point 195 (84/196) ======================= q-point: (-0.20 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -23.868 -0.000 -4.281) 24.248 1.589 ( -27.774 -0.000 5.258) 28.268 2.613 ( -18.599 -0.000 1.519) 18.661 2.696 ( -6.173 -0.000 2.127) 6.529 3.040 ( -9.467 -0.000 -3.266) 10.015 3.222 ( 0.287 0.000 -6.618) 6.624 3.373 ( -24.189 -0.000 8.917) 25.780 3.447 ( -4.716 -0.000 -3.333) 5.775 3.927 ( 4.317 0.000 -1.159) 4.470 3.927 ( -2.220 -0.000 -2.877) 3.634 4.316 ( -6.698 -0.000 -14.273) 15.767 4.752 ( 1.972 0.000 -1.324) 2.375 5.685 ( 7.044 0.000 0.292) 7.050 5.707 ( -13.886 -0.000 -1.170) 13.935 5.882 ( 1.047 0.000 11.868) 11.914 6.724 ( 0.324 0.000 13.916) 13.919 7.005 ( -0.891 -0.000 -5.231) 5.307 7.213 ( -4.542 -0.000 0.858) 4.623 8.052 ( 1.594 0.000 -6.053) 6.259 8.124 ( 5.371 0.000 2.881) 6.095 8.274 ( 4.534 0.000 0.910) 4.625 8.512 ( 4.318 0.000 2.400) 4.940 8.675 ( -2.879 -0.000 3.690) 4.680 8.866 ( 1.233 0.000 -10.769) 10.839 9.329 ( -1.288 -0.000 -2.066) 2.435 9.550 ( -2.519 -0.000 2.072) 3.262 11.135 ( 0.830 0.000 3.027) 3.139 11.377 ( 7.814 0.000 -7.832) 11.063 12.214 ( -5.952 -0.000 4.403) 7.403 12.539 ( -4.046 -0.000 2.451) 4.730 13.086 ( -2.513 -0.000 -1.865) 3.129 13.121 ( 10.494 0.000 -4.643) 11.475 13.871 ( -0.079 -0.000 -0.578) 0.584 14.512 ( 3.526 0.000 10.382) 10.965 22.376 ( 3.521 0.000 -0.135) 3.524 22.580 ( 2.314 0.000 0.473) 2.362 23.532 ( -2.700 -0.000 3.133) 4.136 23.632 ( -2.344 -0.000 -0.703) 2.447 23.759 ( -1.555 -0.000 -2.738) 3.149 24.601 ( 3.382 0.000 2.153) 4.009 25.335 ( -1.868 -0.000 -6.501) 6.764 25.429 ( -5.491 -0.000 1.912) 5.815 25.963 ( 4.576 0.000 -9.452) 10.501 26.384 ( 0.644 0.000 21.941) 21.950 29.299 ( 0.798 0.000 -0.454) 0.918 29.898 ( -1.281 -0.000 5.591) 5.736 29.949 ( 0.738 0.000 -1.474) 1.649 30.178 ( 8.659 0.000 -17.635) 19.647 46.535 ( -3.901 -0.000 3.243) 5.073 46.755 ( -1.832 -0.000 -2.297) 2.938 89.210 ( 4.442 0.000 0.442) 4.464 89.415 ( -12.931 -0.000 -7.332) 14.865 89.807 ( 6.211 0.000 1.846) 6.479 91.314 ( 11.331 0.000 20.106) 23.079 ======================= Grid point 196 (85/196) ======================= q-point: (-0.10 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -24.814 -0.067 1.194) 24.843 1.296 ( -26.112 -10.973 4.321) 28.652 2.323 ( -32.524 -5.578 9.103) 34.231 2.525 ( -15.615 2.044 5.048) 16.538 2.839 ( -6.650 8.340 -0.872) 10.702 3.150 ( -8.632 -5.528 -5.090) 11.445 3.232 ( -6.687 -8.672 -1.163) 11.013 3.369 ( -5.413 -1.840 -1.413) 5.889 3.884 ( -1.857 -0.651 -2.054) 2.845 3.971 ( 4.813 -0.981 -5.905) 7.681 4.127 ( -2.805 2.077 -13.660) 14.099 4.818 ( 0.955 -6.007 -0.691) 6.122 5.501 ( -13.032 -2.777 2.441) 13.546 5.746 ( 3.346 4.780 4.058) 7.107 6.041 ( 5.783 -5.616 5.797) 9.929 6.830 ( -0.560 -2.427 10.220) 10.519 6.960 ( 2.162 2.625 -2.525) 4.236 7.145 ( -5.106 1.206 2.522) 5.821 7.921 ( -12.129 -2.548 -3.522) 12.885 8.171 ( -0.158 2.385 2.974) 3.815 8.449 ( 15.010 3.185 -1.435) 15.411 8.613 ( 4.060 -0.770 5.502) 6.881 8.682 ( 4.254 1.861 0.204) 4.647 8.797 ( 1.574 -0.813 -14.902) 15.007 9.307 ( 1.249 2.151 -0.060) 2.488 9.513 ( -4.492 -1.952 0.885) 4.977 11.200 ( 3.246 -0.802 4.544) 5.641 11.459 ( 10.241 -1.160 -7.275) 12.615 12.146 ( -7.824 -0.233 4.802) 9.183 12.482 ( -6.181 -0.224 2.197) 6.563 13.028 ( -2.037 0.614 -3.055) 3.723 13.213 ( 6.322 0.308 -3.802) 7.384 13.867 ( -2.482 -0.969 1.117) 2.889 14.571 ( 0.539 8.706 7.571) 11.550 22.451 ( 5.800 -0.485 1.570) 6.029 22.623 ( 3.478 0.201 -0.009) 3.484 23.501 ( -4.393 0.059 2.176) 4.903 23.604 ( -1.872 0.096 1.151) 2.200 23.712 ( -3.191 -1.187 -2.188) 4.047 24.649 ( 2.481 1.525 0.616) 2.977 25.099 ( -8.033 13.929 -6.756) 17.441 25.442 ( -1.958 -7.491 -3.503) 8.498 25.963 ( 4.361 0.736 -6.975) 8.259 26.599 ( 1.885 -1.065 27.619) 27.703 29.300 ( 0.830 1.267 -0.485) 1.591 29.901 ( -0.950 2.950 1.612) 3.494 29.942 ( 2.031 -0.628 -9.089) 9.334 30.108 ( 1.604 4.575 -13.986) 14.802 46.505 ( -3.473 -0.283 2.934) 4.555 46.729 ( -0.846 -1.706 -1.799) 2.620 89.164 ( -11.018 2.248 -4.343) 12.055 89.292 ( 1.636 -3.052 0.510) 3.500 89.861 ( 2.274 4.245 0.663) 4.861 91.470 ( 4.602 20.984 13.954) 25.617 ======================= Grid point 206 (86/196) ======================= q-point: (-0.10 -0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -22.834 -0.000 13.067) 26.308 0.833 ( -29.908 -0.000 9.299) 31.321 1.766 ( -49.507 -0.000 17.118) 52.383 2.267 ( -22.755 -0.000 5.345) 23.374 2.854 ( -3.878 -0.000 0.001) 3.878 2.963 ( -4.589 -0.000 3.422) 5.724 3.077 ( -3.385 -0.000 -6.979) 7.757 3.301 ( -3.076 -0.000 0.939) 3.216 3.819 ( -3.134 -0.000 -7.358) 7.998 4.004 ( 9.527 0.000 -11.078) 14.611 4.007 ( -2.095 -0.000 -9.320) 9.553 4.791 ( -0.746 -0.000 0.729) 1.043 5.306 ( -10.129 -0.000 1.264) 10.207 5.886 ( 5.840 0.000 6.959) 9.085 6.112 ( 2.053 0.000 8.560) 8.803 6.833 ( -3.644 -0.000 5.257) 6.396 7.045 ( 6.777 0.000 3.071) 7.441 7.096 ( -4.197 -0.000 1.360) 4.411 7.686 ( -14.304 -0.000 -2.197) 14.472 8.177 ( -3.583 -0.000 2.593) 4.422 8.623 ( 6.014 0.000 -20.429) 21.296 8.649 ( -0.274 -0.000 2.445) 2.460 8.737 ( 6.813 0.000 -2.559) 7.277 8.820 ( 9.882 0.000 1.704) 10.028 9.385 ( 6.680 0.000 1.431) 6.831 9.394 ( -9.053 -0.000 0.509) 9.067 11.300 ( 3.776 0.000 8.606) 9.398 11.556 ( 12.003 0.000 -7.719) 14.270 12.066 ( -7.455 -0.000 5.888) 9.500 12.394 ( -7.750 -0.000 2.280) 8.078 12.994 ( 0.318 0.000 -3.240) 3.256 13.265 ( 4.091 0.000 -3.191) 5.189 13.830 ( -3.185 -0.000 0.662) 3.253 14.688 ( 0.715 0.000 -4.423) 4.480 22.580 ( 9.162 0.000 6.753) 11.382 22.676 ( 3.541 0.000 0.012) 3.541 23.447 ( -5.469 -0.000 2.763) 6.127 23.600 ( -1.035 -0.000 2.263) 2.489 23.639 ( -3.517 -0.000 -1.727) 3.918 24.686 ( 1.404 0.000 -4.303) 4.526 24.983 ( -11.441 -0.000 -22.818) 25.526 25.300 ( -4.025 -0.000 -0.385) 4.044 25.992 ( 4.415 0.000 -4.255) 6.131 26.937 ( 11.972 0.000 37.314) 39.188 29.320 ( 0.923 0.000 0.140) 0.934 29.827 ( -2.099 -0.000 -34.729) 34.793 29.929 ( -1.959 -0.000 4.681) 5.075 30.031 ( -2.408 -0.000 -7.682) 8.050 46.474 ( -3.090 -0.000 2.548) 4.005 46.694 ( -0.521 -0.000 -1.442) 1.534 88.983 ( -9.989 -0.000 -3.190) 10.486 89.317 ( 1.890 0.000 1.688) 2.534 89.924 ( 1.972 0.000 -1.084) 2.251 91.769 ( 4.379 0.000 -18.445) 18.957 ======================= Grid point 207 (87/196) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.191 -0.000 20.640) 20.641 1.038 ( -7.316 -0.000 20.347) 21.623 1.822 ( -18.525 -0.000 35.481) 40.026 2.023 ( -4.166 -0.000 6.365) 7.607 2.592 ( 1.864 0.000 -10.759) 10.919 2.799 ( -4.199 -0.000 2.369) 4.821 3.323 ( 13.814 0.000 -1.499) 13.895 3.469 ( 1.211 0.000 5.483) 5.615 3.764 ( 0.559 0.000 -2.359) 2.424 3.901 ( 13.036 0.000 -15.195) 20.021 4.489 ( 10.147 0.000 3.168) 10.630 4.694 ( -1.903 -0.000 -0.731) 2.038 5.126 ( -3.731 -0.000 1.563) 4.045 5.988 ( 0.591 0.000 -19.651) 19.660 6.433 ( -6.319 -0.000 13.128) 14.570 6.889 ( -1.893 -0.000 2.334) 3.005 7.053 ( -1.980 -0.000 0.557) 2.057 7.251 ( -3.231 -0.000 -5.934) 6.756 7.608 ( 9.765 0.000 10.845) 14.593 8.102 ( -4.774 -0.000 1.136) 4.907 8.365 ( 20.684 0.000 -3.838) 21.037 8.407 ( -7.204 -0.000 -9.778) 12.146 8.915 ( 3.197 0.000 2.192) 3.876 9.033 ( -5.157 -0.000 -0.922) 5.239 9.253 ( 2.603 0.000 3.787) 4.595 9.514 ( -0.527 -0.000 -3.133) 3.177 11.355 ( -13.515 -0.000 2.543) 13.752 11.719 ( 15.607 0.000 -6.222) 16.802 12.242 ( -8.129 -0.000 2.585) 8.530 12.381 ( 6.511 0.000 -0.925) 6.576 12.890 ( -28.704 -0.000 1.603) 28.749 12.997 ( 6.592 0.000 -1.545) 6.770 13.427 ( 2.263 0.000 4.034) 4.625 13.693 ( -1.600 -0.000 -3.141) 3.525 22.829 ( 1.484 0.000 3.911) 4.183 23.124 ( -10.167 -0.000 -4.606) 11.161 23.391 ( -10.950 -0.000 1.488) 11.051 23.484 ( 0.610 0.000 -1.857) 1.955 23.690 ( -2.367 -0.000 2.635) 3.542 23.800 ( 27.138 0.000 -0.664) 27.146 24.807 ( -0.617 -0.000 3.484) 3.538 25.130 ( -0.030 -0.000 -4.868) 4.869 26.182 ( 8.200 0.000 4.636) 9.420 26.500 ( -28.143 -0.000 -3.994) 28.425 29.409 ( -0.297 -0.000 3.290) 3.303 29.748 ( 9.412 0.000 -7.217) 11.861 29.967 ( -6.704 -0.000 4.029) 7.821 30.204 ( 20.774 0.000 -0.647) 20.785 46.485 ( -2.233 -0.000 2.808) 3.588 46.655 ( 1.682 0.000 -1.769) 2.441 88.827 ( -23.562 -0.000 -0.080) 23.562 88.829 ( 5.076 0.000 -0.193) 5.079 89.451 ( -2.150 -0.000 5.101) 5.536 89.838 ( 0.874 0.000 -5.241) 5.314 ======================= Grid point 208 (88/196) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 7.577 -7.215 17.248) 20.173 1.405 ( 20.495 -13.518 16.971) 29.846 1.820 ( -7.940 -3.012 21.602) 23.211 2.169 ( 6.600 -7.745 5.940) 11.783 2.587 ( 5.611 1.691 -2.225) 6.269 2.815 ( -1.084 -6.962 -0.407) 7.058 3.486 ( 7.828 2.673 2.917) 8.771 3.568 ( 8.290 -3.912 -0.059) 9.167 3.743 ( -1.797 -1.035 -1.774) 2.729 3.978 ( 13.197 -0.957 -17.409) 21.866 4.546 ( 1.380 1.906 2.284) 3.279 4.687 ( -3.021 -1.528 0.121) 3.388 5.124 ( -2.997 -3.100 3.263) 5.407 5.836 ( -0.134 0.657 -16.584) 16.598 6.363 ( -10.183 5.788 11.521) 16.429 6.864 ( -5.277 -3.090 -0.127) 6.117 6.984 ( -2.933 5.588 0.876) 6.371 7.160 ( -8.400 -5.039 1.011) 9.848 7.836 ( 9.336 -0.426 10.298) 13.907 8.048 ( -4.389 -0.767 0.020) 4.456 8.259 ( -2.530 -2.665 -11.640) 12.206 8.555 ( 9.511 4.568 -6.417) 12.349 8.909 ( -6.966 3.695 -0.360) 7.894 9.051 ( 11.389 -1.221 1.334) 11.531 9.328 ( 3.260 -0.965 1.804) 3.849 9.436 ( -5.075 1.564 -2.251) 5.768 11.241 ( -4.449 -1.503 -0.399) 4.713 11.903 ( 14.280 -0.094 -4.230) 14.894 12.104 ( -10.737 4.376 3.634) 12.151 12.281 ( -13.566 -2.619 7.189) 15.575 12.824 ( 11.533 2.408 -5.565) 13.030 13.082 ( 3.870 -0.422 0.890) 3.994 13.546 ( 7.506 -0.982 4.207) 8.660 13.721 ( 5.375 -4.564 -3.946) 8.080 22.807 ( -6.940 4.523 2.918) 8.783 22.891 ( -10.352 0.790 1.767) 10.532 23.381 ( -0.329 -3.621 1.706) 4.017 23.532 ( 3.993 -2.293 0.859) 4.684 23.684 ( 1.002 0.314 0.410) 1.127 24.124 ( 20.686 2.571 -9.854) 23.057 24.868 ( 4.874 -0.104 3.828) 6.199 25.150 ( 3.828 -6.003 -6.701) 9.777 26.103 ( -18.690 4.634 2.466) 19.413 26.359 ( 5.702 -2.146 6.335) 8.789 29.405 ( -2.257 0.950 2.348) 3.393 29.759 ( 2.001 0.177 -8.015) 8.263 29.893 ( -5.760 0.274 2.482) 6.278 30.415 ( 15.394 6.955 -4.761) 17.551 46.485 ( -1.393 -0.980 2.702) 3.194 46.685 ( 2.432 -1.654 -1.797) 3.447 88.814 ( 15.553 1.166 -2.635) 15.817 88.974 ( 14.169 0.631 2.267) 14.363 89.475 ( -2.003 -2.740 5.643) 6.585 89.844 ( 0.412 -5.880 -6.632) 8.872 ======================= Grid point 209 (89/196) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 8.965 -8.639 9.413) 15.608 1.832 ( 3.440 -3.294 18.840) 19.432 2.089 ( 10.384 -15.220 5.879) 19.340 2.477 ( 18.648 -9.929 4.315) 21.563 2.681 ( 6.975 -1.597 2.096) 7.456 2.869 ( 0.154 -4.131 -6.783) 7.943 3.565 ( 3.722 1.739 3.466) 5.375 3.707 ( -2.274 -2.152 -2.902) 4.269 3.773 ( 11.709 -5.034 -0.618) 12.760 4.067 ( 9.247 -2.905 -10.948) 14.622 4.554 ( -4.873 -0.921 -0.212) 4.964 4.662 ( 5.637 0.517 -0.740) 5.709 5.155 ( -1.960 -0.841 9.142) 9.387 5.766 ( 3.050 -1.979 -11.056) 11.639 6.194 ( -10.975 4.673 4.667) 12.809 6.773 ( -1.454 6.615 -5.684) 8.842 6.913 ( -9.189 -4.255 7.626) 12.677 7.168 ( -2.919 -6.484 3.458) 7.907 7.919 ( -2.702 0.902 -1.196) 3.089 8.096 ( 6.365 -3.033 5.404) 8.884 8.259 ( 4.677 -4.608 -6.993) 9.592 8.488 ( -2.349 6.109 -2.611) 7.046 8.727 ( -8.827 5.677 -0.614) 10.513 9.205 ( 4.216 3.247 3.319) 6.271 9.293 ( -1.452 2.356 -4.071) 4.923 9.422 ( 2.429 -2.577 -0.835) 3.639 11.214 ( -1.458 -1.530 -3.293) 3.912 11.923 ( -9.230 4.870 5.846) 11.962 12.072 ( 10.401 -0.177 -2.987) 10.823 12.247 ( -4.816 -5.319 5.646) 9.130 12.905 ( 12.424 5.490 -7.397) 15.467 13.122 ( 0.698 0.106 1.114) 1.319 13.704 ( 7.256 -1.968 4.115) 8.571 13.876 ( 9.791 -4.418 -2.680) 11.071 22.641 ( -8.090 3.878 1.717) 9.134 22.780 ( -8.274 0.446 1.761) 8.471 23.424 ( -0.294 -2.767 0.167) 2.787 23.659 ( 3.412 -3.247 1.460) 4.931 23.744 ( 8.153 -0.394 3.530) 8.893 24.212 ( 8.723 4.008 -9.443) 13.466 24.968 ( 5.785 1.820 3.989) 7.259 25.281 ( 8.468 -8.513 -9.473) 15.294 25.840 ( -13.084 3.369 2.146) 13.681 26.509 ( 5.201 -0.016 8.181) 9.694 29.355 ( -3.943 1.066 0.205) 4.090 29.711 ( 0.087 -0.165 -8.562) 8.564 29.847 ( -3.168 -0.761 2.305) 3.991 30.443 ( 7.645 9.315 -3.269) 12.486 46.506 ( -0.808 -1.825 2.766) 3.411 46.733 ( 2.871 -1.875 -1.838) 3.891 89.020 ( 20.010 5.290 -6.193) 21.604 89.206 ( 15.162 3.284 3.793) 15.971 89.548 ( 0.071 -4.723 5.321) 7.115 89.914 ( 4.125 -9.557 -6.846) 12.459 ======================= Grid point 210 (90/196) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 7.123 -7.672 1.942) 10.647 2.036 ( -0.861 -8.636 13.775) 16.282 2.321 ( 5.443 -0.718 2.684) 6.111 2.781 ( -2.102 -1.407 -15.808) 16.009 2.829 ( 7.646 -1.973 0.811) 7.937 2.978 ( 18.181 -11.237 4.878) 21.923 3.572 ( 0.044 3.813 2.176) 4.390 3.696 ( 1.253 -0.504 -2.131) 2.523 4.032 ( 9.297 -8.185 1.547) 12.483 4.132 ( 1.991 -2.368 -2.536) 4.001 4.457 ( -1.651 -0.113 -6.326) 6.539 4.851 ( 12.801 -5.375 0.734) 13.903 5.202 ( -1.514 3.018 12.581) 13.026 5.809 ( 5.410 -3.513 -3.982) 7.581 6.030 ( -7.703 -0.526 -3.234) 8.371 6.613 ( 0.594 10.599 -6.623) 12.513 6.901 ( -10.139 -6.620 9.021) 15.099 7.265 ( 0.953 -5.821 4.545) 7.447 7.878 ( -0.751 -2.306 -2.558) 3.525 8.239 ( -0.286 3.072 1.979) 3.666 8.264 ( 0.249 0.623 -1.008) 1.211 8.456 ( 4.399 -4.471 0.132) 6.274 8.533 ( -6.350 4.545 -0.660) 7.837 9.078 ( -4.558 7.553 -3.490) 9.487 9.332 ( 3.096 0.569 2.890) 4.273 9.453 ( -0.701 -1.976 -2.813) 3.509 11.175 ( -1.473 -0.455 -4.487) 4.744 11.774 ( -8.254 4.620 3.950) 10.251 12.172 ( 4.467 -0.065 1.402) 4.682 12.339 ( 3.246 -5.382 1.984) 6.591 12.956 ( 10.700 5.538 -5.556) 13.267 13.125 ( -0.585 0.025 0.034) 0.587 13.858 ( 5.393 -3.347 4.054) 7.531 14.032 ( 7.703 -1.189 -0.491) 7.809 22.514 ( -5.287 2.747 1.245) 6.087 22.669 ( -7.420 0.055 0.906) 7.476 23.452 ( 0.616 -1.585 -0.000) 1.701 23.707 ( 1.612 -1.377 -2.613) 3.365 23.943 ( 8.780 -0.591 7.330) 11.453 24.193 ( 2.859 1.464 -6.449) 7.204 25.047 ( 3.928 2.272 4.965) 6.726 25.425 ( 7.031 -6.311 -9.428) 13.347 25.678 ( -5.847 1.125 0.132) 5.956 26.618 ( 2.970 1.555 8.322) 8.972 29.282 ( -3.849 0.260 -1.546) 4.156 29.650 ( -0.404 -0.799 -9.263) 9.306 29.851 ( -1.323 -1.836 2.952) 3.719 30.391 ( 3.697 8.885 -1.789) 9.788 46.542 ( -0.661 -2.158 2.909) 3.682 46.782 ( 2.917 -1.141 -1.845) 3.635 89.157 ( 14.559 6.422 -5.218) 16.746 89.346 ( 5.824 3.018 4.287) 7.836 89.635 ( 1.733 -2.984 0.288) 3.463 90.122 ( 10.754 -9.945 -0.831) 14.671 ======================= Grid point 211 (91/196) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 5.339 -6.471 -2.119) 8.653 2.186 ( -2.523 -4.099 6.889) 8.403 2.303 ( -4.822 3.411 -3.424) 6.828 2.659 ( -1.350 -2.425 -8.285) 8.737 2.937 ( 3.697 -0.606 0.326) 3.760 3.269 ( 9.827 -1.739 -4.962) 11.145 3.564 ( 1.177 0.750 3.126) 3.423 3.697 ( 3.630 3.202 -3.724) 6.107 4.133 ( 1.109 2.795 2.730) 4.062 4.189 ( -5.264 -5.366 2.261) 7.849 4.509 ( 7.335 -6.810 -4.168) 10.842 5.060 ( -1.606 -2.521 8.323) 8.844 5.251 ( 10.104 1.772 3.046) 10.701 5.879 ( -5.971 -0.865 7.703) 9.785 6.003 ( 7.751 -8.392 -13.560) 17.731 6.451 ( 3.890 12.225 -6.712) 14.479 6.919 ( -7.891 -6.736 10.107) 14.484 7.364 ( -0.574 -2.032 5.523) 5.913 7.909 ( 0.281 -4.072 -1.082) 4.223 8.060 ( -7.011 4.844 0.453) 8.534 8.332 ( 1.835 -0.008 -1.741) 2.530 8.432 ( 0.173 1.139 2.598) 2.842 8.631 ( 5.962 -5.925 0.542) 8.423 8.900 ( -2.050 8.024 -4.618) 9.482 9.347 ( -4.185 1.270 2.050) 4.830 9.439 ( 0.786 -2.087 -2.417) 3.289 11.129 ( 0.221 0.346 -5.264) 5.280 11.630 ( -6.922 4.820 3.655) 9.193 12.235 ( 2.456 -0.358 1.409) 2.854 12.463 ( 3.254 -4.139 1.560) 5.492 13.004 ( 9.066 4.521 -3.714) 10.790 13.104 ( -2.330 -0.562 -0.856) 2.545 13.998 ( 3.249 -4.856 3.364) 6.742 14.113 ( 3.479 1.534 1.214) 3.992 22.439 ( -2.218 2.021 1.063) 3.183 22.587 ( -4.713 -0.448 0.626) 4.775 23.481 ( 0.611 -1.360 0.325) 1.526 23.712 ( 0.426 -0.506 -3.279) 3.345 24.018 ( 2.647 5.246 -2.347) 6.327 24.241 ( 1.974 -5.270 4.026) 6.919 25.084 ( 0.617 3.686 5.701) 6.817 25.495 ( 1.566 -4.357 -4.440) 6.415 25.655 ( 3.646 -1.532 -5.224) 6.552 26.681 ( 1.151 2.097 7.821) 8.178 29.225 ( -2.738 -0.871 -1.689) 3.333 29.591 ( -0.203 -1.794 -10.038) 10.199 29.884 ( -0.840 -2.156 3.101) 3.869 30.319 ( 1.908 7.655 -0.678) 7.918 46.577 ( -1.008 -1.884 3.074) 3.743 46.815 ( 2.518 0.190 -1.916) 3.170 89.222 ( 8.965 5.677 -2.958) 11.016 89.383 ( -1.651 -1.122 2.095) 2.894 89.679 ( 2.658 -0.136 -1.614) 3.112 90.402 ( 9.898 -8.177 3.027) 13.191 ======================= Grid point 212 (92/196) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -11.297 10.050 -8.902) 17.547 1.999 ( 2.325 -1.575 -4.032) 4.913 2.302 ( -4.374 -6.406 4.867) 9.157 2.673 ( -0.485 -3.260 1.631) 3.677 2.954 ( -0.022 1.490 -0.418) 1.547 3.289 ( 4.752 3.868 -10.158) 11.863 3.616 ( 2.303 1.585 3.052) 4.139 3.680 ( 2.746 0.774 -3.549) 4.554 4.102 ( -4.493 3.772 1.705) 6.110 4.133 ( -5.222 -0.230 2.003) 5.598 4.565 ( -5.996 4.573 1.105) 7.621 5.067 ( -3.491 -2.325 7.650) 8.725 5.461 ( 12.129 -2.498 -0.114) 12.384 5.819 ( -10.658 -2.904 5.133) 12.181 6.157 ( 10.085 -6.358 -9.974) 15.544 6.354 ( 8.510 9.602 -6.649) 14.451 6.978 ( -4.407 -5.016 9.786) 11.847 7.345 ( -8.147 1.643 7.587) 11.253 7.966 ( 3.600 -0.229 -1.461) 3.892 7.992 ( 2.117 -2.282 0.063) 3.114 8.376 ( 2.318 -2.788 -0.234) 3.633 8.422 ( -1.367 1.901 0.412) 2.377 8.768 ( -0.736 4.405 0.224) 4.472 8.775 ( 4.734 -1.002 -1.810) 5.167 9.235 ( -7.235 0.419 -2.081) 7.540 9.490 ( 2.638 -1.937 0.019) 3.273 11.107 ( 3.303 0.614 -5.846) 6.743 11.523 ( -3.569 4.537 4.563) 7.358 12.266 ( -0.231 -0.641 0.665) 0.952 12.546 ( 0.723 -2.414 1.710) 3.046 13.037 ( 1.030 1.252 -2.487) 2.969 13.075 ( 1.992 0.619 -1.644) 2.655 14.105 ( 3.643 3.229 1.272) 5.031 14.132 ( -3.430 -7.017 2.929) 8.341 22.415 ( 0.873 1.621 1.133) 2.162 22.555 ( -1.416 -0.777 0.504) 1.692 23.505 ( -0.187 -1.476 0.440) 1.552 23.685 ( -1.395 0.162 -2.507) 2.873 23.936 ( -1.027 4.666 -3.878) 6.153 24.365 ( 0.204 -6.116 4.671) 7.698 25.065 ( -2.124 3.533 5.522) 6.891 25.537 ( 0.688 -2.833 -1.627) 3.339 25.699 ( 5.687 -1.475 -8.039) 9.957 26.723 ( 0.156 1.235 7.573) 7.674 29.202 ( -1.510 -1.810 -0.726) 2.466 29.544 ( 0.122 -2.831 -11.036) 11.394 29.916 ( -1.034 -1.756 2.687) 3.373 30.253 ( 0.817 6.086 0.373) 6.152 46.599 ( -1.712 -1.172 3.231) 3.840 46.821 ( 1.838 1.709 -2.065) 3.250 89.231 ( 1.333 3.072 -0.976) 3.488 89.381 ( -1.439 -2.332 -0.702) 2.828 89.693 ( 0.352 0.186 -0.420) 0.579 90.633 ( 5.046 -8.454 2.230) 10.095 ======================= Grid point 213 (93/196) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -12.872 9.558 -1.180) 16.077 1.929 ( -4.210 7.141 -2.615) 8.692 2.351 ( -3.977 -7.039 2.719) 8.530 2.714 ( -2.461 -2.851 4.067) 5.543 2.910 ( -2.760 2.697 1.318) 4.077 3.220 ( 4.937 4.934 -11.096) 13.109 3.574 ( -1.059 6.960 -0.987) 7.109 3.708 ( -4.586 -2.648 1.485) 5.500 3.964 ( -6.924 3.697 2.904) 8.369 4.077 ( -3.837 2.547 1.792) 4.942 4.287 ( -13.363 12.391 -0.114) 18.224 5.078 ( -2.901 2.166 1.915) 4.096 5.620 ( 5.130 -1.395 2.777) 5.998 5.732 ( -10.311 -3.127 4.153) 11.548 6.247 ( 10.027 9.125 -2.846) 13.853 6.413 ( 9.370 -9.950 -12.012) 18.196 7.033 ( -1.433 -0.092 7.452) 7.589 7.266 ( -7.235 -0.206 7.553) 10.461 7.985 ( 2.175 0.583 -2.476) 3.347 8.149 ( 9.504 -4.002 0.439) 10.321 8.310 ( -3.909 3.698 -0.595) 5.414 8.496 ( 3.211 -4.510 1.422) 5.717 8.701 ( 0.271 3.343 0.724) 3.431 8.770 ( -3.970 3.200 -4.315) 6.680 9.182 ( -0.194 -3.254 0.539) 3.304 9.540 ( 1.697 -0.880 -0.941) 2.131 11.129 ( 6.238 0.342 -5.440) 8.284 11.490 ( 1.127 3.949 5.763) 7.077 12.253 ( -3.253 -0.859 0.378) 3.386 12.564 ( -2.411 -0.768 1.400) 2.891 12.982 ( -4.727 -1.706 -2.533) 5.628 13.113 ( 5.348 1.587 -1.797) 5.861 14.058 ( -2.430 4.826 2.334) 5.886 14.215 ( -4.205 -10.812 -0.085) 11.602 22.440 ( 3.851 1.291 1.525) 4.339 22.569 ( 1.484 -0.832 0.380) 1.743 23.512 ( -1.849 -1.543 -0.200) 2.417 23.643 ( -2.312 0.087 -0.227) 2.325 23.835 ( -2.778 3.311 -2.376) 4.932 24.453 ( -2.096 -6.266 1.784) 6.844 25.025 ( -3.874 2.258 5.288) 6.933 25.541 ( -0.415 0.251 -3.305) 3.341 25.740 ( 5.693 -1.348 -7.482) 9.498 26.775 ( -0.344 -1.340 7.762) 7.885 29.215 ( -0.268 -2.400 0.603) 2.489 29.499 ( -0.176 -3.135 -12.299) 12.693 29.938 ( -1.150 -1.363 2.585) 3.140 30.197 ( -0.493 4.566 1.035) 4.707 46.601 ( -2.547 -0.314 3.360) 4.228 46.798 ( 1.209 2.972 -2.278) 3.935 89.169 ( -6.451 -0.683 -1.223) 6.601 89.395 ( 2.557 1.166 -0.074) 2.812 89.683 ( -4.078 -3.385 -0.090) 5.300 90.785 ( -1.038 -11.301 -2.246) 11.569 ======================= Grid point 214 (94/196) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -12.311 7.478 12.607) 19.142 1.684 ( -10.622 13.737 2.342) 17.522 2.377 ( -8.542 -7.313 1.517) 11.346 2.721 ( -4.049 -1.926 3.086) 5.444 2.815 ( -7.426 6.293 6.966) 11.970 3.156 ( 3.857 7.435 -10.155) 13.164 3.365 ( -14.743 7.029 3.886) 16.789 3.577 ( -9.727 4.392 2.856) 11.048 3.879 ( -2.473 5.052 -3.292) 6.517 3.980 ( -5.070 4.773 -1.389) 7.101 4.030 ( -1.691 4.899 2.715) 5.851 4.961 ( -4.675 6.012 -0.413) 7.627 5.624 ( -3.727 4.341 -0.967) 5.803 5.735 ( 0.881 -4.208 4.325) 6.099 6.254 ( 6.627 6.157 0.404) 9.055 6.626 ( 10.136 -12.638 -9.816) 18.943 7.041 ( -0.747 3.113 4.467) 5.496 7.243 ( -3.812 0.080 5.972) 7.085 7.919 ( -4.223 4.160 -4.642) 7.530 8.218 ( -6.274 1.864 3.596) 7.468 8.336 ( 8.342 -4.215 -0.895) 9.389 8.587 ( -4.047 -0.368 -4.506) 6.068 8.619 ( 3.176 -0.631 -4.644) 5.661 8.729 ( 5.097 -0.045 4.557) 6.837 9.265 ( 3.094 -2.698 2.714) 4.921 9.534 ( -0.965 0.969 -2.543) 2.887 11.204 ( 8.284 -0.740 -3.854) 9.167 11.534 ( 5.002 3.892 6.455) 9.046 12.202 ( -5.535 -0.934 0.521) 5.638 12.519 ( -5.035 0.314 1.042) 5.151 12.923 ( -3.347 -2.040 -3.381) 5.176 13.158 ( 4.227 0.455 -1.636) 4.555 13.962 ( -6.168 3.121 2.201) 7.255 14.253 ( -8.716 -12.402 -4.617) 15.846 22.521 ( 6.890 0.282 2.463) 7.323 22.619 ( 3.528 -0.537 0.699) 3.636 23.484 ( -4.206 -1.804 -0.449) 4.599 23.619 ( -1.995 -0.420 0.722) 2.163 23.749 ( -3.169 2.086 0.741) 3.866 24.467 ( -6.365 -5.545 -3.087) 8.988 24.966 ( -5.319 2.262 4.357) 7.238 25.466 ( -1.669 3.455 -6.424) 7.482 25.802 ( 6.442 -1.887 -4.975) 8.356 26.868 ( -0.825 -6.645 7.126) 9.778 29.259 ( 0.945 -2.444 1.870) 3.219 29.431 ( -1.266 -1.870 -12.299) 12.505 29.957 ( -1.159 -1.443 2.737) 3.304 30.138 ( -1.953 3.511 1.404) 4.256 46.582 ( -3.281 0.428 3.394) 4.740 46.754 ( 0.949 3.611 -2.523) 4.506 89.054 ( -9.345 -1.328 -1.623) 9.578 89.415 ( 3.192 3.865 2.162) 5.459 89.664 ( -8.221 -9.534 -1.883) 12.729 90.825 ( -9.613 -14.284 -11.954) 20.960 ======================= Grid point 215 (95/196) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -12.609 8.409 21.288) 26.132 1.364 ( -13.091 13.693 11.109) 21.961 2.209 ( -30.002 -1.116 10.880) 31.934 2.581 ( -16.862 12.118 11.211) 23.598 2.724 ( -1.616 -0.994 -0.653) 2.006 2.936 ( -4.887 3.977 -5.864) 8.608 3.251 ( 1.183 6.724 -0.905) 6.887 3.419 ( -4.579 5.578 5.858) 9.295 3.752 ( -0.622 3.601 -3.439) 5.018 3.855 ( -0.363 2.270 -6.560) 6.951 4.066 ( 5.025 3.294 7.891) 9.918 4.840 ( -2.130 4.254 -1.314) 4.936 5.458 ( -2.267 11.138 -5.297) 12.540 5.856 ( 3.883 -6.506 1.207) 7.672 6.306 ( 3.694 0.429 3.491) 5.100 6.853 ( 8.239 -10.023 -4.826) 13.843 6.998 ( -2.484 3.620 1.923) 4.793 7.225 ( -0.788 2.727 4.059) 4.953 7.726 ( -8.973 6.498 -1.680) 11.205 8.130 ( -6.489 -2.498 0.728) 6.991 8.364 ( -0.969 3.707 -6.710) 7.727 8.574 ( 1.161 -4.285 -2.245) 4.975 8.687 ( 5.740 -3.170 -1.068) 6.643 8.896 ( 9.231 -1.047 5.511) 10.802 9.335 ( -2.525 -2.436 1.943) 4.011 9.470 ( 1.333 3.157 -3.613) 4.979 11.331 ( 9.322 -2.506 -2.307) 9.925 11.606 ( 4.435 4.223 5.458) 8.203 12.143 ( -3.741 -1.001 1.460) 4.138 12.435 ( -6.749 0.498 1.249) 6.882 12.896 ( 0.354 -1.732 -3.976) 4.352 13.202 ( 3.329 -0.553 -1.656) 3.759 13.837 ( -10.535 -0.500 1.112) 10.605 14.158 ( -17.206 -9.939 -12.151) 23.291 22.665 ( 6.720 -1.843 1.193) 7.069 22.712 ( 9.072 -1.068 4.565) 10.211 23.443 ( -4.964 -2.729 0.618) 5.699 23.587 ( -2.418 0.288 -0.615) 2.512 23.714 ( -2.262 0.721 4.465) 5.057 24.311 ( -15.826 -1.093 -10.876) 19.233 24.884 ( -4.436 3.235 3.315) 6.413 25.334 ( -2.109 4.841 -6.897) 8.687 25.903 ( 7.474 -2.007 -2.030) 8.000 26.992 ( -5.299 -13.389 0.105) 14.400 29.324 ( 1.759 -1.658 2.764) 3.672 29.357 ( 1.584 0.350 -5.622) 5.852 29.974 ( -1.103 -1.181 1.833) 2.443 30.079 ( -3.032 2.374 2.768) 4.742 46.547 ( -3.612 0.859 3.246) 4.932 46.705 ( 1.029 3.466 -2.668) 4.493 88.921 ( -8.391 -0.573 -1.492) 8.542 89.421 ( 1.169 3.661 3.345) 5.095 89.646 ( -13.371 -16.037 -4.978) 21.465 90.604 ( -23.813 -7.772 -26.634) 36.563 ======================= Grid point 216 (96/196) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -12.634 17.011 16.248) 26.702 1.191 ( -19.244 6.754 21.403) 29.564 1.865 ( -30.500 -3.689 28.193) 41.698 2.239 ( -17.210 13.776 11.697) 24.956 2.668 ( -2.123 -2.697 -12.184) 12.658 2.871 ( -1.575 2.848 -0.271) 3.266 3.184 ( 6.853 5.090 0.229) 8.540 3.421 ( 1.398 1.392 5.382) 5.732 3.746 ( 2.682 -0.276 -0.482) 2.739 3.834 ( 8.340 0.801 -10.430) 13.379 4.229 ( 12.357 0.196 10.993) 16.540 4.760 ( -1.237 3.614 -2.046) 4.334 5.246 ( -3.777 9.038 -3.382) 10.363 6.003 ( 7.743 -5.677 -9.729) 13.669 6.382 ( -1.192 -2.578 8.312) 8.784 6.907 ( -1.332 4.695 3.566) 6.044 7.029 ( -0.300 -7.867 -0.979) 7.933 7.252 ( 8.251 2.470 -1.971) 8.836 7.532 ( -6.712 4.501 5.035) 9.522 8.130 ( -0.511 -3.730 0.745) 3.838 8.247 ( 0.122 4.668 -4.004) 6.151 8.550 ( -3.848 -0.706 -6.113) 7.258 8.831 ( 4.949 -3.802 1.214) 6.358 9.047 ( 5.205 0.962 3.424) 6.304 9.256 ( -7.230 -0.753 0.088) 7.270 9.495 ( 5.527 0.713 -2.514) 6.114 11.473 ( 0.551 -4.235 1.604) 4.562 11.599 ( 3.833 4.729 -2.893) 6.740 12.200 ( 8.045 -1.686 3.074) 8.776 12.338 ( -7.591 -0.034 1.984) 7.846 12.921 ( 4.186 -1.336 -3.465) 5.596 13.229 ( -1.798 -1.647 -3.331) 4.128 13.625 ( -31.281 -7.295 -3.979) 32.366 13.829 ( -11.177 5.892 -7.956) 14.931 22.757 ( 3.980 -0.731 2.188) 4.600 22.998 ( 15.736 -7.292 1.797) 17.436 23.426 ( -4.651 -5.467 1.443) 7.321 23.569 ( 3.504 1.798 1.918) 4.380 23.707 ( -2.949 0.324 4.475) 5.369 23.866 ( -23.951 9.689 -11.673) 28.351 24.823 ( -2.664 1.988 3.113) 4.554 25.206 ( -1.699 3.679 -5.404) 6.755 26.033 ( 8.026 -1.330 1.197) 8.223 26.911 ( -22.332 -8.872 -10.864) 26.371 29.371 ( 0.972 -1.299 3.030) 3.437 29.510 ( 18.737 -1.477 2.468) 18.956 29.992 ( -0.161 -1.767 2.681) 3.215 30.037 ( -1.769 1.599 3.411) 4.161 46.509 ( -3.193 0.732 3.023) 4.457 46.665 ( 1.118 2.358 -2.331) 3.499 88.825 ( -3.403 -0.113 -1.218) 3.616 89.367 ( -20.976 -6.827 -6.216) 22.919 89.512 ( -24.034 -11.108 -4.877) 26.922 90.011 ( -13.030 14.902 -15.676) 25.251 ======================= Grid point 218 (97/196) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 11.903 0.000 19.906) 23.193 1.779 ( -9.993 -0.000 17.340) 20.013 1.845 ( 36.207 0.000 4.907) 36.538 2.371 ( 16.763 0.000 5.335) 17.592 2.729 ( 10.599 0.000 0.454) 10.608 2.739 ( -0.192 -0.000 -2.738) 2.745 3.544 ( 0.777 0.000 0.333) 0.846 3.674 ( -2.212 -0.000 -3.031) 3.752 3.760 ( 12.827 0.000 3.869) 13.397 4.021 ( 9.886 0.000 -14.563) 17.602 4.538 ( -1.507 -0.000 -0.188) 1.518 4.669 ( 3.542 0.000 -7.634) 8.416 5.144 ( -0.345 -0.000 11.767) 11.772 5.725 ( 2.817 0.000 -17.588) 17.812 6.328 ( -13.495 -0.000 13.332) 18.970 6.724 ( -11.821 -0.000 4.793) 12.756 6.983 ( -7.895 -0.000 3.219) 8.526 7.041 ( 2.473 0.000 -1.208) 2.753 7.942 ( -5.467 -0.000 -5.407) 7.689 8.047 ( 9.387 0.000 9.498) 13.354 8.197 ( 5.411 0.000 -7.584) 9.317 8.581 ( -3.075 -0.000 -4.485) 5.438 8.806 ( -9.610 -0.000 -0.511) 9.624 9.240 ( 10.572 0.000 2.167) 10.792 9.353 ( -4.556 -0.000 -3.649) 5.837 9.363 ( 1.578 0.000 0.207) 1.591 11.193 ( -0.467 -0.000 -2.826) 2.864 12.018 ( -9.440 -0.000 4.592) 10.497 12.073 ( 12.445 0.000 -6.204) 13.906 12.141 ( -7.983 -0.000 10.378) 13.093 12.989 ( 14.244 0.000 -10.741) 17.840 13.123 ( 0.609 0.000 1.329) 1.462 13.683 ( 7.931 0.000 2.861) 8.431 13.793 ( 9.766 0.000 0.778) 9.797 22.714 ( -11.016 -0.000 2.080) 11.211 22.768 ( -8.329 -0.000 2.066) 8.582 23.386 ( 1.617 0.000 1.435) 2.162 23.613 ( 4.810 0.000 2.510) 5.426 23.740 ( 7.183 0.000 1.031) 7.256 24.266 ( 8.266 0.000 -12.056) 14.618 25.048 ( 14.596 0.000 0.110) 14.596 25.116 ( 3.749 0.000 -5.183) 6.397 25.894 ( -14.371 -0.000 1.588) 14.459 26.498 ( 4.589 0.000 11.048) 11.964 29.370 ( -4.326 -0.000 -0.282) 4.335 29.709 ( -0.362 -0.000 -8.183) 8.191 29.838 ( -3.875 -0.000 2.109) 4.412 30.578 ( 7.560 0.000 -7.363) 10.554 46.483 ( -0.588 -0.000 2.571) 2.637 46.708 ( 3.510 0.000 -1.298) 3.742 89.098 ( 23.543 0.000 -11.240) 26.089 89.274 ( 20.535 0.000 6.976) 21.687 89.486 ( 1.772 0.000 4.811) 5.127 89.756 ( -1.406 -0.000 -4.928) 5.124 ======================= Grid point 219 (98/196) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 10.688 3.457 10.510) 15.383 1.837 ( -1.213 -7.092 15.624) 17.201 2.367 ( 26.766 2.077 0.595) 26.853 2.663 ( 15.859 -6.245 -3.002) 17.307 2.721 ( -0.018 -2.222 -0.583) 2.297 2.899 ( 12.618 0.991 -0.942) 12.691 3.581 ( -0.105 -2.893 1.290) 3.169 3.628 ( -2.108 -2.850 -0.871) 3.651 3.948 ( 11.425 2.359 0.776) 11.692 4.071 ( 4.040 -3.121 -4.175) 6.595 4.514 ( 1.324 3.361 -4.425) 5.713 4.704 ( 9.239 -5.271 -11.189) 15.438 5.252 ( 1.660 1.080 14.719) 14.852 5.695 ( 6.312 -3.590 -14.244) 15.988 6.160 ( -12.790 7.728 10.255) 18.124 6.634 ( -14.068 -8.529 7.308) 18.002 6.891 ( -0.343 6.797 0.757) 6.847 7.132 ( 4.753 -4.817 0.811) 6.816 7.846 ( -1.429 -0.542 -6.083) 6.272 8.230 ( 7.731 0.373 4.250) 8.830 8.278 ( 6.863 -2.477 -1.068) 7.374 8.446 ( -8.443 2.396 -0.825) 8.816 8.637 ( -9.766 2.635 -0.759) 10.143 9.235 ( -3.054 4.352 -5.368) 7.555 9.348 ( 3.163 0.925 2.835) 4.347 9.397 ( 0.322 -2.526 -1.139) 2.789 11.166 ( -0.488 -0.218 -3.385) 3.427 11.880 ( -8.236 3.391 2.449) 9.237 12.167 ( 1.257 -0.851 6.198) 6.381 12.215 ( 6.712 -3.188 -1.162) 7.521 13.071 ( 9.811 3.206 -8.316) 13.255 13.123 ( -0.828 -0.217 -0.459) 0.972 13.801 ( 4.971 -1.048 2.129) 5.509 13.975 ( 9.059 -2.389 3.724) 10.082 22.580 ( -7.049 2.174 1.938) 7.627 22.658 ( -8.287 -0.817 0.542) 8.345 23.423 ( 1.169 -0.708 1.233) 1.841 23.671 ( 1.837 -1.038 -0.564) 2.184 23.914 ( 10.178 -0.887 6.965) 12.365 24.243 ( 2.095 1.432 -10.460) 10.764 25.123 ( 6.643 3.156 -1.369) 7.481 25.286 ( 11.807 -4.382 -4.859) 13.499 25.720 ( -9.022 1.551 0.582) 9.173 26.626 ( 1.107 -0.326 11.748) 11.804 29.289 ( -4.565 0.214 -2.570) 5.243 29.639 ( -1.094 -0.170 -8.390) 8.463 29.819 ( -1.791 -0.709 2.815) 3.411 30.568 ( 2.625 4.378 -5.709) 7.658 46.504 ( 0.086 -0.834 2.550) 2.684 46.760 ( 4.163 -0.523 -1.198) 4.364 89.258 ( 10.065 1.543 -7.097) 12.412 89.514 ( 9.544 9.796 2.123) 13.840 89.583 ( 6.697 -1.108 0.577) 6.812 89.857 ( 11.467 -10.983 2.287) 16.042 ======================= Grid point 220 (99/196) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 5.234 -1.600 3.614) 6.559 2.067 ( 7.720 -1.974 11.152) 13.707 2.526 ( 7.731 11.626 -1.135) 14.008 2.625 ( -0.590 -0.819 -12.320) 12.362 2.917 ( 8.075 -1.741 -2.182) 8.544 3.172 ( 17.078 -4.920 0.817) 17.792 3.564 ( -3.272 -0.411 2.695) 4.259 3.722 ( 5.200 -4.352 -0.560) 6.804 4.038 ( 0.798 -3.541 -0.994) 3.763 4.161 ( 5.437 -0.585 1.609) 5.700 4.457 ( 5.528 3.861 -7.793) 10.305 4.892 ( 8.549 -9.670 -3.559) 13.389 5.326 ( -1.494 3.201 11.044) 11.595 5.789 ( 9.083 -6.977 -10.509) 15.544 5.974 ( -8.005 6.847 7.197) 12.758 6.613 ( -9.063 -8.160 4.845) 13.123 6.817 ( 1.157 7.615 2.126) 7.991 7.284 ( 5.699 -4.349 2.226) 7.507 7.834 ( 2.202 -1.938 -3.785) 4.788 8.191 ( -10.725 5.133 0.439) 11.898 8.335 ( 3.720 -0.105 -0.606) 3.771 8.454 ( -0.833 -0.736 3.038) 3.235 8.528 ( 3.731 -1.249 1.078) 4.080 9.090 ( -1.286 6.646 -6.440) 9.344 9.382 ( -3.629 -0.287 -1.918) 4.115 9.390 ( 1.091 -0.324 2.728) 2.956 11.138 ( 0.498 0.360 -3.652) 3.704 11.743 ( -6.317 4.129 2.012) 7.811 12.236 ( 2.321 0.235 2.855) 3.687 12.344 ( 3.957 -4.930 1.395) 6.473 13.087 ( -0.710 0.181 -1.647) 1.803 13.107 ( 4.584 2.610 -5.069) 7.316 13.885 ( 0.832 -3.450 1.732) 3.949 14.130 ( 5.073 -0.522 4.610) 6.875 22.489 ( -3.376 2.006 1.294) 4.135 22.570 ( -5.415 -0.916 0.317) 5.501 23.452 ( 0.279 -0.951 1.174) 1.536 23.692 ( 0.770 -0.899 -2.012) 2.334 24.099 ( 5.277 0.443 5.732) 7.804 24.168 ( -0.277 0.121 -5.916) 5.924 25.185 ( 5.899 3.108 2.065) 6.980 25.415 ( 5.259 -1.529 -4.659) 7.190 25.630 ( -0.400 -0.378 -2.247) 2.314 26.701 ( -1.913 -0.179 9.986) 10.170 29.211 ( -3.281 -0.315 -2.820) 4.338 29.565 ( -1.079 -0.460 -8.483) 8.563 29.837 ( -0.899 -1.490 3.460) 3.873 30.492 ( 0.758 5.679 -4.039) 7.010 46.539 ( 0.316 -1.156 2.602) 2.865 46.817 ( 4.212 0.006 -1.318) 4.413 89.305 ( 3.851 0.353 -2.566) 4.641 89.438 ( -3.031 5.328 -1.463) 6.302 89.694 ( 7.767 1.654 -2.408) 8.298 90.212 ( 13.027 -7.184 7.710) 16.756 ======================= Grid point 221 (100/196) ======================= q-point: ( 0.40 0.10 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 4.303 -2.566 -1.258) 5.166 2.227 ( 4.941 0.633 1.806) 5.299 2.309 ( -0.608 15.102 -7.337) 16.801 2.641 ( 3.084 0.994 1.579) 3.605 2.987 ( 3.761 1.303 -2.531) 4.717 3.347 ( 5.981 0.460 -4.910) 7.752 3.574 ( -0.808 -1.931 4.436) 4.905 3.812 ( 8.739 4.354 -5.592) 11.251 4.062 ( -3.658 -4.190 0.062) 5.562 4.206 ( 0.207 3.269 1.741) 3.709 4.523 ( 6.884 -4.197 -2.542) 8.454 5.022 ( -6.675 -2.578 8.124) 10.825 5.362 ( 5.473 -3.768 -0.563) 6.669 5.856 ( -5.565 5.140 5.333) 9.264 5.938 ( 6.731 -8.613 -8.968) 14.139 6.642 ( 6.966 3.465 -2.645) 8.218 6.787 ( -5.084 -2.215 9.502) 11.002 7.382 ( -0.939 0.160 4.233) 4.339 7.897 ( 5.796 -2.729 -2.016) 6.716 8.014 ( -5.889 2.210 0.334) 6.298 8.329 ( 0.962 -0.635 -2.481) 2.736 8.472 ( -0.641 1.409 2.119) 2.624 8.683 ( 7.791 -3.483 3.241) 9.129 8.956 ( 0.845 7.553 -5.120) 9.164 9.274 ( -7.248 2.140 -1.937) 7.801 9.441 ( 2.350 -1.823 1.142) 3.186 11.128 ( 3.356 0.923 -4.396) 5.607 11.634 ( -3.422 4.413 2.680) 6.194 12.262 ( 0.009 0.257 0.527) 0.586 12.459 ( 1.316 -4.445 2.810) 5.421 13.030 ( -4.545 -0.696 -2.776) 5.371 13.119 ( 3.812 1.794 -2.288) 4.794 13.935 ( -3.780 -6.373 1.211) 7.508 14.197 ( 1.288 2.019 4.229) 4.860 22.453 ( 0.196 1.417 0.758) 1.619 22.532 ( -1.923 -0.990 0.589) 2.242 23.471 ( -0.719 -1.248 1.233) 1.896 23.686 ( -0.553 -0.131 -2.124) 2.199 24.033 ( -2.127 3.049 -7.488) 8.360 24.248 ( -0.123 -3.163 7.707) 8.332 25.205 ( 1.116 6.680 4.924) 8.373 25.464 ( 3.889 -2.562 -3.180) 5.639 25.662 ( 5.092 -1.459 -5.541) 7.665 26.726 ( -3.791 -0.771 7.587) 8.517 29.166 ( -1.855 -1.052 -1.416) 2.560 29.500 ( -0.666 -0.901 -8.412) 8.486 29.870 ( -1.025 -1.782 3.482) 4.044 30.403 ( 0.167 5.592 -2.862) 6.284 46.574 ( 0.020 -0.871 2.705) 2.842 46.857 ( 3.704 1.215 -1.631) 4.225 89.307 ( -7.126 2.138 -0.853) 7.489 89.337 ( 2.275 -0.545 -1.162) 2.612 89.723 ( 2.085 2.252 -2.556) 3.994 90.480 ( 6.757 -4.368 6.602) 10.408 ======================= Grid point 222 (101/196) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -5.863 7.666 -8.583) 12.916 2.140 ( 7.089 7.967 -1.557) 10.777 2.302 ( 4.652 5.909 2.635) 7.969 2.678 ( -0.792 0.048 5.357) 5.416 2.967 ( 0.051 2.469 -2.398) 3.442 3.336 ( 2.501 3.487 -5.234) 6.768 3.624 ( -1.847 -2.914 3.767) 5.108 3.793 ( 8.349 9.444 -8.544) 15.227 4.022 ( -6.173 0.603 1.392) 6.357 4.144 ( -3.342 3.386 2.448) 5.350 4.525 ( -9.919 5.408 1.927) 11.460 5.015 ( -2.369 -5.374 3.837) 7.015 5.528 ( 4.916 -6.291 0.938) 8.039 5.741 ( -6.393 4.504 4.446) 8.995 6.077 ( 5.999 -11.415 -9.679) 16.124 6.633 ( 12.261 14.993 -7.336) 20.711 6.894 ( -3.162 -10.264 12.394) 16.400 7.322 ( -6.105 3.992 5.762) 9.296 7.969 ( 0.145 -1.605 -0.970) 1.881 8.050 ( 9.830 -3.384 -1.553) 10.511 8.375 ( 2.293 -2.004 -1.164) 3.260 8.411 ( -2.870 1.316 -0.347) 3.176 8.808 ( -0.366 2.878 2.831) 4.054 8.867 ( 3.807 5.563 -3.646) 7.664 9.135 ( -4.776 0.245 -0.038) 4.783 9.511 ( 3.274 -1.579 -0.405) 3.658 11.154 ( 7.009 1.346 -5.408) 8.954 11.586 ( 0.636 3.954 4.466) 5.999 12.239 ( -2.877 -0.223 -0.621) 2.952 12.520 ( -2.142 -2.857 2.876) 4.585 12.945 ( -5.247 -1.145 -3.234) 6.269 13.137 ( 1.830 0.144 -0.972) 2.077 13.944 ( -9.170 -8.813 1.098) 12.766 14.186 ( -1.334 3.397 2.643) 4.506 22.469 ( 3.256 0.907 0.421) 3.407 22.545 ( 1.246 -1.009 0.886) 1.832 23.477 ( -1.818 -1.266 0.868) 2.380 23.652 ( -1.820 0.632 -1.022) 2.180 23.908 ( -3.791 2.474 -5.297) 6.968 24.317 ( -3.376 -4.378 5.795) 8.009 25.149 ( -1.160 7.026 4.988) 8.694 25.530 ( 3.940 -0.963 -2.939) 5.008 25.708 ( 5.061 -1.201 -6.551) 8.365 26.727 ( -5.107 -2.400 5.769) 8.070 29.163 ( -0.566 -1.730 0.548) 1.901 29.447 ( -0.279 -1.165 -8.172) 8.260 29.897 ( -1.486 -1.728 3.119) 3.863 30.320 ( -0.295 5.044 -2.000) 5.434 46.596 ( -0.672 -0.142 2.844) 2.926 46.868 ( 2.897 2.639 -2.070) 4.432 89.169 ( -8.442 0.604 -1.145) 8.540 89.368 ( -0.902 -2.850 0.514) 3.033 89.671 ( -2.697 2.350 -1.731) 3.974 90.613 ( 0.611 -3.524 2.528) 4.380 ======================= Grid point 223 (102/196) ======================= q-point: (-0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -6.681 11.404 2.811) 13.513 2.100 ( 7.006 17.870 -1.909) 19.289 2.285 ( -1.684 1.282 1.272) 2.469 2.695 ( -2.691 -0.543 6.194) 6.775 2.921 ( -1.479 2.408 0.984) 2.993 3.290 ( 3.360 4.492 -3.644) 6.689 3.581 ( -11.906 2.212 0.679) 12.129 3.691 ( 2.822 11.958 -4.699) 13.154 3.920 ( -5.613 0.193 1.720) 5.874 4.097 ( -0.380 3.288 5.012) 6.006 4.244 ( -11.155 10.284 -1.624) 15.259 5.035 ( -5.714 -0.469 1.402) 5.902 5.619 ( -3.387 -4.072 3.448) 6.320 5.682 ( 1.242 1.015 2.607) 3.061 6.278 ( 9.046 -14.305 -9.381) 19.351 6.547 ( 9.285 14.737 -7.805) 19.087 7.058 ( 1.595 -4.023 8.376) 9.428 7.246 ( -3.713 2.366 5.022) 6.678 7.972 ( -1.715 0.170 -1.951) 2.603 8.213 ( 6.682 -4.751 -0.659) 8.225 8.314 ( -2.157 4.438 0.008) 4.935 8.486 ( 2.133 -4.999 0.867) 5.504 8.696 ( -5.006 4.434 -5.191) 8.466 8.785 ( 1.082 4.911 -0.466) 5.051 9.193 ( 3.311 -2.844 5.055) 6.679 9.549 ( 1.987 0.048 -2.883) 3.502 11.219 ( 9.803 1.597 -5.464) 11.336 11.620 ( 4.493 3.299 6.239) 8.366 12.179 ( -5.085 -0.817 -1.346) 5.323 12.507 ( -5.800 -1.431 2.659) 6.539 12.871 ( -3.796 -1.862 -3.429) 5.444 13.156 ( 0.868 -0.986 -0.654) 1.468 13.890 ( -15.121 -8.912 1.796) 17.644 14.124 ( -3.218 2.187 -0.364) 3.908 22.528 ( 5.377 0.146 0.134) 5.381 22.601 ( 3.589 -0.814 1.511) 3.978 23.456 ( -3.063 -0.514 0.035) 3.106 23.613 ( -2.357 0.208 0.501) 2.419 23.798 ( -3.808 1.724 -1.769) 4.538 24.335 ( -6.709 -4.826 3.000) 8.792 25.080 ( -1.912 6.488 4.836) 8.315 25.538 ( 2.656 2.403 -6.029) 7.013 25.755 ( 5.184 -1.771 -5.092) 7.479 26.723 ( -6.857 -5.125 4.372) 9.612 29.200 ( 0.741 -2.261 2.367) 3.356 29.400 ( 0.012 -0.629 -7.284) 7.311 29.916 ( -1.834 -1.782 2.972) 3.921 30.240 ( -0.969 4.482 -1.477) 4.818 46.597 ( -1.518 0.750 2.987) 3.433 46.848 ( 2.155 3.806 -2.553) 5.064 89.033 ( -8.915 -0.325 -1.033) 8.981 89.372 ( -8.662 -7.388 0.401) 11.392 89.583 ( -1.944 4.113 -0.015) 4.549 90.625 ( -4.428 -3.342 -3.206) 6.407 ======================= Grid point 224 (103/196) ======================= q-point: (-0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -6.269 10.086 16.191) 20.079 1.868 ( -2.589 24.362 4.349) 24.882 2.220 ( -7.360 2.444 0.416) 7.766 2.710 ( 1.080 1.145 1.732) 2.340 2.854 ( -5.744 6.147 7.969) 11.588 3.182 ( -16.918 13.680 -1.443) 21.805 3.322 ( 3.577 2.199 0.935) 4.302 3.589 ( -1.040 6.518 0.021) 6.600 3.875 ( 1.368 2.034 -4.223) 4.882 3.960 ( -6.922 9.678 -5.501) 13.109 4.138 ( 3.206 2.580 9.337) 10.203 4.914 ( -9.506 1.943 3.970) 10.483 5.639 ( 2.295 0.806 -5.220) 5.759 5.722 ( -0.195 -2.885 3.225) 4.331 6.451 ( 7.884 11.778 -6.674) 15.666 6.529 ( 8.350 -15.001 -7.807) 18.861 7.120 ( 1.645 4.802 2.528) 5.670 7.235 ( -2.215 -1.527 5.471) 6.097 7.885 ( -3.868 4.455 -1.406) 6.065 8.156 ( -10.636 5.419 3.657) 12.484 8.365 ( 4.791 -3.940 -1.764) 6.448 8.498 ( -2.101 -1.121 -4.148) 4.783 8.624 ( 3.652 -1.485 -4.692) 6.128 8.861 ( 8.841 -1.149 4.554) 10.011 9.278 ( -1.680 -2.047 3.583) 4.455 9.531 ( 1.474 1.492 -4.893) 5.324 11.318 ( 10.517 1.242 -3.469) 11.144 11.697 ( 4.154 3.322 5.553) 7.689 12.111 ( -3.708 -1.563 -1.219) 4.205 12.431 ( -9.084 -0.953 2.698) 9.524 12.841 ( -0.575 -2.418 -3.151) 4.013 13.177 ( 0.322 -1.739 -0.798) 1.941 13.744 ( -19.963 -6.462 2.294) 21.107 14.036 ( -5.104 0.125 -3.837) 6.386 22.620 ( 6.136 -1.437 -0.070) 6.303 22.688 ( 4.556 -1.000 2.853) 5.468 23.415 ( -2.328 0.342 0.549) 2.417 23.581 ( -2.938 -0.421 0.794) 3.072 23.739 ( -2.014 1.151 1.870) 2.980 24.262 ( -11.565 -2.788 -1.118) 11.949 25.002 ( -2.658 6.231 4.353) 8.053 25.466 ( 2.207 5.470 -9.323) 11.032 25.840 ( 6.418 -2.829 -2.230) 7.360 26.711 ( -10.327 -8.860 2.107) 13.769 29.270 ( 1.643 -2.529 3.473) 4.600 29.368 ( 2.238 0.573 -3.859) 4.498 29.932 ( -2.252 -2.017 3.032) 4.282 30.161 ( -1.451 3.946 -1.101) 4.346 46.577 ( -2.227 1.529 3.066) 4.086 46.805 ( 1.737 4.359 -3.009) 5.575 88.908 ( -7.634 -0.405 -1.034) 7.714 89.275 ( -20.321 -11.638 -1.449) 23.462 89.540 ( 2.423 5.556 2.885) 6.712 90.513 ( -8.239 -0.691 -9.967) 12.950 ======================= Grid point 225 (104/196) ======================= q-point: (-0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -6.166 9.715 22.644) 25.400 1.545 ( -8.845 22.555 12.568) 27.293 1.975 ( -14.069 13.951 6.930) 20.990 2.613 ( -9.237 12.745 5.752) 16.758 2.727 ( -4.591 9.084 -2.029) 10.379 2.893 ( -1.704 0.610 1.896) 2.621 3.385 ( 5.039 6.915 0.326) 8.562 3.484 ( -1.662 4.645 4.487) 6.668 3.779 ( 0.902 3.978 -4.231) 5.877 3.867 ( 6.920 2.104 -8.365) 11.059 4.248 ( 5.327 1.163 10.584) 11.906 4.811 ( -7.483 0.471 5.905) 9.544 5.529 ( -0.663 8.823 -11.357) 14.397 5.811 ( 1.855 -7.372 -1.346) 7.720 6.396 ( 4.201 5.714 -4.165) 8.225 6.752 ( 3.692 -13.633 -4.893) 14.948 7.057 ( -1.295 6.330 1.672) 6.674 7.280 ( 2.257 -0.438 2.348) 3.286 7.722 ( -5.608 9.857 3.794) 11.958 8.060 ( -1.322 -1.637 3.097) 3.744 8.343 ( -0.751 2.866 -4.660) 5.523 8.510 ( 0.142 -2.633 -5.019) 5.669 8.718 ( 5.969 -4.438 0.037) 7.438 9.048 ( 8.684 -0.961 2.976) 9.230 9.229 ( -7.337 -1.082 -0.425) 7.428 9.512 ( 1.546 0.291 -3.688) 4.009 11.425 ( 4.734 0.451 1.175) 4.899 11.694 ( 0.425 3.125 -1.997) 3.733 12.146 ( 5.530 -2.343 1.776) 6.263 12.317 ( -11.285 -1.707 2.915) 11.780 12.863 ( 0.556 -2.955 -1.163) 3.224 13.172 ( -5.404 -2.380 -1.807) 6.175 13.525 ( -16.679 -1.362 3.081) 17.015 13.916 ( -4.607 1.807 -6.238) 7.962 22.725 ( 4.409 -1.793 0.624) 4.801 22.806 ( 3.258 -5.745 3.287) 7.378 23.399 ( 0.246 1.465 2.078) 2.554 23.574 ( 1.119 -0.412 2.518) 2.786 23.723 ( -1.201 0.983 2.653) 3.073 24.040 ( -14.651 3.167 -5.511) 15.970 24.917 ( -2.782 5.503 3.664) 7.173 25.352 ( 2.891 7.223 -10.081) 12.734 25.974 ( 6.989 -3.285 1.116) 7.802 26.642 ( -16.595 -10.230 -1.934) 19.591 29.331 ( 0.470 -1.764 2.868) 3.400 29.464 ( 11.365 -1.790 2.401) 11.753 29.941 ( -3.057 -2.205 3.147) 4.910 30.093 ( -0.715 2.948 -0.361) 3.055 46.543 ( -2.467 1.938 3.035) 4.365 46.753 ( 1.564 4.236 -3.272) 5.576 88.820 ( -3.363 -0.195 -0.971) 3.506 89.056 ( -26.192 -9.967 -1.904) 28.089 89.533 ( 1.045 4.938 4.567) 6.807 90.267 ( -7.524 6.630 -13.838) 17.090 ======================= Grid point 226 (105/196) ======================= q-point: (-0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -11.871 17.735 18.449) 28.211 1.342 ( 3.011 21.109 17.244) 27.423 1.776 ( -3.983 7.030 18.719) 20.389 2.323 ( -10.781 16.205 10.408) 22.071 2.580 ( 0.376 2.366 -6.962) 7.363 2.907 ( 0.003 4.239 1.260) 4.423 3.341 ( 6.090 3.435 0.755) 7.033 3.525 ( 5.261 3.518 2.243) 6.715 3.768 ( 1.208 0.573 -1.190) 1.790 3.912 ( 12.366 1.321 -13.253) 18.174 4.414 ( 6.057 -2.662 7.800) 10.228 4.754 ( -5.764 0.895 5.693) 8.151 5.286 ( -3.971 9.913 -9.360) 14.201 5.892 ( -0.353 -7.212 -8.407) 11.083 6.363 ( -3.071 -0.623 2.320) 3.899 6.891 ( -0.585 -10.070 -4.130) 10.900 6.985 ( -1.975 4.656 4.040) 6.473 7.292 ( -1.560 1.663 -2.929) 3.712 7.665 ( 5.607 5.066 10.404) 12.859 8.102 ( -2.861 -1.168 2.011) 3.687 8.342 ( 10.510 -0.049 -3.302) 11.017 8.442 ( -2.180 1.327 -10.200) 10.514 8.860 ( 4.257 -3.873 2.457) 6.258 9.045 ( -5.175 0.310 -3.616) 6.321 9.250 ( 5.323 -0.199 3.431) 6.336 9.493 ( -2.658 -1.646 -2.727) 4.149 11.373 ( -10.258 1.853 2.886) 10.816 11.736 ( 13.379 1.018 -5.982) 14.690 12.198 ( -12.125 -3.295 3.535) 13.052 12.306 ( 6.007 -3.732 1.798) 7.297 12.839 ( -13.131 -2.386 3.097) 13.701 13.051 ( -0.582 2.244 -2.285) 3.255 13.451 ( 2.482 1.838 4.324) 5.314 13.787 ( -0.386 4.855 -6.331) 7.988 22.792 ( -0.424 -2.569 2.599) 3.679 22.931 ( -3.634 -9.349 0.696) 10.054 23.405 ( 1.227 2.997 3.522) 4.784 23.636 ( -6.050 5.098 -1.693) 8.090 23.661 ( -1.696 -0.679 3.402) 3.862 23.863 ( 12.944 2.599 -4.311) 13.889 24.851 ( -1.534 3.587 3.629) 5.328 25.238 ( 3.541 7.584 -8.794) 12.140 26.122 ( 2.912 -4.191 4.974) 7.126 26.448 ( -17.733 -3.799 -2.859) 18.359 29.382 ( -0.221 -1.835 3.617) 4.062 29.706 ( 11.823 -3.504 -4.308) 13.062 29.940 ( -5.078 -2.074 4.021) 6.802 30.126 ( 9.563 -3.001 1.495) 10.133 46.507 ( -2.089 1.730 2.907) 3.976 46.705 ( 1.612 3.432 -2.806) 4.717 88.788 ( -12.831 -1.858 1.184) 13.019 88.828 ( 2.979 -0.229 -0.348) 3.008 89.508 ( -1.325 4.440 5.395) 7.111 90.001 ( -1.285 9.692 -10.523) 14.364 ======================= Grid point 229 (106/196) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -0.175 -0.000 7.768) 7.770 2.068 ( 15.078 0.000 12.447) 19.552 2.614 ( 0.215 0.000 -12.906) 12.907 2.766 ( 24.048 0.000 -8.690) 25.569 2.821 ( 5.696 0.000 7.403) 9.341 3.108 ( 14.419 0.000 0.847) 14.444 3.571 ( -2.827 -0.000 2.460) 3.748 3.585 ( 3.166 0.000 -0.100) 3.167 4.023 ( -0.946 -0.000 -3.454) 3.581 4.146 ( 8.722 0.000 2.523) 9.080 4.609 ( 7.652 0.000 -1.022) 7.720 4.675 ( 9.975 0.000 -17.610) 20.239 5.371 ( -2.508 -0.000 12.992) 13.232 5.693 ( 8.532 0.000 -9.628) 12.864 6.126 ( -9.056 -0.000 8.707) 12.563 6.415 ( -14.768 -0.000 11.030) 18.433 6.977 ( 5.209 0.000 -2.102) 5.617 7.195 ( 7.883 0.000 0.359) 7.891 7.810 ( 2.867 0.000 -5.192) 5.931 8.268 ( -11.977 -0.000 0.274) 11.980 8.333 ( 4.277 0.000 -2.166) 4.794 8.417 ( 4.718 0.000 6.362) 7.920 8.536 ( -3.233 -0.000 0.066) 3.234 9.184 ( -1.008 -0.000 -7.960) 8.024 9.351 ( -0.697 -0.000 -3.129) 3.205 9.406 ( -1.475 -0.000 5.380) 5.578 11.143 ( 0.588 0.000 -2.786) 2.847 11.804 ( -6.368 -0.000 0.965) 6.440 12.240 ( 2.598 0.000 7.904) 8.320 12.270 ( 4.271 0.000 -2.711) 5.058 13.084 ( -2.807 -0.000 -1.735) 3.300 13.148 ( 5.048 0.000 -6.005) 7.845 13.842 ( 0.617 0.000 0.129) 0.631 14.115 ( 5.755 0.000 7.113) 9.150 22.525 ( -4.478 -0.000 2.561) 5.158 22.549 ( -5.215 -0.000 -1.049) 5.319 23.439 ( 0.012 0.000 1.787) 1.787 23.679 ( 1.027 0.000 -1.237) 1.607 24.091 ( 6.269 0.000 8.797) 10.802 24.184 ( -0.774 -0.000 -10.004) 10.034 25.215 ( 8.328 0.000 -3.953) 9.218 25.408 ( 7.596 0.000 -0.527) 7.615 25.630 ( -3.353 -0.000 -1.483) 3.666 26.694 ( -3.206 -0.000 11.631) 12.065 29.207 ( -3.497 -0.000 -3.295) 4.804 29.561 ( -1.319 -0.000 -7.870) 7.980 29.818 ( -0.893 -0.000 3.466) 3.579 30.566 ( -0.065 -0.000 -5.687) 5.688 46.524 ( 0.843 0.000 2.413) 2.556 46.817 ( 4.877 0.000 -1.056) 4.990 89.304 ( 1.020 0.000 -0.377) 1.087 89.515 ( -5.700 -0.000 -5.635) 8.015 89.740 ( 11.148 0.000 -8.110) 13.786 90.098 ( 16.180 0.000 15.787) 22.606 ======================= Grid point 230 (107/196) ======================= q-point: ( 0.30 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 3.789 -1.437 4.312) 5.917 2.286 ( 9.804 2.403 -2.942) 10.515 2.539 ( 0.618 2.474 -2.264) 3.410 2.816 ( 6.190 11.969 1.291) 13.537 3.004 ( 9.772 -1.412 -4.456) 10.833 3.317 ( 8.999 -1.451 -1.647) 9.263 3.558 ( -0.313 0.937 4.605) 4.709 3.725 ( 7.706 -9.187 -1.127) 12.044 3.992 ( -0.286 -1.003 -2.413) 2.629 4.247 ( 4.294 0.707 -0.428) 4.373 4.589 ( 8.908 9.085 -8.556) 15.333 4.856 ( 7.805 -10.116 -2.665) 13.052 5.333 ( -10.593 0.396 7.405) 12.931 5.774 ( 4.642 -3.970 -5.535) 8.243 6.026 ( -4.456 7.457 6.634) 10.930 6.409 ( -7.119 -10.472 12.208) 17.589 6.999 ( 8.459 8.036 -4.378) 12.461 7.336 ( 6.068 -3.056 0.538) 6.816 7.852 ( 6.113 -0.929 -3.322) 7.019 8.075 ( -11.441 1.965 1.278) 11.678 8.322 ( -0.279 -0.184 -3.915) 3.929 8.494 ( -0.001 0.471 3.253) 3.287 8.619 ( 8.998 -1.527 4.339) 10.106 9.103 ( 0.503 3.666 -6.426) 7.415 9.306 ( -3.257 0.215 -3.561) 4.831 9.415 ( -0.865 -0.255 4.121) 4.218 11.146 ( 2.985 0.457 -2.585) 3.975 11.724 ( -3.158 2.331 0.841) 4.014 12.276 ( 0.224 0.857 -0.711) 1.136 12.353 ( 1.790 -3.320 5.194) 6.419 13.018 ( -3.823 -0.213 -3.359) 5.093 13.148 ( -0.074 0.506 -2.165) 2.225 13.829 ( -3.790 -2.146 -0.656) 4.405 14.219 ( 1.329 0.131 6.664) 6.797 22.482 ( -0.939 0.962 -0.320) 1.382 22.509 ( -1.765 -0.842 1.360) 2.382 23.448 ( -1.033 -0.516 2.055) 2.358 23.681 ( 0.330 -0.137 -1.395) 1.440 24.082 ( -2.768 0.981 -9.157) 9.616 24.204 ( -0.042 -0.743 8.387) 8.420 25.322 ( 8.606 1.789 -0.700) 8.817 25.440 ( -0.304 0.733 0.149) 0.807 25.635 ( 5.015 -0.626 -3.646) 6.232 26.702 ( -6.216 -0.804 8.594) 10.637 29.150 ( -2.035 -0.333 -1.869) 2.783 29.490 ( -1.023 -0.084 -7.078) 7.152 29.838 ( -0.836 -0.730 3.835) 3.992 30.504 ( -0.731 2.279 -5.088) 5.623 46.559 ( 1.127 -0.324 2.375) 2.648 46.878 ( 4.833 0.432 -1.321) 5.029 89.306 ( -2.675 -0.375 2.914) 3.973 89.367 ( -7.193 0.964 -5.182) 8.918 89.785 ( 5.159 1.983 -7.740) 9.511 90.406 ( 8.635 -1.644 13.554) 16.154 ======================= Grid point 231 (108/196) ======================= q-point: ( 0.40 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 3.978 1.403 -2.142) 4.731 2.266 ( 4.257 3.595 -9.875) 11.338 2.557 ( 6.359 7.452 5.942) 11.458 2.756 ( 0.393 8.122 5.158) 9.630 3.078 ( 8.442 6.043 -5.115) 11.574 3.339 ( -3.407 -1.662 -1.158) 3.964 3.598 ( 1.633 0.834 3.631) 4.067 3.916 ( 7.006 -3.921 -6.591) 10.387 4.015 ( 3.617 0.414 -0.155) 3.644 4.242 ( -1.560 3.207 -0.084) 3.567 4.571 ( 3.988 3.077 -3.909) 6.376 4.933 ( -9.041 -0.879 6.078) 10.929 5.339 ( 5.547 -9.437 -3.652) 11.539 5.784 ( -8.140 -5.306 -2.530) 10.040 5.952 ( 1.495 5.733 4.331) 7.339 6.604 ( 0.803 -11.675 13.286) 17.705 6.974 ( 10.562 11.644 -6.956) 17.191 7.395 ( -1.142 1.015 1.344) 2.035 7.936 ( 0.009 -0.671 0.049) 0.673 7.984 ( 5.557 -2.055 -1.987) 6.249 8.325 ( 2.951 -1.093 -2.877) 4.264 8.452 ( -4.688 0.960 -1.056) 4.900 8.822 ( 9.613 -0.666 5.807) 11.250 9.016 ( -0.587 5.257 -2.603) 5.896 9.188 ( -6.450 3.046 -2.084) 7.431 9.466 ( 3.211 -1.831 0.696) 3.762 11.185 ( 6.557 1.047 -3.231) 7.385 11.679 ( 0.764 3.297 1.913) 3.888 12.240 ( -2.978 0.205 -1.585) 3.380 12.437 ( -1.566 -3.367 5.005) 6.232 12.931 ( -4.244 0.027 -4.359) 6.084 13.118 ( -3.432 -1.469 0.334) 3.748 13.781 ( -7.549 -4.310 -0.737) 8.724 14.241 ( -2.713 1.189 4.805) 5.644 22.481 ( 2.464 0.121 -1.443) 2.858 22.526 ( 1.155 -0.483 2.198) 2.529 23.453 ( -1.429 -0.651 2.255) 2.748 23.669 ( -0.518 0.621 -1.087) 1.354 23.954 ( -4.542 1.275 -7.400) 8.776 24.240 ( -4.281 -1.982 6.917) 8.373 25.325 ( -0.521 6.361 3.269) 7.171 25.501 ( 7.313 -1.319 -2.378) 7.803 25.688 ( 4.874 -0.337 -4.352) 6.543 26.666 ( -7.832 -2.301 5.191) 9.674 29.131 ( -0.826 -0.854 0.478) 1.281 29.433 ( -0.397 -0.108 -6.052) 6.066 29.861 ( -1.350 -1.096 3.705) 4.092 30.425 ( -0.708 3.196 -4.525) 5.585 46.594 ( 0.855 -0.040 2.442) 2.588 46.921 ( 4.158 1.528 -1.865) 4.806 89.192 ( -9.326 1.042 -2.088) 9.613 89.300 ( -5.514 -2.235 2.267) 6.367 89.748 ( 1.471 3.016 -5.753) 6.660 90.572 ( 1.779 -0.493 8.211) 8.416 ======================= Grid point 232 (109/196) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.186 9.772 -3.755) 10.470 2.280 ( 7.655 2.870 -2.752) 8.627 2.590 ( 8.964 11.656 1.968) 14.836 2.705 ( -5.214 2.698 9.062) 10.797 3.014 ( 2.127 9.177 -4.013) 10.239 3.322 ( -3.628 -3.745 1.305) 5.376 3.612 ( 0.458 2.308 0.261) 2.367 3.936 ( 0.114 1.108 -4.560) 4.694 3.996 ( 0.846 9.290 -3.573) 9.989 4.165 ( -1.736 3.240 4.299) 5.656 4.450 ( -10.045 6.669 0.507) 12.068 4.940 ( 0.801 -5.989 -0.499) 6.063 5.508 ( 1.062 -4.694 1.712) 5.108 5.698 ( -4.645 -4.660 -3.308) 7.364 5.997 ( 4.249 -3.492 0.757) 5.551 6.819 ( -0.275 -3.164 7.085) 7.764 6.958 ( 13.483 6.880 -4.541) 15.803 7.337 ( -2.396 3.690 1.415) 4.621 7.951 ( 0.788 -1.266 -0.367) 1.536 8.120 ( 6.486 -3.134 -1.489) 7.355 8.378 ( -0.498 -0.981 -1.107) 1.561 8.382 ( 3.484 -1.241 -2.373) 4.394 8.839 ( -5.518 6.545 -0.500) 8.575 8.930 ( -2.149 5.863 -2.123) 6.595 9.141 ( 3.345 -1.137 5.962) 6.930 9.532 ( 2.969 -1.350 -2.171) 3.918 11.263 ( 10.163 1.696 -4.486) 11.237 11.700 ( 4.591 3.150 4.216) 6.984 12.165 ( -5.347 -0.345 -2.581) 5.947 12.453 ( -6.107 -2.663 4.626) 8.111 12.843 ( -3.554 -0.261 -3.912) 5.292 13.098 ( -3.977 -3.718 0.418) 5.460 13.706 ( -10.446 -5.278 0.024) 11.704 14.184 ( -5.838 1.918 2.430) 6.609 22.524 ( 4.653 -0.405 -1.892) 5.039 22.583 ( 3.254 -0.644 2.382) 4.084 23.453 ( -1.140 0.211 2.134) 2.429 23.634 ( -1.858 1.351 -0.567) 2.366 23.828 ( -4.679 0.680 -4.088) 6.250 24.236 ( -6.834 -3.261 5.175) 9.172 25.255 ( -0.900 7.049 3.627) 7.979 25.582 ( 6.163 1.175 -3.784) 7.327 25.724 ( 4.152 -0.578 -4.545) 6.183 26.611 ( -9.097 -4.071 2.819) 10.358 29.153 ( 0.242 -1.475 2.699) 3.085 29.395 ( 0.501 0.098 -4.687) 4.715 29.877 ( -1.867 -1.260 3.323) 4.015 30.342 ( -0.773 3.526 -4.110) 5.470 46.616 ( 0.164 0.702 2.605) 2.703 46.932 ( 3.160 2.825 -2.522) 4.932 89.035 ( -9.092 0.300 -1.614) 9.239 89.230 ( -11.876 -3.831 2.124) 12.658 89.696 ( 2.207 4.224 -2.468) 5.367 90.600 ( -2.511 0.451 2.132) 3.325 ======================= Grid point 233 (110/196) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -1.410 12.591 6.537) 14.257 2.308 ( 2.030 4.923 -2.446) 5.860 2.465 ( 1.599 21.110 3.335) 21.431 2.717 ( 1.064 -0.147 6.205) 6.297 2.947 ( 0.650 2.511 0.944) 2.761 3.321 ( -3.279 -0.813 3.326) 4.741 3.516 ( -3.971 10.923 -2.011) 11.795 3.756 ( -10.284 4.842 1.618) 11.481 3.934 ( 7.938 5.220 -8.725) 12.899 4.148 ( -4.345 2.977 -0.262) 5.274 4.257 ( -0.154 8.825 5.629) 10.468 4.939 ( -8.325 -0.029 2.723) 8.759 5.545 ( -0.392 -5.844 -1.235) 5.986 5.716 ( 0.596 -0.383 -0.015) 0.709 6.168 ( 6.462 -12.090 -4.203) 14.338 6.772 ( 6.342 11.119 -7.910) 15.047 7.115 ( 4.955 -3.604 5.627) 8.319 7.273 ( -0.785 4.139 -0.250) 4.220 7.935 ( -3.085 0.651 0.880) 3.273 8.242 ( 6.249 -3.773 -1.010) 7.369 8.344 ( -3.088 5.571 0.677) 6.406 8.452 ( 0.460 -2.655 -0.376) 2.720 8.649 ( -2.302 4.096 -7.172) 8.574 8.872 ( 3.745 2.187 3.035) 5.293 9.242 ( 0.575 -0.771 5.048) 5.138 9.541 ( 0.133 -0.518 -4.472) 4.504 11.368 ( 11.930 2.297 -4.672) 13.016 11.778 ( 4.543 3.271 6.323) 8.445 12.071 ( -4.538 -1.552 -4.055) 6.280 12.392 ( -10.682 -2.010 4.563) 11.789 12.792 ( -1.769 -1.427 -2.064) 3.070 13.100 ( -2.663 -4.653 -0.998) 5.454 13.609 ( -11.308 -3.892 1.519) 12.055 14.071 ( -7.284 1.736 -0.220) 7.492 22.594 ( 5.491 -0.873 -1.766) 5.834 22.661 ( 3.287 -1.139 2.178) 4.104 23.447 ( 0.484 2.011 1.729) 2.696 23.579 ( -3.377 0.488 0.615) 3.467 23.759 ( -1.942 0.237 -0.328) 1.984 24.186 ( -9.869 -3.153 2.731) 10.714 25.177 ( -1.349 7.591 3.793) 8.592 25.588 ( 5.182 4.288 -7.909) 10.382 25.776 ( 4.677 -2.107 -2.089) 5.539 26.540 ( -10.865 -5.581 1.144) 12.268 29.211 ( 1.052 -2.157 4.171) 4.812 29.383 ( 2.265 0.556 -2.517) 3.431 29.887 ( -2.217 -1.463 3.074) 4.063 30.257 ( -0.976 3.604 -3.860) 5.370 46.617 ( -0.687 1.622 2.821) 3.326 46.908 ( 2.192 3.851 -3.136) 5.429 88.903 ( -7.278 -0.065 -1.185) 7.374 89.084 ( -16.321 -4.556 0.986) 16.973 89.677 ( 3.512 5.241 1.249) 6.432 90.529 ( -4.545 1.508 -3.754) 6.085 ======================= Grid point 234 (111/196) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -2.593 11.251 15.233) 19.114 2.053 ( -14.655 18.084 10.839) 25.677 2.376 ( 12.265 14.797 -4.336) 19.702 2.797 ( 6.662 1.598 0.251) 6.856 2.913 ( -3.742 6.059 7.177) 10.110 3.111 ( -12.422 16.306 -1.563) 20.558 3.435 ( 3.846 -0.271 6.773) 7.793 3.621 ( -5.205 3.625 -0.631) 6.374 3.922 ( 6.031 5.044 -11.764) 14.149 3.974 ( 0.588 7.679 -4.337) 8.839 4.300 ( 2.847 3.901 12.660) 13.550 4.813 ( -11.734 0.337 8.582) 14.542 5.588 ( 0.280 -3.432 -10.607) 11.152 5.710 ( -1.251 -0.371 2.359) 2.696 6.378 ( 4.075 -14.439 -6.659) 16.415 6.660 ( 7.026 11.980 -9.646) 16.909 7.188 ( -4.178 2.243 0.960) 4.838 7.246 ( 4.442 -0.145 2.658) 5.178 7.903 ( -0.812 2.427 2.571) 3.628 8.124 ( -9.097 8.398 4.808) 13.281 8.381 ( 4.465 -1.025 -4.387) 6.343 8.438 ( -0.529 -1.478 -3.027) 3.410 8.636 ( 5.367 -1.944 -1.907) 6.018 9.017 ( 10.914 -1.206 2.383) 11.236 9.219 ( -5.973 0.454 0.062) 5.990 9.501 ( -2.528 -1.132 -3.752) 4.664 11.473 ( 8.628 2.742 -1.420) 9.164 11.765 ( -3.636 2.955 0.373) 4.700 12.088 ( 6.108 -2.402 -0.501) 6.583 12.269 ( -13.336 -1.821 4.377) 14.154 12.791 ( -2.606 -2.948 1.539) 4.225 13.106 ( -2.092 -3.419 -3.067) 5.047 13.514 ( -6.361 -0.021 3.443) 7.233 13.945 ( -5.658 0.848 -3.079) 6.497 22.678 ( 5.218 -1.708 -0.923) 5.568 22.721 ( -0.109 -2.076 1.658) 2.659 23.449 ( 1.559 2.257 2.127) 3.470 23.569 ( 1.500 0.202 3.703) 4.000 23.746 ( 0.218 0.557 0.585) 0.837 24.054 ( -12.946 -1.074 -0.651) 13.007 25.082 ( -2.428 7.684 3.679) 8.859 25.527 ( 5.424 6.659 -10.762) 13.769 25.886 ( 5.731 -3.611 1.116) 6.865 26.444 ( -12.714 -6.276 -0.637) 14.193 29.283 ( 0.460 -2.157 4.166) 4.714 29.435 ( 6.820 -0.525 0.885) 6.897 29.893 ( -2.683 -1.613 2.950) 4.301 30.173 ( -0.940 3.276 -3.490) 4.878 46.598 ( -1.389 2.413 3.009) 4.099 46.860 ( 1.495 4.295 -3.562) 5.777 88.817 ( -3.326 -0.046 -0.769) 3.414 88.903 ( -15.232 -3.376 0.687) 15.616 89.675 ( 2.718 6.145 3.986) 7.813 90.385 ( -4.451 3.609 -8.711) 10.427 ======================= Grid point 235 (112/196) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -2.373 8.302 17.810) 19.793 1.733 ( -7.861 21.087 15.724) 27.454 2.309 ( 13.240 23.872 -0.247) 27.299 2.670 ( -5.156 13.868 -5.676) 15.847 2.779 ( -8.660 12.773 7.189) 17.024 2.943 ( 4.971 -0.053 3.359) 6.000 3.464 ( -6.028 4.137 -1.737) 7.514 3.587 ( 7.454 -0.228 6.672) 10.007 3.833 ( 5.046 6.352 -7.013) 10.723 3.975 ( 10.893 3.346 -10.025) 15.177 4.393 ( 2.076 1.172 12.115) 12.347 4.738 ( -10.317 -1.223 12.426) 16.197 5.445 ( -7.036 2.188 -13.289) 15.195 5.741 ( -0.218 -3.343 0.675) 3.417 6.455 ( -0.210 1.076 -10.444) 10.501 6.619 ( 4.093 -5.275 -5.272) 8.507 7.097 ( -4.177 3.494 2.122) 5.845 7.312 ( 2.048 0.301 0.372) 2.103 7.841 ( -0.230 7.924 6.495) 10.248 8.060 ( -0.688 -0.680 4.762) 4.859 8.358 ( 2.854 0.780 -5.255) 6.030 8.452 ( 0.830 -0.824 -6.291) 6.399 8.759 ( 3.691 -3.430 2.575) 5.659 9.049 ( -4.137 0.516 -6.076) 7.369 9.244 ( 9.184 -0.335 2.538) 9.534 9.441 ( -6.045 -2.472 -1.952) 6.816 11.449 ( -6.892 4.006 2.103) 8.244 11.754 ( 9.302 0.291 -4.707) 10.430 12.126 ( -13.132 -1.913 4.629) 14.055 12.236 ( 7.687 -2.224 1.429) 8.129 12.774 ( -8.378 -3.179 4.084) 9.847 13.083 ( 0.971 0.320 -3.388) 3.539 13.505 ( 3.075 2.301 4.719) 6.085 13.857 ( -0.179 0.932 -5.737) 5.815 22.723 ( -4.005 -2.723 1.128) 4.973 22.774 ( 2.456 -3.733 0.545) 4.502 23.476 ( 2.454 1.798 4.739) 5.632 23.650 ( 3.993 1.164 3.686) 5.558 23.747 ( -1.489 3.248 0.656) 3.633 23.874 ( -3.653 -1.308 -4.353) 5.831 24.979 ( -2.745 6.664 3.608) 8.059 25.440 ( 6.445 8.106 -11.553) 15.515 26.014 ( -0.167 -4.189 4.770) 6.350 26.336 ( -8.071 -5.003 -2.283) 9.766 29.335 ( -0.433 -1.830 4.071) 4.484 29.606 ( 10.853 -3.821 0.107) 11.507 29.891 ( -3.301 -1.588 3.302) 4.931 30.114 ( 0.748 1.323 -1.995) 2.508 46.565 ( -1.669 2.785 3.085) 4.479 46.801 ( 1.205 4.117 -3.558) 5.573 88.756 ( -6.784 -0.759 1.452) 6.979 88.823 ( 3.897 -0.181 -0.587) 3.946 89.653 ( 0.304 6.945 5.685) 8.980 90.203 ( -1.725 6.286 -11.132) 12.900 ======================= Grid point 236 (113/196) ======================= q-point: (-0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 1.253 20.631 11.592) 23.698 1.658 ( 4.316 6.570 18.206) 19.830 2.205 ( 9.455 25.359 9.348) 28.633 2.428 ( 0.868 11.889 -1.075) 11.969 2.642 ( 1.198 6.331 3.332) 7.254 2.967 ( -0.128 4.339 -1.375) 4.553 3.430 ( 4.831 -2.503 -0.448) 5.459 3.707 ( 8.412 5.592 2.970) 10.528 3.781 ( 0.391 3.581 -3.307) 4.891 4.030 ( 13.176 2.935 -14.180) 19.578 4.511 ( 3.098 -0.772 10.371) 10.852 4.686 ( -9.664 -1.130 6.773) 11.855 5.225 ( -6.425 3.369 -4.833) 8.717 5.780 ( -0.109 -3.210 -1.690) 3.629 6.311 ( -4.831 3.112 -6.309) 8.534 6.720 ( -0.242 -10.249 -5.575) 11.670 7.012 ( -4.703 3.319 3.750) 6.871 7.282 ( -3.027 4.557 1.452) 5.660 7.869 ( 4.328 2.460 7.815) 9.265 8.074 ( -0.976 1.196 2.359) 2.819 8.363 ( -0.787 4.463 -9.994) 10.973 8.416 ( 4.582 -4.689 -3.477) 7.421 8.779 ( -8.373 -5.813 0.393) 10.201 9.062 ( 8.376 -0.463 0.028) 8.389 9.337 ( -1.811 -1.627 -2.575) 3.543 9.395 ( 1.570 -0.319 0.759) 1.773 11.305 ( -5.192 3.306 -1.102) 6.253 11.890 ( 7.728 -1.861 0.195) 7.952 12.016 ( -6.725 -1.417 1.741) 7.089 12.324 ( -2.242 0.732 4.363) 4.960 12.751 ( 2.552 -3.206 -1.351) 4.315 13.095 ( 2.390 0.463 -0.122) 2.437 13.591 ( 7.265 2.509 4.781) 9.052 13.836 ( 6.453 3.021 -6.326) 9.528 22.691 ( -7.140 -4.079 1.558) 8.369 22.830 ( -2.770 -3.235 1.423) 4.490 23.508 ( -2.377 4.851 3.363) 6.363 23.611 ( 1.617 3.445 1.692) 4.165 23.682 ( 1.423 0.910 -0.302) 1.716 24.025 ( 14.375 -4.726 -4.476) 15.780 24.913 ( -0.414 3.755 4.258) 5.693 25.353 ( 7.257 8.967 -11.109) 16.015 25.979 ( -14.389 -4.363 3.870) 15.526 26.372 ( 5.802 -1.771 2.312) 6.492 29.368 ( -1.980 -1.785 2.988) 4.004 29.741 ( 4.418 -1.536 -7.439) 8.787 29.882 ( -3.584 -0.592 3.184) 4.830 30.205 ( 8.504 -7.248 0.827) 11.204 46.530 ( -1.449 2.563 2.991) 4.197 46.750 ( 1.637 3.313 -2.854) 4.669 88.777 ( 8.509 -1.497 -0.421) 8.650 88.953 ( 12.788 -0.911 0.807) 12.846 89.597 ( -1.709 6.780 6.149) 9.312 90.039 ( 1.916 8.032 -10.058) 13.013 ======================= Grid point 240 (114/196) ======================= q-point: ( 0.30 0.30 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 7.237 0.000 2.201) 7.564 2.309 ( 5.088 0.000 -15.255) 16.081 2.626 ( 0.631 0.000 9.866) 9.886 2.976 ( -3.636 -0.000 11.047) 11.630 3.045 ( 6.518 0.000 -9.221) 11.292 3.442 ( 9.977 0.000 -5.348) 11.320 3.629 ( 2.588 0.000 4.440) 5.139 3.730 ( 5.931 0.000 -2.803) 6.560 4.002 ( 4.897 0.000 -0.268) 4.905 4.278 ( 0.938 0.000 -2.851) 3.001 4.702 ( 1.518 0.000 -5.913) 6.105 4.928 ( 14.654 0.000 -2.359) 14.842 5.151 ( -15.732 -0.000 1.859) 15.841 5.705 ( -7.221 -0.000 -1.321) 7.341 6.082 ( -2.405 -0.000 6.970) 7.373 6.415 ( 4.698 0.000 12.996) 13.819 7.144 ( 9.131 0.000 -6.675) 11.311 7.386 ( 3.414 0.000 -1.628) 3.782 7.929 ( 7.823 0.000 -2.394) 8.181 7.960 ( -6.084 -0.000 1.621) 6.296 8.314 ( 3.642 0.000 -4.515) 5.801 8.462 ( -5.588 -0.000 -0.616) 5.621 8.810 ( 11.796 0.000 6.813) 13.622 9.086 ( -2.356 -0.000 -2.156) 3.194 9.234 ( -4.195 -0.000 -3.381) 5.388 9.438 ( 2.244 0.000 1.775) 2.862 11.199 ( 6.158 0.000 -2.048) 6.490 11.725 ( 0.848 0.000 0.483) 0.976 12.244 ( -3.126 -0.000 -2.511) 4.010 12.388 ( -1.109 -0.000 6.725) 6.816 12.936 ( -2.773 -0.000 -5.309) 5.989 13.092 ( -6.997 -0.000 1.430) 7.141 13.730 ( -6.391 -0.000 -1.757) 6.629 14.254 ( -2.979 -0.000 5.767) 6.491 22.481 ( 2.045 0.000 -2.314) 3.088 22.521 ( 1.158 0.000 2.848) 3.074 23.445 ( -1.164 -0.000 2.854) 3.082 23.677 ( 0.233 0.000 -0.963) 0.991 23.970 ( -4.838 -0.000 -8.151) 9.478 24.216 ( -4.853 -0.000 7.035) 8.546 25.419 ( -2.519 -0.000 1.328) 2.848 25.473 ( 10.704 0.000 -1.996) 10.889 25.687 ( 4.797 0.000 -2.347) 5.340 26.634 ( -8.786 -0.000 5.064) 10.141 29.121 ( -0.942 -0.000 0.476) 1.056 29.433 ( -0.499 -0.000 -5.414) 5.437 29.847 ( -1.218 -0.000 3.965) 4.148 30.465 ( -0.985 -0.000 -5.532) 5.619 46.593 ( 1.444 0.000 2.286) 2.704 46.940 ( 4.625 0.000 -1.775) 4.953 89.209 ( -9.514 -0.000 -4.384) 10.475 89.269 ( -6.718 -0.000 4.913) 8.323 89.789 ( 2.617 0.000 -8.175) 8.583 90.568 ( 1.905 0.000 11.267) 11.427 ======================= Grid point 241 (115/196) ======================= q-point: ( 0.40 0.30 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 7.764 5.018 -1.848) 9.427 2.310 ( 8.037 -0.715 -7.839) 11.249 2.666 ( -2.592 0.189 7.511) 7.948 2.875 ( -5.001 9.188 6.410) 12.268 3.134 ( -3.471 -9.906 1.240) 10.570 3.408 ( 8.379 17.364 -5.694) 20.103 3.663 ( 1.356 1.764 1.256) 2.555 3.853 ( 2.448 -8.815 -4.796) 10.329 4.121 ( 6.818 0.850 2.312) 7.249 4.239 ( -2.641 1.990 -0.955) 3.442 4.600 ( -7.510 3.860 0.307) 8.450 4.900 ( 1.976 6.655 -4.366) 8.201 5.262 ( 10.854 -15.218 -6.929) 19.936 5.564 ( -13.129 -1.874 1.122) 13.309 6.082 ( -0.206 4.830 8.601) 9.866 6.637 ( 5.636 -6.006 11.327) 14.005 7.175 ( 8.481 5.900 -8.086) 13.119 7.391 ( 0.224 0.600 -3.235) 3.298 7.937 ( 1.216 0.241 1.025) 1.608 8.048 ( 7.486 -2.343 -1.042) 7.913 8.349 ( 2.349 0.259 -2.545) 3.474 8.374 ( -0.685 -0.945 -3.739) 3.917 8.971 ( 0.051 3.507 2.113) 4.094 9.019 ( -2.737 0.886 1.005) 3.047 9.149 ( -0.773 1.334 2.520) 2.954 9.496 ( 3.444 -1.156 -1.629) 3.981 11.294 ( 9.592 0.689 -2.540) 9.947 11.762 ( 4.978 1.531 1.214) 5.348 12.160 ( -5.782 -0.067 -2.666) 6.368 12.397 ( -5.695 -1.466 6.193) 8.541 12.861 ( -1.293 1.415 -5.771) 6.081 12.996 ( -9.603 -3.567 2.293) 10.498 13.629 ( -6.980 -1.360 -1.121) 7.199 14.213 ( -6.865 0.510 3.797) 7.862 22.514 ( 4.482 -0.305 -2.578) 5.180 22.572 ( 2.764 -0.241 2.517) 3.746 23.460 ( 0.152 0.196 3.697) 3.706 23.667 ( -0.344 0.975 -0.830) 1.326 23.834 ( -6.154 -0.041 -6.095) 8.661 24.179 ( -7.245 -1.233 5.792) 9.357 25.385 ( -0.898 2.851 1.555) 3.369 25.599 ( 8.643 0.324 -2.734) 9.070 25.727 ( 3.194 0.478 -1.942) 3.769 26.532 ( -9.888 -1.945 1.736) 10.226 29.129 ( -0.141 -0.495 2.966) 3.010 29.399 ( 0.480 0.134 -3.655) 3.689 29.857 ( -1.703 -0.418 3.738) 4.128 30.403 ( -0.868 1.300 -5.739) 5.948 46.629 ( 1.187 0.282 2.366) 2.662 46.980 ( 3.748 1.041 -2.485) 4.616 89.041 ( -9.272 0.128 -3.146) 9.792 89.175 ( -11.801 -0.917 4.376) 12.620 89.771 ( 3.431 1.646 -4.992) 6.277 90.618 ( -2.686 0.590 5.750) 6.373 ======================= Grid point 242 (116/196) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 4.989 11.643 0.323) 12.671 2.411 ( 8.423 2.305 -2.291) 9.028 2.684 ( -4.669 -2.161 8.789) 10.184 2.760 ( -2.783 4.589 4.208) 6.820 3.103 ( -9.652 1.692 1.500) 9.913 3.323 ( 8.461 9.374 -0.668) 12.645 3.654 ( 0.373 0.837 -2.035) 2.232 3.888 ( -2.853 1.885 -2.120) 4.023 4.063 ( -2.414 6.994 -3.238) 8.076 4.188 ( -3.324 0.684 2.609) 4.280 4.490 ( 2.641 7.939 0.324) 8.373 4.915 ( 3.962 -0.382 -3.390) 5.229 5.424 ( -10.077 -4.759 1.025) 11.192 5.527 ( 8.568 -12.186 -8.410) 17.107 6.092 ( 0.542 4.001 9.162) 10.012 6.830 ( 1.956 -4.703 5.880) 7.780 7.159 ( 8.249 6.029 -7.793) 12.851 7.352 ( 0.668 1.898 -4.003) 4.480 7.944 ( -2.709 0.297 2.208) 3.508 8.165 ( 6.067 -2.183 0.065) 6.448 8.374 ( 3.548 -1.759 -0.857) 4.051 8.423 ( 6.346 0.109 -4.245) 7.636 8.808 ( -8.332 7.150 -2.326) 11.223 8.940 ( -2.229 2.416 2.103) 3.902 9.239 ( 3.263 0.323 5.897) 6.747 9.515 ( -0.499 -1.320 -4.099) 4.335 11.416 ( 11.714 1.446 -3.689) 12.366 11.848 ( 6.846 2.210 4.063) 8.262 12.043 ( -6.782 -0.552 -4.503) 8.160 12.343 ( -10.399 -1.757 5.961) 12.115 12.779 ( -4.404 0.560 -0.961) 4.542 12.963 ( -2.749 -5.858 -2.734) 7.025 13.550 ( -5.607 -1.194 0.848) 5.795 14.104 ( -9.306 0.863 1.580) 9.478 22.575 ( 5.527 -0.591 -2.527) 6.106 22.635 ( 2.585 -0.837 1.857) 3.291 23.497 ( 2.688 1.707 4.010) 5.120 23.611 ( -3.783 2.118 -1.209) 4.501 23.742 ( -2.881 -1.655 -2.237) 4.005 24.121 ( -8.766 -1.953 4.288) 9.952 25.343 ( -0.271 5.180 2.261) 5.658 25.668 ( 6.675 2.126 -5.050) 8.636 25.750 ( 2.927 0.061 -1.607) 3.339 26.424 ( -10.553 -3.805 -0.221) 11.220 29.170 ( 0.445 -1.146 4.788) 4.943 29.394 ( 2.017 0.339 -1.775) 2.708 29.862 ( -1.904 -0.609 3.358) 3.907 30.328 ( -0.866 2.046 -5.885) 6.291 46.651 ( 0.486 1.029 2.602) 2.840 46.985 ( 2.545 2.256 -3.221) 4.684 88.902 ( -7.005 -0.079 -2.093) 7.312 89.021 ( -13.990 -1.085 2.733) 14.295 89.782 ( 4.782 3.079 -0.742) 5.736 90.570 ( -4.692 1.481 0.009) 4.920 ======================= Grid point 243 (117/196) ======================= q-point: (-0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.927 13.950 7.678) 15.950 2.386 ( -3.809 9.174 4.269) 10.812 2.639 ( -0.515 5.693 2.446) 6.218 2.801 ( 3.878 -1.091 3.377) 5.257 3.016 ( 1.883 2.316 2.186) 3.700 3.339 ( 1.082 3.102 5.073) 6.043 3.623 ( -2.914 -1.045 -3.632) 4.772 3.663 ( -5.648 16.783 -1.858) 17.805 4.002 ( 2.396 0.542 -5.309) 5.850 4.133 ( 0.840 4.315 -3.971) 5.924 4.469 ( 4.538 9.020 7.594) 12.634 4.852 ( -8.861 3.034 3.666) 10.058 5.443 ( 1.143 -7.255 -4.799) 8.773 5.665 ( 2.117 -6.650 -6.820) 9.758 6.138 ( 0.375 -1.998 5.567) 5.927 6.873 ( 2.272 2.608 -5.496) 6.494 7.164 ( 1.748 0.824 -1.296) 2.327 7.317 ( 2.777 2.616 -3.897) 5.454 7.919 ( -2.144 0.204 4.412) 4.910 8.287 ( 5.138 -2.291 -0.568) 5.654 8.346 ( -6.945 4.607 3.201) 8.928 8.458 ( 1.905 1.354 -5.708) 6.168 8.646 ( 2.192 3.378 -1.583) 4.327 9.002 ( 10.312 0.008 1.789) 10.466 9.251 ( -3.536 2.018 1.398) 4.305 9.463 ( -4.704 -1.827 -3.837) 6.340 11.533 ( 10.000 1.891 -3.094) 10.637 11.840 ( -8.192 2.884 1.397) 8.796 12.034 ( 8.752 -1.727 -1.850) 9.111 12.233 ( -12.319 -1.152 5.439) 13.516 12.718 ( -7.183 -2.908 3.204) 8.386 13.005 ( 3.552 -4.366 -6.110) 8.307 13.517 ( -1.416 0.229 3.180) 3.489 13.962 ( -8.666 0.542 -0.775) 8.718 22.647 ( 5.092 -0.906 -1.908) 5.513 22.680 ( -0.177 -1.369 0.860) 1.626 23.503 ( -1.718 2.199 0.334) 2.811 23.589 ( 4.470 1.291 5.229) 6.999 23.736 ( 0.035 -1.550 -1.157) 1.934 24.023 ( -10.611 -0.993 2.140) 10.870 25.274 ( -1.333 7.349 2.774) 7.968 25.667 ( 6.071 4.532 -9.128) 11.862 25.811 ( 4.182 -2.177 1.306) 4.892 26.314 ( -11.029 -4.593 -1.361) 12.024 29.233 ( 0.467 -1.722 5.426) 5.712 29.431 ( 4.541 0.051 0.237) 4.548 29.865 ( -1.913 -0.646 3.079) 3.682 30.244 ( -0.986 2.385 -5.953) 6.488 46.653 ( -0.395 1.958 2.923) 3.541 46.954 ( 1.397 3.211 -3.776) 5.150 88.817 ( -2.796 0.047 -1.125) 3.014 88.858 ( -11.289 -0.736 1.547) 11.418 89.814 ( 4.735 4.811 2.811) 7.312 90.457 ( -4.773 2.308 -4.995) 7.284 ======================= Grid point 244 (118/196) ======================= q-point: (-0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -1.057 12.407 11.624) 17.034 2.214 ( -2.461 16.266 10.608) 19.574 2.619 ( 7.156 5.261 -5.534) 10.465 2.907 ( 5.742 -0.395 3.011) 6.495 2.998 ( -3.810 8.983 6.778) 11.880 3.273 ( 1.890 21.604 -2.573) 21.838 3.463 ( -5.538 -3.436 4.092) 7.696 3.538 ( -3.241 -0.864 -2.092) 3.953 4.021 ( 9.584 1.878 -8.642) 13.041 4.065 ( 5.189 8.075 -5.384) 11.005 4.481 ( -1.020 5.819 12.104) 13.468 4.739 ( -7.385 1.782 9.915) 12.491 5.431 ( -5.379 -2.325 -10.603) 12.115 5.706 ( 1.955 -2.025 -1.284) 3.094 6.223 ( -0.971 -8.865 -1.040) 8.979 6.781 ( 2.637 7.437 -10.798) 13.374 7.132 ( -5.516 -0.109 1.119) 5.630 7.333 ( 4.983 1.443 -0.976) 5.279 7.939 ( 0.175 0.533 3.986) 4.025 8.165 ( -4.818 7.942 4.989) 10.544 8.373 ( 0.153 0.266 -7.270) 7.277 8.394 ( -0.029 -3.183 0.006) 3.183 8.730 ( 7.469 1.174 1.799) 7.771 9.089 ( -2.491 2.771 -6.625) 7.601 9.236 ( 10.361 -0.232 2.067) 10.568 9.378 ( -7.940 -2.477 -1.404) 8.435 11.547 ( -5.443 3.548 0.611) 6.526 11.748 ( 2.920 -0.651 -3.132) 4.332 12.108 ( -9.767 0.196 4.148) 10.613 12.192 ( 9.450 -1.337 0.923) 9.589 12.677 ( -8.655 -4.586 4.373) 10.726 13.065 ( 4.670 -1.715 -5.435) 7.368 13.556 ( 4.372 1.778 4.918) 6.816 13.855 ( -3.023 -0.627 -3.458) 4.636 22.669 ( -4.212 -1.708 0.236) 4.551 22.715 ( 3.336 -1.555 -0.912) 3.792 23.489 ( 0.202 -0.105 3.655) 3.662 23.709 ( 7.479 2.997 5.257) 9.620 23.760 ( 3.416 -2.678 -2.094) 4.819 23.868 ( -10.569 1.736 -0.225) 10.713 25.166 ( -2.871 8.214 3.040) 9.217 25.617 ( 6.455 6.104 -10.973) 14.119 25.923 ( 1.695 -3.171 4.179) 5.513 26.213 ( -7.085 -4.919 -2.457) 8.968 29.293 ( -0.377 -1.639 4.872) 5.155 29.536 ( 7.777 -1.808 1.027) 8.050 29.866 ( -1.980 -0.465 3.124) 3.728 30.160 ( -0.942 2.010 -5.455) 5.889 46.635 ( -1.151 2.745 3.214) 4.380 46.898 ( 0.648 3.620 -3.966) 5.408 88.747 ( -4.951 -0.062 1.322) 5.124 88.821 ( 4.070 0.014 -0.683) 4.127 89.828 ( 2.722 6.974 5.358) 9.206 90.316 ( -2.663 3.177 -8.602) 9.549 ======================= Grid point 245 (119/196) ======================= q-point: (-0.20 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 2.998 9.327 11.651) 15.223 2.083 ( 4.301 21.140 10.224) 23.873 2.577 ( 0.274 6.101 -7.692) 9.822 2.829 ( -0.276 11.512 4.040) 12.203 2.926 ( -1.409 16.839 9.439) 19.355 3.074 ( 5.521 9.219 -3.408) 11.273 3.363 ( -3.948 -2.522 -4.287) 6.350 3.665 ( 2.624 -6.557 5.535) 8.973 4.001 ( 6.322 9.203 -5.516) 12.454 4.102 ( 14.717 3.810 -11.326) 18.957 4.494 ( -2.685 -0.715 11.940) 12.259 4.712 ( -5.492 4.038 12.823) 14.522 5.253 ( -8.785 -0.575 -7.589) 11.623 5.749 ( 2.508 0.532 1.306) 2.877 6.283 ( -3.335 -8.840 -6.768) 11.622 6.638 ( 0.771 6.028 -10.287) 11.947 7.051 ( -6.641 -0.139 2.733) 7.182 7.374 ( 2.850 2.732 0.927) 4.056 7.939 ( -0.649 2.495 3.622) 4.446 8.121 ( 1.498 3.035 5.008) 6.044 8.319 ( -0.847 -1.981 -5.743) 6.133 8.442 ( 2.600 -1.054 -2.597) 3.823 8.712 ( -7.218 2.575 -1.172) 7.752 9.049 ( 4.967 0.006 -0.335) 4.978 9.270 ( -6.979 -2.836 -2.757) 8.022 9.407 ( 8.585 0.480 0.496) 8.613 11.388 ( -7.144 3.246 -1.896) 8.073 11.813 ( -1.519 -3.899 2.871) 5.075 12.032 ( 0.572 1.922 0.048) 2.006 12.329 ( 4.973 -0.138 2.755) 5.687 12.660 ( -2.464 -4.369 1.161) 5.148 13.098 ( 2.083 -0.331 -1.961) 2.880 13.657 ( 7.624 2.644 5.129) 9.562 13.853 ( 5.264 -1.141 -5.249) 7.521 22.615 ( -6.319 -2.252 0.402) 6.720 22.761 ( -0.416 -2.279 0.242) 2.329 23.551 ( 0.723 -0.758 5.317) 5.419 23.687 ( -5.524 2.624 -0.875) 6.178 23.743 ( 2.683 2.236 -1.519) 3.808 23.934 ( 12.075 -1.488 1.501) 12.259 25.048 ( -3.023 7.050 3.563) 8.458 25.553 ( 7.237 7.114 -11.600) 15.413 25.905 ( -10.978 -1.748 3.034) 11.523 26.276 ( 6.385 -5.616 0.965) 8.558 29.328 ( -1.608 -1.394 3.598) 4.181 29.683 ( 7.524 -2.725 -3.779) 8.850 29.869 ( -1.551 -0.270 4.315) 4.594 30.111 ( 0.828 -0.981 -2.725) 3.012 46.602 ( -1.522 3.110 3.336) 4.808 46.835 ( 0.615 3.373 -3.621) 4.987 88.749 ( 4.187 -0.777 0.346) 4.272 88.935 ( 11.382 -0.522 0.139) 11.395 89.787 ( -1.089 8.289 5.774) 10.161 90.197 ( 2.112 4.716 -9.019) 10.394 ======================= Grid point 246 (120/196) ======================= q-point: (-0.10 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 1.432 14.070 5.738) 15.262 1.994 ( 7.649 13.051 10.401) 18.358 2.404 ( -4.763 9.123 0.066) 10.292 2.759 ( 1.705 5.994 3.963) 7.385 2.853 ( 16.523 16.021 0.841) 23.030 2.971 ( -4.021 5.148 -3.882) 7.598 3.437 ( 5.495 -6.361 -0.202) 8.408 3.736 ( -2.138 -0.804 -0.606) 2.363 3.982 ( 8.520 7.018 -0.243) 11.041 4.148 ( 9.536 5.510 -9.408) 14.485 4.563 ( -5.764 -0.974 0.760) 5.894 4.679 ( 6.680 3.513 9.607) 12.217 5.158 ( -5.016 -1.436 5.544) 7.613 5.785 ( 2.368 1.172 1.816) 3.206 6.203 ( -4.766 1.508 -10.547) 11.671 6.562 ( -1.827 -6.020 -7.022) 9.428 6.996 ( -4.607 0.895 4.498) 6.500 7.337 ( -2.504 6.383 4.159) 8.019 7.924 ( -1.143 1.414 1.086) 2.118 8.164 ( 4.081 1.840 3.720) 5.821 8.295 ( -2.544 -3.249 -4.684) 6.242 8.453 ( 4.567 4.198 -2.509) 6.692 8.584 ( -7.700 -3.350 -0.903) 8.445 9.091 ( -5.850 -5.006 1.367) 7.820 9.254 ( 4.141 -1.039 -1.237) 4.445 9.476 ( 3.335 1.755 -1.397) 4.019 11.257 ( -3.652 1.807 -4.098) 5.779 11.810 ( -8.938 -4.499 5.791) 11.561 12.085 ( 7.833 0.946 -1.392) 8.011 12.357 ( -0.202 3.478 3.700) 5.082 12.766 ( 9.005 -5.601 -3.592) 11.197 13.117 ( 0.726 -0.373 0.448) 0.931 13.769 ( 7.560 2.963 4.368) 9.220 13.936 ( 8.936 0.211 -4.019) 9.800 22.557 ( -6.390 -2.816 0.917) 7.043 22.749 ( -5.363 -1.683 1.022) 5.713 23.497 ( -3.379 2.728 -0.355) 4.358 23.707 ( 2.873 -0.197 -1.570) 3.280 23.780 ( 7.725 2.105 4.885) 9.379 24.117 ( 8.942 -2.363 -2.389) 9.553 24.985 ( -0.236 3.066 4.810) 5.709 25.486 ( 7.451 7.767 -11.428) 15.699 25.774 ( -10.597 -1.564 1.717) 10.848 26.463 ( 6.762 -3.914 5.008) 9.280 29.327 ( -3.075 -1.011 1.195) 3.450 29.715 ( 1.860 0.113 -8.727) 8.924 29.873 ( -1.465 1.250 2.889) 3.472 30.213 ( 5.226 -8.110 0.626) 9.668 46.567 ( -1.361 2.901 3.207) 4.534 46.789 ( 1.481 2.467 -2.769) 3.993 88.899 ( 12.649 -3.970 -1.328) 13.323 89.146 ( 13.942 -1.743 0.835) 14.075 89.694 ( -2.501 6.814 3.730) 8.161 90.133 ( 6.692 7.679 -5.888) 11.765 ======================= Grid point 251 (121/196) ======================= q-point: ( 0.40 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 10.072 0.000 -1.070) 10.128 2.387 ( 10.386 0.000 -2.261) 10.630 2.640 ( -8.015 -0.000 8.387) 11.601 2.918 ( -11.896 -0.000 12.187) 17.031 2.960 ( -2.277 -0.000 -4.576) 5.111 3.615 ( 3.074 0.000 -4.575) 5.512 3.700 ( -4.350 -0.000 -0.928) 4.448 3.744 ( 5.447 0.000 -1.551) 5.664 4.191 ( -4.979 -0.000 3.926) 6.341 4.221 ( 1.037 0.000 -4.194) 4.320 4.553 ( 2.062 0.000 2.708) 3.404 5.005 ( 10.067 0.000 -10.526) 14.565 5.204 ( -0.145 -0.000 -6.219) 6.221 5.432 ( -2.799 -0.000 2.184) 3.550 6.171 ( -1.734 -0.000 11.531) 11.661 6.745 ( 3.883 0.000 7.162) 8.147 7.249 ( 5.678 0.000 -8.293) 10.051 7.369 ( 1.491 0.000 -6.981) 7.138 7.949 ( -2.845 -0.000 2.676) 3.906 8.137 ( 6.253 0.000 1.219) 6.370 8.351 ( 5.274 0.000 -2.571) 5.867 8.420 ( 7.531 0.000 -4.550) 8.799 8.919 ( -9.800 -0.000 -1.834) 9.970 8.960 ( -3.412 -0.000 3.012) 4.551 9.246 ( 4.440 0.000 6.033) 7.491 9.495 ( -0.436 -0.000 -4.084) 4.107 11.434 ( 11.262 0.000 -2.741) 11.591 11.876 ( 8.273 0.000 0.962) 8.329 12.040 ( -7.954 -0.000 -2.823) 8.440 12.318 ( -10.031 -0.000 6.396) 11.896 12.812 ( -13.588 -0.000 4.434) 14.293 12.859 ( 5.584 0.000 -8.622) 10.272 13.537 ( -4.119 -0.000 0.634) 4.168 14.114 ( -9.910 -0.000 2.224) 10.157 22.567 ( 5.618 0.000 -2.683) 6.226 22.624 ( 2.306 0.000 1.758) 2.900 23.519 ( 3.348 0.000 5.161) 6.152 23.666 ( -0.327 -0.000 -0.926) 0.982 23.694 ( -7.056 -0.000 -4.366) 8.298 24.096 ( -8.116 -0.000 4.769) 9.414 25.407 ( 0.459 0.000 1.174) 1.260 25.694 ( 7.251 0.000 -4.418) 8.491 25.758 ( 1.725 0.000 -0.039) 1.725 26.372 ( -10.359 -0.000 -1.107) 10.418 29.155 ( 0.190 0.000 5.061) 5.064 29.398 ( 1.878 0.000 -1.562) 2.443 29.855 ( -1.771 -0.000 3.560) 3.976 30.353 ( -0.837 -0.000 -6.656) 6.709 46.664 ( 0.924 0.000 2.514) 2.678 47.014 ( 2.682 0.000 -3.253) 4.216 88.900 ( -6.850 -0.000 -2.502) 7.292 89.011 ( -13.446 -0.000 3.392) 13.867 89.821 ( 5.329 0.000 -1.672) 5.585 90.590 ( -5.152 -0.000 1.463) 5.356 ======================= Grid point 252 (122/196) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 5.773 11.599 2.218) 13.145 2.531 ( -3.203 2.649 9.584) 10.446 2.635 ( 3.982 -7.138 3.994) 9.097 2.780 ( -4.903 4.294 2.893) 7.130 2.976 ( -0.993 -5.466 -0.726) 5.603 3.522 ( -3.313 7.809 2.356) 8.803 3.599 ( -3.310 1.896 -2.949) 4.821 3.863 ( 1.615 -4.605 0.483) 4.904 4.062 ( -5.784 5.659 -4.170) 9.103 4.217 ( 7.135 3.309 -5.350) 9.512 4.637 ( 4.598 3.094 4.334) 7.036 4.974 ( -2.927 7.433 -2.277) 8.306 5.225 ( 3.331 -10.555 -5.097) 12.185 5.487 ( 4.591 -4.194 -5.615) 8.378 6.198 ( -3.665 3.199 12.637) 13.541 6.827 ( -0.317 -2.912 2.315) 3.733 7.235 ( 3.220 2.636 -8.574) 9.531 7.346 ( 2.981 0.086 -7.568) 8.135 7.925 ( -2.771 0.233 5.419) 6.091 8.232 ( 3.870 -1.187 2.560) 4.790 8.406 ( 1.234 0.692 -0.817) 1.634 8.480 ( 3.614 0.409 -6.463) 7.416 8.758 ( -4.448 3.576 0.785) 5.761 9.007 ( 8.636 0.174 1.584) 8.782 9.301 ( -1.138 1.497 3.199) 3.711 9.422 ( -5.482 -1.199 -4.916) 7.460 11.563 ( 9.182 0.593 -2.983) 9.672 11.887 ( -10.181 0.749 -1.342) 10.296 12.016 ( 10.526 0.152 -0.209) 10.529 12.211 ( -10.770 -0.620 5.881) 12.287 12.659 ( -12.152 -1.493 4.390) 13.006 12.920 ( 8.746 -2.006 -8.778) 12.553 13.522 ( 0.404 0.126 3.076) 3.105 13.971 ( -10.351 0.187 0.481) 10.364 22.632 ( 5.250 -0.292 -2.314) 5.744 22.655 ( -0.153 -0.575 0.775) 0.977 23.557 ( -5.310 1.873 -0.983) 5.716 23.622 ( 5.954 1.443 4.814) 7.791 23.677 ( 0.195 -2.788 -0.885) 2.931 24.011 ( -8.056 -0.166 3.270) 8.695 25.409 ( 0.565 3.089 1.602) 3.525 25.741 ( 5.867 1.468 -6.676) 9.008 25.786 ( 2.161 -0.084 1.260) 2.503 26.223 ( -10.232 -2.309 -2.438) 10.769 29.204 ( 0.220 -0.612 6.137) 6.171 29.433 ( 3.718 0.055 0.146) 3.721 29.857 ( -1.479 -0.116 3.358) 3.672 30.284 ( -0.913 0.852 -7.394) 7.499 46.688 ( 0.191 0.748 2.848) 2.951 47.010 ( 1.355 1.190 -3.919) 4.314 88.818 ( -2.170 0.015 -1.524) 2.652 88.852 ( -10.555 -0.016 2.073) 10.756 89.897 ( 6.356 1.795 1.748) 6.832 90.497 ( -5.945 0.862 -2.812) 6.633 ======================= Grid point 253 (123/196) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -1.248 13.534 7.696) 15.619 2.488 ( -2.512 5.984 10.590) 12.421 2.696 ( 1.489 2.530 -2.944) 4.157 2.862 ( 8.247 -3.917 2.545) 9.478 3.090 ( 7.240 -4.053 2.781) 8.751 3.389 ( -10.187 3.811 6.200) 12.519 3.499 ( -3.243 2.442 -4.164) 5.815 3.809 ( -1.641 13.445 -7.420) 15.444 3.966 ( -0.637 -5.059 1.435) 5.297 4.259 ( 13.467 6.582 -8.925) 17.446 4.646 ( -3.297 6.523 8.693) 11.358 4.812 ( -5.284 3.454 2.345) 6.735 5.361 ( 2.101 -3.364 -5.390) 6.692 5.554 ( 4.429 -8.140 -9.549) 13.306 6.177 ( -5.274 3.221 11.581) 13.126 6.835 ( -2.649 -2.222 -2.471) 4.249 7.161 ( -1.909 2.585 -5.711) 6.553 7.353 ( 4.717 -0.164 -5.558) 7.292 7.949 ( 0.799 0.542 5.099) 5.189 8.299 ( -4.685 -1.289 4.537) 6.648 8.339 ( -0.813 3.376 -0.846) 3.574 8.395 ( -3.619 0.722 -5.979) 7.026 8.795 ( 10.396 3.287 1.872) 11.063 9.166 ( 5.641 2.661 -6.175) 8.777 9.239 ( 3.552 0.836 2.184) 4.253 9.324 ( -7.883 -1.899 -1.078) 8.180 11.610 ( -2.206 1.522 -0.599) 2.746 11.732 ( -5.661 -0.511 -2.436) 6.184 12.121 ( -5.996 0.583 3.974) 7.217 12.173 ( 10.297 -0.227 0.802) 10.330 12.564 ( -9.825 -4.103 4.156) 11.429 13.014 ( 8.091 -1.991 -7.589) 11.270 13.590 ( 5.627 0.971 5.074) 7.639 13.841 ( -6.181 -0.444 -1.630) 6.408 22.637 ( -3.737 -0.874 -0.068) 3.838 22.688 ( 3.294 -0.675 -1.548) 3.702 23.491 ( -1.897 0.440 2.090) 2.857 23.675 ( -0.174 -3.281 -1.903) 3.797 23.779 ( 8.871 2.226 5.107) 10.475 23.911 ( -6.447 1.278 1.342) 6.708 25.358 ( -1.390 6.706 2.109) 7.166 25.734 ( 5.443 3.364 -9.075) 11.104 25.860 ( 3.480 -1.939 3.354) 5.207 26.101 ( -8.730 -3.946 -2.738) 9.964 29.259 ( -0.208 -1.038 5.842) 5.937 29.510 ( 5.919 -0.538 1.119) 6.048 29.863 ( -1.136 0.072 3.396) 3.581 30.201 ( -1.098 1.256 -7.806) 7.982 46.691 ( -0.744 1.679 3.263) 3.744 46.970 ( 0.209 2.126 -4.277) 4.781 88.749 ( -4.628 0.150 1.204) 4.785 88.822 ( 4.054 0.089 -0.659) 4.108 89.975 ( 5.933 4.552 4.605) 8.783 90.367 ( -4.980 1.148 -6.353) 8.153 ======================= Grid point 254 (124/196) ======================= q-point: (-0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 2.180 11.874 7.833) 14.391 2.467 ( 4.186 9.123 5.784) 11.585 2.676 ( 1.041 2.381 -2.946) 3.928 3.026 ( 7.983 -0.331 3.220) 8.614 3.125 ( -5.642 13.663 7.284) 16.479 3.273 ( -9.342 -4.017 -3.916) 10.897 3.457 ( 1.305 -5.932 3.816) 7.173 3.548 ( 0.653 15.483 -7.716) 17.311 4.050 ( 1.912 -3.291 -0.159) 3.809 4.315 ( 19.448 10.216 -11.222) 24.669 4.518 ( -10.851 3.342 10.222) 15.278 4.814 ( 1.623 2.492 8.537) 9.040 5.246 ( -9.483 0.922 -8.002) 12.442 5.695 ( 7.896 -6.972 -6.899) 12.592 6.143 ( -5.927 0.713 8.651) 10.511 6.775 ( -1.535 2.178 -6.939) 7.433 7.040 ( -7.535 0.674 -0.810) 7.608 7.403 ( 4.762 -0.642 -2.867) 5.596 7.982 ( 0.263 1.222 3.104) 3.346 8.188 ( -5.793 0.805 0.916) 5.920 8.313 ( -1.282 1.727 -1.783) 2.794 8.381 ( 2.042 -1.841 -0.667) 2.829 8.859 ( 1.764 7.279 -1.048) 7.563 9.080 ( 1.441 2.380 -0.906) 2.926 9.213 ( -7.069 -1.785 -2.040) 7.571 9.410 ( 10.433 -0.184 -0.081) 10.434 11.461 ( -8.998 2.733 -1.997) 9.613 11.711 ( -4.949 -4.263 2.053) 6.847 12.086 ( 1.226 2.198 1.359) 2.860 12.324 ( 8.316 -0.169 1.784) 8.507 12.540 ( -3.808 -5.051 1.930) 6.613 13.076 ( 3.457 -1.326 -4.289) 5.666 13.714 ( 7.663 1.935 4.878) 9.288 13.810 ( 3.249 -1.887 -2.990) 4.802 22.575 ( -5.917 -1.126 -0.230) 6.028 22.718 ( 0.039 -1.242 -0.535) 1.353 23.519 ( 0.774 -1.409 4.429) 4.711 23.682 ( -2.145 -2.571 -3.269) 4.679 23.793 ( -1.655 2.608 -0.083) 3.090 23.961 ( 11.258 2.184 4.344) 12.263 25.244 ( -3.283 8.448 2.607) 9.431 25.697 ( 5.918 4.525 -10.340) 12.744 25.883 ( -7.293 -0.265 1.988) 7.564 26.117 ( 4.554 -6.990 0.915) 8.393 29.300 ( -1.079 -0.956 4.366) 4.598 29.628 ( 7.521 -1.599 -0.459) 7.702 29.872 ( -0.833 0.375 4.204) 4.302 30.116 ( -1.159 0.769 -7.051) 7.187 46.673 ( -1.565 2.472 3.601) 4.639 46.908 ( -0.351 2.495 -4.183) 4.883 88.738 ( 2.399 -0.163 0.471) 2.451 88.927 ( 10.379 -0.192 0.093) 10.382 89.988 ( 0.318 7.778 4.376) 8.930 90.270 ( 1.492 1.244 -6.320) 6.612 ======================= Grid point 255 (125/196) ======================= q-point: (-0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 5.052 9.520 5.309) 12.014 2.452 ( 6.344 15.484 2.912) 16.985 2.531 ( -8.897 5.647 -4.091) 11.304 2.937 ( -3.957 8.330 4.184) 10.127 3.086 ( -7.771 2.667 -6.098) 10.232 3.135 ( 2.432 2.614 5.454) 6.518 3.393 ( 6.337 7.542 -3.450) 10.438 3.634 ( 2.301 -6.978 3.258) 8.038 4.051 ( 0.320 0.896 -4.043) 4.154 4.372 ( 6.462 8.824 -2.230) 11.162 4.521 ( 9.593 -0.206 2.034) 9.808 4.830 ( -0.320 6.932 6.434) 9.464 5.080 ( -7.785 -4.129 0.704) 8.840 5.826 ( 7.563 -1.371 -2.909) 8.218 6.114 ( -5.882 -3.082 3.448) 7.482 6.612 ( -3.566 6.750 -11.617) 13.901 6.969 ( -5.513 -2.536 5.100) 7.926 7.435 ( 0.473 1.065 0.002) 1.165 7.971 ( -0.595 1.750 1.617) 2.455 8.142 ( -3.699 -2.744 -0.487) 4.631 8.288 ( 2.331 2.040 -1.172) 3.312 8.414 ( -0.871 -2.585 -0.297) 2.744 8.726 ( 0.690 9.657 -3.028) 10.144 9.005 ( -10.737 -1.331 1.448) 10.916 9.239 ( 6.754 -0.165 0.188) 6.758 9.506 ( 3.719 0.616 -1.457) 4.041 11.300 ( -6.040 1.747 -4.035) 7.471 11.692 ( -8.849 -5.174 4.792) 11.315 12.119 ( 5.224 1.767 0.489) 5.536 12.417 ( 3.432 1.553 2.491) 4.516 12.629 ( 6.769 -5.601 -1.497) 8.913 13.101 ( 1.149 -0.951 -0.871) 1.728 13.817 ( 6.996 -0.026 -0.246) 7.001 13.923 ( 9.083 0.123 1.095) 9.150 22.504 ( -5.824 -1.598 0.239) 6.044 22.709 ( -3.532 -1.477 0.340) 3.844 23.542 ( -3.145 0.671 1.383) 3.500 23.682 ( 3.524 -1.308 -0.514) 3.794 23.789 ( 2.973 -0.805 -1.507) 3.429 24.126 ( 10.235 2.219 3.555) 11.059 25.113 ( -3.618 7.225 3.511) 8.810 25.650 ( 6.281 5.432 -10.673) 13.523 25.764 ( -8.439 0.447 0.706) 8.481 26.324 ( 7.433 -7.053 4.346) 11.130 29.309 ( -2.103 -0.475 2.164) 3.054 29.716 ( 5.018 -0.057 -6.721) 8.388 29.898 ( 0.215 0.595 4.829) 4.870 30.077 ( 0.523 -2.924 -2.513) 3.891 46.640 ( -1.982 2.853 3.684) 5.063 46.847 ( -0.046 2.130 -3.586) 4.172 88.831 ( 8.497 -1.711 -0.088) 8.668 89.116 ( 13.723 -0.791 0.370) 13.750 89.867 ( -4.820 6.916 0.031) 8.430 90.286 ( 8.279 4.867 -1.551) 9.729 ======================= Grid point 256 (126/196) ======================= q-point: (-0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 1.232 12.717 0.279) 12.779 2.238 ( -3.148 8.628 3.131) 9.704 2.418 ( -3.882 5.465 -0.599) 6.730 2.809 ( -2.351 4.639 -8.192) 9.704 2.929 ( -3.542 3.453 2.754) 5.662 3.187 ( 9.050 4.181 -1.024) 10.022 3.465 ( 5.804 -2.476 0.780) 6.358 3.690 ( -0.868 -0.887 -1.412) 1.880 4.060 ( 1.721 -2.381 0.540) 2.987 4.308 ( -2.402 6.638 3.203) 7.752 4.556 ( 4.402 7.535 -7.184) 11.304 4.930 ( 15.802 1.281 4.081) 16.370 5.103 ( -4.537 -4.882 9.878) 11.916 5.893 ( 3.106 4.529 4.651) 7.197 6.091 ( -0.700 -1.652 -7.749) 7.954 6.415 ( -3.765 -0.617 -9.549) 10.283 6.978 ( -3.603 -0.357 6.834) 7.734 7.392 ( -2.965 3.542 3.950) 6.078 7.956 ( 0.796 2.949 0.265) 3.066 8.106 ( -7.141 -4.725 -0.754) 8.596 8.305 ( 3.882 1.962 -0.430) 4.371 8.419 ( -2.524 -2.634 0.493) 3.681 8.641 ( 4.951 8.447 -1.242) 9.870 8.905 ( -7.567 -5.553 -1.727) 9.544 9.325 ( 3.048 0.207 2.642) 4.039 9.493 ( -1.023 1.218 -2.823) 3.241 11.187 ( -2.852 0.566 -5.231) 5.985 11.657 ( -8.974 -5.019 4.690) 11.301 12.183 ( 4.567 0.926 0.995) 4.765 12.447 ( 3.385 3.238 1.611) 4.954 12.817 ( 10.738 -5.660 -3.183) 12.549 13.121 ( 0.211 -0.398 0.305) 0.544 13.924 ( 7.068 0.208 1.049) 7.149 14.040 ( 6.607 1.183 1.079) 6.798 22.455 ( -4.353 -2.022 0.768) 4.861 22.659 ( -5.557 -0.695 0.752) 5.650 23.495 ( -0.454 1.786 -0.242) 1.858 23.724 ( 2.036 0.022 -3.275) 3.856 23.891 ( 5.527 -4.396 1.368) 7.193 24.229 ( 5.681 3.816 2.184) 7.184 25.040 ( -1.693 2.290 5.002) 5.756 25.578 ( 2.222 5.835 -7.263) 9.578 25.675 ( -1.154 0.737 -2.719) 3.045 26.536 ( 5.331 -5.145 6.410) 9.797 29.281 ( -2.830 0.244 -0.203) 2.847 29.682 ( 1.319 1.885 -10.009) 10.270 29.901 ( -0.601 2.065 2.629) 3.397 30.180 ( 3.159 -7.667 1.183) 8.376 46.603 ( -1.789 2.648 3.454) 4.705 46.811 ( 1.066 1.108 -2.677) 3.087 89.015 ( 11.359 -4.458 -0.907) 12.237 89.313 ( 10.013 -0.465 0.981) 10.072 89.724 ( -3.514 4.087 -1.625) 5.630 90.342 ( 10.424 8.086 0.857) 13.220 ======================= Grid point 262 (127/196) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -12.292 0.000 13.338) 18.138 2.499 ( 6.253 -0.000 2.549) 6.753 2.743 ( -1.343 -0.000 2.759) 3.068 2.810 ( 9.502 -0.000 7.379) 12.031 2.963 ( 7.116 -0.000 -6.224) 9.454 3.431 ( -5.082 -0.000 -7.958) 9.442 3.631 ( -3.072 0.000 8.504) 9.041 3.830 ( -3.402 -0.000 4.385) 5.550 3.979 ( -4.730 -0.000 -7.681) 9.021 4.354 ( 15.916 0.000 -11.129) 19.421 4.741 ( 1.611 -0.000 5.800) 6.020 4.867 ( -13.768 -0.000 1.017) 13.806 5.289 ( 14.498 -0.000 -5.155) 15.387 5.449 ( -0.607 -0.000 -7.560) 7.584 6.240 ( -6.225 -0.000 14.099) 15.412 6.785 ( -3.869 0.000 0.593) 3.914 7.204 ( -1.263 -0.000 -7.456) 7.563 7.342 ( 4.311 -0.000 -8.252) 9.311 7.958 ( 0.978 -0.000 5.588) 5.673 8.272 ( -2.637 -0.000 5.268) 5.891 8.395 ( -4.546 0.000 -7.907) 9.121 8.400 ( -2.079 -0.000 0.166) 2.086 8.844 ( 10.268 -0.000 2.006) 10.462 9.193 ( 14.643 -0.000 -3.820) 15.133 9.274 ( -7.408 0.000 -2.226) 7.735 9.286 ( -5.136 -0.000 1.587) 5.376 11.626 ( 0.514 0.000 -0.979) 1.105 11.726 ( -10.367 -0.000 -2.404) 10.642 12.129 ( -4.366 -0.000 3.939) 5.880 12.173 ( 10.273 -0.000 0.843) 10.308 12.508 ( -10.443 -0.000 4.033) 11.195 12.987 ( 9.378 -0.000 -8.535) 12.680 13.602 ( 6.136 -0.000 5.158) 8.016 13.835 ( -7.429 -0.000 -0.934) 7.488 22.626 ( -3.557 -0.000 -0.062) 3.557 22.680 ( 3.323 -0.000 -1.711) 3.738 23.502 ( -3.350 -0.000 1.264) 3.581 23.628 ( -0.481 -0.000 -1.801) 1.864 23.808 ( 10.269 -0.000 5.363) 11.586 23.926 ( -6.223 -0.000 1.588) 6.422 25.451 ( 0.375 -0.000 1.589) 1.633 25.777 ( 4.843 0.000 -7.623) 9.031 25.834 ( 3.052 -0.000 2.871) 4.190 26.045 ( -9.353 0.000 -3.194) 9.883 29.246 ( -0.203 -0.000 6.266) 6.270 29.504 ( 5.388 -0.000 1.153) 5.510 29.864 ( -0.868 -0.000 3.557) 3.661 30.217 ( -1.039 -0.000 -8.670) 8.732 46.712 ( -0.592 -0.000 3.272) 3.325 46.997 ( 0.045 -0.000 -4.399) 4.399 88.751 ( -4.609 -0.000 1.156) 4.752 88.824 ( 4.018 -0.000 -0.632) 4.068 90.034 ( 7.871 -0.000 4.179) 8.911 90.380 ( -6.615 -0.000 -5.435) 8.562 ======================= Grid point 264 (128/196) ======================= q-point: (-0.40 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -2.065 7.971 8.672) 11.958 2.588 ( 0.412 1.429 5.901) 6.086 2.700 ( -0.998 0.635 -0.668) 1.358 2.981 ( 5.476 -1.336 -1.923) 5.956 3.102 ( 4.273 -7.753 4.871) 10.104 3.343 ( 4.863 1.796 -7.619) 9.215 3.544 ( -6.068 12.860 5.645) 15.299 3.821 ( -3.844 5.467 -7.441) 10.002 3.885 ( -2.271 -9.362 5.336) 11.012 4.506 ( 20.005 4.374 -11.723) 23.596 4.639 ( -12.909 5.172 4.458) 14.604 4.807 ( -1.045 -2.302 5.348) 5.916 5.305 ( -5.784 3.319 -8.553) 10.845 5.492 ( 8.548 -7.039 -5.522) 12.374 6.233 ( -5.270 3.687 14.436) 15.804 6.744 ( -4.342 -2.401 1.614) 5.218 7.096 ( -4.710 2.451 -6.411) 8.324 7.357 ( 3.595 -2.113 -7.010) 8.157 8.004 ( 0.489 0.534 3.287) 3.365 8.172 ( -10.981 -0.865 1.256) 11.086 8.363 ( 1.884 0.661 -3.140) 3.721 8.369 ( 0.513 0.901 -0.036) 1.037 9.011 ( 9.806 4.273 1.022) 10.745 9.126 ( -1.823 0.105 -3.779) 4.197 9.192 ( -8.332 0.400 0.292) 8.347 9.402 ( 11.075 -0.324 -0.560) 11.094 11.528 ( -9.370 2.921 -1.226) 9.891 11.611 ( -7.552 -3.747 0.781) 8.467 12.128 ( 1.076 0.956 2.417) 2.813 12.322 ( 9.148 0.014 1.271) 9.236 12.439 ( -3.611 -2.535 1.863) 4.789 13.046 ( 5.015 -0.830 -6.145) 7.975 13.750 ( 4.895 1.008 2.339) 5.518 13.774 ( 4.364 -1.021 1.021) 4.597 22.557 ( -5.696 -0.350 -0.400) 5.720 22.698 ( -0.012 -0.398 -0.856) 0.944 23.493 ( -0.483 -0.539 3.341) 3.419 23.626 ( 0.898 -1.370 -2.218) 2.757 23.845 ( -4.192 1.244 -0.256) 4.381 23.999 ( 11.264 0.733 4.433) 12.127 25.426 ( -1.434 5.135 1.867) 5.649 25.774 ( 4.559 1.648 -9.039) 10.257 25.886 ( -5.182 0.644 0.261) 5.229 25.958 ( 2.161 -5.099 2.055) 5.907 29.283 ( -0.760 -0.375 5.057) 5.127 29.604 ( 6.911 -0.413 0.943) 6.988 29.881 ( -0.482 0.259 4.147) 4.183 30.133 ( -1.210 0.406 -9.358) 9.445 46.716 ( -1.579 0.935 3.737) 4.163 46.951 ( -0.942 0.920 -4.512) 4.700 88.737 ( 1.821 0.023 0.463) 1.879 88.924 ( 9.851 -0.037 0.200) 9.853 90.153 ( 3.622 5.351 3.229) 7.223 90.259 ( -1.108 -2.060 -4.463) 5.039 ======================= Grid point 265 (129/196) ======================= q-point: (-0.30 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 2.831 9.376 3.536) 10.413 2.529 ( -5.749 1.493 -1.026) 6.027 2.734 ( 1.791 0.151 2.134) 2.790 2.989 ( -6.977 -6.406 -3.655) 10.152 3.199 ( -1.452 7.405 2.936) 8.097 3.270 ( -2.368 12.485 -0.829) 12.734 3.473 ( 10.023 -3.746 2.296) 10.943 3.647 ( -2.790 8.894 -2.485) 9.647 4.002 ( -0.158 -6.354 -0.154) 6.358 4.443 ( -11.937 1.891 6.872) 13.903 4.668 ( 23.113 7.233 -10.230) 26.290 4.881 ( -0.532 -3.919 7.944) 8.874 5.062 ( -10.996 3.675 -9.317) 14.873 5.655 ( 6.111 -8.601 -5.180) 11.754 6.205 ( -4.173 6.905 14.452) 16.552 6.730 ( -1.237 0.520 -2.433) 2.778 6.935 ( -7.375 1.941 -1.207) 7.721 7.391 ( 1.518 -3.956 -5.013) 6.564 7.996 ( -2.705 0.472 1.291) 3.034 8.071 ( -6.095 -2.601 -0.279) 6.633 8.342 ( 1.634 1.991 -1.501) 2.981 8.391 ( 1.896 -0.172 -1.585) 2.477 8.945 ( -0.302 7.162 -2.361) 7.548 9.032 ( -10.609 2.871 1.887) 11.152 9.242 ( 9.677 0.227 1.172) 9.751 9.507 ( 3.665 -0.389 -1.605) 4.020 11.350 ( -7.900 2.551 -2.599) 8.699 11.560 ( -9.215 -5.369 3.427) 11.202 12.162 ( 3.410 1.459 2.085) 4.255 12.440 ( 5.121 0.434 1.571) 5.374 12.502 ( 6.381 -4.219 -0.601) 7.674 13.073 ( 2.132 -1.100 -2.628) 3.559 13.779 ( 4.418 -1.864 -4.310) 6.447 13.953 ( 10.874 1.434 6.114) 12.557 22.476 ( -5.692 -0.699 -0.126) 5.736 22.680 ( -2.940 -0.859 -0.043) 3.063 23.532 ( -0.270 -0.989 3.433) 3.583 23.652 ( 3.075 -1.048 -1.741) 3.686 23.782 ( -1.420 0.347 -2.004) 2.480 24.175 ( 10.670 1.375 3.519) 11.319 25.318 ( -3.327 8.607 2.378) 9.530 25.745 ( 4.565 2.263 -10.201) 11.403 25.781 ( -6.613 0.593 0.046) 6.640 26.142 ( 6.733 -7.002 5.458) 11.142 29.301 ( -1.341 -0.240 3.015) 3.309 29.713 ( 7.334 -0.108 -2.534) 7.760 29.906 ( -0.073 0.266 5.501) 5.508 30.047 ( -1.276 -0.205 -7.946) 8.051 46.698 ( -2.429 1.748 4.055) 5.039 46.889 ( -1.247 1.219 -4.184) 4.533 88.806 ( 6.828 -0.461 0.109) 6.844 89.103 ( 13.593 -0.265 0.657) 13.611 90.014 ( -6.624 4.600 -5.175) 9.583 90.374 ( 10.614 2.379 4.229) 11.670 ======================= Grid point 266 (130/196) ======================= q-point: (-0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -0.078 5.913 -2.759) 6.526 2.388 ( -10.463 2.913 -1.377) 10.948 2.644 ( -6.872 9.512 -1.443) 11.822 2.925 ( -3.871 0.168 -3.875) 5.480 2.987 ( -4.062 5.273 2.319) 7.049 3.250 ( 1.752 4.388 0.872) 4.804 3.522 ( 2.530 6.183 -1.577) 6.864 3.648 ( 4.452 -2.227 2.921) 5.772 4.014 ( -1.346 -1.682 -2.022) 2.955 4.354 ( -8.812 -1.830 6.302) 10.987 4.728 ( -3.106 3.828 -9.936) 11.092 4.952 ( 11.579 0.448 0.562) 11.601 4.999 ( 5.653 -1.972 5.785) 8.325 5.819 ( 6.145 -9.935 -5.121) 12.755 6.141 ( -5.909 8.356 13.424) 16.881 6.572 ( -1.780 9.440 -13.075) 16.225 6.914 ( -3.371 -4.091 8.717) 10.202 7.410 ( -1.492 -2.278 -1.254) 2.998 7.965 ( -2.200 -1.401 0.286) 2.624 8.027 ( -4.282 -2.395 -1.390) 5.099 8.347 ( 3.133 1.019 -1.597) 3.661 8.403 ( 1.421 0.509 -0.885) 1.750 8.846 ( -1.813 6.509 0.103) 6.757 8.860 ( -6.763 3.350 0.581) 7.570 9.349 ( 4.333 1.696 1.924) 5.035 9.507 ( -1.096 -0.187 -2.506) 2.741 11.210 ( -4.526 1.460 -4.141) 6.306 11.525 ( -8.938 -5.729 4.501) 11.531 12.214 ( 4.020 1.418 1.503) 4.520 12.501 ( 3.879 1.351 0.988) 4.225 12.682 ( 10.570 -5.143 -1.588) 11.862 13.105 ( 1.507 -0.873 -0.130) 1.746 13.860 ( 5.723 -3.747 -3.833) 7.841 14.112 ( 8.808 3.374 5.421) 10.879 22.416 ( -4.134 -1.173 0.395) 4.315 22.639 ( -4.149 -0.811 0.515) 4.259 23.534 ( -0.633 1.256 0.838) 1.637 23.714 ( 3.232 -0.764 -1.936) 3.844 23.783 ( 1.435 -3.591 -0.921) 3.975 24.315 ( 8.168 2.440 2.838) 8.985 25.173 ( -4.362 8.223 3.351) 9.893 25.680 ( -5.459 1.479 0.846) 5.719 25.716 ( 5.730 2.929 -10.541) 12.350 26.377 ( 6.634 -7.321 6.915) 12.059 29.291 ( -1.809 0.444 0.908) 2.072 29.741 ( 4.173 2.757 -9.425) 10.670 29.942 ( 0.129 1.037 2.335) 2.558 30.031 ( 0.953 -4.365 0.877) 4.553 46.664 ( -2.825 2.161 4.026) 5.372 46.833 ( -0.717 0.718 -3.441) 3.588 88.940 ( 9.243 -1.809 0.074) 9.419 89.310 ( 12.924 0.103 0.579) 12.938 89.823 ( -6.826 3.718 -4.961) 9.221 90.521 ( 12.092 6.359 4.437) 14.365 ======================= Grid point 267 (131/196) ======================= q-point: (-0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -13.606 -3.383 -5.230) 14.964 2.139 ( -3.582 10.199 -3.966) 11.514 2.446 ( -4.783 7.344 -0.080) 8.764 2.779 ( -5.688 7.194 0.077) 9.172 2.945 ( -1.086 0.287 1.955) 2.255 3.251 ( 4.555 -1.954 -8.320) 9.684 3.539 ( 3.361 0.263 2.096) 3.970 3.686 ( 1.315 1.770 -1.214) 2.517 4.043 ( 0.225 -3.752 2.520) 4.525 4.260 ( -9.896 0.296 2.138) 10.129 4.598 ( -4.621 -2.184 -3.355) 6.114 5.056 ( -2.408 -1.342 9.324) 9.723 5.246 ( 20.056 1.086 -0.919) 20.106 5.980 ( -2.021 0.534 2.388) 3.174 6.037 ( 0.424 -2.603 1.136) 2.871 6.362 ( 2.849 8.536 -12.024) 15.018 6.980 ( -2.465 -1.662 8.571) 9.072 7.388 ( -4.714 -0.070 4.372) 6.429 7.963 ( -3.017 -3.021 -0.719) 4.330 7.988 ( 0.475 1.159 -0.726) 1.448 8.373 ( 2.891 1.573 -0.713) 3.367 8.409 ( 0.868 0.497 0.375) 1.068 8.748 ( -4.813 -2.848 -0.741) 5.642 8.788 ( 2.241 6.172 -0.042) 6.567 9.337 ( -4.588 0.608 -0.068) 4.628 9.483 ( 1.576 1.421 -1.431) 2.559 11.127 ( -0.638 0.334 -5.376) 5.424 11.508 ( -6.972 -5.189 4.647) 9.855 12.255 ( 2.306 1.164 1.169) 2.835 12.536 ( 2.716 1.941 1.106) 3.517 12.889 ( 10.714 -4.785 -2.569) 12.012 13.115 ( -1.088 0.239 -0.162) 1.126 13.978 ( 5.435 -4.985 -1.161) 7.466 14.186 ( 3.959 5.990 4.208) 8.322 22.394 ( -1.784 -1.583 0.870) 2.539 22.592 ( -3.489 -0.059 0.669) 3.553 23.517 ( 0.459 1.581 0.161) 1.654 23.716 ( 0.141 -0.124 -3.433) 3.439 23.877 ( 2.075 -5.754 -0.760) 6.164 24.381 ( 4.207 5.056 2.910) 7.192 25.066 ( -3.835 3.154 4.788) 6.899 25.595 ( -2.633 3.094 0.116) 4.065 25.698 ( 5.942 1.966 -9.629) 11.485 26.592 ( 4.406 -5.127 7.786) 10.311 29.253 ( -1.953 1.323 -0.543) 2.420 29.658 ( 1.542 3.679 -11.981) 12.628 29.932 ( -0.673 1.446 1.869) 2.457 30.145 ( 2.047 -6.129 2.590) 6.962 46.626 ( -2.552 1.957 3.669) 4.879 46.807 ( 0.453 -0.410 -2.580) 2.651 89.105 ( 8.419 -3.455 -0.136) 9.101 89.433 ( 3.712 2.468 -0.284) 4.467 89.692 ( -1.626 0.821 -2.610) 3.183 90.617 ( 10.076 9.264 3.221) 14.061 ======================= Grid point 274 (132/196) ======================= q-point: (-0.40 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -0.168 -0.000 7.164) 7.166 2.589 ( -7.579 -0.000 0.799) 7.621 2.659 ( -3.651 -0.000 -0.027) 3.652 2.894 ( -0.853 -0.000 -7.856) 7.902 3.242 ( 6.995 0.000 6.945) 9.858 3.401 ( 6.797 0.000 -5.739) 8.896 3.645 ( -2.083 -0.000 -3.193) 3.812 3.747 ( -4.203 -0.000 3.623) 5.549 3.801 ( -0.587 -0.000 2.834) 2.894 4.495 ( -13.828 -0.000 2.926) 14.134 4.769 ( 22.784 0.000 -9.657) 24.746 4.794 ( -3.954 -0.000 6.524) 7.629 5.125 ( -10.376 -0.000 -13.023) 16.652 5.530 ( 4.775 0.000 -0.704) 4.827 6.316 ( -2.391 -0.000 15.401) 15.585 6.698 ( -3.150 -0.000 5.531) 6.365 7.003 ( -3.923 -0.000 -6.734) 7.793 7.314 ( 0.600 0.000 -7.707) 7.731 8.001 ( -3.342 -0.000 0.978) 3.482 8.036 ( -7.030 -0.000 0.474) 7.046 8.373 ( 0.838 0.000 -1.371) 1.607 8.384 ( 2.094 0.000 -2.844) 3.532 9.038 ( -2.774 -0.000 -1.860) 3.340 9.083 ( -8.537 -0.000 1.554) 8.677 9.244 ( 12.226 0.000 1.776) 12.354 9.499 ( 3.398 0.000 -1.800) 3.845 11.417 ( -7.683 -0.000 -2.519) 8.086 11.455 ( -10.444 -0.000 3.626) 11.056 12.181 ( 2.707 0.000 2.795) 3.891 12.440 ( 5.205 0.000 -0.807) 5.267 12.450 ( 6.940 0.000 1.524) 7.105 13.058 ( 2.711 0.000 -3.518) 4.441 13.755 ( 3.404 0.000 -4.423) 5.582 13.972 ( 11.429 0.000 6.754) 13.275 22.468 ( -5.677 -0.000 -0.237) 5.681 22.669 ( -2.853 -0.000 -0.154) 2.857 23.517 ( 0.596 0.000 3.942) 3.987 23.638 ( 3.372 0.000 -1.960) 3.900 23.790 ( -3.135 -0.000 -1.956) 3.696 24.191 ( 10.606 0.000 3.083) 11.045 25.453 ( -1.740 -0.000 1.816) 2.515 25.765 ( -2.395 -0.000 -6.315) 6.753 25.785 ( -0.418 -0.000 -4.556) 4.575 26.041 ( 6.087 0.000 6.855) 9.167 29.298 ( -1.075 -0.000 3.394) 3.560 29.712 ( 7.801 0.000 -0.499) 7.817 29.911 ( -0.354 -0.000 5.083) 5.095 30.046 ( -1.257 -0.000 -9.925) 10.004 46.720 ( -2.586 -0.000 4.198) 4.931 46.904 ( -1.707 -0.000 -4.412) 4.730 88.802 ( 6.407 0.000 0.115) 6.408 89.100 ( 13.551 0.000 0.846) 13.578 90.073 ( -7.544 -0.000 -8.172) 11.122 90.404 ( 12.068 0.000 7.434) 14.174 ======================= Grid point 275 (133/196) ======================= q-point: (-0.30 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -13.547 4.012 -5.146) 15.037 2.454 ( -4.703 1.850 5.138) 7.207 2.642 ( -4.870 -4.442 -2.092) 6.916 2.878 ( 1.559 -2.144 -4.892) 5.564 3.249 ( -4.177 9.437 -3.032) 10.757 3.382 ( -1.020 4.643 2.617) 5.426 3.614 ( 2.621 0.782 5.067) 5.758 3.690 ( 2.233 5.548 -2.062) 6.326 3.904 ( -0.610 -7.718 1.014) 7.808 4.314 ( -13.096 -0.222 4.160) 13.742 4.761 ( -9.348 1.128 -3.015) 9.887 4.879 ( -6.461 -4.184 -4.752) 9.046 5.048 ( 22.327 2.278 -4.547) 22.899 5.619 ( 3.951 -4.764 0.024) 6.189 6.339 ( -5.441 5.933 14.768) 16.819 6.724 ( 1.053 -0.626 0.423) 1.296 6.880 ( -3.536 4.343 -1.432) 5.781 7.300 ( 0.459 -5.170 -6.325) 8.182 7.941 ( -4.556 -0.371 -0.129) 4.573 7.977 ( -2.596 -1.265 -0.312) 2.904 8.367 ( 1.290 0.691 -2.798) 3.157 8.396 ( 1.620 -0.794 -2.232) 2.870 8.955 ( -8.446 3.617 3.282) 9.756 8.983 ( -2.056 2.683 -0.212) 3.387 9.397 ( 7.446 1.760 1.182) 7.742 9.487 ( -2.188 -1.096 -2.582) 3.557 11.269 ( -5.932 3.414 -1.692) 7.050 11.385 ( -8.495 -5.301 3.359) 10.562 12.242 ( 3.467 0.683 2.093) 4.107 12.528 ( 5.282 1.138 0.523) 5.429 12.578 ( 9.660 -3.096 -0.766) 10.173 13.085 ( 2.652 -0.536 -0.921) 2.858 13.788 ( 4.254 -1.628 -4.575) 6.456 14.173 ( 10.536 1.359 6.187) 12.294 22.397 ( -4.169 -0.382 0.171) 4.190 22.624 ( -3.519 -0.361 0.396) 3.559 23.554 ( 0.467 0.383 3.224) 3.280 23.686 ( 3.885 -1.079 -1.322) 4.244 23.737 ( -1.788 -0.460 -2.823) 3.373 24.347 ( 8.735 0.461 1.811) 8.933 25.387 ( -3.033 7.074 1.829) 7.911 25.683 ( -4.854 -0.835 -0.797) 4.990 25.765 ( 3.678 0.706 -8.967) 9.718 26.218 ( 6.669 -4.300 8.621) 11.717 29.299 ( -1.138 0.167 1.597) 1.968 29.800 ( 7.610 1.583 -7.113) 10.536 29.947 ( -0.133 -0.406 5.849) 5.864 29.969 ( -1.176 -0.869 -5.481) 5.673 46.702 ( -3.417 0.839 4.455) 5.676 46.845 ( -1.824 0.234 -3.964) 4.370 88.915 ( 8.384 -0.421 0.215) 8.398 89.313 ( 14.193 0.102 0.884) 14.221 89.891 ( -8.141 1.507 -7.587) 11.229 90.637 ( 14.440 2.664 7.244) 16.373 ======================= Grid point 276 (134/196) ======================= q-point: (-0.20 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -17.077 0.095 -6.466) 18.260 2.328 ( -14.116 2.952 2.635) 14.661 2.569 ( -1.799 2.828 -3.912) 5.152 2.883 ( -1.728 -0.935 -1.463) 2.449 3.036 ( -2.703 9.198 -1.649) 9.728 3.290 ( -4.623 4.897 -0.432) 6.748 3.588 ( -2.574 2.945 2.793) 4.806 3.737 ( 5.653 2.035 -0.473) 6.027 3.956 ( -0.821 -3.793 1.068) 4.026 4.203 ( -12.605 -4.782 5.312) 14.490 4.499 ( -13.142 -1.625 -9.547) 16.325 4.940 ( -1.420 -8.475 3.390) 9.238 5.307 ( 19.219 3.014 -0.363) 19.457 5.763 ( 5.404 -7.872 -0.917) 9.592 6.218 ( -11.842 8.155 11.555) 18.446 6.638 ( 5.826 11.321 -13.130) 18.289 6.888 ( -2.563 -4.178 10.567) 11.648 7.338 ( -1.014 -4.412 -1.468) 4.760 7.903 ( -1.155 -1.665 -1.006) 2.262 7.983 ( 1.978 -0.909 -0.346) 2.204 8.356 ( -0.285 -0.861 -2.969) 3.104 8.427 ( 3.094 -0.803 -0.990) 3.346 8.804 ( -7.370 5.528 3.765) 9.952 8.908 ( -3.089 3.208 0.207) 4.458 9.370 ( -4.347 1.573 -2.587) 5.297 9.508 ( 3.645 0.696 -0.180) 3.715 11.156 ( -2.212 2.313 -2.911) 4.326 11.375 ( -5.930 -5.568 4.147) 9.130 12.284 ( 1.825 1.032 1.514) 2.586 12.571 ( 2.248 1.142 0.847) 2.660 12.778 ( 12.115 -3.979 -1.920) 12.895 13.115 ( 0.513 -0.167 -0.039) 0.541 13.857 ( 4.271 -4.059 -2.775) 6.513 14.316 ( 7.546 4.039 4.823) 9.824 22.363 ( -1.805 -0.877 0.650) 2.109 22.587 ( -2.481 -0.256 0.641) 2.575 23.558 ( 0.116 1.699 1.119) 2.037 23.708 ( -1.025 -0.808 -2.656) 2.959 23.757 ( 2.442 -3.456 -0.285) 4.241 24.457 ( 6.305 1.313 1.047) 6.525 25.237 ( -4.947 9.398 2.538) 10.919 25.628 ( -3.918 -0.332 0.718) 3.997 25.745 ( 4.860 1.400 -10.042) 11.243 26.447 ( 6.424 -5.862 9.763) 13.075 29.283 ( -1.076 0.957 0.268) 1.464 29.760 ( 3.985 4.090 -14.777) 15.842 29.947 ( -0.636 -0.051 1.105) 1.276 30.031 ( 1.621 -3.179 5.230) 6.331 46.667 ( -3.746 1.301 4.293) 5.844 46.796 ( -1.234 -0.399 -3.206) 3.458 89.050 ( 8.009 -1.281 0.602) 8.133 89.486 ( 8.609 1.628 -0.908) 8.809 89.715 ( -5.770 0.913 -4.526) 7.390 90.834 ( 14.085 7.582 5.103) 16.790 ======================= Grid point 277 (135/196) ======================= q-point: (-0.10 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -17.708 -3.997 -4.129) 18.617 2.064 ( -14.200 2.203 -1.732) 14.474 2.482 ( -1.090 6.952 -0.814) 7.084 2.799 ( -5.608 5.684 3.587) 8.754 2.931 ( -3.324 0.837 0.956) 3.559 3.201 ( 1.922 -1.595 -10.326) 10.624 3.553 ( -3.113 -1.288 2.339) 4.102 3.752 ( 2.444 3.610 -0.373) 4.375 4.002 ( -3.677 -4.026 2.264) 5.904 4.102 ( -9.709 -3.179 2.509) 10.520 4.345 ( -12.860 -10.129 -2.975) 16.638 5.038 ( -1.726 -6.361 3.217) 7.334 5.507 ( 11.633 2.235 1.905) 11.998 5.895 ( -4.938 -3.527 -2.163) 6.442 6.053 ( -1.178 0.674 6.842) 6.975 6.508 ( 8.757 12.403 -11.755) 19.201 6.978 ( -1.584 -3.458 8.171) 9.013 7.327 ( -6.372 -0.870 4.513) 7.856 7.937 ( 3.658 -1.721 -2.106) 4.559 8.051 ( 7.108 1.201 0.612) 7.235 8.334 ( -3.142 -2.683 -1.953) 4.570 8.478 ( 3.679 1.374 0.567) 3.968 8.692 ( -2.974 1.961 1.594) 3.903 8.829 ( -3.641 1.076 -0.440) 3.822 9.261 ( -4.094 2.144 -2.838) 5.423 9.533 ( 2.148 1.622 -0.103) 2.694 11.109 ( 2.102 1.006 -4.456) 5.028 11.409 ( -2.695 -4.852 4.989) 7.463 12.289 ( -0.777 1.056 1.169) 1.757 12.582 ( 0.019 0.785 0.920) 1.210 12.971 ( 9.655 -3.121 -2.345) 10.415 13.088 ( -2.913 0.765 -1.101) 3.207 13.966 ( 3.082 -5.830 -0.051) 6.594 14.344 ( 2.174 8.034 2.799) 8.781 22.378 ( 1.024 -1.326 1.189) 2.055 22.568 ( -0.658 0.308 0.514) 0.890 23.543 ( -0.079 1.612 0.280) 1.638 23.679 ( -1.816 -0.383 -1.767) 2.563 23.821 ( -0.067 -4.317 -1.054) 4.444 24.503 ( 3.059 3.917 0.760) 5.027 25.082 ( -5.858 5.445 4.175) 9.022 25.581 ( -2.770 0.426 -0.265) 2.815 25.734 ( 5.789 1.348 -9.569) 11.264 26.662 ( 4.478 -3.576 9.721) 11.284 29.250 ( -0.872 1.943 -0.155) 2.135 29.638 ( 1.711 4.518 -15.030) 15.787 29.946 ( -0.737 0.641 2.131) 2.345 30.126 ( 0.788 -4.018 3.307) 5.263 46.628 ( -3.396 1.112 3.831) 5.239 46.778 ( -0.122 -1.639 -2.502) 2.994 89.173 ( 4.926 -1.617 0.607) 5.220 89.438 ( -5.041 2.090 -3.648) 6.564 89.704 ( 3.321 0.796 0.241) 3.423 90.899 ( 7.923 12.582 1.193) 14.917 ======================= Grid point 285 (136/196) ======================= q-point: (-0.30 -0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -19.376 -0.000 -6.700) 20.501 2.331 ( -18.259 -0.000 8.293) 20.054 2.609 ( 4.840 0.000 -7.040) 8.543 2.847 ( -0.415 -0.000 -2.800) 2.830 3.239 ( -3.917 -0.000 -4.822) 6.212 3.339 ( -8.866 -0.000 3.071) 9.382 3.633 ( -5.012 -0.000 4.906) 7.014 3.780 ( 4.440 0.000 -2.251) 4.978 3.870 ( 1.223 0.000 4.500) 4.663 4.121 ( -15.579 -0.000 2.990) 15.864 4.550 ( -14.021 -0.000 -13.692) 19.597 4.752 ( -2.685 -0.000 3.252) 4.217 5.352 ( 18.810 0.000 -0.261) 18.811 5.662 ( 4.735 0.000 1.402) 4.939 6.340 ( -13.547 -0.000 12.284) 18.287 6.746 ( 4.148 0.000 -3.313) 5.309 6.899 ( -0.084 -0.000 2.525) 2.527 7.235 ( 2.320 0.000 -5.642) 6.100 7.884 ( -1.564 -0.000 -0.954) 1.832 7.969 ( 2.628 0.000 0.284) 2.643 8.346 ( -1.092 -0.000 -3.866) 4.017 8.411 ( 2.962 0.000 -0.564) 3.015 8.892 ( -7.865 -0.000 4.330) 8.979 8.943 ( -5.611 -0.000 0.076) 5.611 9.391 ( -4.498 -0.000 -3.906) 5.957 9.518 ( 5.263 0.000 0.638) 5.302 11.237 ( -1.329 -0.000 -3.968) 4.185 11.252 ( -7.014 -0.000 6.364) 9.471 12.298 ( 1.529 0.000 1.756) 2.328 12.590 ( 1.340 0.000 1.072) 1.716 12.720 ( 13.499 0.000 -2.006) 13.648 13.112 ( 1.340 0.000 -0.139) 1.347 13.804 ( 3.627 0.000 -3.225) 4.853 14.367 ( 9.055 0.000 4.943) 10.316 22.352 ( -1.867 -0.000 0.547) 1.946 22.583 ( -2.115 -0.000 0.629) 2.207 23.588 ( 0.028 0.000 3.197) 3.197 23.676 ( -1.310 -0.000 -2.610) 2.920 23.727 ( 2.332 0.000 -1.537) 2.793 24.469 ( 6.675 0.000 0.461) 6.691 25.400 ( -3.422 -0.000 -0.007) 3.422 25.602 ( -5.189 -0.000 1.060) 5.296 25.759 ( 4.360 0.000 -9.459) 10.415 26.362 ( 6.915 0.000 11.345) 13.286 29.295 ( -0.661 -0.000 0.591) 0.887 29.819 ( 5.099 0.000 -18.258) 18.957 29.956 ( 2.016 0.000 2.445) 3.169 29.978 ( -1.072 -0.000 6.795) 6.879 46.684 ( -4.201 -0.000 4.659) 6.273 46.791 ( -1.878 -0.000 -3.561) 4.026 89.035 ( 7.853 0.000 0.744) 7.888 89.507 ( 10.536 0.000 -0.794) 10.565 89.728 ( -7.430 -0.000 -5.635) 9.325 90.937 ( 16.980 0.000 6.066) 18.031 ======================= Grid point 286 (137/196) ======================= q-point: (-0.20 -0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -19.922 -0.037 -3.548) 20.236 2.081 ( -23.838 -0.397 7.228) 24.913 2.615 ( 5.067 3.578 -6.424) 8.930 2.823 ( -4.198 -1.990 1.662) 4.934 3.066 ( -6.820 7.884 -1.864) 10.590 3.231 ( -6.923 0.624 -1.745) 7.166 3.545 ( -8.827 0.423 3.485) 9.500 3.813 ( -0.141 0.599 1.894) 1.992 3.915 ( -8.563 -2.321 3.202) 9.432 3.956 ( -7.874 -5.422 2.458) 9.871 4.243 ( -11.250 1.138 -12.067) 16.537 4.804 ( -1.719 -9.186 0.717) 9.373 5.569 ( 11.286 2.291 2.798) 11.851 5.751 ( 2.293 -4.277 -1.433) 5.060 6.172 ( -14.006 4.060 10.993) 18.262 6.764 ( 8.619 4.941 -12.754) 16.167 6.916 ( -1.197 1.149 10.534) 10.663 7.261 ( -0.601 -3.843 -1.668) 4.232 7.897 ( 4.139 -1.127 -3.194) 5.348 8.054 ( 7.550 -0.341 1.389) 7.685 8.296 ( -2.484 -0.552 -2.533) 3.591 8.473 ( 4.561 -0.457 1.373) 4.785 8.787 ( -6.830 3.286 3.166) 8.214 8.836 ( -7.814 -0.343 -1.690) 8.002 9.307 ( -2.199 1.137 -3.460) 4.255 9.567 ( 1.873 0.934 0.294) 2.114 11.167 ( 0.683 3.715 -1.336) 4.007 11.284 ( -1.545 -5.197 4.004) 6.740 12.309 ( -1.298 0.481 1.761) 2.240 12.595 ( -0.940 0.324 0.467) 1.098 12.907 ( 12.222 -1.625 -2.303) 12.542 13.101 ( -2.354 0.286 -0.928) 2.547 13.856 ( 3.177 -2.582 -0.868) 4.185 14.491 ( 6.295 3.329 2.539) 7.560 22.354 ( 0.964 -0.516 1.132) 1.574 22.571 ( -0.120 0.036 0.520) 0.535 23.586 ( -0.760 1.772 1.392) 2.378 23.656 ( -1.435 -1.569 -1.024) 2.360 23.747 ( 0.401 -1.363 -0.752) 1.608 24.549 ( 4.811 0.519 -0.512) 4.866 25.275 ( -6.116 7.448 -0.823) 9.672 25.553 ( -4.950 -2.326 0.479) 5.491 25.760 ( 5.346 0.602 -8.922) 10.418 26.574 ( 7.390 -2.607 13.031) 15.205 29.287 ( -0.196 0.853 0.179) 0.894 29.730 ( 3.395 2.107 -18.983) 19.399 29.973 ( -0.063 2.225 3.466) 4.119 30.046 ( 0.677 -3.076 3.929) 5.035 46.650 ( -4.481 0.518 4.438) 6.328 46.747 ( -1.363 -0.745 -2.965) 3.347 89.149 ( 6.191 -0.440 1.418) 6.367 89.474 ( -8.160 0.757 -5.995) 10.154 89.721 ( 6.569 0.454 0.484) 6.602 91.170 ( 15.482 7.203 1.093) 17.110 ======================= Grid point 287 (138/196) ======================= q-point: (-0.10 -0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -18.370 -2.269 4.613) 19.076 1.799 ( -21.091 -3.371 4.037) 21.737 2.556 ( -0.703 7.787 -1.943) 8.056 2.786 ( -6.645 -0.041 6.436) 9.251 2.874 ( -8.567 2.914 0.852) 9.089 3.132 ( 0.344 -1.540 -9.374) 9.505 3.450 ( -10.057 -3.149 3.649) 11.153 3.710 ( -18.919 -4.772 6.128) 20.451 3.860 ( -0.042 -2.617 -2.682) 3.748 3.989 ( -3.594 -5.621 1.849) 6.923 4.059 ( -7.294 -2.951 -6.498) 10.205 4.905 ( -1.687 -10.185 -0.755) 10.351 5.655 ( 0.051 0.699 1.709) 1.847 5.751 ( -4.234 -1.243 -0.243) 4.419 6.117 ( 1.515 0.316 8.222) 8.366 6.703 ( 8.966 10.438 -11.004) 17.619 6.981 ( -0.624 -2.177 7.033) 7.389 7.262 ( -4.378 -1.740 3.211) 5.701 7.942 ( 1.616 -2.535 -5.723) 6.464 8.190 ( 6.634 -0.800 1.899) 6.946 8.274 ( 1.691 1.020 0.408) 2.017 8.563 ( 5.876 0.998 2.217) 6.359 8.686 ( -3.582 0.216 -2.826) 4.568 8.718 ( -6.448 0.078 -0.781) 6.496 9.257 ( 0.825 2.401 -0.859) 2.681 9.561 ( -0.774 0.908 -0.338) 1.240 11.153 ( 4.807 2.473 -2.955) 6.161 11.384 ( 1.992 -4.815 5.624) 7.667 12.275 ( -3.938 0.760 1.529) 4.293 12.568 ( -2.899 -0.183 0.305) 2.921 13.020 ( -3.020 1.256 -2.256) 3.974 13.071 ( 7.003 -1.638 -2.290) 7.548 13.932 ( 0.569 -4.413 0.866) 4.533 14.477 ( 0.387 8.997 -1.020) 9.063 22.412 ( 4.208 -0.918 2.066) 4.777 22.584 ( 1.750 0.362 0.266) 1.806 23.553 ( -1.845 1.773 0.195) 2.567 23.642 ( -1.744 -0.295 0.352) 1.803 23.758 ( -1.979 -2.592 -0.200) 3.267 24.575 ( 1.761 2.800 -2.253) 4.002 25.073 ( -8.549 5.870 1.327) 10.455 25.508 ( -4.133 -2.441 -2.604) 5.460 25.773 ( 6.164 1.231 -7.341) 9.665 26.791 ( 6.159 0.057 11.966) 13.458 29.271 ( 0.205 1.956 0.554) 2.044 29.590 ( 0.834 3.697 -18.213) 18.603 29.966 ( -0.680 1.445 2.862) 3.278 30.106 ( -0.964 -3.009 2.903) 4.291 46.610 ( -4.113 0.373 3.901) 5.681 46.732 ( -0.362 -2.158 -2.481) 3.308 89.201 ( -3.026 1.812 -0.649) 3.586 89.339 ( -2.675 -2.746 -1.167) 4.007 89.777 ( 2.667 3.180 -0.572) 4.189 91.158 ( 4.618 16.878 -7.135) 18.897 ======================= Grid point 296 (139/196) ======================= q-point: (-0.20 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -18.604 -0.000 4.252) 19.084 1.761 ( -28.038 -0.000 10.142) 29.816 2.677 ( 3.998 0.000 -4.359) 5.915 2.733 ( -11.013 -0.000 8.231) 13.749 2.978 ( -10.737 -0.000 -1.767) 10.881 3.100 ( -5.619 -0.000 -5.504) 7.866 3.446 ( -8.063 -0.000 3.982) 8.992 3.577 ( -28.294 -0.000 9.742) 29.924 3.849 ( 0.287 0.000 -4.056) 4.066 3.921 ( -2.831 -0.000 0.499) 2.875 4.025 ( -5.779 -0.000 -11.263) 12.660 4.739 ( 0.789 0.000 -0.646) 1.020 5.648 ( -9.491 -0.000 -3.171) 10.007 5.742 ( 7.103 0.000 3.458) 7.900 6.145 ( -3.494 -0.000 12.001) 12.499 6.826 ( 7.166 0.000 -9.376) 11.801 6.985 ( -1.046 -0.000 8.573) 8.637 7.212 ( -1.365 -0.000 -1.451) 1.992 7.901 ( 0.879 0.000 -7.761) 7.811 8.175 ( 6.358 0.000 2.179) 6.721 8.294 ( 4.523 0.000 0.801) 4.593 8.574 ( 7.144 0.000 3.340) 7.886 8.677 ( -7.291 -0.000 -6.688) 9.894 8.738 ( -5.612 -0.000 2.513) 6.149 9.288 ( 0.852 0.000 -1.597) 1.810 9.576 ( -2.014 -0.000 0.323) 2.039 11.230 ( 5.840 0.000 -6.065) 8.419 11.277 ( 0.705 0.000 10.049) 10.074 12.285 ( -4.282 -0.000 2.082) 4.761 12.564 ( -3.291 -0.000 -0.190) 3.297 13.041 ( -4.318 -0.000 -2.143) 4.820 13.044 ( 9.752 0.000 -2.488) 10.064 13.873 ( 1.328 0.000 0.482) 1.412 14.597 ( 4.250 0.000 -2.012) 4.702 22.400 ( 4.338 0.000 2.238) 4.881 22.588 ( 1.876 0.000 0.254) 1.893 23.587 ( -2.718 -0.000 2.027) 3.391 23.626 ( -0.205 -0.000 -1.033) 1.053 23.725 ( -1.967 -0.000 0.701) 2.088 24.602 ( 3.242 0.000 -2.508) 4.099 25.191 ( -9.008 -0.000 -6.091) 10.874 25.454 ( -6.167 -0.000 0.428) 6.182 25.791 ( 6.240 0.000 -6.904) 9.306 26.788 ( 9.906 0.000 14.947) 17.931 29.298 ( 0.520 0.000 0.520) 0.735 29.641 ( 2.006 0.000 -20.848) 20.944 30.022 ( 0.756 0.000 -1.838) 1.987 30.036 ( -2.206 -0.000 7.592) 7.907 46.616 ( -4.799 -0.000 4.264) 6.420 46.703 ( -1.008 -0.000 -2.672) 2.856 89.240 ( 4.640 0.000 2.365) 5.208 89.289 ( -11.329 -0.000 -4.513) 12.195 89.817 ( 5.248 0.000 -0.924) 5.329 91.413 ( 12.900 0.000 -10.505) 16.636 ======================= Grid point 297 (140/196) ======================= q-point: (-0.10 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -16.250 -0.278 16.468) 23.137 1.453 ( -25.585 -4.999 9.647) 27.796 2.554 ( -17.790 4.229 7.648) 19.821 2.650 ( -16.526 -4.945 10.043) 19.960 2.819 ( -3.193 5.476 -2.101) 6.678 3.002 ( -3.552 -3.091 -9.007) 10.164 3.260 ( -15.765 -3.572 3.822) 16.610 3.416 ( -9.447 -5.376 5.203) 12.051 3.781 ( -3.195 -1.434 -6.033) 6.976 3.886 ( -3.882 -3.742 -2.694) 6.028 3.962 ( 1.036 -0.938 -0.145) 1.405 4.789 ( 1.432 -5.730 -2.549) 6.433 5.487 ( -10.551 -3.895 -2.400) 11.500 5.836 ( 5.045 2.782 2.429) 6.252 6.217 ( 2.251 0.849 9.550) 9.849 6.849 ( 7.305 3.644 -6.002) 10.133 7.004 ( -1.186 1.664 4.379) 4.832 7.197 ( -3.261 -2.950 1.968) 4.817 7.817 ( -6.564 -2.844 -6.153) 9.435 8.229 ( -1.799 1.768 2.549) 3.586 8.364 ( 3.596 -1.551 -6.421) 7.521 8.590 ( 3.107 1.752 -3.260) 4.832 8.668 ( 1.097 0.837 -1.940) 2.381 8.737 ( 6.317 0.093 6.635) 9.161 9.311 ( 3.755 0.891 0.355) 3.875 9.517 ( -5.566 -0.239 -0.411) 5.586 11.263 ( 8.106 3.603 -3.734) 9.624 11.425 ( 4.659 -4.550 8.288) 10.541 12.219 ( -6.145 0.402 1.944) 6.457 12.506 ( -4.846 -0.476 -0.046) 4.869 12.959 ( -3.135 0.781 -3.242) 4.577 13.146 ( 6.374 -0.326 -2.342) 6.798 13.888 ( -2.056 -1.910 0.699) 2.892 14.533 ( -3.588 7.588 -9.171) 12.432 22.517 ( 8.605 -0.060 4.020) 9.498 22.627 ( 3.359 0.164 0.342) 3.381 23.537 ( -3.946 2.096 1.157) 4.615 23.617 ( -1.218 -0.795 -1.330) 1.971 23.710 ( -2.738 -0.825 3.566) 4.571 24.571 ( -2.783 2.255 -8.922) 9.614 24.974 ( -10.853 1.863 -2.669) 11.331 25.380 ( -5.417 -2.781 -2.746) 6.679 25.840 ( 6.971 0.963 -4.636) 8.427 27.021 ( 9.697 4.457 10.445) 14.933 29.308 ( 0.985 1.205 1.367) 2.071 29.481 ( -2.131 1.601 -18.862) 19.050 29.992 ( -0.764 1.600 0.611) 1.875 30.070 ( -2.815 -2.204 4.787) 5.974 46.576 ( -4.484 -0.084 3.725) 5.830 46.685 ( -0.202 -1.669 -2.399) 2.930 89.089 ( -10.841 1.107 -2.554) 11.193 89.330 ( 2.832 -2.251 2.946) 4.665 89.840 ( 1.614 3.642 -2.619) 4.768 91.263 ( -5.152 15.308 -27.934) 32.267 ======================= Grid point 307 (141/196) ======================= q-point: (-0.10 -0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -27.643 -0.000 14.747) 31.330 1.230 ( -13.798 -0.000 23.233) 27.021 2.239 ( -40.731 -0.000 26.350) 48.511 2.378 ( -20.952 -0.000 5.046) 21.551 2.858 ( -4.112 -0.000 -14.149) 14.734 2.860 ( 0.522 0.000 -1.042) 1.165 3.070 ( -1.821 -0.000 3.057) 3.558 3.373 ( -1.584 -0.000 5.820) 6.032 3.717 ( 0.312 0.000 -0.850) 0.905 3.808 ( 1.894 0.000 -6.480) 6.751 4.015 ( 4.744 0.000 6.856) 8.337 4.755 ( 1.382 0.000 -4.110) 4.336 5.298 ( -8.881 -0.000 -1.153) 8.956 5.952 ( 8.338 0.000 -2.887) 8.824 6.325 ( 1.089 0.000 10.898) 10.952 6.894 ( -1.274 -0.000 1.260) 1.792 7.084 ( 7.812 0.000 -0.502) 7.828 7.127 ( -3.892 -0.000 1.316) 4.109 7.638 ( -10.423 -0.000 -2.055) 10.623 8.230 ( -4.312 -0.000 2.638) 5.055 8.248 ( -1.392 -0.000 -11.803) 11.885 8.632 ( -1.746 -0.000 -3.620) 4.019 8.744 ( 9.717 0.000 1.032) 9.772 8.903 ( 8.294 0.000 5.874) 10.163 9.396 ( -8.336 -0.000 -0.475) 8.350 9.396 ( 5.656 0.000 -0.196) 5.659 11.401 ( 12.308 0.000 -7.099) 14.209 11.519 ( 1.645 0.000 10.841) 10.965 12.156 ( -3.658 -0.000 2.596) 4.486 12.424 ( -6.048 -0.000 0.611) 6.079 12.917 ( 0.620 0.000 -3.967) 4.015 13.208 ( 4.654 0.000 -2.184) 5.141 13.834 ( -4.072 -0.000 -0.418) 4.093 14.331 ( -19.851 -0.000 -20.754) 28.719 22.688 ( 4.207 0.000 1.039) 4.334 22.732 ( 16.124 0.000 5.964) 17.192 23.510 ( -4.000 -0.000 3.254) 5.156 23.564 ( -2.173 -0.000 -3.223) 3.887 23.706 ( -2.468 -0.000 5.732) 6.241 24.321 ( -20.383 -0.000 -20.441) 28.867 24.845 ( -5.517 -0.000 1.880) 5.829 25.265 ( -4.993 -0.000 -2.822) 5.735 25.929 ( 7.673 0.000 -1.875) 7.899 27.214 ( 2.754 0.000 -5.372) 6.036 29.345 ( 1.206 0.000 2.287) 2.585 29.352 ( 1.020 0.000 -6.670) 6.747 29.986 ( 0.002 0.000 -1.328) 1.328 30.051 ( -4.367 -0.000 6.997) 8.248 46.537 ( -4.201 -0.000 3.310) 5.348 46.657 ( 0.215 0.000 -2.146) 2.157 88.930 ( -8.940 -0.000 -1.766) 9.113 89.373 ( 1.465 0.000 3.569) 3.858 89.869 ( 1.707 0.000 -4.064) 4.408 90.785 ( -38.464 -0.000 -51.466) 64.251 ======================= Grid point 308 (142/196) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 3.249 0.000 13.206) 13.600 1.338 ( -6.035 -0.000 6.309) 8.731 2.119 ( -1.880 -0.000 3.113) 3.637 2.192 ( -6.827 -0.000 -2.347) 7.219 2.637 ( -6.917 -0.000 16.284) 17.692 2.827 ( 0.242 0.000 -1.288) 1.310 3.292 ( 15.144 0.000 1.413) 15.210 3.455 ( -0.847 -0.000 -9.891) 9.928 3.682 ( 2.453 0.000 -1.653) 2.958 3.715 ( -0.317 -0.000 -2.463) 2.483 4.567 ( 2.184 0.000 3.967) 4.528 4.646 ( 0.921 0.000 -3.377) 3.500 5.256 ( -2.078 -0.000 11.202) 11.393 5.577 ( 0.392 0.000 -18.592) 18.597 6.714 ( -2.507 -0.000 12.705) 12.950 6.897 ( -4.165 -0.000 -3.124) 5.207 7.060 ( -4.698 -0.000 0.283) 4.707 7.110 ( 6.672 0.000 -5.868) 8.886 7.861 ( 7.576 0.000 12.808) 14.881 8.097 ( -3.480 -0.000 -6.203) 7.113 8.224 ( -14.257 -0.000 -2.891) 14.547 8.276 ( 15.925 0.000 -4.389) 16.518 8.963 ( 4.945 0.000 2.262) 5.438 9.006 ( -5.823 -0.000 -1.725) 6.073 9.341 ( 1.831 0.000 4.495) 4.854 9.435 ( -0.548 -0.000 -4.305) 4.339 11.440 ( -16.306 -0.000 5.559) 17.227 11.576 ( 16.902 0.000 -7.072) 18.321 12.299 ( -7.472 -0.000 2.700) 7.945 12.350 ( 6.983 0.000 -2.024) 7.270 12.926 ( -18.469 -0.000 1.749) 18.552 12.962 ( 11.581 0.000 -1.737) 11.710 13.520 ( 2.259 0.000 4.657) 5.176 13.615 ( -2.030 -0.000 -4.267) 4.725 22.921 ( 2.589 0.000 4.772) 5.429 23.024 ( -4.751 -0.000 -4.940) 6.854 23.420 ( -6.523 -0.000 1.342) 6.660 23.449 ( 3.125 0.000 -1.517) 3.474 23.741 ( -6.825 -0.000 2.189) 7.167 23.779 ( 14.103 0.000 -1.426) 14.175 24.899 ( -0.433 -0.000 5.194) 5.212 25.016 ( 0.162 0.000 -5.799) 5.802 26.290 ( 12.895 0.000 5.440) 13.995 26.403 ( -18.661 -0.000 -5.190) 19.369 29.492 ( -2.188 -0.000 4.716) 5.199 29.607 ( 5.319 0.000 -6.190) 8.162 30.064 ( -10.214 -0.000 4.896) 11.327 30.157 ( 14.112 0.000 -3.656) 14.578 46.548 ( -2.562 -0.000 3.084) 4.010 46.609 ( 2.317 0.000 -2.622) 3.499 88.825 ( -12.935 -0.000 -0.044) 12.935 88.826 ( 8.011 0.000 -0.080) 8.011 89.574 ( -2.105 -0.000 6.475) 6.808 89.713 ( 1.546 0.000 -6.537) 6.718 ======================= Grid point 309 (143/196) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 8.107 -2.272 4.487) 9.540 1.656 ( 19.020 -19.429 4.976) 27.641 2.095 ( -0.607 4.232 8.853) 9.831 2.223 ( 7.967 -2.341 -0.286) 8.309 2.683 ( -2.876 -2.457 8.832) 9.608 2.845 ( -3.889 -5.067 2.637) 6.910 3.405 ( 8.742 -3.511 -18.392) 20.664 3.508 ( 12.772 2.286 0.637) 12.991 3.688 ( -1.017 -0.134 -2.340) 2.555 3.758 ( 6.468 -4.268 -1.646) 7.922 4.584 ( -4.816 -1.084 -3.382) 5.984 4.626 ( -1.042 -3.780 0.236) 3.928 5.335 ( -0.994 -0.286 14.962) 14.998 5.479 ( 2.078 -2.337 -15.235) 15.553 6.640 ( -10.919 10.600 11.947) 19.348 6.796 ( -2.273 3.871 -4.101) 6.081 7.008 ( -3.488 -2.024 0.375) 4.050 7.160 ( 0.001 -4.726 -0.366) 4.741 7.967 ( -7.802 -1.295 -10.331) 13.010 8.058 ( 4.966 -0.594 5.156) 7.183 8.095 ( 0.787 -2.578 3.941) 4.774 8.434 ( 9.940 2.449 -4.707) 11.267 8.890 ( -6.767 3.255 -1.280) 7.617 9.092 ( 11.012 -0.133 1.961) 11.186 9.349 ( -4.622 2.037 -3.189) 5.974 9.387 ( -0.105 -0.926 1.377) 1.663 11.284 ( -10.928 -1.017 4.184) 11.746 11.779 ( 16.276 -0.865 -6.580) 17.577 12.179 ( -9.198 2.878 3.044) 10.107 12.376 ( -2.246 -0.758 1.691) 2.911 12.786 ( -2.292 0.473 1.321) 2.687 13.107 ( 6.091 0.194 1.656) 6.315 13.636 ( 6.902 -1.406 3.998) 8.099 13.646 ( 9.239 -2.218 -2.927) 9.942 22.842 ( -9.216 4.471 -0.271) 10.247 22.922 ( -5.750 1.356 2.203) 6.306 23.413 ( -1.277 -2.283 1.171) 2.866 23.576 ( 8.942 -4.060 3.332) 10.370 23.679 ( -0.702 -0.402 -0.918) 1.223 23.950 ( 12.772 0.748 -7.177) 14.670 24.965 ( 2.972 -0.599 4.747) 5.633 25.021 ( 3.697 -3.617 -5.212) 7.342 26.110 ( -16.136 2.201 -1.282) 16.336 26.514 ( 11.693 1.517 8.331) 14.437 29.455 ( -6.131 0.666 2.359) 6.603 29.596 ( 1.041 0.363 -7.203) 7.287 29.954 ( -7.312 0.245 2.993) 7.905 30.296 ( 11.954 3.224 -6.499) 13.983 46.547 ( -1.688 -1.190 3.125) 3.746 46.638 ( 3.198 -1.102 -2.649) 4.296 88.795 ( 6.496 0.298 0.056) 6.503 89.039 ( 19.766 2.072 4.174) 20.307 89.606 ( -2.642 -2.596 5.920) 6.984 89.714 ( 1.918 -4.594 -5.043) 7.087 ======================= Grid point 310 (144/196) ======================= q-point: ( 0.20 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 7.808 -4.732 0.751) 9.161 2.100 ( 6.469 -10.715 -5.351) 13.612 2.197 ( 8.580 0.796 12.976) 15.576 2.456 ( 15.252 -8.022 -1.612) 17.308 2.719 ( 1.268 -1.937 0.948) 2.501 2.864 ( -3.641 -5.464 5.377) 8.487 3.582 ( 20.872 -4.465 -15.479) 26.366 3.604 ( 5.008 -2.901 -2.075) 6.149 3.651 ( -2.124 0.451 -0.267) 2.187 3.931 ( 10.704 -3.925 -3.478) 11.920 4.443 ( -7.243 -0.353 -7.318) 10.302 4.717 ( -0.349 -9.154 3.630) 9.853 5.433 ( -0.195 0.606 14.749) 14.763 5.492 ( 5.509 -5.566 -10.206) 12.864 6.392 ( -13.270 11.280 9.688) 19.930 6.654 ( -2.158 8.685 -4.499) 10.016 7.011 ( -2.235 -3.342 2.053) 4.514 7.237 ( -1.086 -7.331 2.903) 7.959 7.836 ( -4.574 -3.069 -5.697) 7.924 8.140 ( 6.275 -3.241 -1.646) 7.252 8.250 ( 5.765 -0.916 5.029) 7.705 8.443 ( 1.265 3.425 -0.657) 3.710 8.709 ( -8.694 5.737 -1.083) 10.473 9.174 ( -5.672 3.202 -6.514) 9.212 9.288 ( 8.386 1.396 3.815) 9.318 9.405 ( -0.508 -1.771 -0.709) 1.974 11.191 ( -6.665 -0.640 1.159) 6.796 11.913 ( 2.049 -0.738 -6.414) 6.774 12.074 ( 1.823 3.220 3.820) 5.318 12.378 ( -3.344 -3.123 5.241) 6.958 12.807 ( 6.826 2.732 -1.876) 7.588 13.145 ( -0.558 0.311 1.136) 1.303 13.793 ( 6.425 -2.846 4.111) 8.141 13.852 ( 15.127 -0.612 0.536) 15.149 22.668 ( -7.791 3.793 0.825) 8.704 22.801 ( -8.763 0.996 0.198) 8.821 23.431 ( 0.622 -0.769 0.541) 1.127 23.642 ( 0.901 -0.701 -2.031) 2.330 23.869 ( 11.853 -2.743 6.446) 13.768 24.030 ( 7.532 -0.617 -6.845) 10.197 25.044 ( 3.541 -2.403 1.040) 4.404 25.135 ( 7.747 -3.489 -2.641) 8.897 25.867 ( -12.639 2.706 0.656) 12.943 26.692 ( 8.016 3.609 9.222) 12.741 29.347 ( -7.340 0.432 -0.909) 7.409 29.540 ( -0.602 0.422 -7.463) 7.499 29.908 ( -2.932 -0.976 3.160) 4.420 30.335 ( 7.544 5.202 -6.590) 11.287 46.571 ( -1.146 -2.167 3.271) 4.087 46.686 ( 3.734 -1.316 -2.694) 4.789 88.931 ( 13.143 1.609 -2.460) 13.467 89.320 ( 18.192 7.281 6.802) 20.742 89.605 ( -3.740 -2.957 -1.633) 5.040 89.887 ( 9.225 -9.943 5.853) 14.772 ======================= Grid point 311 (145/196) ======================= q-point: ( 0.30 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 5.175 -5.408 0.189) 7.487 2.182 ( 3.023 -2.786 -14.616) 15.184 2.293 ( 2.265 5.138 4.029) 6.911 2.585 ( -2.668 -6.771 4.110) 8.358 2.891 ( 3.855 -4.260 2.880) 6.427 3.012 ( 9.893 -6.435 -0.823) 11.830 3.607 ( -0.193 -0.048 -3.349) 3.354 3.626 ( 5.295 5.468 0.115) 7.613 3.942 ( 18.280 -14.306 -8.042) 24.566 4.078 ( 7.806 -2.065 -3.410) 8.765 4.325 ( -3.659 -1.881 -6.112) 7.368 4.899 ( 5.585 -10.659 2.422) 12.275 5.499 ( -3.411 3.430 14.218) 15.018 5.621 ( 9.011 -7.423 -6.813) 13.517 6.158 ( -12.021 6.581 8.882) 16.331 6.475 ( -0.291 10.484 -6.049) 12.107 7.044 ( -2.819 -4.008 4.474) 6.635 7.339 ( 1.035 -5.884 2.027) 6.309 7.835 ( -0.078 -5.449 -1.167) 5.574 8.244 ( -3.793 3.366 0.896) 5.150 8.281 ( 4.394 -0.512 0.319) 4.436 8.486 ( 5.632 -2.070 1.752) 6.251 8.524 ( -5.444 4.001 0.502) 6.774 8.973 ( -6.436 5.483 -6.103) 10.427 9.383 ( -1.468 -2.051 -1.705) 3.044 9.406 ( 3.340 1.632 2.046) 4.243 11.113 ( -4.270 0.400 -1.108) 4.429 11.803 ( -7.303 1.752 -2.065) 7.789 12.164 ( 7.320 0.840 -0.025) 7.368 12.437 ( 0.230 -3.565 5.265) 6.363 12.872 ( 9.135 3.468 -2.189) 10.013 13.126 ( -2.411 -0.391 0.084) 2.444 13.942 ( 4.067 -4.256 3.516) 6.857 14.048 ( 11.560 2.783 2.116) 12.077 22.538 ( -5.421 2.711 0.973) 6.139 22.674 ( -7.229 -0.029 -0.521) 7.247 23.460 ( 1.732 -0.237 0.621) 1.855 23.653 ( 1.475 -0.541 -2.238) 2.734 23.960 ( 4.013 3.160 -6.112) 7.965 24.199 ( 7.228 -4.518 7.322) 11.237 25.149 ( 3.816 -2.595 3.387) 5.725 25.254 ( 7.405 -1.998 -5.327) 9.338 25.696 ( -7.956 1.369 1.310) 8.179 26.787 ( 3.820 4.354 7.411) 9.406 29.250 ( -4.821 -0.767 -0.999) 4.983 29.468 ( -0.917 0.366 -7.783) 7.845 29.923 ( -1.135 -1.653 3.451) 3.991 30.311 ( 4.496 5.238 -5.240) 8.666 46.609 ( -1.028 -2.504 3.311) 4.276 46.734 ( 3.646 -0.742 -2.649) 4.568 89.071 ( 11.866 2.552 -2.789) 12.454 89.448 ( 4.307 5.852 4.784) 8.700 89.594 ( 1.816 -2.523 -3.081) 4.377 90.230 ( 12.784 -6.682 10.156) 17.642 ======================= Grid point 312 (146/196) ======================= q-point: ( 0.40 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 1.421 -3.064 -3.015) 4.527 2.029 ( -1.286 4.879 -14.181) 15.051 2.327 ( -0.532 -2.879 3.434) 4.513 2.697 ( -1.070 -6.483 8.371) 10.642 2.961 ( 0.355 -0.910 0.810) 1.269 3.110 ( 5.491 2.331 -8.787) 10.621 3.599 ( 2.324 0.412 -3.850) 4.516 3.648 ( 3.011 1.971 3.723) 5.178 4.146 ( 4.160 1.614 -1.930) 4.861 4.174 ( -5.085 -5.734 -3.044) 8.247 4.423 ( 15.188 -10.123 -4.092) 18.706 5.150 ( 10.750 -7.878 0.069) 13.328 5.424 ( -10.410 6.948 11.935) 17.294 5.798 ( 8.282 -6.320 -5.440) 11.753 6.026 ( -8.630 -0.135 6.079) 10.557 6.329 ( 3.528 9.896 -4.686) 11.503 7.091 ( -2.773 -4.162 5.648) 7.544 7.431 ( 2.855 -2.595 0.645) 3.912 7.903 ( -0.787 -4.590 0.615) 4.697 8.090 ( -8.198 4.875 2.214) 9.792 8.303 ( 1.206 -0.900 -0.934) 1.771 8.487 ( -0.188 2.763 2.246) 3.566 8.645 ( 7.433 -4.945 0.836) 8.967 8.803 ( -1.733 4.692 -4.134) 6.489 9.304 ( -5.720 0.785 -4.350) 7.229 9.460 ( 1.635 -0.272 2.755) 3.215 11.047 ( -1.791 0.850 -2.127) 2.908 11.674 ( -5.485 2.156 -0.168) 5.896 12.235 ( 3.600 0.227 -0.436) 3.633 12.527 ( 1.794 -2.621 3.492) 4.720 12.948 ( 8.602 3.316 -1.542) 9.347 13.088 ( -4.001 -1.275 -0.582) 4.240 14.061 ( 1.456 -4.993 2.405) 5.730 14.146 ( 6.260 4.233 1.764) 7.760 22.460 ( -2.542 1.613 0.827) 3.122 22.591 ( -4.132 -0.415 -0.300) 4.163 23.492 ( 1.420 -0.316 0.594) 1.571 23.662 ( 0.723 -0.311 -1.342) 1.555 23.912 ( 0.957 2.492 -5.795) 6.380 24.366 ( 2.902 -2.712 5.975) 7.175 25.221 ( -0.153 2.929 7.519) 8.070 25.338 ( 6.488 -4.473 -8.783) 11.800 25.628 ( -2.225 -0.543 0.776) 2.418 26.819 ( 1.371 3.005 4.888) 5.899 29.212 ( -2.528 -1.513 1.071) 3.135 29.398 ( -0.360 0.139 -8.020) 8.029 29.951 ( -0.858 -1.345 2.763) 3.190 30.274 ( 2.534 4.007 -3.073) 5.649 46.645 ( -1.245 -2.123 3.117) 3.972 46.767 ( 2.889 0.306 -2.484) 3.823 89.172 ( 8.457 2.477 -1.643) 8.964 89.412 ( -4.234 0.386 0.412) 4.272 89.655 ( 4.722 0.523 -0.185) 4.755 90.513 ( 8.376 -3.693 7.058) 11.559 ======================= Grid point 313 (147/196) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -3.924 2.773 -6.130) 7.788 1.967 ( -0.002 0.958 -0.781) 1.236 2.367 ( -1.589 -2.662 1.422) 3.411 2.805 ( -2.763 -4.653 9.044) 10.539 2.956 ( -0.715 0.219 0.262) 0.792 3.055 ( 4.896 5.701 -10.987) 13.311 3.590 ( 0.909 1.352 -2.405) 2.905 3.710 ( 1.371 -1.194 2.967) 3.480 4.080 ( -3.316 1.311 -1.930) 4.055 4.169 ( -1.087 0.651 0.917) 1.565 4.604 ( -2.482 2.146 1.542) 3.625 5.244 ( -11.477 1.698 8.931) 14.641 5.412 ( 15.021 -3.786 -5.346) 16.387 5.866 ( -4.642 -1.393 -0.561) 4.879 6.015 ( 3.425 -4.380 -2.274) 6.007 6.270 ( 4.008 5.526 -1.818) 7.064 7.134 ( -1.606 -1.617 4.277) 4.846 7.460 ( -3.423 0.781 3.053) 4.653 7.938 ( 1.585 -0.144 -0.935) 1.846 7.995 ( 1.077 -1.320 0.176) 1.712 8.372 ( 0.841 -1.439 -0.091) 1.669 8.430 ( -0.832 0.847 0.195) 1.203 8.696 ( 1.428 2.542 -2.222) 3.666 8.826 ( 1.515 -1.005 1.858) 2.600 9.180 ( -3.754 0.368 -2.149) 4.341 9.499 ( 1.057 -0.787 0.452) 1.393 11.019 ( 1.300 0.337 -2.275) 2.642 11.603 ( -1.591 2.061 2.375) 3.524 12.259 ( 0.101 -0.516 -0.665) 0.848 12.584 ( 0.309 -0.929 1.337) 1.657 13.000 ( 0.801 0.600 -0.912) 1.354 13.046 ( 0.398 0.115 -0.880) 0.972 14.127 ( 2.151 1.840 0.685) 2.913 14.171 ( -1.919 -3.394 0.862) 3.993 22.436 ( 0.514 0.813 0.677) 1.176 22.560 ( -0.765 -0.432 0.069) 0.881 23.511 ( -0.021 -0.548 0.085) 0.554 23.662 ( -0.459 -0.154 -0.050) 0.487 23.856 ( -0.690 1.614 -2.724) 3.240 24.445 ( 0.109 -2.131 2.219) 3.079 25.205 ( -3.367 3.202 7.732) 9.021 25.404 ( 4.159 -3.119 -8.964) 10.362 25.630 ( 0.869 -0.316 -0.278) 0.966 26.836 ( 0.346 0.392 2.905) 2.952 29.222 ( -1.069 -1.747 3.026) 3.654 29.340 ( 0.393 0.046 -7.896) 7.906 29.969 ( -0.654 -0.803 1.685) 1.978 30.244 ( 0.549 2.409 -0.689) 2.565 46.667 ( -1.602 -1.227 2.692) 3.365 46.772 ( 1.658 1.465 -2.175) 3.103 89.217 ( 0.596 1.096 -0.358) 1.298 89.366 ( -0.743 -0.606 -0.466) 1.066 89.691 ( 0.346 -0.149 0.058) 0.382 90.662 ( 2.165 -3.683 0.619) 4.317 ======================= Grid point 314 (148/196) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -3.132 1.141 8.556) 9.183 1.903 ( -4.092 4.737 0.254) 6.265 2.367 ( -2.497 -2.680 -0.708) 3.731 2.830 ( -4.187 0.549 2.861) 5.101 2.957 ( 0.131 1.329 1.085) 1.721 2.999 ( 4.361 2.524 -4.906) 7.033 3.555 ( -1.987 1.793 -0.061) 2.677 3.715 ( -3.904 -1.427 -1.662) 4.477 4.049 ( -1.255 2.131 5.386) 5.927 4.119 ( -3.477 3.710 2.314) 5.586 4.335 ( -18.159 13.289 4.011) 22.857 5.120 ( -7.332 5.002 2.079) 9.116 5.621 ( 10.022 -3.818 -4.460) 11.615 5.758 ( -7.870 1.757 -0.400) 8.074 6.149 ( 11.100 -3.696 -6.512) 13.389 6.275 ( 0.656 -3.481 -0.301) 3.555 7.135 ( -0.606 2.379 1.631) 2.948 7.392 ( -5.681 1.450 4.213) 7.220 7.934 ( 1.237 2.640 -2.172) 3.635 8.136 ( 9.480 -4.527 -1.668) 10.637 8.298 ( -2.020 2.183 -0.426) 3.004 8.512 ( 2.569 -4.228 -0.048) 4.948 8.672 ( -3.524 3.544 -1.938) 5.361 8.747 ( -3.868 0.955 1.117) 4.138 9.220 ( 4.392 -1.961 3.154) 5.752 9.511 ( -0.183 -0.610 -1.897) 2.001 11.047 ( 4.539 -0.600 -2.115) 5.044 11.614 ( 2.634 1.928 5.183) 6.125 12.241 ( -3.185 -1.279 -0.953) 3.562 12.575 ( -1.781 0.754 -0.769) 2.081 12.942 ( -6.824 -2.341 -1.009) 7.285 13.087 ( 5.225 1.742 -0.616) 5.543 14.086 ( -0.134 6.363 0.185) 6.367 14.188 ( -7.316 -9.330 -2.100) 12.040 22.465 ( 3.542 -0.083 0.529) 3.582 22.579 ( 2.479 -0.214 0.623) 2.565 23.503 ( -2.025 -0.929 -0.509) 2.285 23.650 ( -1.351 0.090 0.284) 1.384 23.822 ( -1.673 0.495 2.004) 2.657 24.454 ( -2.385 -1.503 -2.073) 3.499 25.162 ( -5.511 2.867 7.700) 9.894 25.397 ( 0.271 -0.941 -8.862) 8.916 25.655 ( 3.740 -0.115 -1.834) 4.167 26.866 ( -0.411 -3.064 0.842) 3.204 29.263 ( 0.247 -1.585 3.349) 3.713 29.295 ( 0.962 0.241 -5.832) 5.916 29.978 ( -0.158 -0.398 0.544) 0.692 30.219 ( -1.757 0.898 1.712) 2.613 46.667 ( -1.930 -0.169 2.145) 2.890 46.748 ( 0.355 2.415 -1.790) 3.027 89.155 ( -7.624 -0.982 -0.024) 7.687 89.404 ( 4.540 0.554 0.769) 4.638 89.669 ( -4.972 -2.413 -1.029) 5.621 90.673 ( -4.650 -4.509 -7.446) 9.869 ======================= Grid point 315 (149/196) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -5.095 6.770 4.753) 9.715 1.751 ( -7.731 3.286 18.826) 20.615 2.369 ( -4.117 -6.887 -2.014) 8.272 2.734 ( -3.537 3.532 -4.119) 6.477 2.942 ( 2.046 4.890 -0.385) 5.315 2.974 ( -2.485 5.031 -0.942) 5.690 3.482 ( -9.528 0.952 6.591) 11.625 3.632 ( -9.217 -0.434 1.719) 9.386 3.832 ( -11.375 13.863 0.553) 17.941 3.996 ( -9.675 4.834 3.203) 11.280 4.168 ( 2.910 3.148 8.497) 9.518 4.940 ( -3.803 9.602 -1.549) 10.443 5.579 ( -7.169 6.156 -1.710) 9.603 5.729 ( 3.353 -2.791 -6.129) 7.523 6.276 ( 5.419 -2.604 0.174) 6.014 6.440 ( 9.584 -13.037 -5.857) 17.208 7.090 ( -0.912 3.795 0.062) 3.904 7.334 ( -2.521 2.797 2.481) 4.510 7.844 ( -2.519 6.087 -2.176) 6.938 8.267 ( -2.735 0.119 1.191) 2.985 8.292 ( 3.243 -1.218 -2.867) 4.497 8.500 ( -3.145 -0.105 -1.249) 3.386 8.572 ( 1.148 -2.646 -2.631) 3.904 8.841 ( 6.681 -2.738 6.088) 9.445 9.325 ( 4.343 -0.260 2.893) 5.225 9.472 ( -3.768 -0.443 -3.184) 4.953 11.130 ( 7.555 -1.071 -2.547) 8.044 11.694 ( 4.664 2.095 7.509) 9.084 12.187 ( -5.562 -1.958 -1.535) 6.093 12.515 ( -2.549 1.797 -1.861) 3.632 12.867 ( -5.886 -2.360 -1.553) 6.529 13.133 ( 3.885 0.728 -0.715) 4.016 13.983 ( -4.276 4.898 -0.299) 6.509 14.132 ( -12.244 -8.464 -5.755) 15.958 22.549 ( 6.138 -1.724 0.133) 6.377 22.648 ( 5.836 0.077 1.784) 6.103 23.474 ( -3.268 -1.504 -0.598) 3.647 23.624 ( -1.982 0.485 0.432) 2.086 23.823 ( -2.450 -0.601 5.780) 6.307 24.360 ( -7.656 0.768 -6.934) 10.358 25.076 ( -6.439 4.738 5.913) 9.943 25.317 ( -3.242 0.546 -6.923) 7.664 25.732 ( 7.629 -1.557 -2.212) 8.094 26.903 ( -2.536 -6.859 -2.905) 7.869 29.268 ( 2.812 0.983 -3.422) 4.537 29.333 ( 1.186 -1.599 4.908) 5.297 29.977 ( 0.310 0.489 -1.224) 1.354 30.199 ( -3.952 -0.897 4.710) 6.214 46.647 ( -2.255 0.651 1.773) 2.941 46.701 ( -0.437 2.932 -1.583) 3.360 89.039 ( -10.025 -1.162 0.311) 10.097 89.472 ( 4.550 1.615 2.704) 5.533 89.598 ( -9.958 -6.631 -3.736) 12.533 90.510 ( -12.665 -2.043 -15.764) 20.324 ======================= Grid point 316 (150/196) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -10.995 10.532 7.715) 17.069 1.774 ( -9.852 5.098 21.786) 24.447 2.345 ( -13.852 -7.873 1.192) 15.977 2.550 ( -11.110 4.752 -8.746) 14.917 2.788 ( 1.926 8.554 -4.494) 9.853 2.904 ( -3.739 5.055 5.246) 8.189 3.283 ( -13.977 9.477 7.618) 18.526 3.525 ( -3.250 2.213 4.414) 5.911 3.694 ( 0.403 0.220 -2.883) 2.919 3.836 ( -7.810 3.458 4.425) 9.619 4.268 ( 6.784 2.680 9.746) 12.174 4.788 ( 1.531 9.535 -3.203) 10.175 5.384 ( -6.461 6.688 -0.444) 9.310 5.736 ( 2.669 -2.205 -11.746) 12.246 6.415 ( 2.415 -7.061 5.789) 9.445 6.713 ( 11.662 -12.658 -8.025) 18.990 7.022 ( -1.493 4.224 0.494) 4.507 7.271 ( -0.903 5.219 0.127) 5.298 7.733 ( -2.088 5.890 3.005) 6.934 8.133 ( -6.175 1.969 -0.365) 6.492 8.296 ( -2.313 0.574 -0.682) 2.478 8.499 ( -2.283 -2.303 -4.678) 5.692 8.687 ( 8.115 -5.365 0.870) 9.767 9.028 ( 6.948 -1.884 6.933) 9.995 9.353 ( -8.400 -1.254 -1.198) 8.577 9.404 ( 4.117 1.366 -1.650) 4.641 11.250 ( 10.582 -0.788 -4.072) 11.366 11.759 ( -2.086 2.382 7.838) 8.453 12.138 ( -1.243 -2.638 -1.815) 3.435 12.442 ( -3.043 1.640 -0.950) 3.584 12.821 ( -1.190 -1.672 -2.750) 3.431 13.171 ( 2.481 -0.248 -1.342) 2.832 13.840 ( -9.758 1.704 -0.707) 9.931 13.940 ( -16.945 -3.114 -7.792) 18.909 22.675 ( 6.756 -2.719 0.102) 7.284 22.784 ( 10.113 -1.592 1.991) 10.429 23.444 ( -2.934 -1.849 -0.482) 3.501 23.598 ( -1.094 0.717 1.729) 2.168 23.833 ( -4.263 -1.118 6.489) 7.844 24.093 ( -15.005 5.929 -9.472) 18.709 24.969 ( -4.706 4.632 4.710) 8.111 25.204 ( -4.277 1.395 -5.602) 7.185 25.878 ( 10.421 -2.174 -0.612) 10.663 26.882 ( -8.810 -7.831 -8.352) 14.446 29.324 ( 7.801 -0.074 0.844) 7.847 29.409 ( 2.042 -0.906 5.016) 5.492 29.965 ( 1.501 0.876 -2.032) 2.674 30.189 ( -6.135 -2.027 6.829) 9.401 46.614 ( -2.964 0.905 2.306) 3.863 46.648 ( 0.066 2.843 -2.146) 3.563 88.906 ( -9.457 -0.545 0.120) 9.473 89.466 ( -14.178 -5.875 -4.081) 15.880 89.541 ( -0.971 -3.706 0.482) 3.861 90.133 ( -16.078 7.281 -17.138) 24.601 ======================= Grid point 317 (151/196) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -9.336 10.342 12.502) 18.719 1.566 ( -20.756 10.240 12.971) 26.532 2.179 ( -15.505 -4.542 4.464) 16.762 2.339 ( -4.661 -0.920 -12.895) 13.742 2.700 ( -12.920 7.329 20.237) 25.103 2.842 ( 3.826 3.534 -3.423) 6.233 3.138 ( 6.927 5.807 -0.599) 9.059 3.507 ( -3.056 -0.969 2.011) 3.784 3.684 ( 0.025 -0.417 -2.641) 2.674 3.751 ( -1.434 2.854 0.051) 3.194 4.436 ( 7.721 -0.627 8.562) 11.546 4.691 ( 2.664 7.324 -3.756) 8.651 5.257 ( -4.477 2.886 5.264) 7.489 5.690 ( 2.399 -0.882 -17.590) 17.775 6.589 ( 0.940 -7.163 9.706) 12.099 6.925 ( 1.533 -9.255 -7.404) 11.951 6.987 ( 5.837 2.147 1.279) 6.350 7.178 ( -0.755 6.396 -2.687) 6.979 7.714 ( 1.658 3.421 11.371) 11.990 8.115 ( 5.802 -0.793 -2.061) 6.208 8.212 ( -4.830 2.017 -1.794) 5.533 8.416 ( -7.903 -0.945 -4.609) 9.197 8.860 ( 5.779 -3.547 1.501) 6.945 9.106 ( -5.005 0.420 1.294) 5.187 9.275 ( 0.244 -1.312 2.337) 2.691 9.439 ( 3.161 0.255 -2.731) 4.185 11.397 ( 13.824 -0.288 -6.024) 15.082 11.650 ( -14.514 1.623 5.409) 15.574 12.220 ( 8.136 -2.239 -0.737) 8.470 12.374 ( -4.924 0.365 1.273) 5.099 12.846 ( 6.240 -0.426 -3.655) 7.244 13.156 ( -6.497 -0.781 -3.099) 7.241 13.595 ( -18.131 -0.103 1.082) 18.164 13.724 ( -6.064 2.516 -4.010) 7.693 22.808 ( 6.250 -1.959 2.405) 6.978 22.978 ( 9.089 -4.464 -2.518) 10.435 23.430 ( -1.476 -1.828 -0.530) 2.409 23.622 ( 3.091 0.193 1.699) 3.532 23.694 ( -14.133 8.911 -5.262) 17.517 23.815 ( -7.170 -0.304 5.815) 9.237 24.904 ( -2.905 2.353 4.652) 5.968 25.089 ( -2.773 1.603 -5.752) 6.583 26.070 ( 12.124 -1.431 2.100) 12.388 26.700 ( -16.662 -3.860 -9.416) 19.524 29.458 ( 1.541 -1.420 4.872) 5.303 29.508 ( 10.791 -0.179 -1.368) 10.879 30.002 ( 6.911 -0.437 -1.225) 7.032 30.154 ( -8.715 -1.386 6.750) 11.110 46.575 ( -3.395 0.766 3.142) 4.689 46.612 ( 1.406 1.656 -2.798) 3.542 88.804 ( -3.711 -0.090 -0.727) 3.783 89.165 ( -29.377 -5.463 -8.262) 31.002 89.567 ( -1.165 0.884 5.257) 5.457 89.790 ( -1.613 7.706 -8.197) 11.365 ======================= Grid point 319 (152/196) ======================= q-point: ( 0.10 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 20.238 0.000 -11.175) 23.118 1.759 ( 13.004 0.000 9.814) 16.292 2.226 ( 4.106 0.000 18.102) 18.562 2.382 ( 11.967 0.000 -1.190) 12.026 2.734 ( 6.188 0.000 -0.979) 6.265 2.788 ( -2.967 -0.000 6.466) 7.114 3.395 ( 13.013 0.000 -16.423) 20.954 3.610 ( 0.988 0.000 -2.986) 3.145 3.778 ( 7.635 0.000 -5.913) 9.657 3.810 ( 13.214 0.000 -0.048) 13.214 4.473 ( -5.379 -0.000 -10.668) 11.947 4.553 ( -2.391 -0.000 2.043) 3.145 5.415 ( 4.823 0.000 -10.565) 11.613 5.448 ( 0.607 0.000 16.015) 16.027 6.627 ( -16.691 -0.000 14.370) 22.025 6.700 ( -4.255 -0.000 -5.346) 6.833 7.014 ( 4.107 0.000 -1.070) 4.244 7.081 ( -5.925 -0.000 4.349) 7.350 7.795 ( -4.230 -0.000 -8.094) 9.133 8.099 ( 5.906 0.000 -1.688) 6.142 8.235 ( 7.348 0.000 7.358) 10.399 8.494 ( 0.578 0.000 -2.831) 2.890 8.791 ( -9.362 -0.000 -0.931) 9.408 9.208 ( -0.349 -0.000 -6.741) 6.750 9.322 ( 6.122 0.000 2.304) 6.542 9.372 ( -1.817 -0.000 0.636) 1.925 11.183 ( -5.834 -0.000 1.986) 6.162 11.903 ( 5.936 0.000 -8.019) 9.977 12.126 ( -1.695 -0.000 3.629) 4.005 12.326 ( -4.789 -0.000 6.756) 8.282 12.845 ( 8.079 0.000 -3.195) 8.688 13.148 ( -1.219 -0.000 1.128) 1.661 13.753 ( 6.196 0.000 3.278) 7.010 13.839 ( 16.246 0.000 4.116) 16.759 22.731 ( -8.516 -0.000 -0.222) 8.519 22.804 ( -11.458 -0.000 1.185) 11.519 23.430 ( 1.289 0.000 2.716) 3.006 23.631 ( 1.002 0.000 -1.205) 1.567 23.805 ( 15.447 0.000 5.944) 16.551 24.036 ( 7.015 0.000 -9.924) 12.153 25.007 ( 4.135 0.000 -5.071) 6.543 25.099 ( 9.140 0.000 3.905) 9.939 25.906 ( -13.005 -0.000 -0.017) 13.005 26.739 ( 7.026 0.000 11.967) 13.877 29.353 ( -8.155 -0.000 -1.136) 8.234 29.545 ( -0.816 -0.000 -7.148) 7.195 29.895 ( -3.640 -0.000 3.042) 4.744 30.406 ( 7.944 0.000 -8.861) 11.901 46.543 ( -0.875 -0.000 3.036) 3.160 46.668 ( 4.291 0.000 -2.478) 4.956 88.953 ( 14.632 0.000 -3.735) 15.101 89.443 ( 19.269 0.000 7.574) 20.704 89.616 ( -0.975 -0.000 6.949) 7.017 89.681 ( 7.451 0.000 0.443) 7.465 ======================= Grid point 320 (153/196) ======================= q-point: ( 0.20 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 12.392 6.592 -1.782) 14.149 2.039 ( 6.288 -7.393 -4.012) 10.503 2.432 ( 7.411 2.585 7.098) 10.583 2.494 ( 3.832 -0.960 1.283) 4.153 2.846 ( 10.244 0.372 -0.135) 10.252 2.868 ( 9.526 -2.885 2.361) 10.230 3.559 ( 8.514 -9.225 -4.024) 13.182 3.601 ( -0.013 -0.410 -1.507) 1.562 3.826 ( 13.864 4.540 -9.318) 17.311 4.010 ( 10.132 -2.942 -4.516) 11.477 4.318 ( -0.899 1.018 -11.818) 11.895 4.619 ( 2.103 -8.826 1.646) 9.221 5.477 ( 8.654 -3.370 -5.655) 10.873 5.560 ( 0.304 1.389 13.815) 13.888 6.391 ( -15.047 10.121 10.073) 20.744 6.630 ( -4.213 -1.083 -4.033) 5.932 6.990 ( -3.195 2.545 5.274) 6.671 7.162 ( 2.566 -7.620 2.243) 8.347 7.736 ( 0.200 -2.193 -3.823) 4.412 8.217 ( 8.938 -1.426 -0.379) 9.059 8.337 ( 0.033 1.665 -0.028) 1.666 8.473 ( 0.396 0.087 4.636) 4.654 8.618 ( -9.685 2.588 -1.091) 10.084 9.081 ( -4.274 2.529 -8.691) 10.010 9.345 ( -2.013 -0.825 -1.340) 2.555 9.440 ( 4.740 0.836 3.194) 5.777 11.126 ( -3.034 0.411 -0.026) 3.062 11.833 ( -4.521 0.683 -6.617) 8.043 12.189 ( 5.579 0.822 1.788) 5.916 12.356 ( -0.590 -2.277 7.390) 7.755 12.938 ( 9.281 1.589 -3.896) 10.190 13.116 ( -3.348 -0.277 -0.312) 3.374 13.855 ( 3.065 -2.096 2.387) 4.414 14.094 ( 11.785 0.809 7.659) 14.078 22.605 ( -6.767 2.518 0.440) 7.233 22.658 ( -8.717 -1.300 -0.643) 8.837 23.465 ( 1.137 0.410 2.686) 2.945 23.641 ( 1.608 -0.323 -1.961) 2.556 24.019 ( 3.470 1.572 -8.635) 9.438 24.101 ( 11.256 -2.824 8.788) 14.557 25.063 ( 6.417 -2.386 -3.947) 7.903 25.262 ( 9.950 0.712 1.746) 10.127 25.735 ( -9.840 1.225 0.972) 9.963 26.867 ( 0.586 1.870 10.868) 11.043 29.238 ( -5.541 -0.236 -1.749) 5.815 29.477 ( -1.270 0.286 -6.747) 6.872 29.890 ( -1.344 -0.776 3.641) 3.958 30.413 ( 4.377 2.414 -8.663) 10.002 46.564 ( -0.267 -1.013 3.066) 3.240 46.721 ( 4.887 -0.298 -2.550) 5.520 89.120 ( 12.962 1.231 -4.740) 13.856 89.508 ( -3.575 -1.007 -4.482) 5.821 89.631 ( 4.088 4.403 5.936) 8.446 90.092 ( 20.483 -3.854 18.445) 27.832 ======================= Grid point 321 (154/196) ======================= q-point: ( 0.30 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 7.670 3.673 -0.160) 8.506 2.090 ( 3.617 -2.185 -13.100) 13.765 2.387 ( 0.164 8.940 1.437) 9.056 2.626 ( 6.671 0.273 6.366) 9.225 2.951 ( 3.886 0.200 2.774) 4.779 3.116 ( 13.644 -2.091 -4.957) 14.666 3.603 ( 1.163 0.027 -0.056) 1.165 3.700 ( 2.838 -1.905 -0.011) 3.418 3.967 ( 7.049 -6.970 -5.281) 11.232 4.109 ( 8.121 -2.541 -5.654) 10.216 4.293 ( 7.460 -0.432 -8.343) 11.200 4.849 ( 8.347 -13.862 0.103) 16.181 5.571 ( -6.563 4.003 10.237) 12.802 5.650 ( 9.510 -4.749 -2.026) 10.821 6.142 ( -11.205 8.687 8.121) 16.339 6.555 ( 2.722 4.675 -5.799) 7.931 6.974 ( -5.564 -2.702 7.910) 10.041 7.314 ( 4.506 -6.315 0.503) 7.774 7.785 ( 2.383 -3.853 -0.322) 4.542 8.200 ( -9.094 3.789 0.418) 9.860 8.312 ( -1.237 0.460 -1.210) 1.790 8.532 ( 1.076 1.022 3.425) 3.732 8.560 ( 6.405 -1.738 2.028) 6.939 8.934 ( -0.574 4.673 -7.914) 9.208 9.304 ( -3.051 -0.520 -3.201) 4.453 9.480 ( 0.098 1.486 3.657) 3.949 11.081 ( -0.701 1.532 -1.322) 2.141 11.714 ( -3.805 1.135 -5.024) 6.403 12.251 ( 2.804 0.859 0.870) 3.059 12.450 ( 1.610 -3.100 5.926) 6.879 13.016 ( 7.744 2.127 -2.816) 8.510 13.058 ( -4.776 -0.996 -1.353) 5.063 13.925 ( -1.034 -4.546 1.613) 4.933 14.248 ( 5.599 2.906 6.532) 9.081 22.497 ( -4.194 1.280 -0.724) 4.444 22.578 ( -4.221 -0.609 0.387) 4.282 23.492 ( 0.456 0.201 2.402) 2.453 23.654 ( 1.143 -0.327 -1.430) 1.859 23.960 ( 0.427 1.396 -8.476) 8.601 24.310 ( 3.928 -1.664 9.013) 9.972 25.191 ( 8.422 -3.541 -2.181) 9.393 25.365 ( 5.923 4.033 0.952) 7.229 25.620 ( -4.840 0.087 0.903) 4.925 26.878 ( -3.622 1.759 6.328) 7.500 29.184 ( -2.568 -0.785 1.061) 2.888 29.409 ( -0.883 0.587 -6.237) 6.327 29.916 ( -0.802 -1.232 3.709) 3.990 30.367 ( 2.398 3.097 -7.288) 8.274 46.600 ( -0.077 -1.418 3.103) 3.412 46.774 ( 4.736 0.221 -2.777) 5.495 89.228 ( 8.594 1.999 -3.180) 9.379 89.414 ( -6.219 -0.487 -2.269) 6.638 89.683 ( 3.021 1.427 1.869) 3.829 90.479 ( 11.397 0.394 16.530) 20.082 ======================= Grid point 322 (155/196) ======================= q-point: ( 0.40 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 0.094 4.306 -7.248) 8.431 2.090 ( 7.923 4.372 -3.774) 9.805 2.344 ( 3.059 4.802 3.313) 6.587 2.746 ( 3.530 -0.143 6.464) 7.366 2.980 ( 0.221 1.940 0.768) 2.098 3.203 ( 9.029 4.726 -7.871) 12.876 3.632 ( 3.141 0.632 -1.089) 3.383 3.719 ( 1.344 2.611 -0.351) 2.957 4.034 ( -1.459 -4.816 -2.129) 5.464 4.192 ( 2.340 0.842 -2.254) 3.356 4.468 ( 11.080 -9.436 -3.489) 14.966 5.138 ( 5.094 -11.979 1.193) 13.072 5.406 ( -11.846 4.965 5.440) 13.949 5.820 ( 6.363 -5.374 -1.801) 8.521 5.973 ( -7.478 5.968 5.467) 11.020 6.519 ( 10.208 9.956 -6.741) 15.772 7.013 ( -5.116 -6.742 8.742) 12.167 7.426 ( 0.880 -3.547 -0.200) 3.660 7.867 ( 3.536 -3.466 -0.276) 4.959 8.031 ( -7.720 2.674 1.114) 8.246 8.295 ( 1.478 -2.203 -0.680) 2.739 8.498 ( -4.550 2.464 0.197) 5.178 8.749 ( 10.437 -1.143 2.096) 10.706 8.854 ( 3.533 5.121 -3.659) 7.218 9.215 ( -4.799 1.789 -2.415) 5.663 9.487 ( -0.241 0.001 2.310) 2.322 11.054 ( 2.216 2.234 -2.203) 3.841 11.639 ( -0.510 0.981 -2.560) 2.789 12.262 ( -0.678 0.617 0.479) 1.034 12.540 ( 0.658 -2.445 3.701) 4.485 12.974 ( -6.360 -1.545 -2.236) 6.917 13.079 ( 5.280 1.448 -1.309) 5.629 13.960 ( -5.107 -6.960 0.873) 8.677 14.286 ( 0.931 4.456 3.999) 6.060 22.447 ( -0.626 0.075 -1.215) 1.369 22.552 ( -0.773 -0.186 1.111) 1.367 23.505 ( -0.591 0.019 1.754) 1.851 23.659 ( 0.079 -0.075 -0.321) 0.339 23.887 ( -1.138 0.952 -5.826) 6.012 24.396 ( -1.384 -1.579 5.958) 6.317 25.319 ( 3.036 1.633 3.945) 5.239 25.355 ( 4.044 2.725 -4.314) 6.511 25.611 ( 1.131 -1.103 -0.195) 1.592 26.834 ( -4.987 -0.474 2.367) 5.540 29.188 ( -1.127 -0.977 4.089) 4.352 29.351 ( 0.016 0.761 -5.584) 5.636 29.942 ( -1.071 -1.133 2.995) 3.377 30.311 ( 1.121 2.665 -5.397) 6.122 46.636 ( -0.305 -1.129 3.090) 3.304 46.807 ( 3.944 1.268 -3.046) 5.142 89.246 ( -2.367 1.132 -2.863) 3.884 89.354 ( 0.052 -0.378 0.842) 0.925 89.694 ( -0.996 0.318 -0.172) 1.059 90.652 ( 2.684 2.261 9.159) 9.808 ======================= Grid point 323 (156/196) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.785 4.453 0.216) 4.527 2.113 ( 7.819 9.397 -0.576) 12.238 2.361 ( 1.667 3.753 2.796) 4.968 2.821 ( -0.453 -0.214 6.700) 6.718 2.952 ( -0.844 0.492 0.583) 1.138 3.193 ( 9.738 9.046 -7.699) 15.361 3.639 ( 3.999 4.246 -3.906) 7.020 3.681 ( -4.599 -0.629 -0.309) 4.652 4.044 ( -2.117 -1.331 1.291) 2.814 4.188 ( 1.080 1.736 2.162) 2.975 4.569 ( -8.056 2.982 1.483) 8.718 5.110 ( -12.130 -2.834 5.016) 13.429 5.473 ( 10.555 -8.713 -6.788) 15.277 5.823 ( -9.818 2.940 3.350) 10.782 5.958 ( 5.899 -4.872 -0.375) 7.660 6.477 ( 9.939 12.875 -7.775) 18.027 7.105 ( -1.160 -5.489 6.535) 8.613 7.403 ( -6.515 -0.178 2.053) 6.833 7.957 ( -0.375 0.129 -0.168) 0.431 8.007 ( 8.849 -5.130 -2.057) 10.434 8.350 ( -1.753 -0.130 -0.617) 1.863 8.414 ( -0.446 -1.828 0.281) 1.902 8.787 ( 4.563 6.286 -3.308) 8.442 8.836 ( -3.961 4.619 -0.444) 6.101 9.179 ( 3.225 -0.902 4.126) 5.314 9.500 ( 0.202 -0.460 -0.708) 0.868 11.066 ( 5.584 2.009 -2.623) 6.488 11.645 ( 3.704 0.609 0.568) 3.797 12.225 ( -4.016 0.025 0.048) 4.017 12.572 ( -1.672 -0.978 1.405) 2.393 12.883 ( -6.986 -2.357 -2.352) 7.739 13.118 ( 2.861 0.623 -0.662) 3.002 13.959 ( -8.997 -8.685 0.302) 12.509 14.233 ( -2.630 5.129 1.582) 5.977 22.455 ( 2.405 -0.678 -1.414) 2.871 22.575 ( 2.302 -0.160 1.495) 2.749 23.496 ( -1.814 0.273 0.815) 2.007 23.652 ( -1.183 0.147 0.704) 1.385 23.829 ( -2.046 0.030 -1.679) 2.646 24.409 ( -4.033 -1.943 2.711) 5.234 25.273 ( -2.720 5.930 6.296) 9.066 25.394 ( 5.155 0.569 -7.950) 9.492 25.648 ( 2.706 -0.508 -0.633) 2.825 26.788 ( -5.684 -3.268 -0.052) 6.557 29.228 ( -0.161 -1.085 5.873) 5.974 29.312 ( 1.095 0.965 -4.516) 4.746 29.957 ( -1.172 -1.099 2.167) 2.698 30.256 ( -0.376 1.931 -3.525) 4.037 46.660 ( -0.824 -0.333 3.045) 3.172 46.811 ( 2.822 2.472 -3.251) 4.964 89.140 ( -8.025 -0.418 -1.472) 8.169 89.386 ( 0.081 -1.279 1.175) 1.739 89.649 ( -3.571 0.501 -0.418) 3.630 90.653 ( -3.382 2.275 1.211) 4.251 ======================= Grid point 324 (157/196) ======================= q-point: (-0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.891 2.653 12.282) 12.597 2.066 ( 6.842 15.086 -0.792) 16.584 2.316 ( -3.039 3.852 1.526) 5.138 2.815 ( -3.752 2.561 3.690) 5.853 2.976 ( 0.485 -1.229 3.360) 3.610 3.178 ( 11.939 10.187 -6.097) 16.837 3.565 ( -7.189 3.955 -1.760) 8.392 3.609 ( -1.456 1.208 -1.815) 2.622 3.993 ( -9.288 -0.290 3.808) 10.043 4.236 ( -10.193 5.924 5.072) 12.834 4.247 ( -3.063 9.690 4.618) 11.163 5.055 ( -5.188 -1.215 0.029) 5.329 5.643 ( 4.082 -5.612 -5.296) 8.730 5.673 ( -6.380 2.084 -0.117) 6.712 6.136 ( 7.868 -9.300 -1.703) 12.300 6.391 ( 7.162 10.971 -7.598) 15.146 7.165 ( 0.768 1.106 0.841) 1.588 7.342 ( -5.077 -1.550 4.574) 7.007 7.950 ( -0.925 1.844 -0.062) 2.064 8.186 ( 7.937 -5.293 -2.539) 9.871 8.292 ( -0.846 1.355 -0.959) 1.863 8.485 ( 1.887 -4.038 -1.382) 4.667 8.612 ( -10.282 7.600 -1.528) 12.877 8.813 ( 6.285 1.383 2.188) 6.797 9.302 ( 3.865 -1.301 5.068) 6.505 9.478 ( -1.172 0.507 -3.621) 3.840 11.132 ( 8.789 1.275 -2.633) 9.264 11.733 ( 6.883 0.826 3.549) 7.788 12.147 ( -7.054 -0.970 -0.865) 7.172 12.542 ( -3.507 0.274 0.138) 3.520 12.803 ( -5.348 -2.643 -2.641) 6.524 13.140 ( 1.129 -0.454 -0.711) 1.410 13.909 ( -13.252 -8.621 0.324) 15.813 14.115 ( -5.209 4.892 -0.732) 7.183 22.510 ( 4.685 -1.457 -1.416) 5.107 22.642 ( 4.616 -0.511 1.766) 4.969 23.463 ( -2.274 0.624 0.678) 2.454 23.631 ( -2.140 0.223 1.055) 2.396 23.806 ( -2.388 -0.869 2.410) 3.503 24.357 ( -7.055 -1.027 -1.089) 7.212 25.203 ( -3.786 5.629 6.807) 9.610 25.362 ( 2.230 3.034 -9.080) 9.830 25.701 ( 5.148 -0.877 -1.229) 5.364 26.745 ( -7.266 -5.910 -1.919) 9.561 29.292 ( 1.794 -0.521 4.247) 4.639 29.299 ( 1.672 0.436 -0.337) 1.761 29.968 ( -0.976 -1.105 1.435) 2.057 30.201 ( -2.135 1.014 -1.660) 2.888 46.663 ( -1.476 0.661 3.028) 3.433 46.783 ( 1.797 3.467 -3.384) 5.167 89.014 ( -9.186 -0.911 -0.725) 9.259 89.366 ( -9.965 -5.721 -0.971) 11.532 89.605 ( 0.946 3.340 2.093) 4.053 90.525 ( -7.486 2.869 -5.726) 9.852 ======================= Grid point 325 (158/196) ======================= q-point: (-0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -3.601 2.776 19.534) 20.056 1.930 ( 5.080 21.204 1.859) 21.883 2.228 ( -6.457 -0.266 0.041) 6.463 2.708 ( -5.258 6.546 -1.627) 8.552 2.988 ( -2.056 3.516 3.361) 5.281 3.131 ( 2.644 14.810 -5.386) 15.979 3.366 ( -8.481 1.347 4.663) 9.772 3.593 ( 0.999 0.502 1.416) 1.804 3.855 ( -7.506 11.370 -0.894) 13.653 3.896 ( -11.304 1.515 2.743) 11.730 4.347 ( 5.905 3.693 9.323) 11.637 4.975 ( -2.621 3.912 0.580) 4.744 5.530 ( -6.633 3.054 -2.007) 7.573 5.693 ( 2.453 -1.331 -8.029) 8.500 6.340 ( 3.873 1.014 -1.698) 4.348 6.382 ( 10.138 -10.368 -6.879) 16.050 7.131 ( 0.549 3.961 -1.132) 4.156 7.337 ( -2.847 -0.020 3.735) 4.696 7.888 ( -0.320 5.478 1.537) 5.698 8.216 ( -7.402 4.580 1.964) 8.923 8.291 ( 2.138 -1.766 -4.305) 5.121 8.441 ( -3.465 -0.637 -1.531) 3.842 8.563 ( 5.719 -4.093 -1.353) 7.162 8.968 ( 8.733 -2.328 5.482) 10.571 9.322 ( -7.295 -1.013 -0.502) 7.382 9.441 ( 2.610 1.320 -2.244) 3.687 11.248 ( 11.515 0.798 -2.835) 11.886 11.830 ( 1.177 3.115 6.420) 7.233 12.060 ( -3.498 -3.420 -3.223) 5.858 12.470 ( -6.210 0.423 0.628) 6.256 12.772 ( 0.508 -2.156 -3.209) 3.899 13.153 ( -0.303 -1.513 -1.320) 2.031 13.781 ( -16.944 -5.191 1.669) 17.800 13.962 ( -6.346 3.685 -3.270) 8.034 22.606 ( 6.223 -2.600 -1.091) 6.832 22.740 ( 4.831 -1.857 1.754) 5.464 23.438 ( -0.302 1.135 1.586) 1.973 23.610 ( -1.353 0.307 1.946) 2.390 23.803 ( -3.431 -1.306 3.687) 5.203 24.197 ( -11.381 2.201 -4.720) 12.516 25.115 ( -4.638 6.588 6.505) 10.355 25.270 ( 0.856 4.273 -8.782) 9.804 25.817 ( 8.951 -2.482 -0.587) 9.308 26.682 ( -10.640 -7.687 -4.033) 13.732 29.331 ( 4.819 0.545 0.485) 4.874 29.377 ( 2.333 -1.444 5.699) 6.325 29.974 ( -0.428 -0.537 0.225) 0.722 30.150 ( -3.966 -0.538 0.803) 4.082 46.645 ( -2.113 1.549 3.137) 4.087 46.734 ( 1.278 3.929 -3.508) 5.420 88.890 ( -8.271 -0.727 -0.639) 8.328 89.228 ( -18.087 -7.850 -2.675) 19.898 89.620 ( 3.780 4.692 4.457) 7.495 90.290 ( -8.955 5.867 -10.270) 14.836 ======================= Grid point 326 (159/196) ======================= q-point: (-0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 5.725 23.786 5.533) 25.083 1.850 ( -10.195 8.044 18.541) 22.636 2.106 ( -14.150 0.497 5.677) 15.254 2.425 ( -7.149 10.152 -13.002) 17.978 2.915 ( 2.600 6.543 1.387) 7.176 2.962 ( -7.025 7.671 9.033) 13.776 3.340 ( 5.020 7.062 -2.360) 8.979 3.539 ( -6.245 6.395 1.021) 8.997 3.685 ( 2.218 -0.346 -1.838) 2.901 3.820 ( -2.672 2.377 1.595) 3.916 4.459 ( 6.025 2.507 9.269) 11.336 4.894 ( -0.800 6.547 -1.229) 6.710 5.374 ( -6.042 5.002 0.907) 7.897 5.667 ( 3.049 -0.403 -12.765) 13.131 6.402 ( 0.997 -4.896 4.348) 6.624 6.608 ( 5.786 -13.895 -8.323) 17.199 7.096 ( 2.057 4.491 1.587) 5.188 7.290 ( -3.050 2.493 -0.866) 4.033 7.856 ( 1.725 7.028 8.565) 11.213 8.112 ( -0.050 1.207 1.129) 1.653 8.263 ( -1.435 1.312 -2.877) 3.472 8.382 ( -4.786 -1.304 -6.203) 7.942 8.738 ( 8.140 -5.431 1.562) 9.909 9.101 ( -4.880 -0.887 1.013) 5.062 9.226 ( 0.897 -2.152 1.099) 2.578 9.447 ( 0.856 0.216 -2.469) 2.622 11.400 ( 13.460 0.767 -3.246) 13.867 11.714 ( -13.345 3.286 3.723) 14.239 12.144 ( 8.511 -3.511 -1.571) 9.339 12.368 ( -9.038 -0.919 1.717) 9.246 12.829 ( 7.145 -0.933 -2.418) 7.600 13.122 ( -6.912 -2.027 -2.276) 7.554 13.603 ( -11.913 0.463 4.412) 12.712 13.800 ( -5.681 3.169 -4.997) 8.203 22.733 ( 6.260 -3.584 -0.047) 7.213 22.841 ( 1.556 -5.101 0.539) 5.360 23.454 ( 3.148 2.717 2.957) 5.103 23.629 ( 2.839 0.327 2.328) 3.686 23.782 ( -4.249 -1.050 1.695) 4.694 23.917 ( -13.719 6.410 -4.842) 15.898 25.014 ( -3.875 6.194 5.583) 9.195 25.168 ( 0.989 4.776 -7.612) 9.041 26.008 ( 11.552 -3.349 1.707) 12.148 26.553 ( -14.957 -7.005 -5.592) 17.437 29.418 ( 2.355 -1.422 4.766) 5.503 29.486 ( 7.425 -1.522 0.207) 7.582 29.987 ( 1.893 -0.891 0.141) 2.097 30.108 ( -5.612 -1.661 2.443) 6.342 46.611 ( -2.518 2.073 3.368) 4.689 46.680 ( 1.439 3.629 -3.546) 5.274 88.800 ( -3.343 -0.254 -0.960) 3.487 89.010 ( -19.899 -5.452 -2.101) 20.739 89.645 ( 2.326 4.936 5.914) 8.047 90.009 ( -5.506 8.657 -10.477) 14.664 ======================= Grid point 327 (160/196) ======================= q-point: (-0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -14.441 18.984 12.116) 26.753 1.633 ( 12.319 22.690 7.266) 26.822 2.014 ( -5.401 -3.401 7.654) 9.966 2.236 ( 2.028 2.104 -12.318) 12.660 2.776 ( -10.929 9.670 15.856) 21.548 2.934 ( 1.934 5.660 -0.211) 5.985 3.321 ( 7.749 3.082 0.330) 8.346 3.461 ( 4.179 1.819 -9.927) 10.923 3.723 ( 4.629 2.521 -0.642) 5.310 3.754 ( -1.874 2.429 -1.944) 3.632 4.582 ( 4.323 1.849 8.445) 9.666 4.750 ( -3.708 5.983 -6.247) 9.412 5.292 ( -3.503 2.817 9.965) 10.932 5.595 ( 2.395 1.616 -16.680) 16.928 6.535 ( -4.434 -10.271 11.023) 15.706 6.752 ( 1.175 -11.279 -8.902) 14.416 7.088 ( -2.051 3.778 5.407) 6.907 7.202 ( 1.496 3.761 -5.255) 6.633 7.910 ( 4.620 3.776 12.591) 13.933 8.135 ( -0.594 1.748 -2.785) 3.341 8.223 ( -10.915 0.613 -6.316) 12.625 8.262 ( 10.945 -0.631 -4.127) 11.714 8.918 ( 5.650 -3.273 2.957) 7.168 8.980 ( -6.251 -1.996 -2.925) 7.184 9.332 ( 3.312 -0.689 4.239) 5.424 9.420 ( -1.987 -1.117 -4.034) 4.634 11.464 ( -14.185 1.901 5.661) 15.391 11.598 ( 15.127 1.599 -6.853) 16.684 12.263 ( -9.669 -2.544 2.712) 10.359 12.307 ( 8.067 -2.775 -1.291) 8.628 12.911 ( -9.736 -0.796 3.711) 10.450 12.988 ( 4.465 1.090 -3.512) 5.785 13.552 ( 2.116 2.350 5.222) 6.105 13.665 ( -1.298 3.273 -5.529) 6.555 22.851 ( 0.141 -4.452 2.914) 5.323 22.907 ( -1.355 -6.676 -2.286) 7.186 23.490 ( 3.891 5.140 4.368) 7.787 23.578 ( -7.076 6.724 -3.753) 10.458 23.727 ( -5.813 -0.634 2.905) 6.530 23.787 ( 11.074 0.228 -3.028) 11.483 24.947 ( -1.676 3.875 5.496) 6.931 25.078 ( 2.078 4.788 -6.875) 8.632 26.238 ( 7.279 -3.813 5.866) 10.096 26.358 ( -11.942 -3.450 -5.349) 13.532 29.474 ( -2.098 -1.338 5.093) 5.669 29.591 ( 5.642 -1.286 -5.910) 8.271 30.033 ( -7.553 -2.211 4.480) 9.056 30.111 ( 9.511 -2.778 -2.590) 10.241 46.574 ( -2.362 1.988 3.352) 4.557 46.643 ( 2.135 2.544 -3.154) 4.580 88.807 ( -8.363 -1.074 0.686) 8.460 88.819 ( 5.257 -0.532 -0.521) 5.309 89.641 ( -1.098 5.070 7.228) 8.897 89.806 ( 0.257 6.587 -8.498) 10.755 ======================= Grid point 330 (161/196) ======================= q-point: ( 0.20 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 3.197 0.000 5.697) 6.533 2.030 ( 6.788 0.000 -15.518) 16.937 2.591 ( 11.171 0.000 -6.485) 12.917 2.610 ( 4.642 0.000 11.910) 12.782 2.962 ( 6.267 0.000 4.532) 7.734 3.063 ( 16.430 0.000 -4.179) 16.953 3.582 ( 4.378 0.000 0.750) 4.442 3.606 ( 1.306 0.000 0.525) 1.408 3.921 ( 3.741 0.000 -5.461) 6.619 4.104 ( 8.979 0.000 -6.366) 11.007 4.303 ( 13.087 0.000 -17.329) 21.716 4.630 ( 5.166 0.000 3.226) 6.090 5.576 ( 10.617 0.000 -1.793) 10.767 5.631 ( -5.428 -0.000 10.427) 11.755 6.330 ( -13.676 -0.000 10.960) 17.526 6.512 ( -3.207 -0.000 -2.408) 4.011 7.010 ( -3.257 -0.000 5.451) 6.351 7.191 ( 7.379 0.000 -1.195) 7.475 7.736 ( 3.921 0.000 -1.385) 4.158 8.257 ( -9.444 -0.000 -1.281) 9.530 8.308 ( 0.922 0.000 -0.387) 1.000 8.544 ( 1.672 0.000 5.207) 5.469 8.545 ( 2.641 0.000 0.918) 2.796 8.994 ( 0.002 0.000 -9.505) 9.505 9.296 ( -2.282 -0.000 -2.025) 3.051 9.503 ( -0.269 -0.000 3.752) 3.761 11.103 ( -0.339 -0.000 -0.496) 0.600 11.728 ( -2.856 -0.000 -7.745) 8.254 12.264 ( 2.312 0.000 1.535) 2.775 12.406 ( 1.562 0.000 7.269) 7.435 13.044 ( 7.406 0.000 -3.397) 8.147 13.045 ( -5.114 -0.000 -1.755) 5.406 13.866 ( -1.505 -0.000 1.266) 1.967 14.283 ( 4.855 0.000 8.855) 10.099 22.515 ( -5.873 -0.000 -2.229) 6.281 22.568 ( -3.348 -0.000 1.471) 3.657 23.495 ( -0.329 -0.000 3.370) 3.386 23.649 ( 1.381 0.000 -1.485) 2.028 23.978 ( 0.162 0.000 -9.335) 9.336 24.289 ( 5.018 0.000 9.832) 11.039 25.143 ( 10.028 0.000 -2.680) 10.379 25.419 ( 8.460 0.000 1.306) 8.561 25.626 ( -6.840 -0.000 1.046) 6.920 26.901 ( -6.190 -0.000 7.425) 9.667 29.174 ( -2.521 -0.000 1.073) 2.740 29.417 ( -1.034 -0.000 -5.621) 5.715 29.900 ( -0.642 -0.000 3.987) 4.038 30.408 ( 2.124 0.000 -8.948) 9.197 46.582 ( 0.460 0.000 2.972) 3.007 46.776 ( 5.393 0.000 -2.760) 6.058 89.257 ( 8.620 0.000 -2.707) 9.035 89.402 ( -5.545 -0.000 -5.079) 7.519 89.704 ( 0.563 0.000 2.441) 2.505 90.493 ( 12.744 0.000 22.070) 25.485 ======================= Grid point 331 (162/196) ======================= q-point: ( 0.30 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 3.420 4.269 -7.232) 9.068 2.068 ( 3.279 -3.353 1.151) 4.829 2.616 ( 11.571 11.397 -4.759) 16.924 2.757 ( 4.492 -0.431 3.389) 5.644 3.064 ( 5.374 4.549 4.580) 8.399 3.245 ( 9.750 -1.079 -3.623) 10.457 3.634 ( 1.531 0.154 2.496) 2.932 3.694 ( 3.891 -5.698 -0.962) 6.966 3.944 ( 3.191 -1.643 -1.027) 3.733 4.161 ( 6.050 -1.056 -6.523) 8.959 4.383 ( 12.567 2.641 -11.150) 17.006 4.822 ( 9.309 -10.776 -0.319) 14.244 5.515 ( -17.039 2.778 7.760) 18.928 5.711 ( 4.832 -2.739 -0.801) 5.612 6.181 ( -6.209 8.908 8.543) 13.816 6.562 ( 4.721 -6.379 0.500) 7.951 6.976 ( -1.834 4.201 3.556) 5.801 7.310 ( 5.276 -4.705 -3.289) 7.797 7.807 ( 4.990 -1.275 -0.533) 5.178 8.091 ( -10.051 1.654 0.135) 10.187 8.266 ( -1.637 -0.521 -1.523) 2.296 8.538 ( -4.830 0.788 0.527) 4.922 8.714 ( 12.906 -0.950 4.385) 13.664 8.964 ( 5.298 2.659 -6.026) 8.452 9.244 ( -2.888 0.523 -1.788) 3.436 9.499 ( -2.563 0.599 3.465) 4.352 11.105 ( 2.462 1.387 -0.912) 2.970 11.653 ( 0.557 0.220 -7.267) 7.291 12.278 ( -1.358 0.491 1.545) 2.115 12.485 ( 0.965 -1.471 5.819) 6.079 12.946 ( -6.393 -0.610 -3.263) 7.203 13.102 ( 3.586 0.453 -1.650) 3.973 13.836 ( -5.656 -2.755 0.672) 6.327 14.358 ( -0.662 1.454 6.445) 6.640 22.445 ( -1.508 -0.132 -2.420) 2.855 22.550 ( -0.714 0.001 1.700) 1.844 23.508 ( -1.078 0.108 3.372) 3.542 23.657 ( 0.767 -0.061 -0.849) 1.146 23.903 ( -1.527 0.349 -7.588) 7.748 24.371 ( -2.110 -0.516 7.311) 7.627 25.294 ( 10.793 -0.804 -1.575) 10.937 25.478 ( -1.082 3.347 3.289) 4.815 25.589 ( 2.579 -0.450 -0.944) 2.782 26.821 ( -8.929 -0.446 2.261) 9.221 29.174 ( -1.106 -0.272 4.903) 5.034 29.368 ( -0.304 0.459 -4.441) 4.475 29.921 ( -0.909 -0.468 3.775) 3.911 30.359 ( 1.024 1.091 -8.217) 8.352 46.616 ( 0.755 -0.452 2.981) 3.108 46.830 ( 5.115 0.492 -3.213) 6.060 89.269 ( -6.391 0.620 -4.143) 7.642 89.345 ( 2.902 -0.302 1.113) 3.123 89.702 ( -1.287 0.221 -0.731) 1.496 90.722 ( 1.743 2.188 16.020) 16.262 ======================= Grid point 332 (163/196) ======================= q-point: ( 0.40 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 3.848 6.596 -2.855) 8.152 2.183 ( 4.897 -2.166 3.062) 6.168 2.613 ( 11.354 12.111 -1.542) 16.673 2.824 ( 2.876 0.233 1.379) 3.198 3.049 ( 1.578 8.295 0.529) 8.460 3.329 ( 4.382 1.195 1.260) 4.714 3.644 ( -2.426 0.144 0.287) 2.447 3.766 ( 5.707 0.821 -6.118) 8.406 4.013 ( 3.026 0.543 -0.034) 3.075 4.223 ( 3.788 -0.368 -0.315) 3.818 4.482 ( 8.136 -4.317 -4.990) 10.475 5.044 ( -4.851 -5.973 2.699) 8.154 5.277 ( -8.111 -4.011 -1.100) 9.115 5.744 ( -5.757 -4.410 -0.774) 7.293 6.088 ( 1.074 9.499 8.086) 12.521 6.741 ( 14.582 3.472 -6.311) 16.264 6.935 ( -4.914 -2.896 8.251) 10.031 7.366 ( -1.224 -3.045 -3.978) 5.157 7.911 ( 7.646 -2.531 -1.860) 8.266 7.969 ( -3.450 0.819 0.449) 3.574 8.291 ( 2.646 -2.375 -0.332) 3.571 8.429 ( -6.742 0.957 -0.979) 6.880 8.909 ( 7.245 1.863 1.429) 7.616 8.954 ( 3.576 5.447 -2.639) 7.030 9.187 ( -0.939 1.226 2.649) 3.066 9.487 ( -1.022 -0.482 1.025) 1.525 11.129 ( 5.730 2.634 -1.776) 6.552 11.646 ( 4.604 -0.413 -4.981) 6.795 12.238 ( -4.670 0.750 1.575) 4.985 12.537 ( -1.541 -1.559 3.759) 4.352 12.836 ( -6.267 -1.315 -4.324) 7.727 13.116 ( -0.656 -0.593 -0.242) 0.917 13.786 ( -8.412 -5.017 0.882) 9.834 14.328 ( -4.570 2.602 3.271) 6.193 22.437 ( 1.979 -0.663 -2.369) 3.157 22.571 ( 1.735 -0.143 1.684) 2.423 23.510 ( -1.056 0.723 2.841) 3.116 23.657 ( -0.336 0.209 0.022) 0.397 23.825 ( -2.788 -0.285 -4.678) 5.453 24.367 ( -5.508 -1.325 5.031) 7.577 25.411 ( 1.432 2.761 3.163) 4.436 25.423 ( 3.978 3.002 -2.826) 5.730 25.640 ( 4.033 0.247 -0.648) 4.092 26.710 ( -9.205 -2.833 -1.085) 9.693 29.211 ( -0.589 -0.374 7.427) 7.460 29.336 ( 0.814 0.836 -3.253) 3.456 29.935 ( -1.461 -0.614 2.949) 3.348 30.299 ( 0.233 1.298 -7.004) 7.127 46.653 ( 0.569 -0.220 3.074) 3.134 46.861 ( 4.232 1.506 -3.709) 5.825 89.131 ( -8.463 -0.308 -2.975) 8.976 89.367 ( -3.744 -0.250 3.439) 5.090 89.669 ( -0.068 0.741 -1.920) 2.059 90.740 ( -4.704 3.824 7.416) 9.579 ======================= Grid point 333 (164/196) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 4.976 6.529 5.065) 9.646 2.269 ( 4.383 3.211 1.713) 5.697 2.619 ( 10.400 13.676 0.615) 17.193 2.854 ( -0.955 0.975 4.297) 4.509 2.970 ( 0.907 4.446 -0.319) 4.549 3.375 ( 3.255 2.808 3.196) 5.357 3.563 ( -4.565 0.964 -4.874) 6.747 3.774 ( 7.646 6.349 -6.514) 11.883 3.977 ( -6.116 0.911 -0.568) 6.210 4.292 ( 3.191 2.299 7.585) 8.544 4.482 ( -10.807 5.264 1.826) 12.159 4.933 ( -5.367 -6.181 -0.312) 8.191 5.429 ( 8.611 -11.497 -9.262) 17.091 5.656 ( -11.861 -3.275 1.214) 12.365 6.099 ( 5.193 5.864 7.788) 11.045 6.702 ( 7.258 12.525 -11.178) 18.289 7.081 ( 2.367 -7.471 7.860) 11.100 7.313 ( -4.367 -0.861 -2.797) 5.257 7.958 ( 1.459 -0.280 0.950) 1.763 8.071 ( 9.070 -3.763 -3.026) 10.275 8.318 ( -1.386 0.447 -1.469) 2.068 8.388 ( 1.392 -3.364 0.284) 3.652 8.818 ( -7.802 8.251 -0.676) 11.376 8.910 ( 2.949 5.553 -0.397) 6.300 9.275 ( 4.481 -0.752 6.240) 7.719 9.479 ( -0.736 -0.518 -2.575) 2.728 11.187 ( 9.132 2.895 -2.576) 9.920 11.727 ( 8.428 -1.243 -2.136) 8.783 12.147 ( -7.957 0.891 1.463) 8.140 12.530 ( -4.440 -1.059 2.176) 5.056 12.746 ( -3.904 -1.854 -4.697) 6.383 13.102 ( -3.504 -2.536 0.054) 4.325 13.729 ( -9.895 -5.611 1.979) 11.546 14.217 ( -7.449 3.226 0.473) 8.131 22.478 ( 4.349 -1.086 -2.237) 5.010 22.626 ( 3.346 -0.703 1.494) 3.732 23.498 ( -0.529 2.024 1.840) 2.786 23.639 ( -2.012 0.475 1.138) 2.360 23.776 ( -2.507 -1.613 -1.044) 3.159 24.320 ( -7.697 -1.730 2.706) 8.340 25.349 ( -2.264 5.729 4.845) 7.837 25.447 ( 5.556 3.562 -6.955) 9.588 25.690 ( 3.866 0.061 -0.047) 3.867 26.610 ( -9.519 -5.080 -2.606) 11.100 29.269 ( -0.105 -0.608 8.377) 8.400 29.327 ( 2.312 1.073 -1.932) 3.198 29.940 ( -1.668 -0.959 2.293) 2.993 30.233 ( -0.766 1.276 -5.834) 6.021 46.678 ( 0.015 0.547 3.241) 3.286 46.861 ( 3.074 2.659 -4.083) 5.762 88.993 ( -8.754 -0.769 -2.067) 9.028 89.277 ( -12.498 -1.719 2.035) 12.779 89.678 ( 4.306 2.352 0.755) 4.964 90.623 ( -7.415 4.496 0.011) 8.672 ======================= Grid point 334 (165/196) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 2.481 5.236 12.118) 13.432 2.256 ( 2.638 6.102 -1.728) 6.869 2.533 ( 5.834 21.431 2.487) 22.349 2.826 ( -3.432 2.853 3.825) 5.878 3.004 ( 2.831 -1.455 3.576) 4.787 3.384 ( -5.007 1.742 1.297) 5.458 3.459 ( 4.983 6.454 -4.424) 9.277 3.698 ( 0.728 10.256 -4.802) 11.348 3.864 ( -8.378 -2.075 2.068) 8.875 4.129 ( -14.265 8.614 1.189) 16.706 4.446 ( 6.736 4.320 9.583) 12.485 4.966 ( -1.410 -3.696 -1.494) 4.229 5.531 ( -9.579 -1.956 1.912) 9.962 5.587 ( 4.914 -8.952 -11.902) 15.683 6.190 ( 4.793 -0.051 6.180) 7.821 6.564 ( 6.136 11.316 -11.433) 17.216 7.195 ( 2.672 0.459 -2.654) 3.794 7.277 ( -3.695 -3.962 4.825) 7.254 7.975 ( 0.114 1.869 2.494) 3.119 8.207 ( 5.764 -3.780 -3.231) 7.613 8.302 ( 1.612 1.708 -2.513) 3.439 8.450 ( -0.042 -2.555 -0.831) 2.687 8.582 ( -6.093 8.307 1.025) 10.353 8.946 ( 6.539 0.862 3.835) 7.630 9.313 ( -5.058 0.316 0.333) 5.079 9.456 ( 0.514 -0.178 -2.012) 2.085 11.289 ( 12.017 2.368 -2.747) 12.552 11.876 ( 10.281 -0.759 0.705) 10.333 12.005 ( -11.175 0.322 0.164) 11.181 12.463 ( -8.591 -0.825 1.997) 8.859 12.720 ( 2.238 -2.001 -4.403) 5.329 13.083 ( -4.773 -4.222 -0.456) 6.389 13.664 ( -9.729 -3.857 3.586) 11.063 14.051 ( -8.846 3.215 -1.833) 9.588 22.554 ( 5.712 -1.620 -1.870) 6.224 22.697 ( 2.721 -1.598 1.167) 3.365 23.484 ( 1.120 2.374 1.960) 3.276 23.618 ( -1.241 0.505 2.532) 2.865 23.766 ( -2.304 -1.868 0.666) 3.040 24.213 ( -10.620 -0.506 -0.173) 10.634 25.276 ( -2.669 6.517 5.312) 8.821 25.401 ( 3.840 5.691 -8.321) 10.788 25.768 ( 6.344 -1.330 0.323) 6.490 26.513 ( -10.937 -6.217 -3.322) 13.012 29.336 ( 0.344 -0.580 6.394) 6.429 29.358 ( 4.291 0.359 1.000) 4.420 29.945 ( -1.729 -1.345 2.181) 3.091 30.162 ( -1.709 1.060 -4.780) 5.186 46.684 ( -0.716 1.559 3.466) 3.867 46.829 ( 2.037 3.567 -4.277) 5.930 88.871 ( -7.184 -0.748 -1.625) 7.403 89.104 ( -15.591 -2.617 0.839) 15.832 89.729 ( 5.430 3.929 3.553) 7.586 90.429 ( -7.908 5.405 -5.382) 10.987 ======================= Grid point 335 (166/196) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -3.990 5.193 15.441) 16.772 2.192 ( 0.130 5.701 -2.698) 6.309 2.351 ( 5.542 23.300 5.568) 24.589 2.724 ( -2.338 9.683 -4.737) 11.030 3.047 ( -0.426 4.418 4.646) 6.425 3.162 ( -10.238 9.109 3.700) 14.195 3.497 ( 11.071 6.299 -5.063) 13.707 3.632 ( 1.689 -1.577 2.330) 3.282 3.742 ( -11.960 4.120 -0.450) 12.657 3.902 ( -0.954 6.426 -2.119) 6.833 4.552 ( 4.872 4.847 11.005) 12.974 4.958 ( -2.776 -0.875 0.592) 2.970 5.429 ( -8.035 -0.655 0.395) 8.071 5.639 ( 3.018 -3.867 -10.617) 11.696 6.310 ( 1.678 -5.828 1.961) 6.374 6.460 ( 6.018 6.746 -9.469) 13.092 7.185 ( 2.542 2.504 -1.398) 3.832 7.298 ( -3.823 -1.794 2.445) 4.880 7.983 ( 1.995 2.611 4.678) 5.717 8.209 ( -4.122 5.099 1.109) 6.650 8.267 ( 0.636 0.529 -3.608) 3.702 8.377 ( -2.627 0.977 -2.832) 3.985 8.630 ( 9.917 -2.483 1.245) 10.299 9.072 ( -1.434 -1.257 2.010) 2.771 9.194 ( -1.246 -0.070 -1.547) 1.988 9.443 ( -2.139 -0.590 -1.638) 2.758 11.434 ( 13.807 1.847 -2.290) 14.116 11.796 ( -14.063 2.949 2.335) 14.558 12.062 ( 10.820 -2.797 -1.606) 11.291 12.339 ( -11.597 -1.158 2.167) 11.854 12.795 ( 7.081 -1.900 -1.777) 7.543 13.047 ( -7.196 -4.334 -1.554) 8.543 13.606 ( -5.062 -0.153 5.167) 7.234 13.871 ( -7.435 2.588 -3.934) 8.801 22.655 ( 5.993 -2.571 -1.237) 6.638 22.747 ( -0.894 -2.789 0.849) 3.049 23.515 ( 3.527 1.647 4.002) 5.583 23.644 ( 3.916 1.141 2.848) 4.974 23.751 ( -2.699 -1.402 -0.406) 3.068 24.017 ( -13.338 2.196 -2.504) 13.748 25.183 ( -4.055 7.255 6.032) 10.270 25.316 ( 4.148 6.829 -8.998) 12.034 25.922 ( 9.756 -3.360 1.840) 10.481 26.390 ( -13.002 -6.094 -3.848) 14.866 29.392 ( 0.471 -0.780 5.659) 5.731 29.448 ( 6.030 -1.247 0.387) 6.170 29.955 ( -1.604 -1.496 2.624) 3.420 30.094 ( -2.038 0.386 -3.614) 4.167 46.670 ( -1.409 2.493 3.720) 4.695 46.776 ( 1.477 3.923 -4.277) 5.989 88.792 ( -2.541 -0.323 -1.382) 2.911 88.920 ( -13.952 -2.073 0.766) 14.126 89.779 ( 4.524 5.478 5.712) 9.116 90.197 ( -6.337 6.674 -8.616) 12.607 ======================= Grid point 336 (167/196) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -5.507 5.848 13.663) 15.850 2.050 ( -7.858 12.431 11.308) 18.551 2.246 ( 13.279 19.046 -3.262) 23.447 2.430 ( 1.492 17.837 -13.497) 22.418 3.000 ( -7.258 7.458 8.104) 13.189 3.033 ( 1.896 3.563 3.756) 5.513 3.439 ( -9.611 5.129 1.527) 11.001 3.591 ( 13.206 7.803 -10.098) 18.364 3.738 ( 3.846 -1.766 3.501) 5.492 3.828 ( 0.858 3.830 -4.742) 6.156 4.644 ( 3.593 3.060 12.203) 13.083 4.868 ( -6.709 3.199 -5.606) 9.310 5.351 ( -6.127 0.568 9.213) 11.079 5.635 ( 4.420 0.178 -12.163) 12.942 6.357 ( -4.409 -3.643 2.432) 6.215 6.482 ( 4.484 -6.749 -7.420) 10.987 7.172 ( -3.788 2.501 4.681) 6.520 7.269 ( 3.002 1.625 -3.941) 5.214 8.014 ( -0.691 3.349 9.447) 10.047 8.157 ( 1.580 1.539 2.662) 3.457 8.230 ( -1.198 -0.129 -5.540) 5.670 8.304 ( 1.680 3.410 -6.852) 7.836 8.830 ( 5.011 -3.154 4.102) 7.203 8.928 ( -5.147 -1.535 -5.258) 7.516 9.311 ( 5.733 -0.939 3.611) 6.840 9.385 ( -4.527 -1.665 -3.258) 5.821 11.527 ( -11.138 2.948 4.990) 12.556 11.642 ( 12.007 1.741 -5.731) 13.418 12.201 ( -11.911 -2.119 2.739) 12.404 12.241 ( 10.052 -2.366 -0.968) 10.372 12.876 ( -8.060 -2.340 5.457) 10.011 12.991 ( 4.799 -1.077 -5.233) 7.182 13.615 ( 2.846 2.428 5.631) 6.761 13.736 ( -1.688 2.112 -5.843) 6.438 22.747 ( -3.629 -3.635 1.174) 5.269 22.770 ( 3.022 -4.249 -0.832) 5.280 23.593 ( 5.051 1.831 6.091) 8.121 23.690 ( -1.773 2.000 -1.178) 2.921 23.756 ( -8.027 3.511 0.183) 8.763 23.780 ( 5.282 -0.318 -3.264) 6.218 25.080 ( -3.738 6.635 6.024) 9.710 25.231 ( 4.816 7.220 -8.527) 12.166 26.129 ( 2.591 -4.590 5.960) 7.956 26.251 ( -5.450 -4.864 -5.350) 9.054 29.437 ( -2.265 -1.484 5.427) 6.065 29.549 ( 6.093 -1.911 -4.744) 7.955 29.977 ( -2.884 -1.951 4.441) 5.644 30.060 ( 2.231 -1.201 -3.312) 4.169 46.638 ( -1.848 3.050 3.845) 5.244 46.721 ( 1.632 3.566 -3.968) 5.579 88.784 ( -6.622 -0.641 1.221) 6.764 88.807 ( 5.538 -0.380 -0.924) 5.628 89.796 ( 0.785 6.984 7.938) 10.602 89.982 ( -1.318 7.007 -9.810) 12.127 ======================= Grid point 337 (168/196) ======================= q-point: (-0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -6.151 19.775 6.791) 21.795 2.016 ( 0.853 0.789 13.883) 13.931 2.181 ( 10.911 13.010 -9.222) 19.322 2.330 ( 18.858 13.204 -5.540) 23.678 2.829 ( -9.359 8.670 9.254) 15.761 2.988 ( -5.369 5.913 3.157) 8.588 3.392 ( 7.348 -3.345 -3.190) 8.680 3.622 ( 13.560 10.053 -8.700) 18.990 3.723 ( -2.860 1.758 -3.928) 5.167 3.848 ( 8.439 2.355 -1.638) 8.913 4.644 ( -9.341 3.327 -7.935) 12.700 4.737 ( 1.905 3.994 10.830) 11.699 5.359 ( -3.209 1.404 14.117) 14.545 5.577 ( 4.837 4.586 -14.096) 15.592 6.369 ( -10.007 -9.016 8.290) 15.816 6.581 ( 1.051 -10.217 -6.712) 12.270 7.088 ( -5.190 2.871 2.647) 6.495 7.283 ( 4.022 4.452 -0.542) 6.024 7.993 ( -7.314 0.910 0.604) 7.395 8.133 ( 1.874 4.417 -1.608) 5.060 8.179 ( 3.820 3.852 0.557) 5.453 8.348 ( 6.666 -3.153 -2.531) 7.796 8.770 ( -9.392 -5.590 -1.197) 10.995 9.084 ( 12.904 -0.869 1.706) 13.045 9.281 ( -7.895 -3.197 -3.158) 9.084 9.409 ( 2.605 0.806 1.126) 2.950 11.327 ( -11.755 2.314 2.870) 12.319 11.816 ( 16.314 1.873 -5.251) 17.240 12.088 ( -11.077 -3.711 3.629) 12.233 12.381 ( 4.777 -0.497 0.774) 4.865 12.768 ( -7.056 -1.038 2.668) 7.615 13.095 ( 5.673 -0.931 0.406) 5.763 13.688 ( 6.534 2.157 2.308) 7.257 13.717 ( 8.645 2.944 -2.935) 9.593 22.720 ( -7.317 -4.603 1.111) 8.716 22.844 ( -1.287 -3.948 0.130) 4.154 23.511 ( -6.648 4.718 -2.144) 8.429 23.665 ( -0.938 1.207 -1.053) 1.856 23.710 ( 8.049 2.288 6.242) 10.440 23.930 ( 11.912 -0.090 -4.168) 12.621 25.021 ( -0.613 3.965 5.957) 7.182 25.158 ( 5.460 7.012 -7.758) 11.797 26.026 ( -15.209 -3.892 0.459) 15.706 26.441 ( 12.257 -4.314 4.542) 13.764 29.428 ( -5.566 -1.352 2.439) 6.226 29.579 ( 1.953 -0.953 -7.440) 7.751 29.950 ( -4.679 0.030 2.968) 5.541 30.176 ( 8.678 -5.462 -3.084) 10.708 46.600 ( -1.776 2.959 3.593) 4.982 46.686 ( 2.477 2.578 -3.256) 4.836 88.782 ( 4.780 -0.709 0.674) 4.879 88.975 ( 15.239 -2.464 1.311) 15.493 89.719 ( -4.584 5.954 2.739) 7.998 89.884 ( 5.693 8.074 -2.239) 10.130 ======================= Grid point 341 (169/196) ======================= q-point: ( 0.30 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 10.368 0.000 -8.871) 13.646 2.103 ( 0.581 0.000 9.424) 9.442 2.778 ( -1.774 -0.000 4.322) 4.672 2.822 ( 12.458 0.000 -11.535) 16.978 3.246 ( 1.865 0.000 12.967) 13.100 3.314 ( 7.070 0.000 -6.280) 9.457 3.647 ( 0.443 0.000 -3.876) 3.901 3.706 ( 2.435 0.000 2.552) 3.527 4.045 ( 10.123 0.000 4.910) 11.251 4.159 ( 2.650 0.000 -7.734) 8.176 4.518 ( 11.515 0.000 -9.923) 15.201 4.882 ( 10.589 0.000 -2.330) 10.842 5.258 ( -25.918 -0.000 5.864) 26.573 5.686 ( -4.758 -0.000 -0.456) 4.780 6.256 ( -1.843 -0.000 9.832) 10.003 6.650 ( 10.399 0.000 6.482) 12.253 7.009 ( 1.141 0.000 -3.629) 3.805 7.300 ( 2.308 0.000 -6.828) 7.208 7.881 ( 7.348 0.000 -1.669) 7.535 7.983 ( -5.296 -0.000 0.438) 5.314 8.261 ( 2.525 0.000 -0.576) 2.590 8.441 ( -7.553 -0.000 -1.257) 7.657 8.926 ( 10.887 0.000 3.387) 11.402 9.030 ( 4.242 0.000 -2.869) 5.121 9.207 ( -1.782 -0.000 1.513) 2.338 9.481 ( -2.579 -0.000 1.988) 3.256 11.167 ( 5.504 0.000 -0.664) 5.544 11.638 ( 5.012 0.000 -8.104) 9.529 12.249 ( -4.822 -0.000 2.333) 5.357 12.514 ( -1.502 -0.000 4.902) 5.127 12.820 ( -5.686 -0.000 -5.424) 7.858 13.105 ( -2.750 -0.000 0.172) 2.756 13.723 ( -7.512 -0.000 0.750) 7.549 14.360 ( -5.347 -0.000 4.123) 6.752 22.428 ( 1.890 0.000 -2.598) 3.212 22.569 ( 1.447 0.000 1.645) 2.191 23.521 ( -0.716 -0.000 4.123) 4.184 23.660 ( 0.395 0.000 -0.769) 0.865 23.820 ( -3.368 -0.000 -5.856) 6.755 24.350 ( -6.130 -0.000 5.603) 8.305 25.433 ( 9.594 0.000 -1.658) 9.737 25.470 ( -3.841 -0.000 3.733) 5.357 25.653 ( 5.256 0.000 -1.127) 5.376 26.670 ( -10.682 -0.000 -1.682) 10.813 29.207 ( -0.778 -0.000 8.087) 8.124 29.347 ( 0.598 0.000 -2.851) 2.913 29.928 ( -1.470 -0.000 3.325) 3.636 30.315 ( 0.372 0.000 -8.326) 8.335 46.650 ( 1.150 0.000 3.023) 3.234 46.880 ( 4.710 0.000 -3.817) 6.062 89.127 ( -8.698 -0.000 -3.421) 9.347 89.366 ( -4.618 -0.000 4.293) 6.305 89.678 ( 1.081 0.000 -2.689) 2.898 90.795 ( -6.006 -0.000 9.915) 11.592 ======================= Grid point 342 (170/196) ======================= q-point: ( 0.40 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 7.762 8.343 2.891) 11.757 2.261 ( 8.391 -4.376 3.590) 10.122 2.755 ( -1.247 1.844 1.404) 2.631 2.877 ( 3.338 0.169 -4.415) 5.537 3.275 ( 10.322 12.903 -3.166) 16.824 3.332 ( -9.382 -1.923 11.299) 14.811 3.618 ( 1.309 1.594 -5.893) 6.243 3.775 ( 2.007 -4.847 -1.754) 5.532 4.087 ( 2.517 5.815 -5.661) 8.497 4.301 ( 7.103 -4.062 7.559) 11.140 4.558 ( 5.509 4.387 -4.202) 8.201 4.881 ( -15.887 2.660 1.912) 16.221 5.115 ( 6.110 -12.519 -6.801) 15.502 5.591 ( -9.308 -1.426 1.304) 9.506 6.283 ( 1.695 6.368 10.594) 12.476 6.881 ( 1.737 -6.233 11.361) 13.075 6.952 ( 8.047 6.325 -12.738) 16.340 7.272 ( -0.789 -2.102 -7.928) 8.239 7.960 ( 2.232 0.476 0.786) 2.414 8.003 ( 9.203 -1.797 -2.654) 9.745 8.312 ( 2.954 -0.647 -0.546) 3.073 8.340 ( -4.020 -0.545 0.077) 4.057 8.973 ( -3.343 3.615 -0.789) 4.987 9.027 ( -0.183 2.932 0.153) 2.942 9.266 ( 4.876 -0.072 6.735) 8.315 9.460 ( -1.487 -0.744 -1.674) 2.360 11.252 ( 8.528 1.800 -1.276) 8.809 11.689 ( 8.771 -1.218 -7.237) 11.436 12.174 ( -7.543 0.851 3.135) 8.213 12.503 ( -5.065 -0.813 3.675) 6.310 12.717 ( -2.262 -0.504 -7.075) 7.445 13.039 ( -7.950 -1.846 1.540) 8.306 13.640 ( -6.649 -1.696 1.971) 7.140 14.270 ( -8.678 1.070 1.392) 8.853 22.459 ( 4.365 -0.430 -2.491) 5.044 22.612 ( 2.624 -0.323 1.304) 2.948 23.546 ( 0.935 1.380 3.998) 4.332 23.652 ( -0.794 0.476 -0.411) 1.013 23.735 ( -4.063 -1.354 -3.391) 5.462 24.286 ( -8.090 -0.801 4.243) 9.171 25.444 ( -2.268 1.707 4.253) 5.113 25.524 ( 6.989 2.071 -4.074) 8.351 25.706 ( 3.857 0.920 -0.370) 3.982 26.509 ( -10.595 -2.595 -3.707) 11.521 29.262 ( -0.745 -0.103 9.718) 9.748 29.346 ( 1.885 0.405 -1.577) 2.490 29.926 ( -1.786 -0.226 2.484) 3.068 30.255 ( -0.200 0.442 -7.892) 7.907 46.688 ( 1.013 0.209 3.234) 3.396 46.907 ( 3.723 0.994 -4.370) 5.827 88.980 ( -8.530 -0.291 -2.595) 8.921 89.259 ( -13.064 -0.144 3.365) 13.492 89.716 ( 5.793 0.797 -0.186) 5.851 90.713 ( -8.998 2.173 3.014) 9.735 ======================= Grid point 343 (171/196) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 6.783 8.716 6.661) 12.898 2.414 ( 7.235 5.227 2.027) 9.153 2.763 ( 1.728 -2.896 1.357) 3.635 2.876 ( -2.152 0.196 3.913) 4.470 3.140 ( -4.339 11.380 1.522) 12.274 3.351 ( 2.979 0.502 1.868) 3.552 3.567 ( 0.358 1.696 -4.919) 5.216 3.827 ( 1.670 -1.480 -3.119) 3.835 3.972 ( -1.295 9.525 -4.385) 10.565 4.280 ( -16.061 4.069 6.502) 17.799 4.562 ( 7.356 5.188 5.483) 10.540 4.848 ( 5.891 -4.602 -3.130) 8.104 5.292 ( 3.186 -13.045 -10.493) 17.042 5.488 ( -8.061 -1.157 2.300) 8.462 6.308 ( 2.082 6.989 11.167) 13.338 6.804 ( 1.217 6.801 -10.364) 12.456 7.104 ( 4.626 -5.175 4.279) 8.154 7.226 ( -0.387 -1.352 -7.115) 7.252 8.002 ( 1.307 0.610 2.689) 3.051 8.136 ( 8.141 -1.863 -3.035) 8.886 8.321 ( 3.440 0.168 -2.276) 4.128 8.386 ( 2.936 -2.052 -0.318) 3.596 8.805 ( -8.151 7.947 1.856) 11.534 8.997 ( 0.952 2.482 2.998) 4.007 9.335 ( -1.893 1.383 1.488) 2.777 9.433 ( -1.042 -1.621 -1.882) 2.694 11.354 ( 11.067 2.588 -2.138) 11.565 11.809 ( 9.700 -3.236 -6.371) 12.048 12.058 ( -8.882 2.555 4.506) 10.282 12.437 ( -9.048 -1.115 2.929) 9.575 12.681 ( 3.378 -1.059 -6.962) 7.810 12.964 ( -9.221 -4.693 1.872) 10.514 13.599 ( -4.478 -1.519 3.522) 5.896 14.112 ( -10.522 1.700 -0.943) 10.700 22.524 ( 5.695 -0.819 -2.209) 6.163 22.664 ( 1.984 -0.988 0.918) 2.399 23.549 ( 0.397 2.926 0.800) 3.059 23.634 ( -0.377 0.672 3.179) 3.271 23.707 ( -1.630 -2.861 -1.209) 3.508 24.193 ( -9.740 -0.813 2.438) 10.074 25.415 ( -1.616 4.066 4.712) 6.430 25.529 ( 5.247 4.618 -6.771) 9.731 25.754 ( 4.049 0.118 0.852) 4.139 26.375 ( -10.504 -4.786 -4.177) 12.275 29.323 ( -0.837 -0.284 9.561) 9.601 29.372 ( 3.558 0.461 -0.588) 3.635 29.922 ( -1.575 -0.543 2.110) 2.688 30.185 ( -0.924 0.678 -7.278) 7.368 46.716 ( 0.437 0.960 3.567) 3.719 46.900 ( 2.500 2.107 -4.711) 5.734 88.857 ( -6.333 -0.377 -1.997) 6.651 89.073 ( -14.685 -0.369 2.043) 14.831 89.804 ( 6.979 2.111 2.779) 7.803 90.544 ( -9.114 3.614 -2.392) 10.092 ======================= Grid point 344 (172/196) ======================= q-point: (-0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 2.203 8.672 9.718) 13.210 2.378 ( 3.756 9.462 -3.154) 10.658 2.791 ( -7.264 10.159 8.611) 15.170 2.838 ( 1.706 0.221 0.429) 1.773 3.086 ( 4.878 -1.194 4.256) 6.583 3.379 ( 5.628 7.379 -2.348) 9.573 3.525 ( -2.733 -3.798 -5.062) 6.894 3.722 ( -11.591 10.645 4.270) 16.306 3.836 ( 4.665 4.214 -4.801) 7.910 4.073 ( -5.198 5.391 -1.596) 7.657 4.672 ( 6.417 4.350 9.956) 12.618 4.918 ( -0.742 -0.940 0.534) 1.311 5.362 ( -5.087 -6.356 -2.055) 8.396 5.454 ( 2.207 -7.150 -10.474) 12.872 6.324 ( -0.671 5.324 10.959) 12.202 6.666 ( 3.709 7.754 -12.594) 15.248 7.206 ( -1.646 -2.134 0.284) 2.709 7.218 ( 2.833 -2.775 -1.477) 4.232 8.020 ( -0.383 1.025 5.082) 5.199 8.221 ( 4.331 -0.794 -6.031) 7.468 8.340 ( 2.439 1.964 -2.018) 3.725 8.412 ( -3.171 0.593 0.274) 3.238 8.671 ( 3.809 5.909 3.977) 8.078 9.050 ( 1.758 -0.367 2.405) 3.001 9.226 ( -3.549 2.374 -3.376) 5.443 9.419 ( -3.950 -1.341 -0.314) 4.184 11.482 ( 12.485 1.938 -1.890) 12.775 11.829 ( -10.102 -0.648 -2.274) 10.375 12.032 ( 8.903 0.676 1.610) 9.073 12.315 ( -11.541 -0.805 2.433) 11.822 12.741 ( 6.231 -2.190 -2.946) 7.231 12.914 ( -7.526 -6.016 -0.236) 9.638 13.603 ( -0.179 -0.062 4.693) 4.696 13.925 ( -9.782 1.727 -2.802) 10.321 22.608 ( 5.776 -1.308 -1.672) 6.154 22.694 ( -1.120 -1.571 0.566) 2.010 23.535 ( 0.037 0.470 2.549) 2.592 23.670 ( 2.863 -0.324 0.214) 2.889 23.722 ( 1.422 0.005 1.630) 2.164 24.050 ( -11.440 0.792 0.268) 11.470 25.356 ( -2.633 6.425 5.117) 8.625 25.479 ( 4.668 6.143 -8.085) 11.176 25.853 ( 6.838 -2.146 2.264) 7.516 26.252 ( -11.012 -5.152 -4.061) 12.818 29.376 ( -1.211 -0.507 7.728) 7.838 29.431 ( 5.242 -0.216 -0.506) 5.271 29.926 ( -1.236 -0.732 2.769) 3.120 30.110 ( -1.377 0.638 -6.498) 6.672 46.726 ( -0.380 1.968 3.941) 4.421 46.863 ( 1.452 2.957 -4.776) 5.802 88.787 ( -1.646 -0.119 -1.554) 2.267 88.894 ( -11.845 -0.348 1.565) 11.953 89.897 ( 6.758 3.903 4.990) 9.263 90.337 ( -7.858 4.643 -6.098) 10.977 ======================= Grid point 345 (173/196) ======================= q-point: (-0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -3.438 8.538 11.000) 14.343 2.295 ( 4.663 8.489 -5.587) 11.181 2.629 ( -4.403 11.582 8.873) 15.240 2.843 ( 8.505 8.556 -8.732) 14.892 3.150 ( -1.110 7.050 6.845) 9.889 3.249 ( 0.571 13.317 -1.492) 13.412 3.476 ( -10.770 -1.705 3.321) 11.398 3.597 ( 0.645 -5.541 -1.599) 5.803 3.838 ( 9.973 8.450 -1.288) 13.135 3.950 ( 1.282 5.651 -6.977) 9.069 4.735 ( -1.147 4.299 11.840) 12.649 4.909 ( -1.819 0.348 -0.253) 1.869 5.304 ( -7.851 -3.069 3.968) 9.317 5.542 ( 6.638 -7.702 -12.923) 16.443 6.315 ( -3.620 2.512 8.930) 9.958 6.540 ( 3.444 7.083 -11.696) 14.100 7.189 ( -6.501 -1.255 4.043) 7.758 7.279 ( 6.257 -0.829 -3.951) 7.446 8.047 ( -0.960 0.463 6.360) 6.448 8.193 ( 0.167 0.536 -6.580) 6.604 8.291 ( -3.488 4.639 3.649) 6.855 8.367 ( 2.367 1.333 -2.700) 3.830 8.798 ( 6.889 0.921 4.896) 8.501 8.931 ( -4.541 1.936 -7.540) 9.012 9.290 ( 6.698 -0.614 2.841) 7.301 9.344 ( -5.947 -1.553 -2.106) 6.498 11.593 ( -7.574 2.174 3.420) 8.590 11.673 ( 6.624 0.677 -3.941) 7.737 12.169 ( -10.843 -0.438 2.037) 11.041 12.197 ( 10.691 -1.156 -0.560) 10.767 12.792 ( -9.520 -4.359 6.391) 12.267 12.934 ( 7.736 -3.414 -6.834) 10.872 13.665 ( 4.947 1.692 5.317) 7.457 13.771 ( -4.434 0.937 -4.612) 6.466 22.677 ( -4.662 -2.102 0.611) 5.150 22.694 ( 4.284 -2.109 -0.977) 4.873 23.583 ( 1.735 -1.485 4.991) 5.489 23.684 ( -1.234 -2.399 -4.323) 5.096 23.809 ( 9.314 2.985 3.340) 10.335 23.855 ( -9.593 3.427 -1.218) 10.259 25.258 ( -4.199 7.515 5.795) 10.377 25.409 ( 5.331 6.933 -8.677) 12.320 26.024 ( 3.663 -3.913 5.230) 7.489 26.132 ( -5.568 -4.668 -4.854) 8.738 29.407 ( -2.579 -0.903 5.713) 6.333 29.510 ( 5.968 -1.051 -3.537) 7.016 29.945 ( -0.889 -0.687 4.393) 4.534 30.046 ( -0.549 -0.153 -5.202) 5.233 46.714 ( -1.214 2.906 4.233) 5.276 46.807 ( 0.987 3.245 -4.547) 5.673 88.776 ( -5.689 -0.092 1.365) 5.851 88.802 ( 5.323 -0.027 -1.096) 5.435 89.962 ( 3.428 6.248 7.364) 10.248 90.132 ( -3.388 5.051 -8.683) 10.602 ======================= Grid point 346 (174/196) ======================= q-point: (-0.20 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -2.123 6.127 8.997) 11.090 2.225 ( 4.701 10.028 -2.337) 11.319 2.414 ( -5.122 15.687 -3.138) 16.797 2.754 ( 10.514 13.706 -7.374) 18.783 3.079 ( -1.609 6.829 2.663) 7.505 3.147 ( 0.418 11.225 5.976) 12.723 3.340 ( -7.801 -0.925 4.397) 9.002 3.696 ( 1.925 -3.760 -3.363) 5.399 3.885 ( 8.966 4.774 -9.379) 13.825 3.891 ( 10.955 7.136 -2.158) 13.251 4.717 ( -8.761 1.637 1.739) 9.081 4.823 ( -0.150 4.212 4.157) 5.919 5.336 ( -5.078 -4.499 14.613) 16.111 5.623 ( 8.242 -2.026 -12.333) 14.971 6.277 ( -6.473 1.214 6.209) 9.051 6.439 ( 0.403 0.940 -8.470) 8.532 7.126 ( -5.991 0.110 3.830) 7.111 7.353 ( 6.167 0.835 -2.429) 6.680 8.026 ( -5.170 1.751 2.932) 6.196 8.191 ( 2.117 -2.416 -2.445) 4.037 8.231 ( -0.636 3.569 2.758) 4.555 8.379 ( 6.221 3.704 -2.966) 7.824 8.673 ( -10.858 -0.534 -2.365) 11.125 9.066 ( 14.134 -0.162 1.674) 14.233 9.208 ( -10.331 -2.426 -2.606) 10.927 9.422 ( 5.229 0.195 0.719) 5.282 11.389 ( -12.720 2.583 1.586) 13.076 11.838 ( 12.253 -1.007 -0.847) 12.324 12.033 ( -9.157 -0.026 0.785) 9.191 12.361 ( 9.090 -0.907 0.161) 9.137 12.721 ( -9.214 -2.980 4.223) 10.564 13.055 ( 6.383 -2.427 -1.796) 7.061 13.714 ( 4.027 -0.097 -3.725) 5.487 13.787 ( 8.880 2.736 2.897) 9.733 22.630 ( -6.388 -2.753 1.008) 7.029 22.759 ( 0.601 -2.819 -0.352) 2.903 23.602 ( -7.549 1.883 -3.347) 8.470 23.662 ( 0.278 -1.090 1.352) 1.758 23.734 ( 3.617 0.451 0.415) 3.668 23.969 ( 12.425 2.720 1.878) 12.857 25.152 ( -3.696 6.495 6.352) 9.808 25.340 ( 5.867 7.385 -8.746) 12.863 25.943 ( -12.722 -2.694 0.290) 13.008 26.313 ( 11.838 -5.845 2.887) 13.514 29.398 ( -4.527 -0.912 2.769) 5.385 29.555 ( 3.474 -0.813 -7.324) 8.147 29.958 ( -2.006 0.550 3.164) 3.786 30.063 ( 4.089 -3.497 -1.434) 5.568 46.682 ( -1.799 3.461 4.099) 5.658 46.755 ( 1.356 2.832 -3.848) 4.966 88.765 ( 2.784 -0.564 1.125) 3.055 88.932 ( 12.492 -1.012 -0.393) 12.539 89.872 ( -6.387 6.087 -0.453) 8.834 90.075 ( 7.942 7.189 0.254) 10.715 ======================= Grid point 347 (175/196) ======================= q-point: (-0.10 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -5.266 15.844 2.975) 16.959 2.178 ( 5.445 4.997 5.599) 9.272 2.255 ( 4.705 1.555 -14.400) 15.229 2.699 ( 3.557 9.056 -2.773) 10.117 2.956 ( -0.961 15.858 7.777) 17.689 3.013 ( -2.025 5.258 2.786) 6.285 3.439 ( 8.960 -5.550 -0.667) 10.561 3.660 ( -2.267 0.357 -4.793) 5.314 3.924 ( 15.735 12.811 -7.175) 21.522 3.976 ( 10.132 -0.216 -3.826) 10.833 4.504 ( -8.858 4.167 -5.639) 11.297 4.880 ( 2.577 2.727 8.804) 9.570 5.417 ( -4.393 -1.781 15.753) 16.451 5.642 ( 8.625 4.941 -11.063) 14.872 6.203 ( -9.799 -1.935 7.424) 12.445 6.420 ( -1.908 -7.746 -6.125) 10.058 7.082 ( -2.296 1.755 3.419) 4.477 7.378 ( 1.813 3.471 -0.093) 3.917 7.927 ( -3.272 3.956 -1.266) 5.288 8.229 ( 3.897 2.307 -0.286) 4.538 8.233 ( -0.868 -2.695 1.784) 3.346 8.421 ( 7.080 3.426 -0.238) 7.869 8.563 ( -7.694 -4.771 -0.919) 9.100 9.072 ( -10.229 -4.100 -3.700) 11.625 9.265 ( 9.848 -0.562 2.895) 10.280 9.447 ( 0.182 1.510 -1.430) 2.087 11.214 ( -8.481 1.334 0.039) 8.586 11.908 ( -10.181 -2.462 1.643) 10.602 12.023 ( 12.346 0.345 -2.099) 12.528 12.443 ( 0.809 1.894 3.284) 3.876 12.729 ( 3.749 -3.459 0.296) 5.109 13.129 ( 1.085 -1.112 0.829) 1.761 13.819 ( 10.567 -1.807 -1.071) 10.774 13.899 ( 9.193 3.784 1.900) 10.121 22.580 ( -6.433 -3.091 1.233) 7.243 22.759 ( -4.872 -2.068 -0.143) 5.294 23.474 ( -2.163 2.355 -1.622) 3.586 23.658 ( 1.011 0.426 -2.498) 2.728 23.854 ( 6.972 -2.903 0.232) 7.556 24.105 ( 9.508 4.128 2.504) 10.664 25.107 ( -0.315 3.122 6.820) 7.508 25.275 ( 6.398 7.149 -8.782) 13.006 25.802 ( -10.849 -2.093 0.934) 11.088 26.575 ( 9.567 -5.680 5.565) 12.440 29.339 ( -5.677 -0.129 -0.078) 5.679 29.529 ( 0.347 -0.296 -8.460) 8.472 29.939 ( -1.630 1.372 2.965) 3.651 30.191 ( 5.877 -5.766 -2.246) 8.534 46.641 ( -1.707 3.294 3.588) 5.161 46.727 ( 2.331 1.919 -2.952) 4.222 88.884 ( 10.157 -2.028 -0.127) 10.358 89.176 ( 15.430 -4.023 2.035) 16.076 89.706 ( -5.003 4.651 -2.828) 7.393 90.120 ( 9.509 8.958 4.864) 13.940 ======================= Grid point 352 (176/196) ======================= q-point: ( 0.40 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 5.944 0.000 6.601) 8.883 2.409 ( 15.422 0.000 4.063) 15.949 2.749 ( -2.656 -0.000 3.180) 4.143 2.848 ( -0.181 -0.000 -6.085) 6.088 3.190 ( -18.452 -0.000 10.528) 21.244 3.468 ( 7.237 0.000 -8.054) 10.828 3.674 ( 5.128 0.000 0.171) 5.131 3.704 ( 0.048 0.000 -2.523) 2.523 4.108 ( 1.851 0.000 -6.771) 7.019 4.329 ( -15.231 -0.000 8.673) 17.527 4.642 ( 6.049 0.000 5.803) 8.383 4.816 ( 8.876 0.000 -7.349) 11.523 5.070 ( 3.732 0.000 -6.488) 7.485 5.475 ( -7.019 -0.000 1.947) 7.284 6.420 ( 0.205 0.000 12.070) 12.072 6.861 ( -3.779 -0.000 -0.391) 3.800 7.055 ( 8.788 0.000 -5.260) 10.242 7.197 ( 1.081 0.000 -9.196) 9.259 8.009 ( 1.579 0.000 2.388) 2.863 8.113 ( 9.661 0.000 -3.196) 10.176 8.321 ( 2.961 0.000 -0.252) 2.972 8.361 ( 4.020 0.000 -0.982) 4.139 8.913 ( -7.592 -0.000 1.353) 7.712 9.031 ( -2.138 -0.000 3.408) 4.023 9.367 ( 1.677 0.000 5.163) 5.428 9.396 ( -3.326 -0.000 -5.036) 6.035 11.392 ( 10.085 0.000 -1.180) 10.154 11.762 ( 9.567 0.000 -8.553) 12.833 12.093 ( -7.601 -0.000 4.754) 8.966 12.420 ( -8.959 -0.000 3.312) 9.552 12.669 ( 4.256 0.000 -9.099) 10.045 12.898 ( -11.447 -0.000 3.856) 12.079 13.582 ( -2.828 -0.000 3.308) 4.352 14.133 ( -11.080 -0.000 -0.576) 11.095 22.514 ( 5.751 0.000 -2.271) 6.183 22.652 ( 1.786 0.000 0.876) 1.990 23.616 ( 0.120 0.000 0.860) 0.868 23.640 ( -0.692 -0.000 -1.664) 1.803 23.645 ( -1.019 -0.000 2.570) 2.764 24.182 ( -9.182 -0.000 3.185) 9.718 25.463 ( -0.773 -0.000 4.253) 4.323 25.596 ( 5.068 0.000 -4.692) 6.906 25.760 ( 3.186 0.000 0.153) 3.189 26.307 ( -10.316 -0.000 -4.783) 11.370 29.320 ( -1.261 -0.000 10.444) 10.520 29.377 ( 3.244 0.000 -0.737) 3.327 29.916 ( -1.452 -0.000 1.976) 2.452 30.193 ( -0.687 -0.000 -8.087) 8.116 46.729 ( 0.879 0.000 3.581) 3.687 46.927 ( 2.656 0.000 -4.853) 5.533 88.853 ( -6.016 -0.000 -2.019) 6.345 89.071 ( -14.578 -0.000 2.244) 14.750 89.830 ( 7.571 0.000 2.517) 7.978 90.591 ( -9.909 -0.000 -1.380) 10.004 ======================= Grid point 353 (177/196) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 6.623 9.292 6.508) 13.136 2.637 ( 8.498 9.646 1.001) 12.894 2.731 ( 1.172 -6.244 2.120) 6.697 2.867 ( -1.392 -2.537 6.414) 7.036 2.993 ( -12.556 -4.587 1.715) 13.477 3.421 ( -5.900 -2.659 -8.278) 10.507 3.634 ( 7.883 11.529 1.500) 14.047 3.844 ( 6.107 -4.354 -0.601) 7.524 4.007 ( -8.009 9.318 -2.001) 12.448 4.132 ( -7.931 -0.874 -0.534) 7.997 4.757 ( 5.769 2.477 5.378) 8.267 4.941 ( 6.530 3.116 -0.304) 7.242 5.112 ( 3.210 -10.017 -5.661) 11.945 5.399 ( -4.547 -0.189 -2.072) 5.000 6.463 ( -2.407 4.274 12.377) 13.313 6.783 ( -0.642 1.571 -8.224) 8.397 7.125 ( 1.421 -1.622 0.358) 2.186 7.179 ( 3.895 -1.562 -7.871) 8.920 8.040 ( -0.335 0.493 5.279) 5.312 8.209 ( 6.476 -0.190 -4.856) 8.097 8.372 ( 3.693 0.902 -1.927) 4.262 8.403 ( 1.162 -0.707 -0.890) 1.626 8.816 ( -2.832 3.879 4.812) 6.798 9.049 ( 1.680 0.061 1.990) 2.605 9.286 ( -3.608 1.875 -4.531) 6.088 9.385 ( -3.934 -1.119 1.586) 4.387 11.522 ( 9.900 1.051 -1.034) 10.009 11.793 ( -1.807 -1.309 -5.857) 6.267 12.066 ( 2.992 1.204 3.340) 4.643 12.299 ( -10.670 -0.436 2.697) 11.014 12.707 ( 7.414 -0.326 -6.870) 10.113 12.785 ( -9.738 -3.691 3.280) 10.919 13.603 ( 2.018 0.040 4.326) 4.774 13.954 ( -11.047 0.618 -2.157) 11.272 22.587 ( 5.791 -0.399 -1.815) 6.082 22.668 ( -0.992 -0.549 0.552) 1.261 23.554 ( -2.499 1.015 0.633) 2.771 23.627 ( -1.242 -1.918 -2.224) 3.189 23.745 ( 6.809 0.775 4.638) 8.274 24.062 ( -9.544 0.256 1.429) 9.654 25.472 ( -0.775 2.535 4.462) 5.191 25.601 ( 4.024 3.181 -6.291) 8.117 25.819 ( 4.211 -0.661 1.769) 4.615 26.147 ( -9.598 -2.797 -4.546) 10.982 29.369 ( -2.011 -0.103 9.157) 9.376 29.430 ( 4.729 0.008 -0.879) 4.810 29.917 ( -0.586 -0.136 2.380) 2.455 30.120 ( -1.302 0.213 -7.710) 7.822 46.760 ( 0.236 0.742 4.031) 4.105 46.914 ( 1.422 1.097 -5.038) 5.349 88.786 ( -1.163 0.010 -1.536) 1.926 88.892 ( -11.382 0.025 1.652) 11.501 89.963 ( 8.187 1.387 4.471) 9.431 90.417 ( -9.225 1.740 -4.614) 10.460 ======================= Grid point 354 (178/196) ======================= q-point: (-0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -0.593 11.637 8.197) 14.246 2.522 ( 2.777 10.322 -6.768) 12.652 2.778 ( -8.514 1.089 9.585) 12.867 2.903 ( 8.722 -1.859 -0.943) 8.968 3.160 ( 9.989 -7.904 4.190) 13.409 3.289 ( -10.074 -5.502 -7.946) 13.961 3.622 ( -0.989 9.380 6.638) 11.534 3.692 ( -7.136 12.864 -3.002) 15.014 3.962 ( 6.327 0.497 0.712) 6.387 4.071 ( 4.130 3.631 -8.213) 9.884 4.834 ( -3.410 3.075 8.062) 9.278 4.898 ( -1.190 -0.657 3.136) 3.418 5.256 ( -2.780 -1.103 -2.546) 3.927 5.342 ( 6.635 -6.398 -9.315) 13.105 6.439 ( -4.467 5.677 12.855) 14.745 6.692 ( 1.908 4.186 -10.594) 11.550 7.133 ( -5.013 -2.398 2.691) 6.174 7.231 ( 5.723 -2.823 -5.826) 8.641 8.066 ( -0.693 0.983 6.240) 6.355 8.211 ( 0.484 0.913 -7.520) 7.591 8.371 ( -4.441 0.590 1.937) 4.880 8.381 ( 0.598 1.213 0.674) 1.512 8.861 ( 8.114 3.225 4.912) 10.018 9.001 ( -2.482 2.906 -8.106) 8.962 9.286 ( 5.511 0.263 2.002) 5.869 9.315 ( -5.873 -0.744 -0.672) 5.958 11.628 ( -0.465 0.726 1.979) 2.159 11.679 ( -2.858 -0.072 -2.617) 3.876 12.172 ( -7.952 0.383 1.223) 8.055 12.183 ( 9.873 -0.109 0.067) 9.874 12.682 ( -11.408 -4.009 6.930) 13.937 12.844 ( 10.501 -3.289 -8.287) 13.775 13.698 ( 6.949 0.949 4.962) 8.591 13.788 ( -7.173 0.501 -3.466) 7.982 22.641 ( -4.323 -0.923 0.479) 4.446 22.659 ( 4.120 -0.888 -1.202) 4.382 23.550 ( 0.137 -0.937 3.275) 3.409 23.619 ( -0.943 -2.366 -3.140) 4.043 23.875 ( 8.682 2.065 3.527) 9.596 23.919 ( -7.718 1.744 -0.732) 7.947 25.429 ( -2.681 5.882 4.783) 8.041 25.558 ( 4.088 4.862 -7.495) 9.825 25.939 ( 5.502 -2.858 4.115) 7.441 26.027 ( -7.443 -3.746 -4.072) 9.274 29.393 ( -2.856 -0.316 6.400) 7.015 29.496 ( 5.784 -0.213 -2.885) 6.467 29.937 ( 0.108 -0.067 4.001) 4.003 30.045 ( -1.492 0.002 -6.526) 6.694 46.773 ( -0.706 1.746 4.453) 4.835 46.872 ( 0.467 1.914 -4.901) 5.282 88.777 ( -5.476 0.109 1.375) 5.647 88.804 ( 5.225 0.110 -1.123) 5.345 90.088 ( 7.090 3.743 6.126) 10.090 90.226 ( -6.665 2.576 -6.891) 9.927 ======================= Grid point 355 (179/196) ======================= q-point: (-0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -2.742 9.544 4.854) 11.053 2.405 ( 3.299 7.448 -8.258) 11.600 2.737 ( -1.884 5.819 6.504) 8.928 3.009 ( 9.425 6.647 -7.897) 13.977 3.179 ( -7.505 -5.595 -3.727) 10.076 3.265 ( -8.063 10.441 6.987) 14.928 3.440 ( 0.257 -2.991 1.327) 3.282 3.624 ( 1.760 6.813 7.510) 10.292 3.965 ( 1.346 2.580 -7.804) 8.328 4.108 ( 17.552 8.005 -6.334) 20.304 4.728 ( -11.024 0.049 7.658) 13.423 4.937 ( -0.026 3.798 -2.547) 4.573 5.178 ( -7.143 -6.618 7.487) 12.283 5.506 ( 11.029 -5.607 -9.238) 15.440 6.388 ( -5.182 6.620 13.337) 15.766 6.565 ( 0.192 6.624 -11.578) 13.340 7.097 ( -6.455 -2.128 4.919) 8.390 7.316 ( 5.390 -3.625 -5.053) 8.229 8.070 ( -3.237 1.552 4.561) 5.804 8.144 ( -1.672 -0.937 -3.584) 4.065 8.306 ( -2.346 2.398 1.405) 3.637 8.399 ( 0.303 -0.962 1.233) 1.593 8.784 ( -2.889 7.586 -5.620) 9.873 9.077 ( 13.477 0.572 0.197) 13.491 9.178 ( -9.879 0.280 -0.091) 9.883 9.418 ( 6.743 -0.450 0.219) 6.762 11.452 ( -12.479 2.605 0.824) 12.775 11.768 ( 1.570 -3.961 3.142) 5.294 12.075 ( -1.253 2.576 -1.886) 3.430 12.342 ( 10.375 -0.643 -0.186) 10.396 12.627 ( -9.131 -4.328 5.893) 11.698 12.979 ( 8.016 -3.491 -4.652) 9.904 13.701 ( 0.160 -0.610 -4.369) 4.414 13.846 ( 10.152 1.991 4.488) 11.277 22.581 ( -6.054 -1.351 0.826) 6.258 22.706 ( 0.966 -1.549 -0.573) 1.914 23.594 ( -2.256 -1.559 -1.057) 2.939 23.622 ( 1.987 -1.806 1.424) 3.040 23.775 ( -4.089 2.324 -1.906) 5.075 24.031 ( 11.677 1.993 2.135) 12.037 25.328 ( -4.337 7.511 5.489) 10.264 25.502 ( 4.732 5.465 -8.051) 10.820 25.893 ( -9.150 -1.580 -1.089) 9.349 26.165 ( 9.892 -5.933 3.688) 12.110 29.384 ( -3.683 -0.302 3.326) 4.971 29.545 ( 4.923 -0.026 -6.907) 8.481 29.971 ( -0.391 0.466 3.348) 3.403 30.003 ( 0.659 -1.556 -1.784) 2.457 46.760 ( -1.705 2.714 4.519) 5.540 46.817 ( 0.223 2.114 -4.309) 4.805 88.757 ( 1.517 -0.137 1.234) 1.960 88.919 ( 11.407 -0.191 -0.811) 11.437 90.003 ( -7.655 4.377 -3.889) 9.637 90.226 ( 9.555 4.953 3.237) 11.238 ======================= Grid point 356 (180/196) ======================= q-point: (-0.20 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -1.690 5.388 -0.826) 5.707 2.314 ( 2.563 4.353 -9.868) 11.086 2.545 ( -7.144 19.370 1.660) 20.712 2.896 ( 0.112 6.564 -3.775) 7.573 3.064 ( -4.942 -0.789 -1.041) 5.112 3.302 ( -5.331 2.918 9.075) 10.922 3.364 ( 4.920 6.777 1.475) 8.503 3.669 ( 0.559 0.303 0.063) 0.639 3.944 ( 6.402 -0.733 -5.282) 8.332 4.223 ( 20.269 11.054 -7.188) 24.181 4.594 ( -10.375 2.000 -2.255) 10.804 4.881 ( 0.641 -1.097 3.888) 4.090 5.289 ( -5.397 -8.122 14.894) 17.802 5.660 ( 11.677 -3.345 -9.283) 15.287 6.308 ( -6.483 8.256 11.293) 15.418 6.377 ( -4.098 4.516 -9.719) 11.474 7.089 ( -2.823 -1.110 5.976) 6.702 7.387 ( 3.152 -2.794 -4.275) 6.001 8.008 ( -2.736 2.220 0.425) 3.549 8.136 ( -4.060 -3.616 1.452) 5.628 8.279 ( 1.147 1.517 0.237) 1.917 8.423 ( -1.281 -2.588 1.098) 3.089 8.647 ( 4.216 9.463 -4.109) 11.145 9.011 ( -10.965 -0.443 -1.645) 11.096 9.263 ( 9.672 0.473 2.766) 10.071 9.472 ( 1.142 0.404 -1.865) 2.224 11.258 ( -9.952 2.295 -0.041) 10.213 11.802 ( -9.243 -5.322 5.348) 11.931 12.076 ( 9.048 3.066 -4.004) 10.359 12.469 ( 4.807 0.337 1.533) 5.057 12.637 ( 0.957 -3.989 2.588) 4.850 13.084 ( 3.674 -2.560 -0.539) 4.511 13.750 ( 7.560 -3.174 -4.355) 9.284 13.992 ( 9.895 3.474 3.658) 11.106 22.520 ( -5.850 -1.840 1.279) 6.265 22.711 ( -2.824 -1.751 -0.221) 3.330 23.529 ( -2.789 1.851 -2.027) 3.913 23.663 ( 1.162 0.087 -1.470) 1.876 23.776 ( 3.783 -2.978 -0.259) 4.822 24.186 ( 10.452 2.204 2.178) 10.902 25.219 ( -4.184 6.185 6.513) 9.909 25.445 ( 5.351 6.074 -8.521) 11.753 25.773 ( -8.082 -0.397 0.036) 8.092 26.422 ( 9.951 -6.604 4.840) 12.886 29.342 ( -4.166 0.316 0.890) 4.271 29.531 ( 2.089 0.527 -9.784) 10.018 29.964 ( -0.534 0.426 0.917) 1.144 30.077 ( 3.196 -3.163 2.588) 5.188 46.723 ( -2.159 3.150 3.328) 5.065 46.773 ( 0.594 1.745 -2.600) 3.187 88.842 ( 7.610 -1.278 1.076) 7.792 89.116 ( 14.546 -1.201 -0.298) 14.598 89.815 ( -6.730 3.979 -4.142) 8.848 90.323 ( 10.308 7.386 4.240) 13.371 ======================= Grid point 357 (181/196) ======================= q-point: (-0.10 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -3.934 8.634 -3.084) 9.977 2.156 ( -5.080 2.797 -11.572) 12.944 2.341 ( 3.306 6.566 -1.252) 7.457 2.797 ( -2.652 8.537 4.057) 9.817 3.008 ( -4.751 2.221 2.770) 5.931 3.123 ( -1.274 5.230 -3.011) 6.168 3.516 ( 7.060 -2.623 3.325) 8.233 3.626 ( -0.182 1.965 -3.435) 3.961 4.052 ( 6.480 -2.683 -1.590) 7.192 4.306 ( 13.256 12.341 -3.033) 18.364 4.399 ( -2.735 3.546 -7.183) 8.464 5.018 ( 9.230 -1.337 3.553) 9.980 5.386 ( -8.358 -6.106 15.123) 18.326 5.775 ( 11.626 3.040 -8.538) 14.741 6.143 ( -9.261 4.423 3.762) 10.931 6.274 ( -3.071 -1.862 -1.259) 3.806 7.109 ( -1.028 0.958 5.192) 5.379 7.415 ( 1.882 0.005 -1.632) 2.491 7.959 ( -0.086 3.235 -0.377) 3.258 8.121 ( -7.227 -5.221 2.507) 9.262 8.293 ( 2.172 0.725 -0.609) 2.369 8.444 ( -1.234 -2.644 1.877) 3.469 8.615 ( 7.862 7.912 -1.085) 11.207 8.863 ( -8.920 -2.368 -2.342) 9.522 9.373 ( 1.672 -0.874 0.557) 1.967 9.432 ( -0.638 1.611 -1.504) 2.294 11.117 ( -5.985 0.896 -1.320) 6.194 11.741 ( -9.295 -3.438 2.538) 10.231 12.162 ( 7.791 0.860 -1.938) 8.075 12.506 ( 1.495 1.910 3.143) 3.970 12.778 ( 8.667 -4.055 -0.402) 9.577 13.128 ( -0.414 -0.390 0.433) 0.715 13.918 ( 9.817 -5.354 -0.709) 11.204 14.085 ( 6.718 4.935 2.181) 8.616 22.479 ( -4.463 -2.074 1.432) 5.126 22.664 ( -5.142 -0.738 -0.334) 5.205 23.481 ( 0.867 1.484 -0.941) 1.960 23.664 ( 1.356 0.347 -2.233) 2.636 23.871 ( 3.518 -3.922 -2.872) 6.000 24.299 ( 6.720 3.235 3.877) 8.406 25.172 ( -2.102 1.663 7.421) 7.890 25.385 ( 5.795 6.456 -9.030) 12.522 25.679 ( -5.480 -0.034 0.994) 5.569 26.663 ( 7.005 -5.618 5.433) 10.495 29.275 ( -3.826 1.205 -0.063) 4.011 29.467 ( 0.156 0.470 -9.734) 9.746 29.959 ( -0.639 1.014 2.178) 2.486 30.187 ( 3.651 -4.351 -0.084) 5.681 46.677 ( -1.880 2.835 2.963) 4.511 46.755 ( 1.505 0.928 -2.068) 2.721 89.005 ( 10.186 -2.544 0.037) 10.499 89.339 ( 10.480 -2.666 1.422) 10.907 89.665 ( -3.385 2.871 -3.343) 5.557 90.409 ( 10.218 7.768 4.903) 13.740 ======================= Grid point 363 (182/196) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 5.179 0.000 7.251) 8.911 2.679 ( -7.033 -0.000 8.112) 10.736 2.749 ( -8.849 0.000 -3.118) 9.382 2.835 ( 7.135 -0.000 -6.232) 9.474 2.982 ( 12.608 0.000 10.098) 16.153 3.219 ( -7.441 -0.000 -11.549) 13.739 3.839 ( 1.415 0.000 7.063) 7.204 3.869 ( 3.760 -0.000 -0.498) 3.793 3.885 ( -15.172 -0.000 3.093) 15.484 4.111 ( 11.881 0.000 -11.854) 16.783 4.865 ( 2.846 -0.000 4.867) 5.638 4.898 ( -10.155 -0.000 1.234) 10.230 5.219 ( 15.125 -0.000 -0.840) 15.148 5.287 ( -6.971 -0.000 -6.871) 9.788 6.523 ( -4.606 -0.000 12.583) 13.400 6.736 ( 0.550 0.000 -6.607) 6.630 7.106 ( -2.889 -0.000 -0.414) 2.918 7.181 ( 4.622 -0.000 -6.483) 7.962 8.081 ( -0.736 -0.000 6.321) 6.364 8.225 ( 1.025 -0.000 -7.390) 7.461 8.369 ( -4.321 -0.000 2.896) 5.202 8.401 ( 0.023 0.000 -0.380) 0.381 8.907 ( 7.407 0.000 4.571) 8.704 9.040 ( -0.833 -0.000 -7.825) 7.870 9.293 ( 5.472 0.000 1.404) 5.650 9.307 ( -6.582 -0.000 0.233) 6.586 11.635 ( 4.298 0.000 1.503) 4.554 11.677 ( -8.493 -0.000 -2.274) 8.792 12.177 ( -6.890 -0.000 1.027) 6.966 12.184 ( 9.562 0.000 0.195) 9.564 12.627 ( -12.227 -0.000 7.229) 14.204 12.799 ( 11.515 -0.000 -8.956) 14.587 13.710 ( 7.733 -0.000 4.842) 9.124 13.794 ( -8.221 -0.000 -3.045) 8.767 22.630 ( -4.217 -0.000 0.472) 4.244 22.648 ( 4.103 -0.000 -1.266) 4.293 23.540 ( -0.981 -0.000 2.166) 2.378 23.586 ( -0.351 -0.000 -2.133) 2.162 23.901 ( 9.564 -0.000 3.282) 10.111 23.940 ( -8.127 -0.000 -0.452) 8.140 25.510 ( -0.936 -0.000 4.169) 4.272 25.624 ( 2.841 -0.000 -6.608) 7.193 25.899 ( 5.564 -0.000 3.347) 6.494 25.972 ( -7.956 0.000 -3.590) 8.728 29.389 ( -3.028 -0.000 6.788) 7.433 29.495 ( 5.786 -0.000 -2.662) 6.369 29.937 ( 0.454 -0.000 3.742) 3.769 30.045 ( -1.751 -0.000 -6.982) 7.198 46.795 ( -0.513 -0.000 4.522) 4.551 46.896 ( 0.269 -0.000 -5.023) 5.031 88.779 ( -5.450 -0.000 1.367) 5.619 88.805 ( 5.190 -0.000 -1.117) 5.309 90.136 ( 9.368 -0.000 5.465) 10.845 90.258 ( -8.810 -0.000 -6.031) 10.677 ======================= Grid point 365 (183/196) ======================= q-point: (-0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -5.814 9.945 1.140) 11.576 2.619 ( -0.871 9.422 -1.659) 9.607 2.730 ( -2.128 -4.822 3.430) 6.288 2.940 ( -4.222 -10.531 -1.637) 11.463 3.113 ( 10.375 2.755 -8.110) 13.453 3.260 ( 9.370 -5.973 5.406) 12.357 3.617 ( -11.434 12.276 1.312) 16.827 3.818 ( -2.521 4.642 4.551) 6.972 3.944 ( -1.554 -4.203 1.479) 4.718 4.260 ( 21.152 3.593 -10.604) 23.932 4.745 ( -12.521 1.231 5.026) 13.548 4.943 ( 0.831 -2.607 5.798) 6.411 5.096 ( -10.629 -0.108 -9.073) 13.975 5.409 ( 10.708 -1.925 -2.558) 11.177 6.534 ( -3.300 4.000 13.896) 14.832 6.689 ( 1.116 2.730 -7.930) 8.460 7.050 ( -5.827 -1.033 3.188) 6.722 7.212 ( 2.814 -3.547 -6.361) 7.808 8.092 ( -3.514 0.342 5.220) 6.302 8.139 ( -5.129 0.124 -3.888) 6.438 8.343 ( -1.777 0.618 0.941) 2.104 8.385 ( -1.704 -0.075 0.996) 1.975 8.947 ( 1.044 4.424 -6.809) 8.187 9.074 ( 9.581 -0.703 -0.418) 9.616 9.211 ( -4.964 1.430 2.023) 5.548 9.405 ( 6.817 -0.425 -0.073) 6.831 11.514 ( -10.573 2.118 -0.202) 10.785 11.675 ( -4.177 -2.908 4.918) 7.077 12.127 ( 1.382 1.226 -2.015) 2.734 12.331 ( 10.244 -0.205 -0.460) 10.256 12.538 ( -8.649 -2.251 7.152) 11.446 12.907 ( 9.297 -1.770 -6.682) 11.585 13.691 ( -2.226 -0.186 -3.885) 4.481 13.881 ( 10.979 0.736 4.777) 11.996 22.560 ( -5.952 -0.398 0.734) 6.011 22.681 ( 0.886 -0.498 -0.720) 1.245 23.562 ( 0.190 -0.743 2.418) 2.537 23.586 ( 1.668 -0.884 -0.913) 2.097 23.819 ( -5.942 1.031 -2.370) 6.480 24.062 ( 10.680 0.608 1.526) 10.806 25.489 ( -2.538 4.484 4.216) 6.657 25.597 ( 2.620 2.100 -7.387) 8.115 25.858 ( -6.422 -1.142 -1.930) 6.802 26.045 ( 7.773 -3.115 4.999) 9.752 29.380 ( -3.366 -0.050 3.801) 5.078 29.549 ( 5.922 0.190 -6.584) 8.858 29.978 ( -0.788 -0.026 -1.140) 1.386 29.981 ( 0.088 -0.262 2.101) 2.119 46.807 ( -1.570 1.029 4.862) 5.212 46.853 ( -0.523 0.773 -4.674) 4.766 88.756 ( 1.013 0.020 1.244) 1.604 88.918 ( 11.060 0.011 -0.807) 11.089 90.078 ( -8.303 1.589 -6.198) 10.483 90.311 ( 10.660 1.810 5.326) 12.053 ======================= Grid point 366 (184/196) ======================= q-point: (-0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -4.277 7.845 -6.475) 11.034 2.464 ( -3.045 7.120 -2.721) 8.208 2.772 ( -1.889 -2.789 0.703) 3.441 2.928 ( -5.220 -5.114 -2.132) 7.612 3.195 ( -7.879 12.374 -3.998) 15.204 3.290 ( 7.196 1.091 5.512) 9.130 3.509 ( 5.719 2.072 1.889) 6.369 3.734 ( -4.759 4.600 6.456) 9.247 3.952 ( 0.670 0.079 -2.868) 2.947 4.443 ( 19.317 6.167 -8.364) 21.935 4.607 ( -8.304 0.824 3.750) 9.148 4.862 ( -7.557 -0.537 -7.109) 10.389 5.073 ( -3.116 -8.590 10.023) 13.563 5.557 ( 9.142 -3.640 -4.159) 10.683 6.519 ( -3.135 8.070 14.319) 16.733 6.550 ( -2.801 7.314 -10.676) 13.241 7.040 ( -3.770 -2.355 7.852) 9.023 7.260 ( 2.082 -6.667 -7.049) 9.923 8.034 ( -5.672 0.258 0.766) 5.730 8.068 ( -5.558 -1.892 1.437) 6.045 8.313 ( 0.188 1.286 -0.956) 1.613 8.379 ( -0.896 -1.230 0.174) 1.531 8.872 ( 4.185 7.523 -4.000) 9.492 9.046 ( -6.623 2.546 -1.075) 7.176 9.284 ( 8.819 1.016 3.273) 9.462 9.466 ( 1.475 -0.709 -2.499) 2.987 11.328 ( -10.013 3.253 0.249) 10.531 11.667 ( -9.311 -5.340 6.446) 12.520 12.147 ( 6.634 2.395 -3.204) 7.747 12.467 ( 7.128 -0.370 0.106) 7.139 12.544 ( -0.465 -3.216 5.029) 5.987 13.015 ( 6.338 -2.664 -2.776) 7.414 13.685 ( 3.943 -1.822 -4.500) 6.254 14.061 ( 11.226 1.986 3.929) 12.058 22.488 ( -5.764 -0.844 1.208) 5.949 22.676 ( -2.144 -0.999 -0.308) 2.385 23.563 ( -0.403 1.182 -0.429) 1.321 23.650 ( 2.868 -1.539 1.409) 3.547 23.731 ( -1.704 -0.422 -2.915) 3.403 24.216 ( 10.316 0.488 0.344) 10.334 25.396 ( -4.271 7.359 4.989) 9.864 25.554 ( 3.344 2.759 -7.795) 8.920 25.772 ( -5.452 -0.031 -0.746) 5.503 26.265 ( 9.203 -5.687 5.927) 12.336 29.350 ( -3.234 0.288 1.561) 3.602 29.552 ( 4.020 0.956 -11.110) 11.854 29.954 ( 0.002 -0.866 -1.533) 1.760 30.038 ( 0.967 -0.463 6.548) 6.636 46.787 ( -2.107 1.932 1.248) 3.119 46.808 ( -1.118 0.990 -0.433) 1.555 88.822 ( 6.251 -0.420 1.299) 6.398 89.103 ( 14.483 -0.140 -0.736) 14.502 89.893 ( -7.828 2.276 -5.482) 9.824 90.472 ( 11.847 4.504 4.366) 13.405 ======================= Grid point 367 (185/196) ======================= q-point: (-0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -6.256 3.327 -10.532) 12.694 2.331 ( -2.520 5.845 -3.430) 7.231 2.621 ( -11.621 12.006 -0.162) 16.710 2.904 ( -0.877 -0.596 -0.590) 1.213 2.979 ( -2.286 1.058 -1.406) 2.885 3.342 ( -8.591 9.193 6.309) 14.075 3.508 ( 8.187 2.010 -0.045) 8.431 3.694 ( -2.030 2.985 1.761) 4.016 3.978 ( 4.132 -2.350 -0.932) 4.844 4.431 ( -11.201 1.489 -1.526) 11.402 4.533 ( 6.604 2.375 -6.321) 9.445 4.929 ( 14.480 -2.829 -0.312) 14.757 5.204 ( -4.873 -8.498 11.072) 14.783 5.719 ( 9.736 -5.327 -4.232) 11.877 6.299 ( -6.184 8.961 -10.457) 15.096 6.441 ( -5.193 10.544 12.680) 17.289 7.087 ( -2.020 -2.510 6.805) 7.529 7.338 ( 3.525 -6.073 -4.832) 8.524 7.977 ( -2.464 -0.879 -0.221) 2.625 8.016 ( -7.153 -2.966 1.330) 7.857 8.318 ( 2.844 0.487 -1.049) 3.071 8.392 ( 0.168 -1.659 -0.212) 1.681 8.824 ( 4.878 8.096 -1.070) 9.512 8.893 ( -7.959 4.467 1.418) 9.236 9.368 ( 0.242 0.416 -1.273) 1.361 9.453 ( 0.884 0.021 -1.286) 1.561 11.162 ( -7.150 2.842 -0.425) 7.705 11.635 ( -9.470 -5.017 5.578) 12.082 12.201 ( 6.702 1.943 -2.493) 7.410 12.533 ( 2.559 0.477 1.619) 3.066 12.678 ( 8.008 -3.916 1.333) 9.013 13.103 ( 2.668 -1.606 -0.026) 3.115 13.784 ( 7.702 -4.855 -3.234) 9.662 14.197 ( 8.695 3.831 2.498) 9.824 22.437 ( -4.244 -1.299 1.593) 4.715 22.643 ( -3.598 -0.867 -0.219) 3.707 23.528 ( 0.113 2.272 -1.060) 2.509 23.673 ( 1.124 0.445 -1.835) 2.197 23.772 ( 2.456 -4.036 -0.342) 4.737 24.346 ( 8.040 0.704 0.147) 8.072 25.277 ( -5.093 6.627 6.387) 10.519 25.515 ( 4.401 3.665 -8.450) 10.208 25.690 ( -4.506 0.800 0.179) 4.580 26.516 ( 8.760 -6.108 5.992) 12.245 29.304 ( -2.838 1.082 0.569) 3.090 29.492 ( 1.790 1.380 -12.322) 12.527 29.964 ( 0.383 -0.498 0.047) 0.630 30.114 ( 1.653 -1.643 5.289) 5.780 46.737 ( -1.739 1.750 -0.174) 2.473 46.780 ( -1.450 1.166 1.317) 2.280 88.956 ( 8.852 -1.410 1.365) 9.067 89.308 ( 12.999 -0.268 -0.802) 13.027 89.727 ( -6.192 2.052 -3.789) 7.544 90.598 ( 11.503 7.149 2.528) 13.777 ======================= Grid point 368 (186/196) ======================= q-point: (-0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -6.627 -0.571 -10.400) 12.345 2.116 ( -9.046 10.494 -0.642) 13.870 2.413 ( -0.540 3.989 -2.171) 4.574 2.877 ( -2.815 4.376 4.348) 6.781 2.965 ( -1.051 -1.413 -0.606) 1.862 3.104 ( -6.285 6.270 -2.639) 9.262 3.598 ( 0.374 0.933 2.025) 2.260 3.654 ( 4.219 1.614 0.037) 4.518 4.070 ( 2.211 -3.635 -0.325) 4.267 4.244 ( -8.465 0.795 -2.826) 8.959 4.575 ( 1.914 -1.284 0.385) 2.337 5.197 ( 16.796 -1.502 -2.030) 16.985 5.280 ( -5.808 -4.686 9.588) 12.150 5.901 ( 10.863 -4.160 -4.454) 12.455 6.037 ( -7.868 5.695 -6.022) 11.428 6.311 ( -4.863 8.927 7.098) 12.399 7.127 ( -1.574 -1.427 4.248) 4.749 7.427 ( 2.834 -2.947 -0.243) 4.096 7.958 ( -4.066 -1.041 -0.021) 4.197 7.981 ( -0.858 -2.448 0.264) 2.607 8.354 ( 3.305 0.461 -0.819) 3.436 8.416 ( 0.342 -1.416 0.160) 1.465 8.741 ( -5.495 3.326 0.865) 6.481 8.810 ( 3.616 5.266 1.541) 6.571 9.281 ( -6.331 -0.613 -4.715) 7.918 9.481 ( 2.344 1.030 0.877) 2.707 11.053 ( -3.130 1.476 -1.468) 3.759 11.605 ( -6.371 -3.530 3.966) 8.293 12.247 ( 3.919 1.157 -1.455) 4.337 12.568 ( 1.865 0.825 1.466) 2.511 12.859 ( 9.184 -3.753 -0.193) 9.924 13.112 ( -2.332 0.554 -0.036) 2.397 13.963 ( 7.586 -6.996 -0.332) 10.325 14.241 ( 3.694 6.126 1.009) 7.225 22.421 ( -1.926 -1.486 1.628) 2.927 22.596 ( -3.106 -0.033 -0.395) 3.131 23.511 ( 1.302 1.307 -0.639) 1.953 23.669 ( 0.419 0.297 -1.141) 1.251 23.840 ( 1.296 -3.281 -2.056) 4.083 24.426 ( 4.289 1.729 0.999) 4.731 25.199 ( -4.580 2.178 7.681) 9.204 25.462 ( 4.219 4.741 -9.177) 11.158 25.638 ( -1.942 0.189 0.489) 2.011 26.731 ( 5.816 -4.133 5.083) 8.760 29.255 ( -2.122 1.800 1.063) 2.979 29.408 ( 0.599 0.994 -10.866) 10.928 29.971 ( -0.161 0.209 0.994) 1.029 30.192 ( 1.536 -2.399 2.403) 3.727 46.695 ( -1.815 1.646 1.511) 2.878 46.762 ( -0.128 0.072 -0.477) 0.500 89.114 ( 8.099 -2.037 0.896) 8.399 89.414 ( 0.860 0.672 -1.331) 1.721 89.654 ( 2.074 0.220 -0.954) 2.293 90.659 ( 7.978 7.757 0.755) 11.153 ======================= Grid point 375 (187/196) ======================= q-point: (-0.40 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -2.647 -0.000 -6.232) 6.771 2.530 ( -14.679 -0.000 -6.156) 15.917 2.713 ( -2.481 -0.000 6.072) 6.559 2.795 ( 0.777 0.000 -1.918) 2.069 3.312 ( 15.772 0.000 -3.163) 16.086 3.331 ( -2.154 -0.000 4.301) 4.810 3.642 ( 0.937 0.000 2.799) 2.952 3.738 ( -6.922 -0.000 -3.962) 7.976 3.944 ( -2.233 -0.000 8.420) 8.711 4.505 ( 7.758 0.000 -6.069) 9.849 4.659 ( 3.745 0.000 2.618) 4.569 4.856 ( -10.433 -0.000 -11.326) 15.399 4.932 ( -4.608 -0.000 6.630) 8.074 5.511 ( 7.001 0.000 -1.327) 7.125 6.638 ( -1.246 -0.000 14.982) 15.034 6.657 ( -0.453 -0.000 -9.419) 9.429 7.010 ( -3.411 -0.000 7.434) 8.179 7.143 ( -0.850 -0.000 -8.102) 8.147 8.038 ( -5.945 -0.000 -0.462) 5.963 8.042 ( -7.134 -0.000 2.948) 7.719 8.337 ( 0.516 0.000 -1.619) 1.699 8.357 ( -1.839 -0.000 -0.305) 1.865 8.971 ( 3.129 0.000 -3.710) 4.853 9.087 ( -2.780 -0.000 -1.470) 3.144 9.299 ( 8.178 0.000 3.799) 9.018 9.453 ( 1.171 0.000 -2.986) 3.207 11.386 ( -9.004 -0.000 -0.593) 9.024 11.582 ( -10.488 -0.000 7.968) 13.172 12.179 ( 5.951 0.000 -2.814) 6.583 12.460 ( 8.065 0.000 -0.617) 8.089 12.501 ( -1.043 -0.000 6.298) 6.384 12.978 ( 7.421 0.000 -3.894) 8.381 13.663 ( 2.510 0.000 -4.272) 4.954 14.086 ( 11.753 0.000 3.938) 12.396 22.477 ( -5.785 -0.000 1.155) 5.899 22.664 ( -2.009 -0.000 -0.354) 2.040 23.592 ( 0.879 0.000 3.011) 3.136 23.611 ( 3.317 0.000 -0.463) 3.350 23.732 ( -3.723 -0.000 -3.695) 5.245 24.220 ( 9.988 0.000 -0.324) 9.993 25.509 ( -3.063 -0.000 3.509) 4.657 25.586 ( 2.103 0.000 -7.518) 7.807 25.765 ( -4.660 -0.000 -0.389) 4.676 26.185 ( 8.680 0.000 6.624) 10.919 29.354 ( -2.940 -0.000 1.809) 3.452 29.566 ( 4.934 0.000 -11.782) 12.774 29.942 ( -0.173 -0.000 -1.234) 1.246 30.034 ( 0.414 0.000 6.839) 6.851 46.812 ( -1.189 -0.000 -4.303) 4.464 46.820 ( -2.653 -0.000 5.153) 5.795 88.817 ( 5.855 0.000 1.306) 5.999 89.102 ( 14.546 0.000 -0.722) 14.564 89.922 ( -8.178 -0.000 -6.046) 10.170 90.530 ( 12.700 0.000 4.503) 13.475 ======================= Grid point 376 (188/196) ======================= q-point: (-0.30 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -12.966 5.620 -7.682) 16.085 2.410 ( -2.101 -0.231 -8.190) 8.458 2.693 ( -7.478 -0.743 6.113) 9.687 2.832 ( -0.524 -3.568 -0.469) 3.637 3.205 ( -6.671 10.306 0.863) 12.307 3.472 ( 3.259 2.186 5.587) 6.828 3.585 ( 2.695 2.988 -8.308) 9.231 3.729 ( -0.886 -1.274 3.643) 3.960 3.960 ( -1.314 0.601 5.096) 5.297 4.415 ( -11.967 -3.926 3.642) 13.111 4.548 ( -11.753 3.806 -10.003) 15.896 4.914 ( 7.154 -1.666 0.931) 7.404 5.004 ( 12.449 -4.942 1.929) 13.533 5.613 ( 6.493 -2.451 -0.700) 6.975 6.520 ( -2.170 7.085 -11.239) 13.463 6.661 ( -6.271 5.415 14.078) 16.335 7.028 ( -2.507 -0.342 5.563) 6.111 7.150 ( 3.123 -8.053 -4.727) 9.846 7.952 ( -6.669 -0.659 1.196) 6.808 7.975 ( -3.182 -0.711 0.028) 3.260 8.323 ( -0.620 0.229 -1.362) 1.514 8.358 ( 2.354 -0.980 -1.420) 2.919 8.969 ( 1.030 3.215 -0.450) 3.406 9.011 ( -4.909 3.450 1.737) 6.247 9.388 ( -2.191 0.958 -3.887) 4.564 9.437 ( 4.488 -0.985 -0.187) 4.599 11.243 ( -7.035 2.973 -0.493) 7.654 11.516 ( -9.797 -3.809 8.223) 13.346 12.241 ( 5.665 1.012 -2.280) 6.190 12.543 ( 4.141 0.554 0.183) 4.182 12.597 ( 6.781 -2.349 3.288) 7.894 13.064 ( 5.312 -1.076 -1.011) 5.513 13.701 ( 5.330 -1.733 -3.671) 6.699 14.263 ( 10.227 1.399 2.235) 10.561 22.415 ( -4.294 -0.453 1.572) 4.595 22.627 ( -2.882 -0.378 -0.175) 2.912 23.592 ( 0.206 2.877 0.106) 2.886 23.673 ( -0.690 -2.679 -2.147) 3.502 23.688 ( 2.991 -0.616 0.742) 3.142 24.349 ( 8.515 -0.147 -1.586) 8.662 25.443 ( -4.786 5.105 3.429) 7.792 25.565 ( 3.209 0.792 -7.206) 7.928 25.703 ( -4.338 -0.045 -0.036) 4.338 26.390 ( 9.419 -3.322 7.343) 12.396 29.323 ( -2.185 0.415 0.873) 2.389 29.522 ( 3.081 0.801 -14.541) 14.885 29.951 ( 1.295 -0.272 0.006) 1.323 30.091 ( 0.026 -0.451 7.476) 7.490 46.761 ( -1.364 0.398 -3.550) 3.824 46.806 ( -3.506 0.694 4.854) 6.028 88.935 ( 8.235 -0.380 1.617) 8.401 89.309 ( 14.142 0.151 -1.303) 14.203 89.762 ( -7.549 0.756 -4.399) 8.769 90.731 ( 13.902 3.085 1.615) 14.331 ======================= Grid point 377 (189/196) ======================= q-point: (-0.20 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -11.890 2.771 -4.669) 13.070 2.310 ( -3.896 3.538 -6.169) 8.109 2.538 ( -12.637 4.817 3.101) 13.875 2.856 ( 0.219 -2.404 -1.588) 2.890 3.031 ( -1.524 7.503 1.280) 7.763 3.334 ( -11.784 7.810 2.519) 14.360 3.636 ( 4.062 1.766 0.652) 4.477 3.702 ( -0.664 1.727 -0.288) 1.873 3.995 ( 0.980 -1.849 1.860) 2.799 4.273 ( -11.623 2.649 -3.180) 12.338 4.376 ( -11.318 -11.536 2.857) 16.412 5.019 ( -4.055 -11.060 3.628) 12.326 5.295 ( 21.858 3.145 -1.299) 22.121 5.746 ( 5.298 -5.181 -0.670) 7.441 6.282 ( -3.477 11.286 -8.935) 14.809 6.550 ( -7.725 7.660 8.467) 13.786 7.049 ( -1.075 -3.193 1.959) 3.897 7.294 ( 3.582 -7.507 -0.165) 8.319 7.891 ( -4.205 -1.979 0.015) 4.647 7.978 ( 3.314 0.160 -0.280) 3.330 8.306 ( -1.685 -2.067 -1.630) 3.125 8.417 ( 5.110 0.029 0.060) 5.110 8.876 ( -6.741 5.854 3.051) 9.435 8.923 ( -3.207 3.191 1.085) 4.652 9.282 ( -4.384 0.506 -5.242) 6.852 9.503 ( 3.705 0.729 -0.467) 3.805 11.117 ( -3.903 3.441 -0.678) 5.247 11.505 ( -6.554 -4.324 7.441) 10.818 12.281 ( 3.668 1.340 -1.715) 4.265 12.579 ( 1.796 0.292 -0.359) 1.854 12.772 ( 9.499 -3.094 1.425) 10.091 13.114 ( 0.064 -0.281 -0.023) 0.289 13.812 ( 6.818 -4.730 -1.635) 8.458 14.366 ( 6.649 3.702 0.047) 7.610 22.391 ( -1.873 -0.918 1.896) 2.819 22.592 ( -2.134 -0.224 -0.306) 2.168 23.556 ( 0.538 2.283 -1.251) 2.658 23.670 ( -0.097 -0.590 -1.156) 1.301 23.763 ( 1.805 -2.558 1.314) 3.396 24.444 ( 6.156 0.015 -2.217) 6.544 25.315 ( -6.661 5.951 4.684) 10.086 25.553 ( 4.384 2.389 -7.968) 9.403 25.637 ( -4.149 -0.189 0.021) 4.154 26.625 ( 8.965 -4.029 6.703) 11.897 29.293 ( -1.443 1.217 1.008) 2.140 29.439 ( 1.730 1.269 -13.983) 14.147 29.970 ( 0.991 0.027 -0.191) 1.009 30.152 ( -0.025 -1.088 6.574) 6.664 46.716 ( -1.143 0.224 -2.498) 2.757 46.775 ( -3.638 0.804 3.873) 5.374 89.078 ( 8.081 -0.914 2.011) 8.378 89.438 ( 3.876 0.988 -3.222) 5.136 89.660 ( -0.403 0.208 -0.981) 1.081 90.855 ( 11.525 7.100 -2.850) 13.833 ======================= Grid point 378 (190/196) ======================= q-point: (-0.10 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -8.203 0.489 1.566) 8.365 2.062 ( -13.742 6.893 0.647) 15.387 2.419 ( 0.904 2.049 -3.984) 4.570 2.861 ( -1.306 -1.328 -2.113) 2.817 2.969 ( -1.663 1.653 2.155) 3.185 3.075 ( -8.995 7.946 1.358) 12.078 3.590 ( -3.845 1.142 1.344) 4.230 3.743 ( 3.741 1.132 -0.566) 3.949 4.012 ( -3.457 -3.704 -0.418) 5.084 4.143 ( -4.845 -1.148 2.072) 5.393 4.376 ( -14.540 -13.516 4.523) 20.360 5.105 ( -6.404 -10.563 2.982) 12.708 5.511 ( 16.233 4.660 -2.526) 17.076 5.835 ( -3.749 -5.667 -2.527) 7.249 6.095 ( 5.137 8.007 -4.889) 10.695 6.396 ( -4.062 9.600 3.089) 10.872 7.095 ( -0.557 -3.642 1.566) 4.003 7.392 ( -2.108 -4.798 2.255) 5.705 7.890 ( 1.029 -2.800 -2.066) 3.629 8.051 ( 8.212 1.919 -0.618) 8.456 8.301 ( -2.201 -3.121 -1.108) 3.977 8.489 ( 5.303 1.844 0.660) 5.653 8.732 ( -5.644 4.415 2.316) 7.530 8.832 ( -6.961 -0.172 -0.015) 6.963 9.205 ( 0.023 1.933 -1.659) 2.547 9.523 ( 1.609 1.196 -1.039) 2.258 11.045 ( 0.123 2.405 -1.371) 2.771 11.537 ( -2.169 -3.218 6.416) 7.498 12.285 ( 0.500 1.392 -1.207) 1.909 12.587 ( -0.171 -0.449 -0.731) 0.875 12.948 ( 8.309 -2.624 0.114) 8.714 13.070 ( -4.638 1.075 -0.392) 4.777 13.968 ( 4.800 -6.596 0.024) 8.158 14.351 ( 0.671 6.798 -1.817) 7.069 22.412 ( 1.133 -1.026 1.897) 2.436 22.569 ( -0.351 0.267 -0.420) 0.608 23.534 ( 0.284 1.382 -0.953) 1.703 23.664 ( -0.661 -0.154 -0.342) 0.760 23.811 ( -0.182 -1.835 1.131) 2.163 24.486 ( 2.508 1.019 -2.502) 3.686 25.198 ( -7.122 2.301 6.653) 10.014 25.487 ( 0.332 3.468 -8.087) 8.806 25.622 ( 1.361 -0.861 -1.300) 2.070 26.814 ( 5.922 -1.349 4.341) 7.465 29.269 ( -0.715 1.882 2.186) 2.972 29.351 ( 0.795 0.857 -11.222) 11.283 29.978 ( 0.326 0.093 -0.016) 0.340 30.202 ( -0.708 -1.080 4.469) 4.652 46.687 ( -1.319 0.168 -0.337) 1.372 46.746 ( -2.225 -0.412 1.355) 2.638 89.198 ( 3.680 -0.399 1.732) 4.087 89.379 ( -3.369 0.300 -1.875) 3.867 89.701 ( 3.309 0.585 -0.460) 3.391 90.830 ( 3.723 9.197 -6.912) 12.092 ======================= Grid point 386 (191/196) ======================= q-point: (-0.30 -0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -16.293 -0.000 -1.875) 16.400 2.340 ( 0.619 0.000 -11.368) 11.385 2.587 ( -13.427 -0.000 9.863) 16.660 2.824 ( 1.678 0.000 -0.711) 1.822 3.213 ( -4.989 -0.000 2.476) 5.570 3.394 ( -12.314 -0.000 0.409) 12.321 3.664 ( 9.619 0.000 -6.424) 11.567 3.716 ( -4.508 -0.000 2.022) 4.940 3.994 ( -1.381 -0.000 7.256) 7.387 4.177 ( -12.999 -0.000 -3.621) 13.493 4.358 ( -15.540 -0.000 1.148) 15.582 4.823 ( -6.353 -0.000 3.269) 7.145 5.341 ( 24.095 0.000 -1.775) 24.160 5.679 ( 4.429 0.000 0.405) 4.448 6.499 ( 3.831 0.000 -13.212) 13.757 6.583 ( -17.290 -0.000 10.036) 19.992 7.085 ( 6.784 0.000 -7.953) 10.454 7.109 ( -1.687 -0.000 10.930) 11.060 7.868 ( -3.985 -0.000 -0.326) 3.999 7.979 ( 3.916 0.000 0.568) 3.957 8.280 ( -2.064 -0.000 -2.198) 3.016 8.416 ( 5.595 0.000 0.899) 5.667 8.949 ( -7.104 -0.000 0.251) 7.109 8.968 ( -6.895 -0.000 3.137) 7.575 9.290 ( -3.181 -0.000 -5.300) 6.182 9.514 ( 4.906 0.000 -1.003) 5.007 11.178 ( -3.766 -0.000 -1.680) 4.123 11.434 ( -6.896 -0.000 10.211) 12.321 12.299 ( 3.430 0.000 -1.630) 3.797 12.584 ( 1.616 0.000 -1.763) 2.391 12.728 ( 9.791 0.000 2.808) 10.186 13.108 ( 1.392 0.000 -0.183) 1.404 13.751 ( 6.043 0.000 -1.897) 6.334 14.412 ( 7.946 0.000 -0.491) 7.961 22.379 ( -1.909 -0.000 1.937) 2.720 22.588 ( -1.770 -0.000 -0.251) 1.788 23.607 ( -0.097 -0.000 -3.880) 3.882 23.638 ( -0.269 -0.000 1.584) 1.607 23.734 ( 2.213 0.000 2.294) 3.188 24.442 ( 6.754 0.000 -2.977) 7.381 25.407 ( -6.851 -0.000 0.785) 6.896 25.576 ( 4.295 0.000 -5.871) 7.274 25.636 ( -5.017 -0.000 0.124) 5.019 26.568 ( 10.250 0.000 7.808) 12.885 29.309 ( -1.090 -0.000 0.984) 1.468 29.457 ( 2.242 0.000 -15.362) 15.525 29.973 ( 1.800 0.000 -0.820) 1.978 30.137 ( -0.938 -0.000 8.304) 8.357 46.717 ( -1.309 -0.000 -3.415) 3.657 46.787 ( -4.548 -0.000 4.923) 6.703 89.067 ( 8.127 0.000 2.247) 8.432 89.452 ( 4.736 0.000 -3.842) 6.099 89.663 ( -1.300 -0.000 -0.986) 1.632 90.952 ( 14.124 0.000 -4.219) 14.741 ======================= Grid point 387 (192/196) ======================= q-point: (-0.20 -0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -12.640 0.635 5.902) 13.964 2.191 ( -14.433 2.364 -1.042) 14.663 2.493 ( -0.626 3.103 -0.026) 3.165 2.842 ( 0.872 -0.264 -1.363) 1.639 3.072 ( -7.859 6.918 1.975) 10.654 3.221 ( -12.281 0.486 -0.073) 12.291 3.628 ( -7.142 1.436 3.173) 7.945 3.735 ( 4.194 -1.917 -4.852) 6.694 3.972 ( -5.283 1.641 -1.230) 5.667 4.057 ( -9.131 -6.830 0.607) 11.419 4.144 ( -16.540 -1.813 10.245) 19.541 4.819 ( -5.090 -9.269 0.416) 10.583 5.604 ( 14.544 2.522 -0.597) 14.773 5.721 ( -1.733 -2.924 -1.266) 3.627 6.334 ( -3.927 9.600 -0.038) 10.372 6.531 ( 1.120 -1.016 -4.295) 4.553 7.062 ( 1.284 3.341 0.193) 3.584 7.229 ( -0.074 -7.950 1.615) 8.113 7.832 ( -1.003 -1.424 -2.582) 3.114 8.081 ( 8.752 0.553 0.999) 8.826 8.258 ( 0.535 -0.595 -0.795) 1.128 8.515 ( 6.299 0.518 2.190) 6.689 8.785 ( -12.675 -0.068 -2.245) 12.872 8.868 ( -7.526 2.137 3.383) 8.523 9.245 ( 0.852 0.938 -1.903) 2.287 9.553 ( 2.505 0.938 -1.667) 3.151 11.116 ( -0.424 2.454 -1.886) 3.124 11.458 ( -2.549 -2.508 10.243) 10.849 12.314 ( 0.542 0.754 -1.182) 1.503 12.575 ( -0.747 -0.376 -2.548) 2.682 12.896 ( 9.557 -1.242 1.153) 9.706 13.087 ( -3.822 0.341 -0.164) 3.841 13.846 ( 5.113 -2.798 -0.306) 5.836 14.471 ( 3.980 2.657 -3.806) 6.114 22.392 ( 1.338 -0.451 2.367) 2.756 22.573 ( 0.060 0.054 -0.459) 0.466 23.574 ( 0.510 1.589 -2.471) 2.982 23.646 ( -0.972 -1.159 0.180) 1.523 23.779 ( 0.274 -0.620 3.968) 4.025 24.497 ( 4.171 0.087 -4.463) 6.109 25.270 ( -9.541 2.309 0.494) 9.828 25.549 ( -5.693 0.869 -1.589) 5.975 25.609 ( 5.520 0.257 -4.506) 7.130 26.781 ( 10.291 -0.981 6.135) 12.021 29.305 ( -0.209 0.828 1.756) 1.953 29.371 ( 1.228 0.586 -13.943) 14.009 29.982 ( 0.952 0.260 -1.748) 2.008 30.183 ( -1.543 -0.501 8.160) 8.320 46.679 ( -0.912 -0.363 -2.968) 3.126 46.749 ( -4.897 0.257 4.310) 6.528 89.195 ( 6.356 0.022 2.904) 6.987 89.381 ( -7.032 -0.034 -2.856) 7.590 89.714 ( 5.641 0.321 -0.984) 5.735 91.035 ( 8.625 5.505 -12.476) 16.135 ======================= Grid point 388 (193/196) ======================= q-point: (-0.10 -0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -7.489 -0.497 14.101) 15.974 1.900 ( -19.218 3.114 4.957) 20.090 2.470 ( 4.896 5.268 -5.100) 8.816 2.797 ( -2.599 0.585 -7.012) 7.501 2.946 ( -5.599 -0.045 4.072) 6.924 3.028 ( -9.715 2.010 1.121) 9.984 3.544 ( -6.351 0.574 4.536) 7.826 3.752 ( -1.438 0.498 -3.622) 3.929 3.852 ( -15.929 -10.304 4.584) 19.517 4.016 ( -6.786 -5.324 1.998) 8.854 4.101 ( -7.724 -4.718 8.717) 12.566 4.879 ( -4.518 -11.842 -1.797) 12.802 5.641 ( -7.328 -3.535 -1.682) 8.308 5.732 ( 5.515 2.223 -3.153) 6.731 6.249 ( 4.577 6.785 1.520) 8.325 6.503 ( 5.599 8.254 -4.799) 11.068 7.062 ( -0.082 -1.635 0.036) 1.638 7.305 ( -2.184 -5.728 1.186) 6.244 7.830 ( -1.179 -4.578 -4.329) 6.410 8.206 ( 8.736 1.309 -0.001) 8.834 8.289 ( 2.493 0.958 0.959) 2.838 8.588 ( 2.230 1.803 -0.941) 3.018 8.601 ( -8.971 -1.653 -2.633) 9.494 8.787 ( -2.052 2.469 5.425) 6.304 9.258 ( 3.169 1.039 1.095) 3.510 9.538 ( -0.741 1.470 -1.910) 2.521 11.090 ( 3.403 2.494 -2.109) 4.717 11.556 ( 1.772 -2.557 9.120) 9.636 12.278 ( -2.740 1.373 -1.044) 3.237 12.545 ( -2.002 -1.393 -2.773) 3.693 12.991 ( -5.823 1.496 -0.307) 6.020 13.044 ( 6.280 -1.544 -0.214) 6.471 13.943 ( 1.309 -4.745 -0.043) 4.923 14.389 ( -3.210 6.405 -6.344) 9.569 22.462 ( 4.968 -0.233 2.365) 5.507 22.585 ( 2.317 0.189 -0.201) 2.333 23.538 ( -1.106 1.766 -1.631) 2.646 23.641 ( -1.410 -0.829 -0.172) 1.644 23.811 ( -1.298 -0.278 5.333) 5.495 24.479 ( -1.112 0.581 -6.693) 6.810 25.124 ( -9.576 -0.619 3.297) 10.147 25.431 ( -5.438 1.317 -4.261) 7.033 25.663 ( 6.544 0.697 -3.334) 7.377 26.935 ( 6.536 2.360 1.651) 7.143 29.288 ( 0.427 0.393 -8.675) 8.694 29.311 ( 0.655 1.292 2.221) 2.652 29.977 ( 0.373 -0.247 -1.712) 1.769 30.212 ( -2.636 0.088 6.928) 7.413 46.659 ( -0.692 -0.861 -1.770) 2.086 46.708 ( -3.948 -0.613 2.618) 4.777 89.192 ( -7.719 2.002 0.299) 7.980 89.358 ( 3.375 -2.729 2.405) 4.962 89.740 ( 0.923 2.509 -2.754) 3.838 90.861 ( -4.295 9.201 -18.516) 21.117 ======================= Grid point 397 (194/196) ======================= q-point: (-0.20 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -9.626 -0.000 15.280) 18.059 1.954 ( -22.138 -0.000 6.401) 23.045 2.565 ( 8.085 0.000 -4.093) 9.062 2.834 ( -0.230 -0.000 -3.950) 3.956 2.984 ( -15.326 -0.000 2.455) 15.521 2.993 ( -12.984 -0.000 -1.749) 13.101 3.563 ( -6.328 -0.000 5.012) 8.072 3.642 ( -10.100 -0.000 -3.880) 10.820 3.840 ( -14.222 -0.000 1.865) 14.344 3.967 ( -7.642 -0.000 4.680) 8.962 3.986 ( -5.236 -0.000 10.594) 11.817 4.704 ( -1.733 -0.000 -2.902) 3.380 5.589 ( -10.240 -0.000 -2.233) 10.480 5.767 ( 6.713 0.000 -2.225) 7.072 6.373 ( -2.528 -0.000 9.486) 9.817 6.582 ( 13.830 0.000 -12.714) 18.786 7.130 ( -4.431 -0.000 4.879) 6.590 7.140 ( 3.269 0.000 -5.442) 6.348 7.766 ( -2.907 -0.000 -4.315) 5.203 8.220 ( 7.264 0.000 2.111) 7.564 8.304 ( 3.453 0.000 0.202) 3.459 8.582 ( -8.698 -0.000 -2.824) 9.145 8.613 ( 3.815 0.000 -0.771) 3.892 8.819 ( -3.396 -0.000 6.355) 7.206 9.272 ( 2.540 0.000 0.204) 2.548 9.561 ( -0.964 -0.000 -1.740) 1.989 11.132 ( 3.084 0.000 -3.168) 4.421 11.516 ( 1.340 0.000 11.710) 11.786 12.296 ( -2.648 -0.000 -0.883) 2.791 12.524 ( -2.177 -0.000 -3.799) 4.379 13.012 ( -6.358 -0.000 -0.234) 6.362 13.021 ( 7.662 0.000 0.246) 7.665 13.880 ( 1.829 0.000 -0.054) 1.830 14.472 ( -0.863 -0.000 -8.586) 8.629 22.458 ( 5.595 0.000 3.026) 6.361 22.587 ( 2.258 0.000 -0.425) 2.297 23.571 ( 0.317 0.000 -3.564) 3.578 23.620 ( -2.170 -0.000 1.316) 2.538 23.808 ( -1.080 -0.000 6.552) 6.641 24.485 ( -0.660 -0.000 -8.269) 8.295 25.118 ( -11.516 -0.000 -0.762) 11.541 25.447 ( -7.607 -0.000 -1.055) 7.679 25.677 ( 7.518 0.000 -3.926) 8.482 26.967 ( 10.553 0.000 2.061) 10.752 29.293 ( 0.340 0.000 -11.114) 11.119 29.330 ( 0.703 0.000 2.752) 2.840 29.974 ( 0.229 0.000 -2.955) 2.964 30.213 ( -2.681 -0.000 9.197) 9.580 46.644 ( -0.527 -0.000 -2.941) 2.988 46.704 ( -5.360 -0.000 3.997) 6.686 89.233 ( -10.460 -0.000 -0.713) 10.484 89.307 ( 5.056 0.000 3.948) 6.415 89.772 ( 3.586 0.000 -3.171) 4.787 91.000 ( -1.784 -0.000 -24.925) 24.989 ======================= Grid point 398 (195/196) ======================= q-point: (-0.10 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -19.170 0.963 9.709) 21.510 1.706 ( -11.332 -2.040 20.741) 23.723 2.597 ( 2.125 9.391 -3.937) 10.402 2.691 ( -4.345 0.975 -10.061) 11.002 2.805 ( -14.077 -6.007 -4.075) 15.838 2.881 ( -5.701 -2.819 5.817) 8.618 3.410 ( -25.858 -7.398 9.275) 28.450 3.531 ( -5.054 -1.214 4.748) 7.040 3.716 ( -2.472 1.346 0.420) 2.846 3.891 ( -9.360 -3.255 4.126) 10.735 4.079 ( 3.022 -3.258 9.882) 10.835 4.706 ( 0.010 -6.482 -5.066) 8.227 5.441 ( -9.808 -3.408 -1.177) 10.450 5.790 ( 3.089 1.542 -7.133) 7.924 6.407 ( 2.466 5.142 7.657) 9.547 6.687 ( 14.101 4.915 -8.743) 17.304 7.046 ( -2.848 2.185 -0.258) 3.599 7.208 ( -0.476 -6.827 -1.217) 6.951 7.715 ( -3.067 -3.281 -2.267) 5.031 8.241 ( -9.086 -1.166 -2.347) 9.457 8.300 ( 1.587 0.193 1.887) 2.473 8.569 ( 2.722 3.093 -1.790) 4.492 8.609 ( 4.571 0.298 -2.052) 5.019 8.896 ( 5.550 1.158 8.489) 10.208 9.322 ( 4.004 -0.118 0.815) 4.088 9.494 ( -5.717 0.794 -1.864) 6.065 11.167 ( 6.782 1.332 -3.797) 7.886 11.645 ( 3.348 -1.390 10.627) 11.228 12.227 ( -4.873 1.003 -1.101) 5.095 12.472 ( -2.125 -1.235 -3.480) 4.260 12.909 ( -5.918 0.960 -0.953) 6.071 13.117 ( 5.233 -0.428 -0.556) 5.280 13.889 ( -2.398 -2.240 -0.750) 3.366 14.296 ( -10.674 3.936 -11.468) 16.154 22.590 ( 9.232 1.303 2.293) 9.602 22.638 ( 5.346 -0.576 0.831) 5.441 23.525 ( -1.854 2.072 -2.535) 3.763 23.604 ( -2.264 -1.034 1.116) 2.728 23.836 ( -2.281 0.344 7.788) 8.122 24.332 ( -10.719 -1.040 -12.169) 16.250 24.987 ( -8.005 -2.061 2.832) 8.738 25.319 ( -7.375 0.234 -3.114) 8.009 25.768 ( 8.936 1.020 -2.364) 9.300 27.051 ( 3.843 4.000 -5.538) 7.838 29.251 ( 2.459 -0.354 -4.213) 4.891 29.364 ( 1.265 0.738 4.024) 4.282 29.959 ( 0.382 -0.596 -2.723) 2.813 30.226 ( -4.280 0.773 8.764) 9.783 46.626 ( -0.119 -0.886 -2.443) 2.601 46.657 ( -4.715 -0.589 3.075) 5.660 89.066 ( -11.293 0.788 0.589) 11.336 89.409 ( 3.214 -1.855 4.490) 5.825 89.755 ( 0.035 3.799 -5.303) 6.523 90.604 ( -19.773 3.831 -30.083) 36.203 ======================= Grid point 408 (196/196) ======================= q-point: (-0.10 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 4.63e-04 4.63e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -23.591 -0.000 14.958) 27.933 1.667 ( -13.974 -0.000 16.317) 21.483 2.449 ( -18.857 -0.000 -0.908) 18.879 2.536 ( -5.278 -0.000 -14.520) 15.449 2.763 ( 8.280 0.000 -6.008) 10.230 2.767 ( -18.868 -0.000 18.358) 26.325 3.081 ( -10.473 -0.000 2.902) 10.867 3.520 ( -3.133 -0.000 6.455) 7.175 3.722 ( 0.210 0.000 1.028) 1.049 3.765 ( -7.444 -0.000 2.036) 7.718 4.231 ( 8.766 0.000 12.032) 14.887 4.641 ( 2.023 0.000 -5.881) 6.220 5.294 ( -7.121 -0.000 1.750) 7.333 5.768 ( 3.116 0.000 -13.424) 13.781 6.541 ( 2.329 0.000 9.342) 9.628 6.866 ( 12.654 0.000 -6.147) 14.068 7.022 ( -1.647 -0.000 -2.933) 3.364 7.136 ( -0.467 -0.000 -0.878) 0.994 7.653 ( -3.117 -0.000 4.272) 5.288 8.110 ( -3.209 -0.000 -2.749) 4.225 8.285 ( -5.266 -0.000 1.985) 5.628 8.527 ( -2.350 -0.000 -5.320) 5.816 8.768 ( 9.452 0.000 1.172) 9.524 9.048 ( 5.247 0.000 7.717) 9.332 9.371 ( -9.104 -0.000 -1.893) 9.298 9.386 ( 4.761 0.000 -0.624) 4.801 11.266 ( 10.429 0.000 -5.560) 11.819 11.727 ( -3.074 -0.000 8.993) 9.503 12.174 ( -0.527 -0.000 -0.816) 0.971 12.414 ( -1.954 -0.000 -1.902) 2.727 12.843 ( -1.741 -0.000 -2.473) 3.024 13.173 ( 3.497 0.000 -1.316) 3.736 13.809 ( -5.215 -0.000 -1.969) 5.574 13.991 ( -22.577 -0.000 -11.209) 25.206 22.714 ( 5.977 0.000 1.239) 6.104 22.806 ( 14.954 0.000 1.320) 15.012 23.494 ( -1.640 -0.000 -3.298) 3.683 23.580 ( -1.534 -0.000 3.219) 3.566 23.850 ( -4.386 -0.000 7.925) 9.058 23.989 ( -20.594 -0.000 -11.774) 23.722 24.911 ( -4.438 -0.000 4.021) 5.989 25.188 ( -6.511 -0.000 -4.290) 7.797 25.907 ( 10.651 0.000 -0.362) 10.657 26.995 ( -7.250 -0.000 -12.351) 14.322 29.328 ( 10.098 0.000 1.087) 10.156 29.419 ( 1.222 0.000 4.833) 4.986 29.952 ( 2.123 0.000 -2.156) 3.026 30.218 ( -6.542 -0.000 8.756) 10.930 46.605 ( 0.712 0.000 -2.776) 2.866 46.607 ( -4.586 -0.000 3.286) 5.642 88.914 ( -10.121 -0.000 0.360) 10.128 89.456 ( -0.227 -0.000 3.794) 3.801 89.759 ( 1.480 0.000 -6.314) 6.485 89.970 ( -36.486 -0.000 -26.544) 45.120 =================== 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 3/37800 10.0 152.990 160.939 152.518 -0.000 -13.996 -0.000 3/37800 20.0 53.418 48.381 36.382 -0.000 -7.792 -0.000 3/37800 30.0 28.044 25.011 16.801 -0.000 -3.995 -0.000 3/37800 40.0 18.665 16.425 10.699 -0.000 -2.704 -0.000 3/37800 50.0 13.813 11.997 7.817 -0.000 -2.052 -0.000 3/37800 60.0 10.867 9.326 6.134 -0.000 -1.650 -0.000 3/37800 70.0 8.910 7.568 5.033 -0.000 -1.376 -0.000 3/37800 80.0 7.529 6.340 4.260 -0.000 -1.177 -0.000 3/37800 90.0 6.512 5.443 3.691 -0.000 -1.027 -0.000 3/37800 100.0 5.737 4.764 3.255 -0.000 -0.910 -0.000 3/37800 110.0 5.129 4.233 2.912 -0.000 -0.816 -0.000 3/37800 120.0 4.641 3.809 2.636 -0.000 -0.740 -0.000 3/37800 130.0 4.242 3.462 2.409 -0.000 -0.677 -0.000 3/37800 140.0 3.910 3.175 2.220 -0.000 -0.624 -0.000 3/37800 150.0 3.630 2.932 2.060 -0.000 -0.579 -0.000 3/37800 160.0 3.390 2.725 1.923 -0.000 -0.540 -0.000 3/37800 170.0 3.184 2.546 1.805 -0.000 -0.506 -0.000 3/37800 180.0 3.003 2.391 1.702 -0.000 -0.476 -0.000 3/37800 190.0 2.844 2.254 1.611 -0.000 -0.450 -0.000 3/37800 200.0 2.703 2.133 1.531 -0.000 -0.426 -0.000 3/37800 210.0 2.578 2.025 1.459 -0.000 -0.405 -0.000 3/37800 220.0 2.464 1.928 1.395 -0.000 -0.386 -0.000 3/37800 230.0 2.362 1.841 1.338 -0.000 -0.369 -0.000 3/37800 240.0 2.269 1.761 1.286 -0.000 -0.354 -0.000 3/37800 250.0 2.184 1.689 1.238 -0.000 -0.339 -0.000 3/37800 260.0 2.106 1.623 1.194 -0.000 -0.326 -0.000 3/37800 270.0 2.033 1.562 1.154 -0.000 -0.314 -0.000 3/37800 280.0 1.967 1.506 1.117 -0.000 -0.303 -0.000 3/37800 290.0 1.904 1.454 1.083 -0.000 -0.293 -0.000 3/37800 300.0 1.847 1.406 1.051 -0.000 -0.283 -0.000 3/37800 310.0 1.792 1.361 1.022 -0.000 -0.274 -0.000 3/37800 320.0 1.742 1.319 0.994 -0.000 -0.266 -0.000 3/37800 330.0 1.694 1.279 0.968 -0.000 -0.258 -0.000 3/37800 340.0 1.649 1.243 0.943 -0.000 -0.251 -0.000 3/37800 350.0 1.606 1.208 0.920 -0.000 -0.244 -0.000 3/37800 360.0 1.566 1.175 0.898 -0.000 -0.238 -0.000 3/37800 370.0 1.528 1.144 0.878 -0.000 -0.231 -0.000 3/37800 380.0 1.491 1.115 0.858 -0.000 -0.226 -0.000 3/37800 390.0 1.457 1.087 0.839 -0.000 -0.220 -0.000 3/37800 400.0 1.424 1.061 0.822 -0.000 -0.215 -0.000 3/37800 410.0 1.392 1.036 0.805 -0.000 -0.210 -0.000 3/37800 420.0 1.362 1.012 0.788 -0.000 -0.205 -0.000 3/37800 430.0 1.334 0.990 0.773 -0.000 -0.200 -0.000 3/37800 440.0 1.306 0.968 0.758 -0.000 -0.196 -0.000 3/37800 450.0 1.280 0.947 0.744 -0.000 -0.192 -0.000 3/37800 460.0 1.255 0.927 0.730 -0.000 -0.188 -0.000 3/37800 470.0 1.230 0.908 0.717 -0.000 -0.184 -0.000 3/37800 480.0 1.207 0.890 0.704 -0.000 -0.180 -0.000 3/37800 490.0 1.184 0.873 0.692 -0.000 -0.177 -0.000 3/37800 500.0 1.163 0.856 0.680 -0.000 -0.174 -0.000 3/37800 510.0 1.142 0.840 0.668 -0.000 -0.170 -0.000 3/37800 520.0 1.122 0.824 0.657 -0.000 -0.167 -0.000 3/37800 530.0 1.102 0.809 0.647 -0.000 -0.164 -0.000 3/37800 540.0 1.084 0.795 0.636 -0.000 -0.161 -0.000 3/37800 550.0 1.066 0.781 0.626 -0.000 -0.158 -0.000 3/37800 560.0 1.048 0.768 0.617 -0.000 -0.156 -0.000 3/37800 570.0 1.031 0.755 0.607 -0.000 -0.153 -0.000 3/37800 580.0 1.015 0.742 0.598 -0.000 -0.151 -0.000 3/37800 590.0 0.999 0.730 0.590 -0.000 -0.148 -0.000 3/37800 600.0 0.984 0.718 0.581 -0.000 -0.146 -0.000 3/37800 610.0 0.969 0.707 0.573 -0.000 -0.143 -0.000 3/37800 620.0 0.954 0.696 0.565 -0.000 -0.141 -0.000 3/37800 630.0 0.940 0.686 0.557 -0.000 -0.139 -0.000 3/37800 640.0 0.927 0.675 0.549 -0.000 -0.137 -0.000 3/37800 650.0 0.913 0.665 0.542 -0.000 -0.135 -0.000 3/37800 660.0 0.900 0.656 0.535 -0.000 -0.133 -0.000 3/37800 670.0 0.888 0.646 0.528 -0.000 -0.131 -0.000 3/37800 680.0 0.876 0.637 0.521 -0.000 -0.129 -0.000 3/37800 690.0 0.864 0.628 0.514 -0.000 -0.127 -0.000 3/37800 700.0 0.853 0.619 0.508 -0.000 -0.126 -0.000 3/37800 710.0 0.841 0.611 0.501 -0.000 -0.124 -0.000 3/37800 720.0 0.830 0.603 0.495 -0.000 -0.122 -0.000 3/37800 730.0 0.820 0.595 0.489 -0.000 -0.121 -0.000 3/37800 740.0 0.810 0.587 0.483 -0.000 -0.119 -0.000 3/37800 750.0 0.799 0.580 0.478 -0.000 -0.118 -0.000 3/37800 760.0 0.790 0.572 0.472 -0.000 -0.116 -0.000 3/37800 770.0 0.780 0.565 0.467 -0.000 -0.115 -0.000 3/37800 780.0 0.771 0.558 0.461 -0.000 -0.113 -0.000 3/37800 790.0 0.762 0.551 0.456 -0.000 -0.112 -0.000 3/37800 800.0 0.753 0.545 0.451 -0.000 -0.110 -0.000 3/37800 810.0 0.744 0.538 0.446 -0.000 -0.109 -0.000 3/37800 820.0 0.735 0.532 0.441 -0.000 -0.108 -0.000 3/37800 830.0 0.727 0.526 0.436 -0.000 -0.106 -0.000 3/37800 840.0 0.719 0.520 0.432 -0.000 -0.105 -0.000 3/37800 850.0 0.711 0.514 0.427 -0.000 -0.104 -0.000 3/37800 860.0 0.703 0.508 0.423 -0.000 -0.103 -0.000 3/37800 870.0 0.696 0.502 0.418 -0.000 -0.102 -0.000 3/37800 880.0 0.688 0.497 0.414 -0.000 -0.101 -0.000 3/37800 890.0 0.681 0.491 0.410 -0.000 -0.099 -0.000 3/37800 900.0 0.674 0.486 0.406 -0.000 -0.098 -0.000 3/37800 910.0 0.667 0.481 0.402 -0.000 -0.097 -0.000 3/37800 920.0 0.660 0.476 0.398 -0.000 -0.096 -0.000 3/37800 930.0 0.653 0.471 0.394 -0.000 -0.095 -0.000 3/37800 940.0 0.647 0.466 0.390 -0.000 -0.094 -0.000 3/37800 950.0 0.641 0.461 0.386 -0.000 -0.093 -0.000 3/37800 960.0 0.634 0.457 0.383 -0.000 -0.092 -0.000 3/37800 970.0 0.628 0.452 0.379 -0.000 -0.091 -0.000 3/37800 980.0 0.622 0.448 0.376 -0.000 -0.090 -0.000 3/37800 990.0 0.616 0.443 0.372 -0.000 -0.090 -0.000 3/37800 1000.0 0.610 0.439 0.369 -0.000 -0.089 -0.000 3/37800 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:51:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|