----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:44:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/m (84) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.649754840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.649754840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.576477240000000 Atomic positions (fractional): *1 La 0.10749253748444 0.73657842187087 0.50000000000000 138.905 2 La 0.73657842187087 0.89250746251556 0.00000000000000 138.905 3 La 0.89250746251556 0.26342157812913 0.50000000000000 138.905 4 La 0.26342157812913 0.10749253748444 0.00000000000000 138.905 *5 Pd 0.31059471103447 0.59512264564537 0.00000000000000 106.420 6 Pd 0.40487735435463 0.31059471103447 0.50000000000000 106.420 7 Pd 0.68940528896553 0.40487735435463 0.00000000000000 106.420 8 Pd 0.59512264564537 0.68940528896553 0.50000000000000 106.420 *9 O 0.79991516218702 0.59385544248335 0.25758785493601 15.999 10 O 0.40614455751665 0.79991516218702 0.75758785493601 15.999 11 O 0.20008483781298 0.40614455751665 0.74241214506399 15.999 12 O 0.20008483781298 0.40614455751665 0.25758785493601 15.999 *13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 14 O 0.59385544248335 0.20008483781298 0.75758785493601 15.999 15 O 0.59385544248335 0.20008483781298 0.24241214506399 15.999 16 O 0.79991516218702 0.59385544248335 0.74241214506399 15.999 17 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 18 O 0.40614455751665 0.79991516218702 0.24241214506399 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.649754840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.649754840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.576477240000000 Atomic positions (fractional): *1 La 0.10749253748444 0.73657842187087 0.50000000000000 138.905 > 1 2 La 0.73657842187087 0.89250746251556 0.00000000000000 138.905 > 2 3 La 0.89250746251556 0.26342157812913 0.50000000000000 138.905 > 3 4 La 0.26342157812913 0.10749253748444 0.00000000000000 138.905 > 4 *5 Pd 0.31059471103447 0.59512264564537 0.00000000000000 106.420 > 5 6 Pd 0.40487735435463 0.31059471103447 0.50000000000000 106.420 > 6 7 Pd 0.68940528896553 0.40487735435463 0.00000000000000 106.420 > 7 8 Pd 0.59512264564537 0.68940528896553 0.50000000000000 106.420 > 8 *9 O 0.79991516218702 0.59385544248335 0.25758785493601 15.999 > 9 10 O 0.40614455751665 0.79991516218702 0.75758785493601 15.999 > 10 11 O 0.20008483781298 0.40614455751665 0.74241214506399 15.999 > 11 12 O 0.20008483781298 0.40614455751665 0.25758785493601 15.999 > 12 *13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 13 14 O 0.59385544248335 0.20008483781298 0.75758785493601 15.999 > 14 15 O 0.59385544248335 0.20008483781298 0.24241214506399 15.999 > 15 16 O 0.79991516218702 0.59385544248335 0.74241214506399 15.999 > 16 17 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 17 18 O 0.40614455751665 0.79991516218702 0.24241214506399 15.999 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.299509680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.299509680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.152954480000000 Atomic positions (fractional): *1 La 0.05374626874222 0.36828921093544 0.25000000000000 138.905 > 1 2 La 0.55374626874222 0.36828921093544 0.25000000000000 138.905 > 1 3 La 0.05374626874222 0.86828921093544 0.25000000000000 138.905 > 1 4 La 0.55374626874222 0.86828921093544 0.25000000000000 138.905 > 1 5 La 0.05374626874222 0.36828921093544 0.75000000000000 138.905 > 1 6 La 0.55374626874222 0.36828921093544 0.75000000000000 138.905 > 1 7 La 0.05374626874222 0.86828921093544 0.75000000000000 138.905 > 1 8 La 0.55374626874222 0.86828921093544 0.75000000000000 138.905 > 1 9 La 0.36828921093544 0.44625373125778 0.00000000000000 138.905 > 2 10 La 0.86828921093544 0.44625373125778 0.00000000000000 138.905 > 2 11 La 0.36828921093544 0.94625373125778 0.00000000000000 138.905 > 2 12 La 0.86828921093544 0.94625373125778 0.00000000000000 138.905 > 2 13 La 0.36828921093544 0.44625373125778 0.50000000000000 138.905 > 2 14 La 0.86828921093544 0.44625373125778 0.50000000000000 138.905 > 2 15 La 0.36828921093544 0.94625373125778 0.50000000000000 138.905 > 2 16 La 0.86828921093544 0.94625373125778 0.50000000000000 138.905 > 2 17 La 0.44625373125778 0.13171078906456 0.25000000000000 138.905 > 3 18 La 0.94625373125778 0.13171078906456 0.25000000000000 138.905 > 3 19 La 0.44625373125778 0.63171078906456 0.25000000000000 138.905 > 3 20 La 0.94625373125778 0.63171078906456 0.25000000000000 138.905 > 3 21 La 0.44625373125778 0.13171078906456 0.75000000000000 138.905 > 3 22 La 0.94625373125778 0.13171078906456 0.75000000000000 138.905 > 3 23 La 0.44625373125778 0.63171078906456 0.75000000000000 138.905 > 3 24 La 0.94625373125778 0.63171078906456 0.75000000000000 138.905 > 3 25 La 0.13171078906456 0.05374626874222 0.00000000000000 138.905 > 4 26 La 0.63171078906456 0.05374626874222 0.00000000000000 138.905 > 4 27 La 0.13171078906456 0.55374626874222 0.00000000000000 138.905 > 4 28 La 0.63171078906456 0.55374626874222 0.00000000000000 138.905 > 4 29 La 0.13171078906456 0.05374626874222 0.50000000000000 138.905 > 4 30 La 0.63171078906456 0.05374626874222 0.50000000000000 138.905 > 4 31 La 0.13171078906456 0.55374626874222 0.50000000000000 138.905 > 4 32 La 0.63171078906456 0.55374626874222 0.50000000000000 138.905 > 4 *33 Pd 0.15529735551723 0.29756132282268 0.00000000000000 106.420 > 5 34 Pd 0.65529735551723 0.29756132282268 0.00000000000000 106.420 > 5 35 Pd 0.15529735551723 0.79756132282268 0.00000000000000 106.420 > 5 36 Pd 0.65529735551723 0.79756132282268 0.00000000000000 106.420 > 5 37 Pd 0.15529735551723 0.29756132282268 0.50000000000000 106.420 > 5 38 Pd 0.65529735551723 0.29756132282268 0.50000000000000 106.420 > 5 39 Pd 0.15529735551723 0.79756132282268 0.50000000000000 106.420 > 5 40 Pd 0.65529735551723 0.79756132282268 0.50000000000000 106.420 > 5 41 Pd 0.20243867717732 0.15529735551723 0.25000000000000 106.420 > 6 42 Pd 0.70243867717732 0.15529735551723 0.25000000000000 106.420 > 6 43 Pd 0.20243867717732 0.65529735551723 0.25000000000000 106.420 > 6 44 Pd 0.70243867717732 0.65529735551723 0.25000000000000 106.420 > 6 45 Pd 0.20243867717732 0.15529735551723 0.75000000000000 106.420 > 6 46 Pd 0.70243867717732 0.15529735551723 0.75000000000000 106.420 > 6 47 Pd 0.20243867717732 0.65529735551723 0.75000000000000 106.420 > 6 48 Pd 0.70243867717732 0.65529735551723 0.75000000000000 106.420 > 6 49 Pd 0.34470264448277 0.20243867717732 0.00000000000000 106.420 > 7 50 Pd 0.84470264448277 0.20243867717732 0.00000000000000 106.420 > 7 51 Pd 0.34470264448277 0.70243867717732 0.00000000000000 106.420 > 7 52 Pd 0.84470264448277 0.70243867717732 0.00000000000000 106.420 > 7 53 Pd 0.34470264448277 0.20243867717732 0.50000000000000 106.420 > 7 54 Pd 0.84470264448277 0.20243867717732 0.50000000000000 106.420 > 7 55 Pd 0.34470264448277 0.70243867717732 0.50000000000000 106.420 > 7 56 Pd 0.84470264448277 0.70243867717732 0.50000000000000 106.420 > 7 57 Pd 0.29756132282268 0.34470264448277 0.25000000000000 106.420 > 8 58 Pd 0.79756132282268 0.34470264448277 0.25000000000000 106.420 > 8 59 Pd 0.29756132282268 0.84470264448277 0.25000000000000 106.420 > 8 60 Pd 0.79756132282268 0.84470264448277 0.25000000000000 106.420 > 8 61 Pd 0.29756132282268 0.34470264448277 0.75000000000000 106.420 > 8 62 Pd 0.79756132282268 0.34470264448277 0.75000000000000 106.420 > 8 63 Pd 0.29756132282268 0.84470264448277 0.75000000000000 106.420 > 8 64 Pd 0.79756132282268 0.84470264448277 0.75000000000000 106.420 > 8 *65 O 0.39995758109351 0.29692772124167 0.12879392746800 15.999 > 9 66 O 0.89995758109351 0.29692772124167 0.12879392746800 15.999 > 9 67 O 0.39995758109351 0.79692772124167 0.12879392746800 15.999 > 9 68 O 0.89995758109351 0.79692772124167 0.12879392746800 15.999 > 9 69 O 0.39995758109351 0.29692772124167 0.62879392746800 15.999 > 9 70 O 0.89995758109351 0.29692772124167 0.62879392746800 15.999 > 9 71 O 0.39995758109351 0.79692772124167 0.62879392746800 15.999 > 9 72 O 0.89995758109351 0.79692772124167 0.62879392746800 15.999 > 9 73 O 0.20307227875833 0.39995758109351 0.37879392746800 15.999 > 10 74 O 0.70307227875833 0.39995758109351 0.37879392746800 15.999 > 10 75 O 0.20307227875833 0.89995758109351 0.37879392746800 15.999 > 10 76 O 0.70307227875833 0.89995758109351 0.37879392746800 15.999 > 10 77 O 0.20307227875833 0.39995758109351 0.87879392746800 15.999 > 10 78 O 0.70307227875833 0.39995758109351 0.87879392746800 15.999 > 10 79 O 0.20307227875833 0.89995758109351 0.87879392746800 15.999 > 10 80 O 0.70307227875833 0.89995758109351 0.87879392746800 15.999 > 10 81 O 0.10004241890649 0.20307227875833 0.37120607253200 15.999 > 11 82 O 0.60004241890649 0.20307227875833 0.37120607253200 15.999 > 11 83 O 0.10004241890649 0.70307227875833 0.37120607253200 15.999 > 11 84 O 0.60004241890649 0.70307227875833 0.37120607253200 15.999 > 11 85 O 0.10004241890649 0.20307227875833 0.87120607253200 15.999 > 11 86 O 0.60004241890649 0.20307227875833 0.87120607253200 15.999 > 11 87 O 0.10004241890649 0.70307227875833 0.87120607253200 15.999 > 11 88 O 0.60004241890649 0.70307227875833 0.87120607253200 15.999 > 11 89 O 0.10004241890649 0.20307227875833 0.12879392746800 15.999 > 12 90 O 0.60004241890649 0.20307227875833 0.12879392746800 15.999 > 12 91 O 0.10004241890649 0.70307227875833 0.12879392746800 15.999 > 12 92 O 0.60004241890649 0.70307227875833 0.12879392746800 15.999 > 12 93 O 0.10004241890649 0.20307227875833 0.62879392746800 15.999 > 12 94 O 0.60004241890649 0.20307227875833 0.62879392746800 15.999 > 12 95 O 0.10004241890649 0.70307227875833 0.62879392746800 15.999 > 12 96 O 0.60004241890649 0.70307227875833 0.62879392746800 15.999 > 12 *97 O 0.00000000000000 0.00000000000000 0.37500000000000 15.999 > 13 98 O 0.50000000000000 0.00000000000000 0.37500000000000 15.999 > 13 99 O 0.00000000000000 0.50000000000000 0.37500000000000 15.999 > 13 100 O 0.50000000000000 0.50000000000000 0.37500000000000 15.999 > 13 101 O 0.00000000000000 0.00000000000000 0.87500000000000 15.999 > 13 102 O 0.50000000000000 0.00000000000000 0.87500000000000 15.999 > 13 103 O 0.00000000000000 0.50000000000000 0.87500000000000 15.999 > 13 104 O 0.50000000000000 0.50000000000000 0.87500000000000 15.999 > 13 105 O 0.29692772124167 0.10004241890649 0.37879392746800 15.999 > 14 106 O 0.79692772124167 0.10004241890649 0.37879392746800 15.999 > 14 107 O 0.29692772124167 0.60004241890649 0.37879392746800 15.999 > 14 108 O 0.79692772124167 0.60004241890649 0.37879392746800 15.999 > 14 109 O 0.29692772124167 0.10004241890649 0.87879392746800 15.999 > 14 110 O 0.79692772124167 0.10004241890649 0.87879392746800 15.999 > 14 111 O 0.29692772124167 0.60004241890649 0.87879392746800 15.999 > 14 112 O 0.79692772124167 0.60004241890649 0.87879392746800 15.999 > 14 113 O 0.29692772124167 0.10004241890649 0.12120607253200 15.999 > 15 114 O 0.79692772124167 0.10004241890649 0.12120607253200 15.999 > 15 115 O 0.29692772124167 0.60004241890649 0.12120607253200 15.999 > 15 116 O 0.79692772124167 0.60004241890649 0.12120607253200 15.999 > 15 117 O 0.29692772124167 0.10004241890649 0.62120607253200 15.999 > 15 118 O 0.79692772124167 0.10004241890649 0.62120607253200 15.999 > 15 119 O 0.29692772124167 0.60004241890649 0.62120607253200 15.999 > 15 120 O 0.79692772124167 0.60004241890649 0.62120607253200 15.999 > 15 121 O 0.39995758109351 0.29692772124167 0.37120607253200 15.999 > 16 122 O 0.89995758109351 0.29692772124167 0.37120607253200 15.999 > 16 123 O 0.39995758109351 0.79692772124167 0.37120607253200 15.999 > 16 124 O 0.89995758109351 0.79692772124167 0.37120607253200 15.999 > 16 125 O 0.39995758109351 0.29692772124167 0.87120607253200 15.999 > 16 126 O 0.89995758109351 0.29692772124167 0.87120607253200 15.999 > 16 127 O 0.39995758109351 0.79692772124167 0.87120607253200 15.999 > 16 128 O 0.89995758109351 0.79692772124167 0.87120607253200 15.999 > 16 129 O 0.00000000000000 0.00000000000000 0.12500000000000 15.999 > 17 130 O 0.50000000000000 0.00000000000000 0.12500000000000 15.999 > 17 131 O 0.00000000000000 0.50000000000000 0.12500000000000 15.999 > 17 132 O 0.50000000000000 0.50000000000000 0.12500000000000 15.999 > 17 133 O 0.00000000000000 0.00000000000000 0.62500000000000 15.999 > 17 134 O 0.50000000000000 0.00000000000000 0.62500000000000 15.999 > 17 135 O 0.00000000000000 0.50000000000000 0.62500000000000 15.999 > 17 136 O 0.50000000000000 0.50000000000000 0.62500000000000 15.999 > 17 137 O 0.20307227875833 0.39995758109351 0.12120607253200 15.999 > 18 138 O 0.70307227875833 0.39995758109351 0.12120607253200 15.999 > 18 139 O 0.20307227875833 0.89995758109351 0.12120607253200 15.999 > 18 140 O 0.70307227875833 0.89995758109351 0.12120607253200 15.999 > 18 141 O 0.20307227875833 0.39995758109351 0.62120607253200 15.999 > 18 142 O 0.70307227875833 0.39995758109351 0.62120607253200 15.999 > 18 143 O 0.20307227875833 0.89995758109351 0.62120607253200 15.999 > 18 144 O 0.70307227875833 0.89995758109351 0.62120607253200 15.999 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5978863 -0.0001934 0.0000000 0.0001934 6.5978863 0.0000000 0.0000000 0.0000000 9.4501002 -------------------------- Born effective charges -------------------------- 1 La 5.4533266 -0.6791827 0.0000000 -0.5872170 4.3700589 0.0000000 0.0000000 0.0000000 4.3617360 2 La 4.3700589 0.5872170 0.0000000 0.6791827 5.4533266 0.0000000 0.0000000 0.0000000 4.3617360 3 La 5.4533266 -0.6791827 0.0000000 -0.5872170 4.3700589 0.0000000 0.0000000 0.0000000 4.3617360 4 La 4.3700589 0.5872170 0.0000000 0.6791827 5.4533266 0.0000000 0.0000000 0.0000000 4.3617360 5 Pd -0.2282125 0.7961405 0.0000000 0.8765265 0.7103996 0.0000000 0.0000000 0.0000000 1.4169538 6 Pd 0.7103996 -0.8765265 0.0000000 -0.7961405 -0.2282125 0.0000000 0.0000000 0.0000000 1.4169538 7 Pd -0.2282125 0.7961405 0.0000000 0.8765265 0.7103996 0.0000000 0.0000000 0.0000000 1.4169538 8 Pd 0.7103996 -0.8765265 0.0000000 -0.7961405 -0.2282125 0.0000000 0.0000000 0.0000000 1.4169538 9 O -1.8330862 -0.1311920 -0.2886687 -0.1562671 -1.6726670 0.1467338 -0.1942811 -0.3507139 -2.1727873 10 O -1.6726670 0.1562671 -0.1467338 0.1311920 -1.8330862 -0.2886687 0.3507139 -0.1942811 -2.1727873 11 O -1.8330862 -0.1311920 -0.2886687 -0.1562671 -1.6726670 0.1467338 -0.1942811 -0.3507139 -2.1727873 12 O -1.8330862 -0.1311920 0.2886687 -0.1562671 -1.6726670 -0.1467338 0.1942811 0.3507139 -2.1727873 13 O -3.2940662 0.1222015 0.0000000 -0.1222015 -3.2940662 0.0000000 0.0000000 0.0000000 -2.8662303 14 O -1.6726670 0.1562671 0.1467338 0.1311920 -1.8330862 0.2886687 -0.3507139 0.1942811 -2.1727873 15 O -1.6726670 0.1562671 -0.1467338 0.1311920 -1.8330862 -0.2886687 0.3507139 -0.1942811 -2.1727873 16 O -1.8330862 -0.1311920 0.2886687 -0.1562671 -1.6726670 -0.1467338 0.1942811 0.3507139 -2.1727873 17 O -3.2940662 0.1222015 0.0000000 -0.1222015 -3.2940662 0.0000000 0.0000000 0.0000000 -2.8662303 18 O -1.6726670 0.1562671 0.1467338 0.1311920 -1.8330862 0.2886687 -0.3507139 0.1942811 -2.1727873 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1584 Number of blocks in projector: 1584 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 246 eigenvectors found. (2) Block: 500 / 576 (2) 246 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 358 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 218 Use standard eigh solver. Tree of FC basis block matrices: - (1584, 1563), data: False |-- (218, 214), data: True |-- (358, 352), data: True |-- (432, 425), data: True |-- (576, 572), data: False |-- (576, 572), data: False |-- (576, 8), data: (576, 12) @ (12, 8) |-- (76, 72), data: True |-- (250, 246), data: True |-- (250, 246), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 3.009 Solver_block: 200 / 320 - Time: 2.918 Solver_block: 300 / 320 - Time: 2.914 Solver_block: 320 / 320 - Time: 0.675 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.560 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1584 Number of blocks in projector: 1584 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 246 eigenvectors found. (2) Block: 500 / 576 (2) 246 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 358 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 218 Use standard eigh solver. Tree of FC basis block matrices: - (1584, 1563), data: False |-- (218, 214), data: True |-- (358, 352), data: True |-- (432, 425), data: True |-- (576, 572), data: False |-- (576, 572), data: False |-- (576, 8), data: (576, 12) @ (12, 8) |-- (76, 72), data: True |-- (250, 246), data: True |-- (250, 246), 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 15:44:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:44:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/m (84) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.649754840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.649754840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.576477240000000 Atomic positions (fractional): 1 La 0.10749253748444 0.73657842187087 0.50000000000000 138.905 2 La 0.73657842187087 0.89250746251556 0.00000000000000 138.905 3 La 0.89250746251556 0.26342157812913 0.50000000000000 138.905 4 La 0.26342157812913 0.10749253748444 0.00000000000000 138.905 5 Pd 0.31059471103447 0.59512264564537 0.00000000000000 106.420 6 Pd 0.40487735435463 0.31059471103447 0.50000000000000 106.420 7 Pd 0.68940528896553 0.40487735435463 0.00000000000000 106.420 8 Pd 0.59512264564537 0.68940528896553 0.50000000000000 106.420 9 O 0.79991516218702 0.59385544248335 0.25758785493601 15.999 10 O 0.40614455751665 0.79991516218702 0.75758785493601 15.999 11 O 0.20008483781298 0.40614455751665 0.74241214506399 15.999 12 O 0.20008483781298 0.40614455751665 0.25758785493601 15.999 13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 14 O 0.59385544248335 0.20008483781298 0.75758785493601 15.999 15 O 0.59385544248335 0.20008483781298 0.24241214506399 15.999 16 O 0.79991516218702 0.59385544248335 0.74241214506399 15.999 17 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 18 O 0.40614455751665 0.79991516218702 0.24241214506399 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.299509680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.299509680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.152954480000000 Atomic positions (fractional): 1 La 0.05374626874222 0.36828921093544 0.25000000000000 138.905 > 1 2 La 0.55374626874222 0.36828921093544 0.25000000000000 138.905 > 1 3 La 0.05374626874222 0.86828921093544 0.25000000000000 138.905 > 1 4 La 0.55374626874222 0.86828921093544 0.25000000000000 138.905 > 1 5 La 0.05374626874222 0.36828921093544 0.75000000000000 138.905 > 1 6 La 0.55374626874222 0.36828921093544 0.75000000000000 138.905 > 1 7 La 0.05374626874222 0.86828921093544 0.75000000000000 138.905 > 1 8 La 0.55374626874222 0.86828921093544 0.75000000000000 138.905 > 1 9 La 0.36828921093544 0.44625373125778 0.00000000000000 138.905 > 9 10 La 0.86828921093544 0.44625373125778 0.00000000000000 138.905 > 9 11 La 0.36828921093544 0.94625373125778 0.00000000000000 138.905 > 9 12 La 0.86828921093544 0.94625373125778 0.00000000000000 138.905 > 9 13 La 0.36828921093544 0.44625373125778 0.50000000000000 138.905 > 9 14 La 0.86828921093544 0.44625373125778 0.50000000000000 138.905 > 9 15 La 0.36828921093544 0.94625373125778 0.50000000000000 138.905 > 9 16 La 0.86828921093544 0.94625373125778 0.50000000000000 138.905 > 9 17 La 0.44625373125778 0.13171078906456 0.25000000000000 138.905 > 17 18 La 0.94625373125778 0.13171078906456 0.25000000000000 138.905 > 17 19 La 0.44625373125778 0.63171078906456 0.25000000000000 138.905 > 17 20 La 0.94625373125778 0.63171078906456 0.25000000000000 138.905 > 17 21 La 0.44625373125778 0.13171078906456 0.75000000000000 138.905 > 17 22 La 0.94625373125778 0.13171078906456 0.75000000000000 138.905 > 17 23 La 0.44625373125778 0.63171078906456 0.75000000000000 138.905 > 17 24 La 0.94625373125778 0.63171078906456 0.75000000000000 138.905 > 17 25 La 0.13171078906456 0.05374626874222 0.00000000000000 138.905 > 25 26 La 0.63171078906456 0.05374626874222 0.00000000000000 138.905 > 25 27 La 0.13171078906456 0.55374626874222 0.00000000000000 138.905 > 25 28 La 0.63171078906456 0.55374626874222 0.00000000000000 138.905 > 25 29 La 0.13171078906456 0.05374626874222 0.50000000000000 138.905 > 25 30 La 0.63171078906456 0.05374626874222 0.50000000000000 138.905 > 25 31 La 0.13171078906456 0.55374626874222 0.50000000000000 138.905 > 25 32 La 0.63171078906456 0.55374626874222 0.50000000000000 138.905 > 25 33 Pd 0.15529735551723 0.29756132282268 0.00000000000000 106.420 > 33 34 Pd 0.65529735551723 0.29756132282268 0.00000000000000 106.420 > 33 35 Pd 0.15529735551723 0.79756132282268 0.00000000000000 106.420 > 33 36 Pd 0.65529735551723 0.79756132282268 0.00000000000000 106.420 > 33 37 Pd 0.15529735551723 0.29756132282268 0.50000000000000 106.420 > 33 38 Pd 0.65529735551723 0.29756132282268 0.50000000000000 106.420 > 33 39 Pd 0.15529735551723 0.79756132282268 0.50000000000000 106.420 > 33 40 Pd 0.65529735551723 0.79756132282268 0.50000000000000 106.420 > 33 41 Pd 0.20243867717732 0.15529735551723 0.25000000000000 106.420 > 41 42 Pd 0.70243867717732 0.15529735551723 0.25000000000000 106.420 > 41 43 Pd 0.20243867717732 0.65529735551723 0.25000000000000 106.420 > 41 44 Pd 0.70243867717732 0.65529735551723 0.25000000000000 106.420 > 41 45 Pd 0.20243867717732 0.15529735551723 0.75000000000000 106.420 > 41 46 Pd 0.70243867717732 0.15529735551723 0.75000000000000 106.420 > 41 47 Pd 0.20243867717732 0.65529735551723 0.75000000000000 106.420 > 41 48 Pd 0.70243867717732 0.65529735551723 0.75000000000000 106.420 > 41 49 Pd 0.34470264448277 0.20243867717732 0.00000000000000 106.420 > 49 50 Pd 0.84470264448277 0.20243867717732 0.00000000000000 106.420 > 49 51 Pd 0.34470264448277 0.70243867717732 0.00000000000000 106.420 > 49 52 Pd 0.84470264448277 0.70243867717732 0.00000000000000 106.420 > 49 53 Pd 0.34470264448277 0.20243867717732 0.50000000000000 106.420 > 49 54 Pd 0.84470264448277 0.20243867717732 0.50000000000000 106.420 > 49 55 Pd 0.34470264448277 0.70243867717732 0.50000000000000 106.420 > 49 56 Pd 0.84470264448277 0.70243867717732 0.50000000000000 106.420 > 49 57 Pd 0.29756132282268 0.34470264448277 0.25000000000000 106.420 > 57 58 Pd 0.79756132282268 0.34470264448277 0.25000000000000 106.420 > 57 59 Pd 0.29756132282268 0.84470264448277 0.25000000000000 106.420 > 57 60 Pd 0.79756132282268 0.84470264448277 0.25000000000000 106.420 > 57 61 Pd 0.29756132282268 0.34470264448277 0.75000000000000 106.420 > 57 62 Pd 0.79756132282268 0.34470264448277 0.75000000000000 106.420 > 57 63 Pd 0.29756132282268 0.84470264448277 0.75000000000000 106.420 > 57 64 Pd 0.79756132282268 0.84470264448277 0.75000000000000 106.420 > 57 65 O 0.39995758109351 0.29692772124167 0.12879392746800 15.999 > 65 66 O 0.89995758109351 0.29692772124167 0.12879392746800 15.999 > 65 67 O 0.39995758109351 0.79692772124167 0.12879392746800 15.999 > 65 68 O 0.89995758109351 0.79692772124167 0.12879392746800 15.999 > 65 69 O 0.39995758109351 0.29692772124167 0.62879392746800 15.999 > 65 70 O 0.89995758109351 0.29692772124167 0.62879392746800 15.999 > 65 71 O 0.39995758109351 0.79692772124167 0.62879392746800 15.999 > 65 72 O 0.89995758109351 0.79692772124167 0.62879392746800 15.999 > 65 73 O 0.20307227875833 0.39995758109351 0.37879392746800 15.999 > 73 74 O 0.70307227875833 0.39995758109351 0.37879392746800 15.999 > 73 75 O 0.20307227875833 0.89995758109351 0.37879392746800 15.999 > 73 76 O 0.70307227875833 0.89995758109351 0.37879392746800 15.999 > 73 77 O 0.20307227875833 0.39995758109351 0.87879392746800 15.999 > 73 78 O 0.70307227875833 0.39995758109351 0.87879392746800 15.999 > 73 79 O 0.20307227875833 0.89995758109351 0.87879392746800 15.999 > 73 80 O 0.70307227875833 0.89995758109351 0.87879392746800 15.999 > 73 81 O 0.10004241890649 0.20307227875833 0.37120607253200 15.999 > 81 82 O 0.60004241890649 0.20307227875833 0.37120607253200 15.999 > 81 83 O 0.10004241890649 0.70307227875833 0.37120607253200 15.999 > 81 84 O 0.60004241890649 0.70307227875833 0.37120607253200 15.999 > 81 85 O 0.10004241890649 0.20307227875833 0.87120607253200 15.999 > 81 86 O 0.60004241890649 0.20307227875833 0.87120607253200 15.999 > 81 87 O 0.10004241890649 0.70307227875833 0.87120607253200 15.999 > 81 88 O 0.60004241890649 0.70307227875833 0.87120607253200 15.999 > 81 89 O 0.10004241890649 0.20307227875833 0.12879392746800 15.999 > 89 90 O 0.60004241890649 0.20307227875833 0.12879392746800 15.999 > 89 91 O 0.10004241890649 0.70307227875833 0.12879392746800 15.999 > 89 92 O 0.60004241890649 0.70307227875833 0.12879392746800 15.999 > 89 93 O 0.10004241890649 0.20307227875833 0.62879392746800 15.999 > 89 94 O 0.60004241890649 0.20307227875833 0.62879392746800 15.999 > 89 95 O 0.10004241890649 0.70307227875833 0.62879392746800 15.999 > 89 96 O 0.60004241890649 0.70307227875833 0.62879392746800 15.999 > 89 97 O 0.00000000000000 0.00000000000000 0.37500000000000 15.999 > 97 98 O 0.50000000000000 0.00000000000000 0.37500000000000 15.999 > 97 99 O 0.00000000000000 0.50000000000000 0.37500000000000 15.999 > 97 100 O 0.50000000000000 0.50000000000000 0.37500000000000 15.999 > 97 101 O 0.00000000000000 0.00000000000000 0.87500000000000 15.999 > 97 102 O 0.50000000000000 0.00000000000000 0.87500000000000 15.999 > 97 103 O 0.00000000000000 0.50000000000000 0.87500000000000 15.999 > 97 104 O 0.50000000000000 0.50000000000000 0.87500000000000 15.999 > 97 105 O 0.29692772124167 0.10004241890649 0.37879392746800 15.999 > 105 106 O 0.79692772124167 0.10004241890649 0.37879392746800 15.999 > 105 107 O 0.29692772124167 0.60004241890649 0.37879392746800 15.999 > 105 108 O 0.79692772124167 0.60004241890649 0.37879392746800 15.999 > 105 109 O 0.29692772124167 0.10004241890649 0.87879392746800 15.999 > 105 110 O 0.79692772124167 0.10004241890649 0.87879392746800 15.999 > 105 111 O 0.29692772124167 0.60004241890649 0.87879392746800 15.999 > 105 112 O 0.79692772124167 0.60004241890649 0.87879392746800 15.999 > 105 113 O 0.29692772124167 0.10004241890649 0.12120607253200 15.999 > 113 114 O 0.79692772124167 0.10004241890649 0.12120607253200 15.999 > 113 115 O 0.29692772124167 0.60004241890649 0.12120607253200 15.999 > 113 116 O 0.79692772124167 0.60004241890649 0.12120607253200 15.999 > 113 117 O 0.29692772124167 0.10004241890649 0.62120607253200 15.999 > 113 118 O 0.79692772124167 0.10004241890649 0.62120607253200 15.999 > 113 119 O 0.29692772124167 0.60004241890649 0.62120607253200 15.999 > 113 120 O 0.79692772124167 0.60004241890649 0.62120607253200 15.999 > 113 121 O 0.39995758109351 0.29692772124167 0.37120607253200 15.999 > 121 122 O 0.89995758109351 0.29692772124167 0.37120607253200 15.999 > 121 123 O 0.39995758109351 0.79692772124167 0.37120607253200 15.999 > 121 124 O 0.89995758109351 0.79692772124167 0.37120607253200 15.999 > 121 125 O 0.39995758109351 0.29692772124167 0.87120607253200 15.999 > 121 126 O 0.89995758109351 0.29692772124167 0.87120607253200 15.999 > 121 127 O 0.39995758109351 0.79692772124167 0.87120607253200 15.999 > 121 128 O 0.89995758109351 0.79692772124167 0.87120607253200 15.999 > 121 129 O 0.00000000000000 0.00000000000000 0.12500000000000 15.999 > 129 130 O 0.50000000000000 0.00000000000000 0.12500000000000 15.999 > 129 131 O 0.00000000000000 0.50000000000000 0.12500000000000 15.999 > 129 132 O 0.50000000000000 0.50000000000000 0.12500000000000 15.999 > 129 133 O 0.00000000000000 0.00000000000000 0.62500000000000 15.999 > 129 134 O 0.50000000000000 0.00000000000000 0.62500000000000 15.999 > 129 135 O 0.00000000000000 0.50000000000000 0.62500000000000 15.999 > 129 136 O 0.50000000000000 0.50000000000000 0.62500000000000 15.999 > 129 137 O 0.20307227875833 0.39995758109351 0.12120607253200 15.999 > 137 138 O 0.70307227875833 0.39995758109351 0.12120607253200 15.999 > 137 139 O 0.20307227875833 0.89995758109351 0.12120607253200 15.999 > 137 140 O 0.70307227875833 0.89995758109351 0.12120607253200 15.999 > 137 141 O 0.20307227875833 0.39995758109351 0.62120607253200 15.999 > 137 142 O 0.70307227875833 0.39995758109351 0.62120607253200 15.999 > 137 143 O 0.20307227875833 0.89995758109351 0.62120607253200 15.999 > 137 144 O 0.70307227875833 0.89995758109351 0.62120607253200 15.999 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5978863 -0.0001934 0.0000000 0.0001934 6.5978863 0.0000000 0.0000000 0.0000000 9.4501002 -------------------------- Born effective charges -------------------------- 1 La 5.4533266 -0.6791827 0.0000000 -0.5872170 4.3700589 0.0000000 0.0000000 0.0000000 4.3617360 2 La 4.3700589 0.5872170 0.0000000 0.6791827 5.4533266 0.0000000 0.0000000 0.0000000 4.3617360 3 La 5.4533266 -0.6791827 0.0000000 -0.5872170 4.3700589 0.0000000 0.0000000 0.0000000 4.3617360 4 La 4.3700589 0.5872170 0.0000000 0.6791827 5.4533266 0.0000000 0.0000000 0.0000000 4.3617360 5 Pd -0.2282125 0.7961405 0.0000000 0.8765265 0.7103996 0.0000000 0.0000000 0.0000000 1.4169538 6 Pd 0.7103996 -0.8765265 0.0000000 -0.7961405 -0.2282125 0.0000000 0.0000000 0.0000000 1.4169538 7 Pd -0.2282125 0.7961405 0.0000000 0.8765265 0.7103996 0.0000000 0.0000000 0.0000000 1.4169538 8 Pd 0.7103996 -0.8765265 0.0000000 -0.7961405 -0.2282125 0.0000000 0.0000000 0.0000000 1.4169538 9 O -1.8330862 -0.1311920 -0.2886687 -0.1562671 -1.6726670 0.1467338 -0.1942811 -0.3507139 -2.1727873 10 O -1.6726670 0.1562671 -0.1467338 0.1311920 -1.8330862 -0.2886687 0.3507139 -0.1942811 -2.1727873 11 O -1.8330862 -0.1311920 -0.2886687 -0.1562671 -1.6726670 0.1467338 -0.1942811 -0.3507139 -2.1727873 12 O -1.8330862 -0.1311920 0.2886687 -0.1562671 -1.6726670 -0.1467338 0.1942811 0.3507139 -2.1727873 13 O -3.2940662 0.1222015 0.0000000 -0.1222015 -3.2940662 0.0000000 0.0000000 0.0000000 -2.8662303 14 O -1.6726670 0.1562671 0.1467338 0.1311920 -1.8330862 0.2886687 -0.3507139 0.1942811 -2.1727873 15 O -1.6726670 0.1562671 -0.1467338 0.1311920 -1.8330862 -0.2886687 0.3507139 -0.1942811 -2.1727873 16 O -1.8330862 -0.1311920 0.2886687 -0.1562671 -1.6726670 -0.1467338 0.1942811 0.3507139 -2.1727873 17 O -3.2940662 0.1222015 0.0000000 -0.1222015 -3.2940662 0.0000000 0.0000000 0.0000000 -2.8662303 18 O -1.6726670 0.1562671 0.1467338 0.1311920 -1.8330862 0.2886687 -0.3507139 0.1942811 -2.1727873 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000006 (xy) 0.00000006 (xy) 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 15:45:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:45:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/m (84) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.649754840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.649754840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.576477240000000 Atomic positions (fractional): 1 La 0.10749253748444 0.73657842187087 0.50000000000000 138.905 2 La 0.73657842187087 0.89250746251556 0.00000000000000 138.905 3 La 0.89250746251556 0.26342157812913 0.50000000000000 138.905 4 La 0.26342157812913 0.10749253748444 0.00000000000000 138.905 5 Pd 0.31059471103447 0.59512264564537 0.00000000000000 106.420 6 Pd 0.40487735435463 0.31059471103447 0.50000000000000 106.420 7 Pd 0.68940528896553 0.40487735435463 0.00000000000000 106.420 8 Pd 0.59512264564537 0.68940528896553 0.50000000000000 106.420 9 O 0.79991516218702 0.59385544248335 0.25758785493601 15.999 10 O 0.40614455751665 0.79991516218702 0.75758785493601 15.999 11 O 0.20008483781298 0.40614455751665 0.74241214506399 15.999 12 O 0.20008483781298 0.40614455751665 0.25758785493601 15.999 13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 14 O 0.59385544248335 0.20008483781298 0.75758785493601 15.999 15 O 0.59385544248335 0.20008483781298 0.24241214506399 15.999 16 O 0.79991516218702 0.59385544248335 0.74241214506399 15.999 17 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 18 O 0.40614455751665 0.79991516218702 0.24241214506399 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.299509680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.299509680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.152954480000000 Atomic positions (fractional): 1 La 0.05374626874222 0.36828921093544 0.25000000000000 138.905 > 1 2 La 0.55374626874222 0.36828921093544 0.25000000000000 138.905 > 1 3 La 0.05374626874222 0.86828921093544 0.25000000000000 138.905 > 1 4 La 0.55374626874222 0.86828921093544 0.25000000000000 138.905 > 1 5 La 0.05374626874222 0.36828921093544 0.75000000000000 138.905 > 1 6 La 0.55374626874222 0.36828921093544 0.75000000000000 138.905 > 1 7 La 0.05374626874222 0.86828921093544 0.75000000000000 138.905 > 1 8 La 0.55374626874222 0.86828921093544 0.75000000000000 138.905 > 1 9 La 0.36828921093544 0.44625373125778 0.00000000000000 138.905 > 9 10 La 0.86828921093544 0.44625373125778 0.00000000000000 138.905 > 9 11 La 0.36828921093544 0.94625373125778 0.00000000000000 138.905 > 9 12 La 0.86828921093544 0.94625373125778 0.00000000000000 138.905 > 9 13 La 0.36828921093544 0.44625373125778 0.50000000000000 138.905 > 9 14 La 0.86828921093544 0.44625373125778 0.50000000000000 138.905 > 9 15 La 0.36828921093544 0.94625373125778 0.50000000000000 138.905 > 9 16 La 0.86828921093544 0.94625373125778 0.50000000000000 138.905 > 9 17 La 0.44625373125778 0.13171078906456 0.25000000000000 138.905 > 17 18 La 0.94625373125778 0.13171078906456 0.25000000000000 138.905 > 17 19 La 0.44625373125778 0.63171078906456 0.25000000000000 138.905 > 17 20 La 0.94625373125778 0.63171078906456 0.25000000000000 138.905 > 17 21 La 0.44625373125778 0.13171078906456 0.75000000000000 138.905 > 17 22 La 0.94625373125778 0.13171078906456 0.75000000000000 138.905 > 17 23 La 0.44625373125778 0.63171078906456 0.75000000000000 138.905 > 17 24 La 0.94625373125778 0.63171078906456 0.75000000000000 138.905 > 17 25 La 0.13171078906456 0.05374626874222 0.00000000000000 138.905 > 25 26 La 0.63171078906456 0.05374626874222 0.00000000000000 138.905 > 25 27 La 0.13171078906456 0.55374626874222 0.00000000000000 138.905 > 25 28 La 0.63171078906456 0.55374626874222 0.00000000000000 138.905 > 25 29 La 0.13171078906456 0.05374626874222 0.50000000000000 138.905 > 25 30 La 0.63171078906456 0.05374626874222 0.50000000000000 138.905 > 25 31 La 0.13171078906456 0.55374626874222 0.50000000000000 138.905 > 25 32 La 0.63171078906456 0.55374626874222 0.50000000000000 138.905 > 25 33 Pd 0.15529735551723 0.29756132282268 0.00000000000000 106.420 > 33 34 Pd 0.65529735551723 0.29756132282268 0.00000000000000 106.420 > 33 35 Pd 0.15529735551723 0.79756132282268 0.00000000000000 106.420 > 33 36 Pd 0.65529735551723 0.79756132282268 0.00000000000000 106.420 > 33 37 Pd 0.15529735551723 0.29756132282268 0.50000000000000 106.420 > 33 38 Pd 0.65529735551723 0.29756132282268 0.50000000000000 106.420 > 33 39 Pd 0.15529735551723 0.79756132282268 0.50000000000000 106.420 > 33 40 Pd 0.65529735551723 0.79756132282268 0.50000000000000 106.420 > 33 41 Pd 0.20243867717732 0.15529735551723 0.25000000000000 106.420 > 41 42 Pd 0.70243867717732 0.15529735551723 0.25000000000000 106.420 > 41 43 Pd 0.20243867717732 0.65529735551723 0.25000000000000 106.420 > 41 44 Pd 0.70243867717732 0.65529735551723 0.25000000000000 106.420 > 41 45 Pd 0.20243867717732 0.15529735551723 0.75000000000000 106.420 > 41 46 Pd 0.70243867717732 0.15529735551723 0.75000000000000 106.420 > 41 47 Pd 0.20243867717732 0.65529735551723 0.75000000000000 106.420 > 41 48 Pd 0.70243867717732 0.65529735551723 0.75000000000000 106.420 > 41 49 Pd 0.34470264448277 0.20243867717732 0.00000000000000 106.420 > 49 50 Pd 0.84470264448277 0.20243867717732 0.00000000000000 106.420 > 49 51 Pd 0.34470264448277 0.70243867717732 0.00000000000000 106.420 > 49 52 Pd 0.84470264448277 0.70243867717732 0.00000000000000 106.420 > 49 53 Pd 0.34470264448277 0.20243867717732 0.50000000000000 106.420 > 49 54 Pd 0.84470264448277 0.20243867717732 0.50000000000000 106.420 > 49 55 Pd 0.34470264448277 0.70243867717732 0.50000000000000 106.420 > 49 56 Pd 0.84470264448277 0.70243867717732 0.50000000000000 106.420 > 49 57 Pd 0.29756132282268 0.34470264448277 0.25000000000000 106.420 > 57 58 Pd 0.79756132282268 0.34470264448277 0.25000000000000 106.420 > 57 59 Pd 0.29756132282268 0.84470264448277 0.25000000000000 106.420 > 57 60 Pd 0.79756132282268 0.84470264448277 0.25000000000000 106.420 > 57 61 Pd 0.29756132282268 0.34470264448277 0.75000000000000 106.420 > 57 62 Pd 0.79756132282268 0.34470264448277 0.75000000000000 106.420 > 57 63 Pd 0.29756132282268 0.84470264448277 0.75000000000000 106.420 > 57 64 Pd 0.79756132282268 0.84470264448277 0.75000000000000 106.420 > 57 65 O 0.39995758109351 0.29692772124167 0.12879392746800 15.999 > 65 66 O 0.89995758109351 0.29692772124167 0.12879392746800 15.999 > 65 67 O 0.39995758109351 0.79692772124167 0.12879392746800 15.999 > 65 68 O 0.89995758109351 0.79692772124167 0.12879392746800 15.999 > 65 69 O 0.39995758109351 0.29692772124167 0.62879392746800 15.999 > 65 70 O 0.89995758109351 0.29692772124167 0.62879392746800 15.999 > 65 71 O 0.39995758109351 0.79692772124167 0.62879392746800 15.999 > 65 72 O 0.89995758109351 0.79692772124167 0.62879392746800 15.999 > 65 73 O 0.20307227875833 0.39995758109351 0.37879392746800 15.999 > 73 74 O 0.70307227875833 0.39995758109351 0.37879392746800 15.999 > 73 75 O 0.20307227875833 0.89995758109351 0.37879392746800 15.999 > 73 76 O 0.70307227875833 0.89995758109351 0.37879392746800 15.999 > 73 77 O 0.20307227875833 0.39995758109351 0.87879392746800 15.999 > 73 78 O 0.70307227875833 0.39995758109351 0.87879392746800 15.999 > 73 79 O 0.20307227875833 0.89995758109351 0.87879392746800 15.999 > 73 80 O 0.70307227875833 0.89995758109351 0.87879392746800 15.999 > 73 81 O 0.10004241890649 0.20307227875833 0.37120607253200 15.999 > 81 82 O 0.60004241890649 0.20307227875833 0.37120607253200 15.999 > 81 83 O 0.10004241890649 0.70307227875833 0.37120607253200 15.999 > 81 84 O 0.60004241890649 0.70307227875833 0.37120607253200 15.999 > 81 85 O 0.10004241890649 0.20307227875833 0.87120607253200 15.999 > 81 86 O 0.60004241890649 0.20307227875833 0.87120607253200 15.999 > 81 87 O 0.10004241890649 0.70307227875833 0.87120607253200 15.999 > 81 88 O 0.60004241890649 0.70307227875833 0.87120607253200 15.999 > 81 89 O 0.10004241890649 0.20307227875833 0.12879392746800 15.999 > 89 90 O 0.60004241890649 0.20307227875833 0.12879392746800 15.999 > 89 91 O 0.10004241890649 0.70307227875833 0.12879392746800 15.999 > 89 92 O 0.60004241890649 0.70307227875833 0.12879392746800 15.999 > 89 93 O 0.10004241890649 0.20307227875833 0.62879392746800 15.999 > 89 94 O 0.60004241890649 0.20307227875833 0.62879392746800 15.999 > 89 95 O 0.10004241890649 0.70307227875833 0.62879392746800 15.999 > 89 96 O 0.60004241890649 0.70307227875833 0.62879392746800 15.999 > 89 97 O 0.00000000000000 0.00000000000000 0.37500000000000 15.999 > 97 98 O 0.50000000000000 0.00000000000000 0.37500000000000 15.999 > 97 99 O 0.00000000000000 0.50000000000000 0.37500000000000 15.999 > 97 100 O 0.50000000000000 0.50000000000000 0.37500000000000 15.999 > 97 101 O 0.00000000000000 0.00000000000000 0.87500000000000 15.999 > 97 102 O 0.50000000000000 0.00000000000000 0.87500000000000 15.999 > 97 103 O 0.00000000000000 0.50000000000000 0.87500000000000 15.999 > 97 104 O 0.50000000000000 0.50000000000000 0.87500000000000 15.999 > 97 105 O 0.29692772124167 0.10004241890649 0.37879392746800 15.999 > 105 106 O 0.79692772124167 0.10004241890649 0.37879392746800 15.999 > 105 107 O 0.29692772124167 0.60004241890649 0.37879392746800 15.999 > 105 108 O 0.79692772124167 0.60004241890649 0.37879392746800 15.999 > 105 109 O 0.29692772124167 0.10004241890649 0.87879392746800 15.999 > 105 110 O 0.79692772124167 0.10004241890649 0.87879392746800 15.999 > 105 111 O 0.29692772124167 0.60004241890649 0.87879392746800 15.999 > 105 112 O 0.79692772124167 0.60004241890649 0.87879392746800 15.999 > 105 113 O 0.29692772124167 0.10004241890649 0.12120607253200 15.999 > 113 114 O 0.79692772124167 0.10004241890649 0.12120607253200 15.999 > 113 115 O 0.29692772124167 0.60004241890649 0.12120607253200 15.999 > 113 116 O 0.79692772124167 0.60004241890649 0.12120607253200 15.999 > 113 117 O 0.29692772124167 0.10004241890649 0.62120607253200 15.999 > 113 118 O 0.79692772124167 0.10004241890649 0.62120607253200 15.999 > 113 119 O 0.29692772124167 0.60004241890649 0.62120607253200 15.999 > 113 120 O 0.79692772124167 0.60004241890649 0.62120607253200 15.999 > 113 121 O 0.39995758109351 0.29692772124167 0.37120607253200 15.999 > 121 122 O 0.89995758109351 0.29692772124167 0.37120607253200 15.999 > 121 123 O 0.39995758109351 0.79692772124167 0.37120607253200 15.999 > 121 124 O 0.89995758109351 0.79692772124167 0.37120607253200 15.999 > 121 125 O 0.39995758109351 0.29692772124167 0.87120607253200 15.999 > 121 126 O 0.89995758109351 0.29692772124167 0.87120607253200 15.999 > 121 127 O 0.39995758109351 0.79692772124167 0.87120607253200 15.999 > 121 128 O 0.89995758109351 0.79692772124167 0.87120607253200 15.999 > 121 129 O 0.00000000000000 0.00000000000000 0.12500000000000 15.999 > 129 130 O 0.50000000000000 0.00000000000000 0.12500000000000 15.999 > 129 131 O 0.00000000000000 0.50000000000000 0.12500000000000 15.999 > 129 132 O 0.50000000000000 0.50000000000000 0.12500000000000 15.999 > 129 133 O 0.00000000000000 0.00000000000000 0.62500000000000 15.999 > 129 134 O 0.50000000000000 0.00000000000000 0.62500000000000 15.999 > 129 135 O 0.00000000000000 0.50000000000000 0.62500000000000 15.999 > 129 136 O 0.50000000000000 0.50000000000000 0.62500000000000 15.999 > 129 137 O 0.20307227875833 0.39995758109351 0.12120607253200 15.999 > 137 138 O 0.70307227875833 0.39995758109351 0.12120607253200 15.999 > 137 139 O 0.20307227875833 0.89995758109351 0.12120607253200 15.999 > 137 140 O 0.70307227875833 0.89995758109351 0.12120607253200 15.999 > 137 141 O 0.20307227875833 0.39995758109351 0.62120607253200 15.999 > 137 142 O 0.70307227875833 0.39995758109351 0.62120607253200 15.999 > 137 143 O 0.20307227875833 0.89995758109351 0.62120607253200 15.999 > 137 144 O 0.70307227875833 0.89995758109351 0.62120607253200 15.999 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5978863 -0.0001934 0.0000000 0.0001934 6.5978863 0.0000000 0.0000000 0.0000000 9.4501002 -------------------------- Born effective charges -------------------------- 1 La 5.4533266 -0.6791827 0.0000000 -0.5872170 4.3700589 0.0000000 0.0000000 0.0000000 4.3617360 2 La 4.3700589 0.5872170 0.0000000 0.6791827 5.4533266 0.0000000 0.0000000 0.0000000 4.3617360 3 La 5.4533266 -0.6791827 0.0000000 -0.5872170 4.3700589 0.0000000 0.0000000 0.0000000 4.3617360 4 La 4.3700589 0.5872170 0.0000000 0.6791827 5.4533266 0.0000000 0.0000000 0.0000000 4.3617360 5 Pd -0.2282125 0.7961405 0.0000000 0.8765265 0.7103996 0.0000000 0.0000000 0.0000000 1.4169538 6 Pd 0.7103996 -0.8765265 0.0000000 -0.7961405 -0.2282125 0.0000000 0.0000000 0.0000000 1.4169538 7 Pd -0.2282125 0.7961405 0.0000000 0.8765265 0.7103996 0.0000000 0.0000000 0.0000000 1.4169538 8 Pd 0.7103996 -0.8765265 0.0000000 -0.7961405 -0.2282125 0.0000000 0.0000000 0.0000000 1.4169538 9 O -1.8330862 -0.1311920 -0.2886687 -0.1562671 -1.6726670 0.1467338 -0.1942811 -0.3507139 -2.1727873 10 O -1.6726670 0.1562671 -0.1467338 0.1311920 -1.8330862 -0.2886687 0.3507139 -0.1942811 -2.1727873 11 O -1.8330862 -0.1311920 -0.2886687 -0.1562671 -1.6726670 0.1467338 -0.1942811 -0.3507139 -2.1727873 12 O -1.8330862 -0.1311920 0.2886687 -0.1562671 -1.6726670 -0.1467338 0.1942811 0.3507139 -2.1727873 13 O -3.2940662 0.1222015 0.0000000 -0.1222015 -3.2940662 0.0000000 0.0000000 0.0000000 -2.8662303 14 O -1.6726670 0.1562671 0.1467338 0.1311920 -1.8330862 0.2886687 -0.3507139 0.1942811 -2.1727873 15 O -1.6726670 0.1562671 -0.1467338 0.1311920 -1.8330862 -0.2886687 0.3507139 -0.1942811 -2.1727873 16 O -1.8330862 -0.1311920 0.2886687 -0.1562671 -1.6726670 -0.1467338 0.1942811 0.3507139 -2.1727873 17 O -3.2940662 0.1222015 0.0000000 -0.1222015 -3.2940662 0.0000000 0.0000000 0.0000000 -2.8662303 18 O -1.6726670 0.1562671 0.1467338 0.1311920 -1.8330862 0.2886687 -0.3507139 0.1942811 -2.1727873 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) 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 ... [ 8 8 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 307, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 90 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 2.953 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.511 ( 0.000 0.000 0.000) 0.000 5.511 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 10.294 ( 0.000 0.000 0.000) 0.000 10.294 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 11.227 ( 0.000 0.000 0.000) 0.000 11.693 ( 0.000 0.000 0.000) 0.000 12.233 ( 0.000 0.000 0.000) 0.000 12.233 ( 0.000 0.000 0.000) 0.000 12.310 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 12.963 ( 0.000 0.000 0.000) 0.000 12.963 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 0.000 0.000) 0.000 14.448 ( 0.000 0.000 0.000) 0.000 14.700 ( 0.000 0.000 0.000) 0.000 15.352 ( 0.000 0.000 0.000) 0.000 15.711 ( 0.000 0.000 0.000) 0.000 15.711 ( 0.000 0.000 0.000) 0.000 15.929 ( 0.000 0.000 0.000) 0.000 16.050 ( 0.000 0.000 0.000) 0.000 16.211 ( 0.000 0.000 0.000) 0.000 16.598 ( 0.000 0.000 0.000) 0.000 16.598 ( 0.000 0.000 0.000) 0.000 16.683 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 25.685 -0.204 0.000) 25.685 0.513 ( 26.971 17.897 0.000) 32.369 0.991 ( 51.681 -9.345 0.000) 52.519 2.859 ( -9.479 -2.119 0.000) 9.713 3.007 ( -16.446 1.507 0.000) 16.515 3.240 ( -4.025 1.323 0.000) 4.236 3.280 ( 4.344 -2.530 0.000) 5.027 3.481 ( 2.860 -0.461 0.000) 2.897 3.585 ( 11.809 1.084 0.000) 11.859 3.683 ( 8.661 -0.786 0.000) 8.697 4.022 ( 1.469 0.631 0.000) 1.599 4.342 ( -3.891 -0.262 0.000) 3.900 4.551 ( -7.325 1.164 0.000) 7.417 4.754 ( 0.777 1.201 0.000) 1.430 4.759 ( -8.999 0.612 0.000) 9.019 4.867 ( 0.559 -0.672 0.000) 0.874 4.907 ( 0.265 -0.803 0.000) 0.846 5.127 ( -2.975 1.955 0.000) 3.560 5.253 ( 6.475 0.063 0.000) 6.476 5.510 ( -0.427 -0.360 0.000) 0.559 5.551 ( -0.485 -0.245 0.000) 0.543 5.678 ( -0.013 0.391 0.000) 0.391 6.534 ( 0.249 -0.087 0.000) 0.264 7.019 ( -2.091 0.005 0.000) 2.091 8.834 ( -10.738 0.338 0.000) 10.743 9.303 ( -3.676 -1.156 0.000) 3.853 9.658 ( 1.581 -0.391 0.000) 1.628 9.686 ( 3.202 1.790 0.000) 3.668 9.847 ( -0.063 0.486 0.000) 0.490 9.899 ( 5.103 -1.100 0.000) 5.220 10.295 ( 0.134 2.859 0.000) 2.862 10.478 ( -0.399 0.068 0.000) 0.405 11.227 ( 0.108 0.211 0.000) 0.237 11.247 ( 1.161 1.620 0.000) 1.993 11.637 ( -5.209 -0.414 0.000) 5.225 12.129 ( -5.972 -0.928 0.000) 6.043 12.216 ( -1.670 1.017 0.000) 1.955 12.434 ( 8.041 -0.087 0.000) 8.041 12.720 ( 1.654 -0.041 0.000) 1.654 12.946 ( -2.171 -13.256 0.000) 13.433 13.883 ( 0.127 9.714 0.000) 9.715 14.091 ( -6.457 4.462 0.000) 7.849 14.522 ( 5.660 -4.749 0.000) 7.388 14.734 ( 3.505 0.636 0.000) 3.562 15.321 ( -2.878 0.024 0.000) 2.878 15.396 ( 4.838 -3.983 0.000) 6.266 15.710 ( -0.163 -0.164 0.000) 0.231 15.754 ( 4.117 0.134 0.000) 4.119 15.919 ( -1.055 1.604 0.000) 1.920 16.046 ( -0.330 -0.152 0.000) 0.363 16.202 ( -0.913 0.006 0.000) 0.913 16.566 ( -2.885 2.977 0.000) 4.146 16.690 ( 0.063 1.054 0.000) 1.056 16.929 ( -0.642 -3.004 0.000) 3.071 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 25.350 -0.747 0.000) 25.361 1.009 ( 25.657 16.968 0.000) 30.760 1.920 ( 46.288 -8.961 0.000) 47.148 2.623 ( -14.907 -7.572 0.000) 16.719 2.673 ( -18.950 2.193 0.000) 19.077 3.197 ( -0.455 4.890 0.000) 4.911 3.393 ( 7.315 -4.270 0.000) 8.470 3.512 ( 0.450 -1.506 0.000) 1.572 3.784 ( 9.089 2.536 0.000) 9.436 3.867 ( 9.538 -1.176 0.000) 9.610 4.044 ( -0.319 4.715 0.000) 4.726 4.233 ( -6.003 -3.077 0.000) 6.746 4.417 ( -6.971 0.665 0.000) 7.003 4.568 ( -10.778 0.884 0.000) 10.814 4.730 ( -3.404 1.977 0.000) 3.937 4.880 ( 0.781 -1.007 0.000) 1.275 4.920 ( 1.127 -0.129 0.000) 1.134 5.060 ( -3.617 2.515 0.000) 4.406 5.375 ( 6.002 0.110 0.000) 6.003 5.480 ( -2.793 1.469 0.000) 3.156 5.550 ( 0.394 -1.157 0.000) 1.222 5.665 ( -1.365 -0.163 0.000) 1.375 6.547 ( 1.080 -0.341 0.000) 1.133 6.968 ( -3.042 0.024 0.000) 3.042 8.613 ( -11.497 0.751 0.000) 11.521 9.217 ( -5.040 -2.471 0.000) 5.613 9.690 ( 1.574 -0.322 0.000) 1.606 9.745 ( 3.308 3.703 0.000) 4.965 9.848 ( 0.115 -0.236 0.000) 0.262 9.998 ( 4.134 -1.625 0.000) 4.442 10.299 ( 0.261 4.334 0.000) 4.342 10.475 ( 0.241 0.380 0.000) 0.450 11.230 ( 0.168 0.430 0.000) 0.462 11.256 ( -1.014 2.310 0.000) 2.523 11.541 ( -3.659 -1.166 0.000) 3.841 12.043 ( -2.999 -2.099 0.000) 3.661 12.173 ( -2.805 1.983 0.000) 3.435 12.573 ( 6.359 0.159 0.000) 6.361 12.759 ( 2.342 -0.238 0.000) 2.354 12.873 ( -5.419 -17.518 0.000) 18.337 13.891 ( 0.665 16.724 0.000) 16.738 13.984 ( -4.516 0.131 0.000) 4.518 14.621 ( 4.634 -5.529 0.000) 7.214 14.821 ( 5.235 1.713 0.000) 5.508 15.263 ( -2.905 0.080 0.000) 2.906 15.511 ( 6.858 -6.893 0.000) 9.724 15.706 ( -0.227 -0.238 0.000) 0.329 15.846 ( 5.279 0.123 0.000) 5.280 15.887 ( -2.367 3.558 0.000) 4.274 16.047 ( 0.682 -0.532 0.000) 0.865 16.176 ( -1.880 0.034 0.000) 1.881 16.503 ( -3.467 3.499 0.000) 4.926 16.667 ( -2.679 2.661 0.000) 3.776 16.922 ( 0.101 -4.319 0.000) 4.320 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 24.490 -1.446 0.000) 24.533 1.473 ( 23.580 15.471 0.000) 28.202 2.285 ( -17.591 -10.686 0.000) 20.583 2.296 ( -21.095 2.360 0.000) 21.226 2.724 ( 34.378 -8.376 0.000) 35.384 3.216 ( 2.123 4.556 0.000) 5.026 3.507 ( -0.698 -2.199 0.000) 2.307 3.535 ( 6.931 -4.103 0.000) 8.055 3.915 ( -6.090 5.922 0.000) 8.495 3.920 ( 5.177 3.168 0.000) 6.070 4.038 ( 0.296 0.427 0.000) 0.519 4.191 ( 0.474 -2.157 0.000) 2.209 4.290 ( -4.495 -1.598 0.000) 4.770 4.376 ( -8.831 0.465 0.000) 8.844 4.636 ( -5.761 1.833 0.000) 6.046 4.894 ( 0.547 -0.758 0.000) 0.934 4.937 ( 0.337 2.126 0.000) 2.153 5.014 ( -0.960 0.364 0.000) 1.027 5.421 ( -2.950 1.655 0.000) 3.383 5.467 ( 3.516 0.065 0.000) 3.517 5.561 ( 0.744 -0.736 0.000) 1.047 5.634 ( -1.631 -0.818 0.000) 1.825 6.570 ( 1.112 -0.332 0.000) 1.161 6.915 ( -2.227 0.030 0.000) 2.227 8.435 ( -6.932 0.562 0.000) 6.954 9.132 ( -3.565 -1.772 0.000) 3.981 9.715 ( 1.044 0.138 0.000) 1.053 9.806 ( 2.722 3.847 0.000) 4.713 9.853 ( 0.644 -1.799 0.000) 1.911 10.034 ( -0.055 -1.249 0.000) 1.250 10.304 ( 0.255 3.323 0.000) 3.333 10.488 ( 0.957 0.498 0.000) 1.079 11.204 ( -3.351 1.408 0.000) 3.634 11.233 ( 0.058 -0.316 0.000) 0.321 11.521 ( 0.758 -0.113 0.000) 0.767 12.017 ( 0.170 -2.880 0.000) 2.885 12.116 ( -3.113 2.647 0.000) 4.086 12.664 ( 3.233 0.320 0.000) 3.248 12.768 ( -4.909 -11.495 0.000) 12.500 12.800 ( 1.792 -0.333 0.000) 1.822 13.901 ( 0.093 21.317 0.000) 21.317 13.925 ( -1.655 -11.088 0.000) 11.211 14.691 ( 2.670 -3.067 0.000) 4.066 14.914 ( 4.206 1.065 0.000) 4.339 15.220 ( -1.620 0.077 0.000) 1.622 15.635 ( 6.044 -8.138 0.000) 10.137 15.702 ( -0.159 -0.173 0.000) 0.235 15.829 ( -3.814 5.438 0.000) 6.642 15.942 ( 4.600 0.036 0.000) 4.600 16.074 ( 1.965 -0.405 0.000) 2.006 16.133 ( -2.605 0.060 0.000) 2.606 16.446 ( -2.372 2.316 0.000) 3.315 16.600 ( -3.724 2.028 0.000) 4.240 16.930 ( 0.539 -2.695 0.000) 2.748 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -0.000 -0.000 0.000) 0.000 1.873 ( 0.000 -0.000 0.000) 0.000 1.889 ( -0.000 0.000 0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 3.106 ( -0.000 0.000 0.000) 0.000 3.261 ( 0.000 -0.000 0.000) 0.000 3.496 ( 0.000 -0.000 0.000) 0.000 3.610 ( 0.000 -0.000 0.000) 0.000 3.821 ( 0.000 -0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 -0.000 0.000) 0.000 4.281 ( 0.000 -0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 -0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 5.011 ( 0.000 -0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.615 ( -0.000 -0.000 0.000) 0.000 6.581 ( 0.000 -0.000 0.000) 0.000 6.893 ( 0.000 -0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.725 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 -0.000 0.000) 0.000 9.868 ( 0.000 -0.000 0.000) 0.000 10.025 ( 0.000 -0.000 0.000) 0.000 10.307 ( 0.000 0.000 0.000) 0.000 10.499 ( 0.000 0.000 0.000) 0.000 11.167 ( 0.000 -0.000 0.000) 0.000 11.234 ( 0.000 0.000 0.000) 0.000 11.533 ( 0.000 0.000 0.000) 0.000 12.031 ( 0.000 0.000 0.000) 0.000 12.075 ( 0.000 -0.000 0.000) 0.000 12.694 ( 0.000 -0.000 0.000) 0.000 12.717 ( 0.000 0.000 0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 13.895 ( 0.000 0.000 0.000) 0.000 13.917 ( 0.000 -0.000 0.000) 0.000 14.717 ( 0.000 0.000 0.000) 0.000 14.958 ( 0.000 0.000 0.000) 0.000 15.204 ( 0.000 0.000 0.000) 0.000 15.700 ( 0.000 0.000 0.000) 0.000 15.725 ( -0.000 0.000 0.000) 0.000 15.759 ( 0.000 -0.000 0.000) 0.000 15.997 ( 0.000 -0.000 0.000) 0.000 16.097 ( 0.000 0.000 0.000) 0.000 16.098 ( 0.000 -0.000 0.000) 0.000 16.423 ( 0.000 0.000 0.000) 0.000 16.559 ( 0.000 0.000 0.000) 0.000 16.936 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/90) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 17.883 18.442 0.000) 25.689 0.703 ( 30.756 5.966 0.000) 31.330 1.393 ( 28.985 41.684 0.000) 50.771 2.804 ( -9.410 -3.116 0.000) 9.913 2.926 ( -7.755 -11.404 0.000) 13.791 3.252 ( -2.075 3.389 0.000) 3.973 3.333 ( 6.254 -6.247 0.000) 8.840 3.365 ( -7.466 1.374 0.000) 7.591 3.687 ( 8.968 6.918 0.000) 11.326 3.732 ( 4.937 7.102 0.000) 8.650 3.945 ( -1.079 -4.294 0.000) 4.427 4.322 ( -3.076 -1.982 0.000) 3.660 4.514 ( -3.917 -4.578 0.000) 6.025 4.687 ( -5.806 -6.860 0.000) 8.988 4.770 ( 2.554 -0.660 0.000) 2.638 4.883 ( -2.307 -0.638 0.000) 2.394 4.887 ( 0.729 1.929 0.000) 2.062 5.134 ( 0.330 -2.833 0.000) 2.852 5.294 ( 3.928 3.774 0.000) 5.447 5.498 ( -0.672 -0.884 0.000) 1.110 5.549 ( -0.487 0.225 0.000) 0.536 5.712 ( 1.896 1.395 0.000) 2.354 6.528 ( -0.679 -0.392 0.000) 0.784 7.000 ( -1.903 -1.919 0.000) 2.703 8.743 ( -8.140 -8.950 0.000) 12.098 9.294 ( -3.324 -0.136 0.000) 3.327 9.635 ( -0.224 -1.761 0.000) 1.775 9.702 ( 1.826 -0.835 0.000) 2.008 9.809 ( -1.130 -0.183 0.000) 1.145 9.998 ( 6.135 7.137 0.000) 9.411 10.348 ( 5.308 0.110 0.000) 5.309 10.472 ( -0.417 -0.669 0.000) 0.788 11.225 ( -0.185 -0.293 0.000) 0.347 11.305 ( 5.845 1.547 0.000) 6.046 11.621 ( -4.066 -3.520 0.000) 5.378 12.076 ( -5.203 -3.425 0.000) 6.229 12.201 ( -0.557 -2.348 0.000) 2.413 12.507 ( 6.245 6.240 0.000) 8.828 12.738 ( 1.697 1.850 0.000) 2.511 12.855 ( -18.172 8.010 0.000) 19.859 13.698 ( 1.189 -15.454 0.000) 15.500 14.197 ( 5.766 -2.802 0.000) 6.411 14.579 ( -1.630 5.538 0.000) 5.772 14.816 ( 7.894 6.109 0.000) 9.981 15.292 ( -2.683 -2.750 0.000) 3.842 15.331 ( -4.481 3.118 0.000) 5.459 15.732 ( 0.819 1.382 0.000) 1.606 15.771 ( 2.900 2.426 0.000) 3.781 15.905 ( -0.225 -2.915 0.000) 2.924 16.048 ( 0.104 0.494 0.000) 0.505 16.194 ( -0.891 -0.913 0.000) 1.276 16.607 ( 0.703 -7.107 0.000) 7.142 16.647 ( 1.456 2.007 0.000) 2.479 16.928 ( -3.213 2.178 0.000) 3.882 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 21.936 11.402 0.000) 24.723 1.287 ( 28.752 6.954 0.000) 29.581 2.018 ( 35.802 22.063 0.000) 42.054 2.532 ( -17.890 -1.430 0.000) 17.947 2.700 ( -15.604 -0.658 0.000) 15.618 3.246 ( -3.550 -1.038 0.000) 3.699 3.283 ( 5.122 -4.858 0.000) 7.059 3.452 ( 4.266 -4.992 0.000) 6.566 3.841 ( 6.348 1.835 0.000) 6.608 3.858 ( 7.565 1.674 0.000) 7.748 3.979 ( 2.916 -6.848 0.000) 7.443 4.206 ( -8.536 0.332 0.000) 8.542 4.436 ( -3.493 -0.868 0.000) 3.599 4.566 ( -6.590 -0.690 0.000) 6.626 4.779 ( -3.848 2.946 0.000) 4.846 4.870 ( 2.410 -4.110 0.000) 4.765 4.897 ( 0.537 2.585 0.000) 2.641 5.107 ( -2.902 0.064 0.000) 2.903 5.378 ( 4.469 0.147 0.000) 4.471 5.495 ( -0.130 -0.132 0.000) 0.186 5.537 ( -0.485 0.268 0.000) 0.554 5.715 ( -1.613 4.095 0.000) 4.401 6.518 ( -0.138 -2.397 0.000) 2.401 6.954 ( -2.770 -1.481 0.000) 3.141 8.569 ( -9.505 -5.177 0.000) 10.823 9.197 ( -5.751 0.427 0.000) 5.767 9.657 ( 1.887 -4.986 0.000) 5.331 9.724 ( 0.161 -5.615 0.000) 5.617 9.815 ( 1.779 2.672 0.000) 3.210 10.095 ( 3.580 7.508 0.000) 8.318 10.423 ( 2.341 5.726 0.000) 6.186 10.470 ( 0.381 -0.932 0.000) 1.007 11.218 ( -0.721 -1.398 0.000) 1.573 11.408 ( 2.472 10.491 0.000) 10.778 11.490 ( -6.395 -3.864 0.000) 7.472 11.985 ( -3.852 -3.336 0.000) 5.096 12.182 ( -1.538 -1.083 0.000) 1.881 12.588 ( -8.693 -8.314 0.000) 12.029 12.629 ( 6.116 5.105 0.000) 7.967 12.777 ( 2.267 1.991 0.000) 3.017 13.726 ( 0.013 -14.583 0.000) 14.583 14.273 ( 1.667 7.944 0.000) 8.117 14.532 ( -0.881 -0.338 0.000) 0.944 14.942 ( 5.011 8.997 0.000) 10.299 15.237 ( -2.797 -2.560 0.000) 3.792 15.337 ( 4.160 -7.667 0.000) 8.723 15.735 ( -0.113 2.942 0.000) 2.944 15.852 ( 4.973 0.578 0.000) 5.007 15.891 ( -1.285 -3.548 0.000) 3.774 16.053 ( 0.605 1.623 0.000) 1.732 16.168 ( -1.821 -0.857 0.000) 2.013 16.538 ( -4.696 -2.334 0.000) 5.244 16.728 ( 2.338 2.480 0.000) 3.408 16.856 ( -2.602 -0.365 0.000) 2.628 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 22.300 7.152 0.000) 23.418 1.774 ( 23.206 12.688 0.000) 26.448 2.158 ( -20.220 -1.908 0.000) 20.310 2.364 ( -19.770 4.245 0.000) 20.220 2.678 ( 31.091 5.558 0.000) 31.584 3.199 ( -1.939 -5.772 0.000) 6.089 3.418 ( 8.431 -7.249 0.000) 11.119 3.514 ( 2.728 1.540 0.000) 3.133 3.899 ( -0.563 -5.291 0.000) 5.321 3.906 ( -5.393 -3.014 0.000) 6.178 4.002 ( -1.860 -5.188 0.000) 5.511 4.128 ( 3.872 0.556 0.000) 3.912 4.384 ( -1.673 4.700 0.000) 4.989 4.461 ( -4.123 7.677 0.000) 8.714 4.661 ( -7.580 1.538 0.000) 7.735 4.911 ( 0.928 2.473 0.000) 2.641 4.926 ( 2.529 -1.962 0.000) 3.201 5.041 ( -3.636 0.848 0.000) 3.733 5.448 ( 2.736 -2.060 0.000) 3.425 5.466 ( -2.759 2.443 0.000) 3.685 5.550 ( 1.572 -0.213 0.000) 1.586 5.671 ( -2.219 4.370 0.000) 4.901 6.524 ( 0.675 -4.165 0.000) 4.220 6.906 ( -2.054 -1.046 0.000) 2.305 8.414 ( -6.365 -2.570 0.000) 6.864 9.111 ( -2.851 -0.374 0.000) 2.875 9.685 ( 0.514 -9.524 0.000) 9.537 9.716 ( -0.454 -3.436 0.000) 3.466 9.862 ( 2.682 3.280 0.000) 4.237 10.126 ( 0.186 6.961 0.000) 6.963 10.434 ( -1.186 8.458 0.000) 8.540 10.484 ( 0.778 -1.036 0.000) 1.295 11.189 ( -2.529 -3.329 0.000) 4.181 11.309 ( -5.012 5.588 0.000) 7.506 11.519 ( 2.549 2.801 0.000) 3.787 11.943 ( -0.653 -4.417 0.000) 4.465 12.147 ( -2.053 0.437 0.000) 2.098 12.529 ( 2.359 -12.516 0.000) 12.737 12.717 ( 2.962 4.845 0.000) 5.678 12.818 ( 2.029 2.088 0.000) 2.911 13.689 ( -3.805 -14.517 0.000) 15.007 14.244 ( -3.647 15.040 0.000) 15.476 14.580 ( 4.596 -6.540 0.000) 7.994 15.010 ( 2.268 7.088 0.000) 7.442 15.194 ( -1.635 -2.494 0.000) 2.982 15.441 ( 6.246 -10.131 0.000) 11.902 15.733 ( -0.018 3.209 0.000) 3.209 15.859 ( -2.115 -3.343 0.000) 3.956 15.943 ( 4.434 0.118 0.000) 4.435 16.073 ( 1.350 1.347 0.000) 1.907 16.126 ( -2.583 -0.773 0.000) 2.696 16.451 ( -4.346 -2.472 0.000) 4.999 16.685 ( -4.577 6.040 0.000) 7.579 16.879 ( 3.173 -2.245 0.000) 3.887 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -21.731 -0.859 0.000) 21.748 1.899 ( 21.260 4.180 0.000) 21.667 1.967 ( -22.191 6.514 0.000) 23.127 2.191 ( 19.522 13.660 0.000) 23.826 3.049 ( 2.805 -5.997 0.000) 6.621 3.207 ( 4.249 -3.310 0.000) 5.386 3.552 ( -0.247 2.476 0.000) 2.488 3.562 ( 5.244 -4.774 0.000) 7.091 3.742 ( -9.319 -3.409 0.000) 9.923 3.838 ( -4.245 -10.957 0.000) 11.750 3.960 ( 1.229 -0.925 0.000) 1.538 4.219 ( 2.599 0.054 0.000) 2.600 4.395 ( 2.385 9.029 0.000) 9.338 4.418 ( -0.527 11.261 0.000) 11.273 4.538 ( -3.585 -2.165 0.000) 4.188 4.928 ( 0.739 2.852 0.000) 2.946 4.931 ( -2.268 -0.219 0.000) 2.279 5.001 ( -0.065 -1.042 0.000) 1.044 5.419 ( -1.526 2.657 0.000) 3.064 5.474 ( -0.068 -2.860 0.000) 2.860 5.572 ( 0.342 0.087 0.000) 0.353 5.658 ( 1.085 4.329 0.000) 4.463 6.535 ( 0.320 -4.626 0.000) 4.637 6.885 ( -0.032 -0.879 0.000) 0.880 8.347 ( -0.485 -1.924 0.000) 1.984 9.100 ( 1.700 0.230 0.000) 1.715 9.666 ( -1.937 -13.124 0.000) 13.266 9.717 ( 0.053 -0.651 0.000) 0.653 9.895 ( 0.421 3.010 0.000) 3.039 10.128 ( 0.590 6.792 0.000) 6.818 10.389 ( -3.031 7.649 0.000) 8.227 10.487 ( -0.571 -1.337 0.000) 1.454 11.153 ( -0.169 -3.317 0.000) 3.322 11.267 ( -0.425 3.605 0.000) 3.630 11.531 ( -0.963 1.480 0.000) 1.765 11.955 ( 1.684 -5.491 0.000) 5.743 12.111 ( -1.419 1.717 0.000) 2.227 12.667 ( 11.730 -5.116 0.000) 12.797 12.740 ( -0.401 4.481 0.000) 4.499 12.843 ( 0.385 2.436 0.000) 2.466 13.588 ( -6.912 -18.678 0.000) 19.916 14.175 ( -3.188 13.335 0.000) 13.710 14.654 ( 2.676 -4.631 0.000) 5.349 15.023 ( -0.947 5.096 0.000) 5.183 15.178 ( -0.062 -2.500 0.000) 2.501 15.558 ( 5.698 -9.828 0.000) 11.360 15.735 ( 0.146 3.327 0.000) 3.331 15.812 ( -2.791 -1.884 0.000) 3.367 15.997 ( 0.025 0.048 0.000) 0.054 16.089 ( -0.109 -0.834 0.000) 0.841 16.090 ( 0.082 0.430 0.000) 0.438 16.388 ( -1.866 -3.286 0.000) 3.779 16.620 ( -1.718 5.514 0.000) 5.776 16.932 ( 2.150 -0.643 0.000) 2.245 ======================= Grid point 15 (10/90) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -21.967 2.557 0.000) 22.116 1.531 ( -23.683 8.484 0.000) 25.157 2.289 ( 19.856 1.606 0.000) 19.921 2.512 ( 12.944 12.162 0.000) 17.761 2.898 ( -22.074 4.847 0.000) 22.599 3.108 ( -7.196 -1.697 0.000) 7.393 3.482 ( -2.199 -10.644 0.000) 10.869 3.538 ( -7.110 -4.032 0.000) 8.174 3.748 ( 5.779 -2.506 0.000) 6.299 3.813 ( 0.824 -6.918 0.000) 6.967 4.025 ( 0.971 -0.598 0.000) 1.141 4.214 ( -0.568 1.630 0.000) 1.727 4.408 ( 0.261 4.480 0.000) 4.487 4.443 ( 3.435 6.941 0.000) 7.744 4.600 ( 7.681 0.099 0.000) 7.682 4.888 ( -1.465 -1.800 0.000) 2.321 4.934 ( -0.220 3.132 0.000) 3.140 5.012 ( 1.168 -0.555 0.000) 1.293 5.420 ( 1.496 1.427 0.000) 2.068 5.445 ( -2.835 -2.171 0.000) 3.571 5.569 ( -0.444 0.118 0.000) 0.459 5.693 ( 1.968 4.686 0.000) 5.083 6.534 ( -0.387 -3.913 0.000) 3.932 6.905 ( 2.038 -1.066 0.000) 2.300 8.399 ( 5.838 -2.868 0.000) 6.504 9.167 ( 5.045 1.636 0.000) 5.304 9.627 ( -2.014 -12.505 0.000) 12.666 9.710 ( -0.745 -0.937 0.000) 1.197 9.877 ( -1.958 2.506 0.000) 3.180 10.144 ( 0.316 6.951 0.000) 6.958 10.341 ( -1.589 6.607 0.000) 6.795 10.468 ( -1.096 -1.615 0.000) 1.952 11.182 ( 2.380 -2.638 0.000) 3.553 11.277 ( 1.452 4.394 0.000) 4.627 11.506 ( -0.920 -0.575 0.000) 1.085 11.990 ( 1.707 -5.322 0.000) 5.589 12.106 ( 1.113 1.537 0.000) 1.898 12.707 ( -3.119 4.423 0.000) 5.412 12.829 ( -1.850 2.461 0.000) 3.079 12.933 ( 14.924 5.721 0.000) 15.982 13.436 ( -8.480 -27.311 0.000) 28.597 14.135 ( -0.979 11.002 0.000) 11.045 14.675 ( -0.358 -2.660 0.000) 2.684 14.979 ( -3.407 5.552 0.000) 6.514 15.192 ( 1.581 -2.510 0.000) 2.967 15.606 ( -2.637 -9.340 0.000) 9.705 15.738 ( 0.206 3.316 0.000) 3.322 15.780 ( 0.942 -1.229 0.000) 1.549 15.942 ( -4.581 0.080 0.000) 4.582 16.078 ( -0.959 1.116 0.000) 1.471 16.124 ( 2.596 -0.826 0.000) 2.725 16.393 ( 2.430 -3.254 0.000) 4.061 16.623 ( 1.595 4.103 0.000) 4.402 16.958 ( 0.649 -0.128 0.000) 0.661 ======================= Grid point 16 (11/90) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -18.213 12.903 0.000) 22.321 1.087 ( -23.206 11.465 0.000) 25.883 2.197 ( -40.796 18.369 0.000) 44.741 2.642 ( 17.501 -1.211 0.000) 17.543 2.738 ( 4.645 0.728 0.000) 4.701 3.135 ( 8.183 0.386 0.000) 8.192 3.378 ( -8.618 -5.218 0.000) 10.074 3.444 ( -2.796 -10.249 0.000) 10.624 3.793 ( -3.640 2.611 0.000) 4.479 3.849 ( 3.122 -2.863 0.000) 4.237 3.923 ( -7.975 -0.026 0.000) 7.975 4.263 ( 4.033 0.136 0.000) 4.035 4.438 ( 2.849 -0.652 0.000) 2.922 4.547 ( 7.219 -0.533 0.000) 7.238 4.723 ( 4.477 2.222 0.000) 4.998 4.879 ( 0.049 -3.075 0.000) 3.076 4.919 ( -1.311 2.437 0.000) 2.767 5.059 ( 3.956 0.843 0.000) 4.045 5.375 ( -4.394 0.132 0.000) 4.396 5.463 ( 2.578 -0.021 0.000) 2.578 5.559 ( -0.582 -0.086 0.000) 0.589 5.719 ( 0.599 4.113 0.000) 4.156 6.526 ( -0.270 -2.382 0.000) 2.398 6.953 ( 2.807 -1.482 0.000) 3.174 8.553 ( 10.031 -4.991 0.000) 11.204 9.261 ( 3.887 0.984 0.000) 4.010 9.606 ( 0.322 -8.524 0.000) 8.531 9.696 ( -0.459 -0.498 0.000) 0.678 9.836 ( -2.210 1.093 0.000) 2.465 10.111 ( -4.160 6.901 0.000) 8.057 10.334 ( 0.645 6.947 0.000) 6.977 10.460 ( 0.323 -1.070 0.000) 1.118 11.215 ( 0.981 -1.225 0.000) 1.569 11.308 ( 1.022 6.470 0.000) 6.551 11.530 ( 4.037 -2.121 0.000) 4.561 12.023 ( 2.125 -4.364 0.000) 4.854 12.148 ( 2.925 0.030 0.000) 2.925 12.624 ( -5.614 4.949 0.000) 7.484 12.783 ( -2.718 2.064 0.000) 3.413 13.056 ( -7.154 -7.149 0.000) 10.114 13.415 ( 11.310 -15.085 0.000) 18.854 14.142 ( 1.854 8.947 0.000) 9.137 14.647 ( -2.424 -1.548 0.000) 2.876 14.907 ( -4.078 8.272 0.000) 9.222 15.235 ( 2.869 -2.537 0.000) 3.830 15.475 ( -9.345 -8.973 0.000) 12.955 15.741 ( 0.032 2.983 0.000) 2.983 15.837 ( 3.908 -1.556 0.000) 4.207 15.849 ( -5.029 0.520 0.000) 5.056 16.061 ( -0.831 1.321 0.000) 1.561 16.167 ( 1.886 -0.863 0.000) 2.074 16.475 ( 6.071 -0.817 0.000) 6.126 16.654 ( 1.119 2.150 0.000) 2.424 16.957 ( -0.760 -1.019 0.000) 1.271 ======================= Grid point 20 (12/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 16.590 18.432 0.000) 24.799 1.374 ( 28.459 6.202 0.000) 29.127 2.566 ( 19.932 29.368 0.000) 35.493 2.574 ( -16.073 5.752 0.000) 17.071 2.598 ( -4.780 -10.320 0.000) 11.373 3.142 ( -4.329 -8.268 0.000) 9.333 3.278 ( -3.261 4.403 0.000) 5.479 3.347 ( 5.442 -4.960 0.000) 7.364 3.817 ( -1.097 -4.663 0.000) 4.790 3.865 ( 2.394 -4.571 0.000) 5.159 3.948 ( 0.916 5.699 0.000) 5.772 4.224 ( -4.115 1.237 0.000) 4.297 4.396 ( -1.314 -2.219 0.000) 2.579 4.568 ( 2.750 1.305 0.000) 3.044 4.774 ( -1.306 -5.043 0.000) 5.209 4.845 ( 2.395 2.920 0.000) 3.777 4.956 ( 1.321 3.033 0.000) 3.308 5.057 ( -1.215 -4.292 0.000) 4.460 5.381 ( 0.531 0.270 0.000) 0.596 5.481 ( 1.796 -1.100 0.000) 2.106 5.552 ( -0.577 0.997 0.000) 1.152 5.775 ( 1.281 1.850 0.000) 2.250 6.471 ( -3.003 -2.300 0.000) 3.782 6.917 ( -2.179 -2.230 0.000) 3.118 8.448 ( -5.706 -6.759 0.000) 8.845 9.216 ( -5.527 0.723 0.000) 5.574 9.487 ( -3.511 -9.453 0.000) 10.084 9.695 ( 0.402 0.253 0.000) 0.475 9.876 ( 2.811 3.443 0.000) 4.445 10.215 ( 3.658 4.779 0.000) 6.019 10.443 ( -0.466 -1.694 0.000) 1.757 10.481 ( 7.122 1.171 0.000) 7.218 11.171 ( -3.759 -3.890 0.000) 5.410 11.380 ( -2.949 -5.585 0.000) 6.316 11.554 ( 8.568 3.625 0.000) 9.303 11.928 ( -4.762 -2.740 0.000) 5.494 12.151 ( -0.064 -1.657 0.000) 1.658 12.645 ( -23.629 12.306 0.000) 26.642 12.732 ( 5.856 5.106 0.000) 7.770 12.827 ( 2.395 3.120 0.000) 3.933 13.388 ( 1.367 -20.902 0.000) 20.947 14.307 ( 8.766 0.025 0.000) 8.766 14.594 ( -4.199 3.777 0.000) 5.648 15.052 ( 6.270 1.677 0.000) 6.490 15.183 ( -2.723 -2.827 0.000) 3.925 15.327 ( -4.609 6.308 0.000) 7.812 15.790 ( 1.656 2.161 0.000) 2.723 15.795 ( -2.832 -5.743 0.000) 6.403 15.879 ( 2.952 2.641 0.000) 3.961 16.090 ( 1.457 1.911 0.000) 2.403 16.143 ( -1.705 -1.795 0.000) 2.476 16.434 ( -3.285 -6.932 0.000) 7.670 16.738 ( 5.546 -0.620 0.000) 5.580 16.896 ( -4.743 2.593 0.000) 5.405 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 18.102 13.612 0.000) 22.649 1.908 ( 26.988 3.842 0.000) 27.260 2.225 ( -19.439 8.674 0.000) 21.287 2.424 ( -13.722 1.102 0.000) 13.766 2.914 ( 15.433 14.561 0.000) 21.218 3.053 ( -4.204 -8.208 0.000) 9.222 3.302 ( 5.714 -4.028 0.000) 6.991 3.499 ( 8.058 -2.224 0.000) 8.359 3.746 ( -6.040 -10.244 0.000) 11.892 3.849 ( -5.072 -3.731 0.000) 6.296 3.943 ( -0.655 0.260 0.000) 0.705 4.186 ( 1.141 4.483 0.000) 4.626 4.412 ( 2.815 -0.536 0.000) 2.866 4.628 ( 2.706 9.369 0.000) 9.752 4.676 ( -7.346 -0.960 0.000) 7.409 4.926 ( 3.954 2.190 0.000) 4.520 4.974 ( 0.862 3.747 0.000) 3.845 5.019 ( -2.655 -2.267 0.000) 3.492 5.391 ( 0.424 -3.839 0.000) 3.862 5.504 ( -0.489 1.664 0.000) 1.734 5.552 ( 1.281 0.338 0.000) 1.325 5.767 ( -1.471 4.885 0.000) 5.102 6.430 ( -1.210 -5.431 0.000) 5.565 6.879 ( -1.648 -1.681 0.000) 2.354 8.354 ( -4.016 -3.352 0.000) 5.231 9.114 ( -3.756 0.612 0.000) 3.806 9.442 ( -2.005 -13.229 0.000) 13.380 9.707 ( 0.730 0.368 0.000) 0.818 9.931 ( 2.759 3.903 0.000) 4.780 10.243 ( -0.225 5.227 0.000) 5.231 10.447 ( 0.553 -2.903 0.000) 2.956 10.567 ( 1.515 5.311 0.000) 5.523 11.073 ( -5.442 -9.138 0.000) 10.635 11.310 ( -2.618 -2.750 0.000) 3.797 11.715 ( 4.349 13.607 0.000) 14.285 11.862 ( -2.036 -3.981 0.000) 4.472 12.144 ( -0.597 -0.331 0.000) 0.682 12.366 ( -2.908 -2.912 0.000) 4.115 12.820 ( 3.003 5.413 0.000) 6.190 12.869 ( 2.093 3.023 0.000) 3.677 13.358 ( -4.840 -20.566 0.000) 21.128 14.464 ( 5.830 5.213 0.000) 7.821 14.502 ( -3.309 1.868 0.000) 3.800 15.122 ( 1.017 3.407 0.000) 3.555 15.141 ( -1.618 -2.822 0.000) 3.253 15.322 ( 3.623 -1.013 0.000) 3.762 15.741 ( -2.674 -7.927 0.000) 8.366 15.806 ( 0.372 4.081 0.000) 4.098 15.948 ( 3.868 0.462 0.000) 3.895 16.104 ( -2.469 -1.605 0.000) 2.945 16.111 ( 0.765 2.087 0.000) 2.223 16.367 ( -3.515 -5.542 0.000) 6.563 16.791 ( -3.784 4.572 0.000) 5.935 16.846 ( 3.480 -1.446 0.000) 3.769 ======================= Grid point 22 (14/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -18.001 13.102 0.000) 22.264 2.027 ( 17.410 8.817 0.000) 19.516 2.109 ( -18.753 8.097 0.000) 20.427 2.372 ( 21.900 4.997 0.000) 22.463 2.918 ( -8.548 -6.909 0.000) 10.991 3.150 ( 7.747 -3.416 0.000) 8.466 3.451 ( 7.962 -6.463 0.000) 10.255 3.581 ( -4.362 3.308 0.000) 5.474 3.614 ( -6.456 -12.328 0.000) 13.916 3.744 ( -2.537 0.702 0.000) 2.632 3.945 ( 2.259 -0.989 0.000) 2.466 4.228 ( 1.990 1.632 0.000) 2.573 4.498 ( 3.678 0.868 0.000) 3.779 4.528 ( -5.040 1.684 0.000) 5.313 4.647 ( -0.796 12.578 0.000) 12.603 4.958 ( -2.365 -2.498 0.000) 3.440 4.977 ( 0.271 4.660 0.000) 4.668 4.992 ( 0.933 3.586 0.000) 3.706 5.394 ( -0.144 -5.578 0.000) 5.580 5.477 ( -1.543 3.347 0.000) 3.686 5.574 ( 0.372 0.103 0.000) 0.386 5.757 ( 0.880 5.473 0.000) 5.543 6.423 ( 0.306 -6.839 0.000) 6.846 6.862 ( -0.028 -1.451 0.000) 1.451 8.309 ( -0.433 -1.737 0.000) 1.790 9.100 ( 2.280 -0.241 0.000) 2.293 9.403 ( -2.038 -13.875 0.000) 14.024 9.715 ( -0.033 0.418 0.000) 0.420 9.963 ( 0.159 3.928 0.000) 3.931 10.240 ( 0.625 5.036 0.000) 5.075 10.446 ( -0.752 -3.002 0.000) 3.094 10.543 ( -2.965 7.727 0.000) 8.277 11.023 ( 0.571 -10.345 0.000) 10.361 11.288 ( 0.035 -1.439 0.000) 1.440 11.686 ( -4.719 14.911 0.000) 15.641 11.852 ( 0.752 -5.193 0.000) 5.247 12.133 ( -0.518 0.707 0.000) 0.877 12.539 ( 17.763 -7.921 0.000) 19.449 12.841 ( -0.524 5.572 0.000) 5.596 12.898 ( 0.498 2.996 0.000) 3.037 13.209 ( -10.762 -21.124 0.000) 23.708 14.396 ( -4.524 9.334 0.000) 10.373 14.594 ( 4.393 -0.905 0.000) 4.485 15.109 ( -1.817 3.796 0.000) 4.208 15.125 ( -0.041 -2.800 0.000) 2.801 15.418 ( 5.169 -4.261 0.000) 6.699 15.698 ( -1.865 -8.753 0.000) 8.950 15.810 ( 0.130 4.390 0.000) 4.392 15.999 ( 0.043 0.083 0.000) 0.094 16.066 ( -0.132 -1.584 0.000) 1.590 16.119 ( 0.117 1.876 0.000) 1.880 16.315 ( -1.540 -4.086 0.000) 4.367 16.729 ( -1.847 5.509 0.000) 5.810 16.906 ( 2.209 -2.051 0.000) 3.014 ======================= Grid point 24 (15/90) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -13.664 20.202 0.000) 24.389 1.731 ( -20.524 12.180 0.000) 23.866 2.345 ( 15.722 3.643 0.000) 16.138 2.706 ( 4.215 6.349 0.000) 7.621 2.747 ( -0.772 -13.053 0.000) 13.075 3.245 ( -4.370 -9.984 0.000) 10.899 3.289 ( -13.124 14.536 0.000) 19.584 3.409 ( -8.204 -8.285 0.000) 11.660 3.680 ( 8.975 -7.324 0.000) 11.584 3.788 ( 3.843 2.416 0.000) 4.539 4.003 ( 1.295 -2.352 0.000) 2.685 4.241 ( -0.401 1.347 0.000) 1.405 4.400 ( -3.570 -1.890 0.000) 4.039 4.610 ( -2.631 10.050 0.000) 10.389 4.653 ( 7.781 1.931 0.000) 8.017 4.902 ( -3.022 3.249 0.000) 4.438 4.992 ( 1.812 -0.742 0.000) 1.958 4.995 ( -0.939 2.988 0.000) 3.132 5.388 ( -0.415 -3.801 0.000) 3.824 5.465 ( 0.329 3.144 0.000) 3.161 5.568 ( -0.707 -0.126 0.000) 0.718 5.782 ( 0.979 4.105 0.000) 4.220 6.437 ( 1.250 -5.839 0.000) 5.971 6.878 ( 1.650 -1.644 0.000) 2.329 8.343 ( 3.960 -2.729 0.000) 4.809 9.179 ( 4.765 -0.679 0.000) 4.813 9.383 ( 0.948 -12.017 0.000) 12.054 9.707 ( -0.740 0.423 0.000) 0.853 9.936 ( -2.669 3.478 0.000) 4.384 10.258 ( 0.238 4.962 0.000) 4.967 10.428 ( -0.536 -2.547 0.000) 2.603 10.498 ( -1.372 8.696 0.000) 8.804 11.080 ( 4.810 -8.434 0.000) 9.709 11.307 ( 2.179 -1.796 0.000) 2.823 11.607 ( -3.159 12.459 0.000) 12.853 11.881 ( 2.180 -5.520 0.000) 5.935 12.130 ( 0.442 0.898 0.000) 1.001 12.808 ( -2.903 5.709 0.000) 6.404 12.869 ( 2.534 -23.355 0.000) 23.492 12.881 ( -2.188 2.750 0.000) 3.514 13.025 ( 4.980 -4.162 0.000) 6.490 14.329 ( -2.470 9.404 0.000) 9.723 14.633 ( -0.176 -1.712 0.000) 1.721 15.073 ( -1.542 4.321 0.000) 4.587 15.140 ( 1.611 -2.749 0.000) 3.186 15.447 ( -3.580 -6.188 0.000) 7.149 15.701 ( 3.231 -6.098 0.000) 6.901 15.810 ( -0.293 3.895 0.000) 3.906 15.947 ( -3.993 0.508 0.000) 4.025 16.102 ( 2.521 -1.538 0.000) 2.953 16.116 ( -0.670 2.053 0.000) 2.160 16.329 ( 3.385 -3.304 0.000) 4.730 16.722 ( 0.690 5.601 0.000) 5.644 16.924 ( -0.272 -3.129 0.000) 3.141 ======================= Grid point 30 (16/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 12.956 15.623 0.000) 20.297 2.000 ( 24.269 6.991 0.000) 25.256 2.377 ( -1.800 -6.160 0.000) 6.417 2.441 ( -15.521 11.940 0.000) 19.582 2.833 ( 4.047 -11.254 0.000) 11.959 3.104 ( -6.086 0.420 0.000) 6.101 3.291 ( -2.527 2.851 0.000) 3.809 3.537 ( -7.825 -11.390 0.000) 13.819 3.544 ( 11.474 8.294 0.000) 14.158 3.788 ( -2.175 -2.747 0.000) 3.504 3.940 ( -3.477 -1.708 0.000) 3.874 4.266 ( 1.245 2.879 0.000) 3.137 4.421 ( 4.247 2.981 0.000) 5.188 4.630 ( -3.796 -3.737 0.000) 5.327 4.792 ( 8.454 7.538 0.000) 11.326 4.911 ( -1.946 -3.042 0.000) 3.611 5.036 ( 1.222 2.397 0.000) 2.691 5.050 ( 5.080 4.511 0.000) 6.794 5.312 ( -3.920 -4.195 0.000) 5.742 5.527 ( 2.804 0.782 0.000) 2.911 5.565 ( -0.093 0.966 0.000) 0.971 5.832 ( 1.227 1.825 0.000) 2.199 6.339 ( -4.003 -3.752 0.000) 5.486 6.849 ( -1.303 -1.323 0.000) 1.857 8.304 ( -1.388 -1.731 0.000) 2.219 9.128 ( -4.320 0.355 0.000) 4.335 9.226 ( -4.200 -8.625 0.000) 9.594 9.720 ( 0.771 0.747 0.000) 1.074 10.001 ( 3.108 3.184 0.000) 4.449 10.317 ( 0.779 2.178 0.000) 2.313 10.388 ( -0.986 -2.482 0.000) 2.671 10.633 ( 4.892 1.818 0.000) 5.219 10.894 ( -9.450 -7.996 0.000) 12.379 11.271 ( -1.386 -1.261 0.000) 1.874 11.799 ( -3.050 -2.614 0.000) 4.017 11.902 ( 16.571 6.604 0.000) 17.838 12.141 ( 0.258 -0.010 0.000) 0.258 12.439 ( -17.666 7.835 0.000) 19.326 12.901 ( 3.694 2.845 0.000) 4.662 12.923 ( 1.637 2.467 0.000) 2.961 12.954 ( -6.016 -20.186 0.000) 21.064 14.468 ( 4.353 0.437 0.000) 4.375 14.614 ( 0.272 4.223 0.000) 4.231 15.097 ( -1.631 -1.657 0.000) 2.325 15.150 ( 3.722 1.267 0.000) 3.932 15.377 ( -1.621 4.155 0.000) 4.460 15.589 ( -5.163 -7.560 0.000) 9.155 15.870 ( 2.168 2.299 0.000) 3.160 15.967 ( 1.756 1.732 0.000) 2.467 16.067 ( -2.188 -2.269 0.000) 3.152 16.140 ( 0.542 0.811 0.000) 0.976 16.275 ( -2.246 -3.457 0.000) 4.123 16.814 ( 3.875 -0.980 0.000) 3.997 16.858 ( -3.372 1.733 0.000) 3.791 ======================= Grid point 31 (17/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -11.954 18.160 0.000) 21.741 2.194 ( 7.023 7.545 0.000) 10.307 2.254 ( -7.598 6.891 0.000) 10.257 2.412 ( 17.270 0.534 0.000) 17.279 2.800 ( -7.579 -5.883 0.000) 9.595 3.055 ( 2.258 -6.610 0.000) 6.985 3.341 ( 6.345 -4.700 0.000) 7.896 3.397 ( -5.736 -9.809 0.000) 11.363 3.680 ( -0.628 5.593 0.000) 5.628 3.740 ( 0.056 -0.394 0.000) 0.398 3.905 ( 0.472 -3.065 0.000) 3.101 4.283 ( 0.397 3.510 0.000) 3.532 4.517 ( -1.692 1.565 0.000) 2.305 4.540 ( 1.432 -0.033 0.000) 1.432 4.879 ( -0.444 11.932 0.000) 11.940 4.883 ( -0.366 -4.161 0.000) 4.177 5.050 ( 0.596 2.310 0.000) 2.386 5.102 ( -0.139 6.264 0.000) 6.265 5.266 ( -0.158 -8.060 0.000) 8.061 5.540 ( -0.627 3.149 0.000) 3.211 5.575 ( 0.272 0.026 0.000) 0.273 5.842 ( 0.225 3.167 0.000) 3.175 6.301 ( 0.074 -5.364 0.000) 5.365 6.835 ( -0.006 -1.194 0.000) 1.194 8.290 ( -0.105 -0.377 0.000) 0.391 9.092 ( 1.548 -0.466 0.000) 1.616 9.178 ( -1.465 -9.177 0.000) 9.293 9.728 ( -0.007 0.769 0.000) 0.769 10.035 ( 0.012 3.431 0.000) 3.431 10.315 ( 0.487 2.850 0.000) 2.892 10.382 ( -0.511 -3.425 0.000) 3.462 10.658 ( -1.394 4.273 0.000) 4.494 10.809 ( 0.946 -10.502 0.000) 10.545 11.259 ( 0.044 -1.118 0.000) 1.119 11.771 ( 0.118 -3.125 0.000) 3.127 12.022 ( -5.766 19.488 0.000) 20.323 12.142 ( -0.068 0.343 0.000) 0.349 12.397 ( 12.601 -6.311 0.000) 14.093 12.813 ( -6.474 -20.577 0.000) 21.572 12.930 ( -0.334 3.530 0.000) 3.546 12.946 ( 0.328 1.896 0.000) 1.924 14.486 ( -1.027 1.011 0.000) 1.441 14.641 ( 1.050 4.448 0.000) 4.570 15.082 ( -0.007 -1.660 0.000) 1.660 15.180 ( -0.981 4.395 0.000) 4.503 15.392 ( 2.717 0.516 0.000) 2.766 15.522 ( -1.474 -9.246 0.000) 9.363 15.889 ( 0.036 3.777 0.000) 3.777 16.000 ( 0.037 0.070 0.000) 0.080 16.031 ( -0.066 -2.102 0.000) 2.103 16.144 ( 0.093 0.662 0.000) 0.669 16.249 ( -0.369 -2.614 0.000) 2.640 16.812 ( -1.103 3.098 0.000) 3.289 16.864 ( 1.174 -2.079 0.000) 2.388 ======================= Grid point 44 (18/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.000 0.000 0.000) 0.000 2.332 ( -0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.968 ( -0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 -0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 5.073 ( -0.000 -0.000 0.000) 0.000 5.073 ( -0.000 0.000 0.000) 0.000 5.109 ( 0.000 -0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.823 ( 0.000 0.000 0.000) 0.000 8.288 ( 0.000 -0.000 0.000) 0.000 9.087 ( 0.000 0.000 0.000) 0.000 9.087 ( 0.000 0.000 0.000) 0.000 9.737 ( 0.000 0.000 0.000) 0.000 10.073 ( -0.000 0.000 0.000) 0.000 10.343 ( 0.000 0.000 0.000) 0.000 10.343 ( 0.000 0.000 0.000) 0.000 10.699 ( 0.000 0.000 0.000) 0.000 10.699 ( 0.000 0.000 0.000) 0.000 11.249 ( 0.000 0.000 0.000) 0.000 11.741 ( 0.000 0.000 0.000) 0.000 12.145 ( 0.000 0.000 0.000) 0.000 12.333 ( 0.000 -0.000 0.000) 0.000 12.333 ( 0.000 0.000 0.000) 0.000 12.496 ( -0.000 0.000 0.000) 0.000 12.964 ( 0.000 0.000 0.000) 0.000 12.964 ( 0.000 0.000 0.000) 0.000 14.490 ( 0.000 0.000 0.000) 0.000 14.690 ( 0.000 0.000 0.000) 0.000 15.066 ( 0.000 0.000 0.000) 0.000 15.251 ( 0.000 0.000 0.000) 0.000 15.402 ( -0.000 0.000 0.000) 0.000 15.402 ( 0.000 0.000 0.000) 0.000 15.935 ( -0.000 0.000 0.000) 0.000 16.001 ( 0.000 0.000 0.000) 0.000 16.001 ( 0.000 0.000 0.000) 0.000 16.148 ( 0.000 0.000 0.000) 0.000 16.225 ( 0.000 0.000 0.000) 0.000 16.842 ( -0.000 0.000 0.000) 0.000 16.842 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 81 (19/90) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 0.000 -0.000 27.833) 27.833 0.561 ( 0.000 0.000 27.833) 27.833 1.201 ( 0.000 0.000 59.013) 59.013 3.004 ( 0.000 0.000 4.881) 4.881 3.099 ( 0.000 0.000 -7.557) 7.557 3.099 ( 0.000 0.000 -7.557) 7.557 3.419 ( 0.000 0.000 4.347) 4.347 3.419 ( 0.000 0.000 4.347) 4.347 3.432 ( 0.000 0.000 0.059) 0.059 3.957 ( 0.000 0.000 5.581) 5.581 4.006 ( 0.000 0.000 0.768) 0.768 4.006 ( 0.000 0.000 0.768) 0.768 4.362 ( 0.000 0.000 -1.131) 1.131 4.757 ( -0.000 0.000 -10.581) 10.581 4.757 ( -0.000 0.000 2.926) 2.926 4.931 ( 0.000 -0.000 5.912) 5.912 4.931 ( 0.000 0.000 5.912) 5.912 5.104 ( -0.000 0.000 -3.228) 3.228 5.349 ( -0.000 0.000 11.157) 11.157 5.398 ( 0.000 0.000 -10.459) 10.459 5.398 ( 0.000 0.000 -10.459) 10.459 5.547 ( 0.000 0.000 -0.990) 0.990 6.464 ( -0.000 0.000 -6.350) 6.350 7.002 ( 0.000 0.000 -4.084) 4.084 9.022 ( 0.000 0.000 6.838) 6.838 9.638 ( 0.000 0.000 -1.479) 1.479 9.638 ( 0.000 0.000 -1.479) 1.479 9.854 ( -0.000 0.000 1.848) 1.848 9.854 ( 0.000 0.000 1.848) 1.848 10.341 ( 0.000 0.000 4.265) 4.265 10.341 ( 0.000 0.000 4.265) 4.265 10.435 ( 0.000 0.000 8.538) 8.538 10.928 ( 0.000 0.000 14.216) 14.216 11.093 ( 0.000 0.000 -8.545) 8.545 11.674 ( 0.000 0.000 -1.839) 1.839 12.265 ( 0.000 0.000 2.858) 2.858 12.265 ( 0.000 0.000 2.858) 2.858 12.347 ( 0.000 0.000 3.755) 3.755 12.939 ( -0.000 0.000 11.062) 11.062 12.955 ( 0.000 0.000 -0.465) 0.465 12.955 ( 0.000 0.000 -0.465) 0.465 14.159 ( 0.000 0.000 -1.595) 1.595 14.159 ( -0.000 0.000 -1.595) 1.595 14.349 ( 0.000 0.000 -9.180) 9.180 14.621 ( 0.000 0.000 -7.748) 7.748 15.428 ( -0.000 0.000 6.314) 6.314 15.694 ( 0.000 0.000 -1.714) 1.714 15.694 ( 0.000 0.000 -1.714) 1.714 15.873 ( 0.000 0.000 -5.302) 5.302 16.061 ( 0.000 0.000 1.069) 1.069 16.530 ( 0.000 0.000 -6.581) 6.581 16.530 ( 0.000 0.000 -6.581) 6.581 16.706 ( 0.000 0.000 2.336) 2.336 17.543 ( -0.000 0.000 -2.326) 2.326 ======================= Grid point 82 (20/90) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 16.466 8.549 20.977) 28.005 0.852 ( 21.946 -3.138 21.023) 30.552 1.491 ( 29.164 -2.624 43.984) 52.839 2.889 ( -10.221 -1.891 2.455) 10.680 3.061 ( -7.700 3.918 -0.471) 8.653 3.183 ( 3.512 -3.860 -6.700) 8.492 3.308 ( -4.283 -0.598 3.334) 5.461 3.451 ( -0.327 6.863 2.471) 7.301 3.545 ( 10.922 -4.478 -0.351) 11.810 3.760 ( 1.402 -1.217 3.097) 3.611 4.017 ( 0.860 -1.526 0.555) 1.837 4.295 ( 1.863 4.048 -7.337) 8.584 4.338 ( 0.632 -0.345 -3.472) 3.545 4.718 ( -3.668 1.184 -2.759) 4.740 4.773 ( 2.340 -2.339 -2.598) 4.206 4.915 ( -1.979 -1.858 6.533) 7.074 4.948 ( 0.791 2.259 5.552) 6.046 5.085 ( -2.121 0.396 -3.196) 3.856 5.364 ( 2.042 2.489 3.486) 4.745 5.404 ( 0.677 -3.041 -6.184) 6.925 5.463 ( 3.090 0.737 -10.222) 10.704 5.558 ( 1.567 -0.001 -2.655) 3.083 6.454 ( -0.493 -0.097 -6.415) 6.435 6.982 ( -1.969 0.007 -3.950) 4.414 8.895 ( -11.242 0.001 5.754) 12.629 9.613 ( -5.603 -2.782 3.461) 7.149 9.697 ( 2.271 5.296 2.914) 6.457 9.830 ( 0.772 -3.791 7.014) 8.010 9.859 ( 0.467 0.490 2.324) 2.420 10.013 ( -6.839 0.405 21.043) 22.130 10.329 ( -1.132 1.442 3.220) 3.705 10.506 ( 0.009 -0.150 2.742) 2.746 11.080 ( 1.765 -0.018 -13.024) 13.143 11.170 ( 8.581 1.386 2.342) 9.002 11.608 ( -6.311 0.599 -2.607) 6.855 12.174 ( -5.128 -3.757 3.855) 7.434 12.292 ( 0.364 3.889 5.691) 6.903 12.475 ( 8.445 -1.333 3.858) 9.380 12.833 ( -0.461 1.260 9.074) 9.172 12.929 ( -2.979 -12.976 -1.197) 13.367 13.485 ( 24.505 12.952 -25.355) 37.565 14.060 ( -6.713 1.478 -3.047) 7.519 14.308 ( 13.722 -6.035 -12.929) 19.796 14.511 ( 15.728 0.919 -12.289) 19.981 14.658 ( 3.804 0.453 -7.418) 8.349 15.393 ( -2.892 -0.094 5.795) 6.477 15.693 ( -0.119 -0.286 -1.801) 1.828 15.739 ( 3.717 0.389 -1.382) 3.985 15.866 ( -0.439 0.114 -4.657) 4.679 16.054 ( -0.599 -0.071 0.806) 1.007 16.500 ( -2.980 -2.853 -4.209) 5.894 16.544 ( 1.113 3.235 -4.494) 5.648 16.691 ( -1.443 -0.079 0.960) 1.735 17.289 ( -19.568 -0.260 11.637) 22.768 ======================= Grid point 83 (21/90) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 21.569 8.896 13.454) 26.933 1.261 ( 21.531 2.475 19.124) 28.904 2.158 ( 37.945 -6.601 23.518) 45.127 2.645 ( -15.157 -5.209 2.524) 16.224 2.801 ( -17.194 1.292 9.329) 19.604 3.211 ( 0.504 4.004 1.261) 4.228 3.343 ( 6.020 -4.056 -4.758) 8.680 3.437 ( -0.408 2.391 -3.983) 4.663 3.769 ( 9.997 -0.031 -1.921) 10.180 3.861 ( 6.972 -2.649 -2.744) 7.947 4.024 ( -0.462 -1.187 0.027) 1.274 4.189 ( -7.628 1.291 -1.215) 7.831 4.336 ( -2.600 4.520 -3.789) 6.446 4.640 ( -4.155 1.417 1.183) 4.546 4.828 ( -0.228 -5.247 6.231) 8.149 4.851 ( -1.929 0.830 0.756) 2.232 4.956 ( 0.280 1.274 4.630) 4.811 5.034 ( -2.752 1.986 -2.114) 3.998 5.367 ( -2.104 2.390 -10.670) 11.135 5.450 ( 3.782 -0.633 5.005) 6.305 5.478 ( -0.375 -0.895 -7.440) 7.503 5.587 ( 0.695 -0.002 -4.732) 4.782 6.460 ( 1.073 -0.416 -7.006) 7.100 6.935 ( -2.874 0.039 -3.625) 4.626 8.668 ( -11.649 0.377 5.210) 12.767 9.450 ( -8.448 -2.791 14.682) 17.167 9.736 ( 2.510 4.083 0.994) 4.895 9.865 ( 0.173 -0.395 4.719) 4.738 9.886 ( 2.086 -2.825 13.898) 14.334 10.022 ( 3.720 1.993 3.056) 5.211 10.310 ( -0.652 1.837 1.163) 2.270 10.496 ( -0.415 -0.055 2.289) 2.327 11.097 ( 0.586 -0.021 -11.470) 11.485 11.274 ( 2.179 4.089 4.044) 6.150 11.480 ( -5.422 -0.309 -5.011) 7.389 12.105 ( -2.119 -4.684 5.326) 7.403 12.272 ( -2.098 3.880 8.430) 9.515 12.622 ( 6.827 -0.754 4.210) 8.056 12.831 ( -3.200 -10.910 1.296) 11.443 12.856 ( -1.480 -5.489 4.100) 7.009 13.722 ( 5.450 17.843 -15.628) 24.337 13.954 ( -4.434 -0.576 -3.038) 5.406 14.505 ( 7.380 -6.368 -10.270) 14.159 14.748 ( 5.379 3.247 -7.372) 9.686 14.886 ( 18.711 -2.865 -27.641) 33.501 15.349 ( -1.134 -0.966 5.391) 5.594 15.688 ( -0.492 -0.249 -2.244) 2.311 15.772 ( -1.094 1.383 -5.038) 5.338 15.898 ( 4.598 0.135 0.352) 4.613 16.048 ( 0.130 -0.261 0.152) 0.328 16.430 ( -4.041 -4.315 0.802) 5.966 16.548 ( -1.145 5.245 1.174) 5.496 16.656 ( -2.508 1.307 -0.821) 2.945 16.982 ( -11.843 -2.018 7.256) 14.035 ======================= Grid point 84 (22/90) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 22.040 7.522 8.986) 24.962 1.662 ( 21.020 4.227 15.212) 26.289 2.321 ( -18.199 -6.662 4.355) 19.863 2.449 ( -18.746 -0.404 13.050) 22.845 2.839 ( 30.209 -7.599 11.178) 33.095 3.234 ( 1.951 4.743 1.805) 5.437 3.396 ( -0.560 -2.629 -8.278) 8.703 3.510 ( 7.102 0.436 -2.763) 7.633 3.834 ( -2.580 1.430 -3.562) 4.625 3.946 ( -1.159 -2.880 -9.916) 10.390 4.030 ( 1.067 -0.818 5.090) 5.265 4.088 ( -1.411 2.073 0.688) 2.600 4.289 ( -0.232 3.041 0.730) 3.136 4.564 ( -4.559 1.564 1.295) 4.991 4.699 ( -7.575 -1.068 14.110) 16.051 4.907 ( 3.239 -3.054 0.048) 4.453 4.962 ( 0.352 1.799 1.965) 2.687 4.992 ( -1.711 1.983 -0.398) 2.649 5.311 ( -3.065 2.452 -10.790) 11.482 5.464 ( -0.644 -2.358 -8.555) 8.897 5.518 ( 2.781 0.809 3.301) 4.391 5.588 ( -0.245 -0.203 -3.387) 3.402 6.485 ( 1.284 -0.416 -7.083) 7.211 6.885 ( -2.114 0.055 -3.298) 3.917 8.488 ( -6.956 0.408 5.140) 8.659 9.328 ( -4.424 -1.888 15.768) 16.485 9.782 ( 2.016 2.462 -1.327) 3.447 9.868 ( 0.241 -2.506 7.325) 7.745 9.904 ( 0.090 1.143 9.536) 9.604 10.074 ( 1.462 0.874 4.325) 4.648 10.304 ( -0.131 1.540 0.076) 1.548 10.503 ( 1.046 -0.024 1.569) 1.886 11.105 ( 0.255 0.115 -10.530) 10.534 11.229 ( -4.920 2.176 2.662) 6.003 11.466 ( 2.364 0.449 -3.591) 4.322 12.092 ( 0.546 -4.652 6.312) 7.860 12.224 ( -2.731 4.060 9.585) 10.762 12.693 ( -1.633 -6.637 -1.600) 7.020 12.764 ( 0.746 -4.738 3.940) 6.208 12.864 ( 0.515 0.066 6.123) 6.145 13.784 ( 1.975 13.075 -11.483) 17.513 13.890 ( -2.387 -3.058 -3.031) 4.923 14.611 ( 3.902 -3.712 -7.341) 9.104 14.839 ( 3.838 2.474 -7.664) 8.922 15.118 ( 5.724 -0.969 -19.344) 20.196 15.384 ( 5.212 -3.604 -0.706) 6.376 15.665 ( -2.421 0.995 -4.933) 5.585 15.732 ( -2.058 1.395 -4.917) 5.510 16.001 ( 5.314 0.320 3.470) 6.354 16.058 ( 0.810 -0.295 -0.716) 1.121 16.362 ( -2.824 -3.912 5.855) 7.587 16.511 ( -2.017 3.251 4.014) 5.545 16.579 ( -5.338 3.773 1.213) 6.648 16.852 ( -2.738 -2.931 -6.465) 7.608 ======================= Grid point 85 (23/90) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -0.000 0.000 5.689) 5.689 1.978 ( -0.000 0.000 8.297) 8.297 2.024 ( 0.000 0.000 5.717) 5.717 2.140 ( 0.000 0.000 20.083) 20.083 3.166 ( 0.000 0.000 5.799) 5.799 3.278 ( 0.000 -0.000 1.971) 1.971 3.386 ( 0.000 -0.000 -8.772) 8.772 3.582 ( 0.000 -0.000 -3.778) 3.778 3.783 ( 0.000 0.000 -0.103) 0.103 3.929 ( -0.000 0.000 -12.716) 12.716 3.979 ( 0.000 -0.000 2.079) 2.079 4.099 ( 0.000 -0.000 7.449) 7.449 4.338 ( 0.000 0.000 4.758) 4.758 4.474 ( 0.000 0.000 -6.329) 6.329 4.628 ( 0.000 0.000 18.915) 18.915 4.953 ( 0.000 0.000 0.825) 0.825 4.956 ( 0.000 -0.000 4.712) 4.712 4.974 ( 0.000 -0.000 -2.913) 2.913 5.278 ( 0.000 0.000 -10.826) 10.826 5.457 ( -0.000 -0.000 -9.522) 9.522 5.546 ( 0.000 0.000 2.704) 2.704 5.585 ( 0.000 -0.000 -2.673) 2.673 6.498 ( 0.000 -0.000 -7.024) 7.024 6.864 ( 0.000 -0.000 -3.161) 3.161 8.421 ( 0.000 -0.000 5.150) 5.150 9.286 ( -0.000 0.000 16.008) 16.008 9.802 ( 0.000 -0.000 -3.002) 3.002 9.874 ( 0.000 -0.000 12.547) 12.547 9.900 ( 0.000 -0.000 2.521) 2.521 10.086 ( -0.000 -0.000 6.893) 6.893 10.302 ( 0.000 0.000 -0.361) 0.361 10.518 ( 0.000 0.000 1.703) 1.703 11.107 ( 0.000 -0.000 -10.219) 10.219 11.173 ( 0.000 0.000 0.793) 0.793 11.496 ( 0.000 0.000 -1.929) 1.929 12.105 ( 0.000 0.000 6.135) 6.135 12.190 ( 0.000 -0.000 10.418) 10.418 12.657 ( 0.000 0.000 -4.067) 4.067 12.789 ( 0.000 -0.000 7.133) 7.133 12.868 ( -0.000 0.000 5.015) 5.015 13.804 ( 0.000 0.000 -10.769) 10.769 13.866 ( 0.000 -0.000 -2.877) 2.877 14.648 ( 0.000 0.000 -6.392) 6.392 14.877 ( 0.000 0.000 -8.175) 8.175 15.158 ( 0.000 0.000 -11.447) 11.447 15.468 ( 0.000 0.000 -5.635) 5.635 15.616 ( 0.000 -0.000 -8.327) 8.327 15.715 ( 0.000 -0.000 -3.010) 3.010 16.063 ( -0.000 -0.000 4.644) 4.644 16.065 ( 0.000 0.000 -1.108) 1.108 16.334 ( 0.000 -0.000 9.098) 9.098 16.495 ( 0.000 -0.000 8.038) 8.038 16.509 ( 0.000 -0.000 -4.790) 4.790 16.833 ( 0.000 -0.000 -9.890) 9.890 ======================= Grid point 91 (24/90) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 20.636 6.143 16.889) 27.365 1.008 ( 13.645 15.868 21.072) 29.699 1.754 ( 22.298 28.789 34.063) 49.863 2.830 ( -9.460 -3.746 2.342) 10.441 3.009 ( -2.536 -10.342 3.328) 11.156 3.180 ( -5.538 3.438 -3.719) 7.504 3.333 ( 1.028 -4.276 -2.335) 4.980 3.367 ( 1.031 -2.378 1.622) 3.058 3.650 ( 6.100 9.466 1.033) 11.308 3.797 ( 2.179 5.700 2.526) 6.605 3.941 ( -1.775 -3.051 0.464) 3.560 4.295 ( -2.134 -3.507 -2.468) 4.790 4.360 ( 2.345 -1.364 -7.102) 7.603 4.689 ( -1.516 -4.913 -0.783) 5.201 4.763 ( -2.142 3.173 -2.653) 4.657 4.904 ( -1.464 -0.378 5.743) 5.938 4.975 ( 1.754 0.584 5.256) 5.571 5.092 ( 0.615 -1.004 -2.973) 3.198 5.346 ( 0.759 -1.088 -2.365) 2.712 5.420 ( 0.294 1.324 -1.501) 2.023 5.501 ( 1.592 1.844 -7.049) 7.458 5.584 ( 2.803 2.641 -5.902) 7.048 6.444 ( -0.933 -0.603 -6.677) 6.769 6.965 ( -1.746 -1.770 -3.798) 4.539 8.808 ( -8.199 -8.418 5.715) 13.067 9.566 ( -9.338 -2.805 9.634) 13.707 9.678 ( 3.609 -6.926 4.765) 9.149 9.794 ( -1.015 3.391 7.706) 8.480 9.912 ( -4.278 -1.841 13.481) 14.263 9.978 ( 7.317 4.614 0.115) 8.651 10.383 ( 3.075 0.859 3.280) 4.577 10.503 ( -0.527 -0.388 2.752) 2.828 11.085 ( 0.019 0.075 -12.403) 12.403 11.243 ( 7.806 3.959 0.436) 8.763 11.572 ( -3.915 -5.381 -3.852) 7.689 12.136 ( -6.684 -0.713 4.423) 8.047 12.291 ( 3.126 -1.827 7.626) 8.442 12.552 ( 5.633 6.784 4.144) 9.743 12.775 ( -8.720 1.005 0.267) 8.781 12.905 ( -7.637 5.646 7.476) 12.087 13.519 ( 11.611 -9.213 -15.196) 21.228 14.170 ( 7.093 -4.647 -3.051) 9.012 14.406 ( -0.902 22.897 -25.480) 34.268 14.537 ( 11.899 3.407 -13.952) 18.651 14.740 ( 7.109 7.344 -7.547) 12.705 15.365 ( -2.645 -2.242 5.659) 6.637 15.714 ( 0.407 1.372 -1.986) 2.447 15.754 ( 2.729 1.241 -1.646) 3.420 15.858 ( -0.256 -0.493 -3.593) 3.636 16.048 ( -0.469 -0.258 0.427) 0.685 16.461 ( -5.182 -1.550 0.163) 5.411 16.572 ( 4.512 -0.535 -6.704) 8.099 16.673 ( -2.049 -1.828 1.673) 3.216 17.146 ( -12.616 -11.577 12.595) 21.256 ======================= Grid point 92 (25/90) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 19.072 8.799 15.630) 26.182 1.395 ( 25.327 7.326 10.489) 28.375 2.254 ( 29.304 17.951 22.569) 41.114 2.566 ( -17.167 -1.876 3.399) 17.600 2.831 ( -15.137 -0.259 10.742) 18.563 3.177 ( 3.910 -6.226 -5.234) 9.025 3.306 ( -1.151 -0.860 0.932) 1.713 3.416 ( 2.604 -3.114 -2.817) 4.941 3.788 ( 5.792 -0.169 0.361) 5.806 3.844 ( 4.254 1.184 -4.792) 6.516 3.994 ( 4.364 1.256 0.706) 4.595 4.198 ( -6.501 0.114 -0.909) 6.565 4.361 ( -2.014 -2.969 -2.455) 4.347 4.656 ( -2.418 -1.561 2.114) 3.571 4.744 ( 0.151 -0.893 -0.866) 1.253 4.873 ( -2.163 1.439 5.221) 5.831 4.980 ( -0.271 1.058 2.589) 2.810 5.086 ( -1.249 2.000 -0.703) 2.461 5.370 ( 1.402 -1.921 -8.235) 8.571 5.442 ( 1.197 0.034 0.571) 1.326 5.497 ( -1.128 1.647 -3.790) 4.283 5.626 ( 0.949 3.772 -6.057) 7.198 6.431 ( -0.238 -2.375 -7.140) 7.529 6.923 ( -2.519 -1.230 -3.391) 4.400 8.633 ( -9.483 -4.075 5.807) 11.843 9.389 ( -8.255 -2.916 13.154) 15.802 9.722 ( 0.831 -8.757 3.558) 9.489 9.795 ( 0.619 0.993 7.356) 7.448 9.894 ( 1.389 0.844 10.019) 10.150 10.108 ( 5.675 6.208 1.008) 8.471 10.408 ( 0.286 5.324 -0.776) 5.388 10.491 ( -0.630 -0.341 1.820) 1.956 11.082 ( -0.271 -1.592 -11.675) 11.786 11.397 ( 7.579 4.069 0.372) 8.610 11.447 ( -8.883 -1.154 -1.846) 9.146 12.027 ( -4.188 -2.175 3.508) 5.880 12.323 ( 0.286 1.077 11.264) 11.319 12.555 ( -8.882 -7.409 -2.049) 11.746 12.674 ( 6.225 3.583 4.222) 8.331 12.873 ( 0.541 2.081 8.627) 8.891 13.646 ( 2.073 -13.456 -7.873) 15.728 14.228 ( -1.798 13.014 -5.401) 14.204 14.392 ( 3.328 -2.596 -12.835) 13.511 14.844 ( 14.537 4.216 -21.696) 26.454 14.869 ( 7.344 4.153 -11.375) 14.163 15.313 ( -2.371 -2.237 5.922) 6.760 15.710 ( -0.596 1.639 -3.293) 3.727 15.785 ( -0.539 -0.083 -4.216) 4.251 15.895 ( 4.673 -0.226 0.814) 4.749 16.046 ( 0.384 0.315 -0.264) 0.563 16.364 ( -4.835 -2.857 3.697) 6.723 16.607 ( -3.524 -0.006 2.192) 4.150 16.664 ( 3.494 -0.218 -6.118) 7.049 16.908 ( -11.384 -4.435 6.752) 13.959 ======================= Grid point 93 (26/90) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 19.609 6.843 11.820) 23.897 1.850 ( 22.353 10.012 7.313) 25.561 2.214 ( -19.439 -2.439 5.466) 20.340 2.506 ( -18.689 4.378 12.799) 23.071 2.794 ( 25.511 4.196 11.014) 28.102 3.202 ( -1.261 -6.997 0.025) 7.110 3.350 ( 4.255 -4.522 -5.637) 8.386 3.495 ( 6.834 1.046 -0.599) 6.940 3.768 ( -5.427 -4.589 -6.238) 9.456 3.957 ( -0.071 -4.279 3.117) 5.294 4.008 ( 1.631 3.226 -2.408) 4.344 4.163 ( 2.368 5.023 -0.593) 5.585 4.310 ( -2.282 -0.743 1.699) 2.940 4.602 ( -4.196 2.378 0.874) 4.901 4.703 ( -4.356 0.374 9.461) 10.422 4.862 ( 1.669 0.209 0.427) 1.736 4.979 ( -0.071 0.259 -0.777) 0.822 5.055 ( -1.774 3.338 2.930) 4.782 5.380 ( -2.412 3.766 -9.095) 10.135 5.425 ( 0.075 -1.882 -6.383) 6.655 5.503 ( 0.997 -1.723 -0.640) 2.091 5.629 ( -0.060 4.101 -2.417) 4.761 6.437 ( 0.710 -4.409 -7.370) 8.618 6.879 ( -1.861 -0.657 -2.951) 3.550 8.479 ( -6.265 -1.346 6.032) 8.800 9.278 ( -3.339 -2.950 13.650) 14.358 9.715 ( -1.160 -10.479 1.561) 10.658 9.815 ( 1.276 0.326 7.840) 7.950 9.928 ( 1.602 2.004 8.460) 8.841 10.166 ( 0.691 6.262 3.542) 7.228 10.405 ( -0.977 7.466 -2.624) 7.974 10.492 ( 1.069 -1.096 0.998) 1.827 11.077 ( -0.276 -2.947 -11.002) 11.393 11.272 ( -8.147 -1.252 -1.750) 8.426 11.508 ( 3.376 6.712 1.720) 7.708 11.987 ( -0.172 -5.113 3.883) 6.422 12.307 ( -1.746 3.779 12.873) 13.529 12.484 ( 1.778 -11.774 -3.411) 12.387 12.777 ( 4.034 3.392 5.227) 7.423 12.885 ( 0.585 2.060 6.468) 6.813 13.627 ( -3.484 -13.924 -6.093) 15.593 14.160 ( -4.013 15.127 -8.315) 17.722 14.497 ( 6.056 -6.688 -7.394) 11.665 14.935 ( 1.847 5.955 -7.440) 9.707 15.088 ( 8.037 -1.136 -19.577) 21.193 15.301 ( 2.259 -4.411 3.931) 6.326 15.687 ( -2.070 0.234 -6.180) 6.522 15.760 ( -1.446 1.658 -3.408) 4.056 15.998 ( 5.430 -0.505 3.395) 6.424 16.060 ( 0.915 0.708 -1.077) 1.581 16.292 ( -2.439 -3.332 6.057) 7.331 16.526 ( -4.598 -2.098 5.247) 7.285 16.660 ( -5.801 4.120 -0.884) 7.170 16.791 ( 0.783 -2.712 -7.993) 8.477 ======================= Grid point 94 (27/90) ======================= q-point: (-0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -18.045 -0.504 6.231) 19.097 2.006 ( 10.119 3.185 8.117) 13.358 2.123 ( -9.081 7.632 12.475) 17.214 2.273 ( 14.357 10.013 10.007) 20.162 3.081 ( 1.074 -7.945 2.786) 8.487 3.215 ( 4.677 -4.987 1.171) 6.936 3.398 ( 0.377 -2.357 -9.176) 9.482 3.584 ( -8.678 0.896 -2.329) 9.030 3.690 ( 7.231 -1.264 1.106) 7.423 3.926 ( 0.787 -3.487 3.146) 4.762 4.032 ( -1.483 -4.639 6.168) 7.859 4.154 ( -2.440 11.622 -6.948) 13.759 4.343 ( 2.836 1.223 5.383) 6.206 4.474 ( -5.420 0.420 -4.167) 6.849 4.676 ( 1.460 3.636 13.806) 14.351 4.897 ( 1.216 -1.075 -0.187) 1.634 4.969 ( -0.840 -0.751 -2.416) 2.666 5.027 ( -1.128 4.049 5.370) 6.820 5.314 ( -2.657 2.994 -9.828) 10.612 5.464 ( 2.728 0.050 -7.820) 8.283 5.507 ( -0.671 -2.736 -0.627) 2.886 5.629 ( -0.017 3.836 -1.494) 4.117 6.449 ( 0.392 -5.014 -7.370) 8.923 6.860 ( -0.050 -0.412 -2.776) 2.807 8.414 ( -0.413 -0.688 6.160) 6.212 9.264 ( 1.804 -2.069 14.052) 14.318 9.689 ( -1.533 -11.220 1.797) 11.466 9.834 ( 0.675 -0.642 8.783) 8.833 9.939 ( -0.533 2.880 5.467) 6.202 10.165 ( -0.175 5.919 3.685) 6.975 10.374 ( -1.726 6.604 -1.128) 6.918 10.509 ( -0.032 -0.898 1.899) 2.101 11.072 ( -0.177 -3.473 -11.417) 11.934 11.180 ( -1.029 -1.193 -1.822) 2.409 11.518 ( -1.917 3.912 0.533) 4.389 12.010 ( 2.245 -6.426 4.835) 8.349 12.273 ( -1.614 5.192 13.057) 14.144 12.611 ( 11.005 -4.729 -4.340) 12.740 12.812 ( -0.179 2.542 5.881) 6.409 12.896 ( 0.434 2.581 5.247) 5.863 13.526 ( -7.089 -17.528 -5.771) 19.768 14.097 ( -2.453 12.482 -7.388) 14.710 14.586 ( 3.089 -4.592 -6.402) 8.463 14.932 ( -2.095 3.988 -9.262) 10.299 15.147 ( 0.016 -0.567 -9.070) 9.087 15.400 ( 5.672 -5.211 -3.068) 8.291 15.632 ( -2.996 -0.323 -9.456) 9.924 15.743 ( -0.374 2.948 -1.831) 3.490 16.052 ( -0.606 -0.462 2.751) 2.854 16.075 ( 0.288 0.520 -0.015) 0.594 16.297 ( 3.594 -3.101 9.539) 10.655 16.446 ( -3.423 -4.564 6.282) 8.486 16.567 ( -2.560 4.836 -4.963) 7.388 16.832 ( 2.390 -0.349 -9.476) 9.779 ======================= Grid point 96 (28/90) ======================= q-point: (-0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -20.052 2.000 9.434) 22.251 1.714 ( -20.764 7.211 15.440) 26.861 2.383 ( 18.073 2.374 7.375) 19.664 2.577 ( 13.910 9.823 7.353) 18.549 2.971 ( -15.880 -0.894 6.341) 17.123 3.142 ( -9.980 1.849 4.095) 10.945 3.329 ( -3.146 -12.340 -8.023) 15.051 3.474 ( -2.148 0.504 -7.000) 7.339 3.817 ( 4.358 1.442 3.387) 5.704 3.929 ( -1.259 -9.494 8.675) 12.922 4.045 ( -0.071 0.325 2.226) 2.251 4.121 ( 0.503 8.425 -8.417) 11.920 4.276 ( -3.353 2.135 -2.764) 4.841 4.525 ( 4.780 -2.502 1.598) 5.626 4.750 ( 6.159 3.132 10.266) 12.375 4.890 ( -1.848 -1.155 1.387) 2.583 4.967 ( 0.928 -0.439 -1.260) 1.625 5.014 ( -0.238 4.223 4.315) 6.042 5.300 ( 1.055 0.906 -10.952) 11.040 5.478 ( -2.180 -2.817 1.174) 3.750 5.509 ( 1.594 1.640 -6.446) 6.839 5.629 ( 0.021 3.863 -3.687) 5.340 6.448 ( -0.370 -4.134 -7.262) 8.365 6.878 ( 1.838 -0.665 -2.991) 3.573 8.467 ( 5.925 -1.695 6.165) 8.717 9.338 ( 5.733 -0.833 14.134) 15.275 9.657 ( -1.805 -10.610 2.668) 11.088 9.841 ( 0.078 -1.986 11.106) 11.283 9.915 ( -1.727 2.517 3.722) 4.814 10.152 ( -1.747 6.518 1.153) 6.846 10.359 ( 0.275 6.161 1.600) 6.372 10.493 ( -1.090 -1.117 2.498) 2.945 11.072 ( 0.237 -3.091 -12.090) 12.481 11.224 ( 4.708 -0.210 -0.387) 4.729 11.461 ( -3.268 1.350 -2.504) 4.332 12.059 ( 2.693 -6.145 5.806) 8.873 12.254 ( -0.198 5.347 12.368) 13.476 12.753 ( -2.501 3.185 3.085) 5.091 12.865 ( 5.080 0.664 0.269) 5.130 12.914 ( 7.579 6.032 2.147) 9.921 13.366 ( -9.492 -24.457 -5.797) 26.867 14.072 ( -0.150 10.338 -6.070) 11.989 14.609 ( -0.532 -2.448 -6.186) 6.674 14.862 ( -5.117 3.467 -11.968) 13.470 15.120 ( -3.486 -0.200 -12.694) 13.165 15.406 ( -4.755 -1.347 -1.444) 5.149 15.642 ( 4.072 -1.987 -8.314) 9.468 15.742 ( 0.213 2.787 -1.580) 3.211 15.993 ( -5.058 -0.342 3.311) 6.055 16.063 ( -0.884 0.346 -1.339) 1.642 16.405 ( 6.215 -1.747 13.167) 14.664 16.415 ( 0.621 -4.792 2.675) 5.523 16.567 ( 2.082 2.856 -4.945) 6.078 16.878 ( 2.784 -0.414 -7.008) 7.552 ======================= Grid point 97 (29/90) ======================= q-point: (-0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -15.734 10.014 13.133) 22.810 1.335 ( -19.076 9.081 19.858) 28.995 2.391 ( -34.486 15.878 19.091) 42.495 2.696 ( 13.266 0.191 2.725) 13.545 2.811 ( 7.691 -1.016 7.723) 10.947 3.146 ( 7.675 -0.870 1.033) 7.793 3.261 ( -4.465 -9.971 -5.174) 12.089 3.426 ( -2.938 0.187 -5.273) 6.039 3.827 ( -7.389 4.619 -0.124) 8.715 3.891 ( 0.964 -10.430 5.658) 11.905 3.941 ( -7.303 5.063 1.443) 9.003 4.200 ( 5.839 1.757 -5.139) 7.974 4.300 ( 3.810 -0.168 -4.640) 6.006 4.600 ( 4.099 -2.487 2.030) 5.206 4.821 ( -1.800 -2.482 -4.173) 5.178 4.875 ( 2.423 1.123 9.947) 10.299 4.983 ( -0.097 2.064 4.063) 4.558 5.039 ( 3.394 2.643 -0.324) 4.314 5.332 ( 1.489 -0.843 -9.525) 9.678 5.437 ( -1.598 -0.876 1.821) 2.577 5.520 ( -0.287 1.536 -4.638) 4.894 5.623 ( -1.025 3.643 -6.293) 7.343 6.441 ( -0.262 -2.375 -7.082) 7.474 6.922 ( 2.574 -1.225 -3.419) 4.451 8.623 ( 10.034 -4.136 6.058) 12.430 9.465 ( 7.222 -2.110 14.689) 16.504 9.628 ( -0.798 -6.451 1.953) 6.787 9.836 ( -0.965 -2.284 12.581) 12.823 9.889 ( -0.443 0.226 5.903) 5.924 10.088 ( -5.117 7.041 -2.002) 8.931 10.375 ( 0.992 6.299 3.752) 7.398 10.488 ( 0.722 -0.888 2.736) 2.966 11.080 ( 0.493 -1.752 -11.908) 12.047 11.289 ( -0.067 4.691 1.485) 4.920 11.455 ( 4.429 -2.473 -5.980) 7.842 12.105 ( 2.241 -5.026 6.496) 8.513 12.265 ( 1.152 3.740 10.246) 10.968 12.668 ( -5.642 3.701 3.784) 7.736 12.840 ( -3.287 -1.347 3.578) 5.042 13.052 ( -5.453 -4.457 0.530) 7.062 13.297 ( 9.351 -10.646 -9.470) 17.042 14.095 ( 2.666 8.901 -4.850) 10.481 14.575 ( -2.875 -0.811 -6.711) 7.346 14.738 ( -8.904 3.973 -19.847) 22.113 14.959 ( -13.759 4.410 -18.365) 23.367 15.341 ( -0.605 -1.746 5.096) 5.421 15.712 ( 2.011 0.561 -4.183) 4.675 15.754 ( 1.188 0.831 -3.226) 3.537 15.894 ( -4.578 -0.008 1.207) 4.734 16.050 ( -0.470 0.122 -0.613) 0.782 16.432 ( 1.542 -6.469 3.984) 7.752 16.521 ( 4.766 4.486 1.002) 6.621 16.623 ( 3.303 -1.563 0.266) 3.664 16.961 ( 6.911 -3.959 2.238) 8.273 ======================= Grid point 101 (30/90) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 22.483 8.263 8.103) 25.287 1.577 ( 16.737 14.253 15.844) 27.098 2.587 ( -14.426 3.097 1.527) 14.834 2.695 ( 13.013 18.392 10.491) 24.853 2.738 ( -1.486 -4.065 14.576) 15.205 3.074 ( -4.710 -5.670 -5.669) 9.299 3.238 ( 3.574 -2.805 -0.246) 4.549 3.398 ( -0.120 1.271 -0.155) 1.287 3.749 ( -3.779 -2.268 1.480) 4.649 3.916 ( 3.101 3.550 -1.415) 4.921 4.030 ( 2.675 0.849 6.366) 6.957 4.205 ( -1.161 0.762 -2.428) 2.798 4.300 ( 0.992 -1.148 -4.935) 5.163 4.579 ( 0.767 -4.425 2.106) 4.960 4.779 ( -2.033 1.842 -3.349) 4.329 4.901 ( 1.459 1.699 7.700) 8.020 4.989 ( -0.740 -0.800 -0.152) 1.101 5.093 ( 1.900 -0.513 4.534) 4.943 5.337 ( 1.258 -1.328 -8.063) 8.267 5.430 ( 0.157 -0.838 -1.178) 1.454 5.522 ( -1.266 0.713 -3.749) 4.021 5.691 ( 2.771 2.540 -6.029) 7.105 6.382 ( -3.324 -2.504 -7.513) 8.589 6.892 ( -1.782 -1.846 -2.849) 3.834 8.531 ( -5.205 -6.080 7.196) 10.763 9.354 ( -8.002 -1.201 10.993) 13.650 9.544 ( -2.834 -8.913 5.249) 10.725 9.815 ( 0.272 0.976 11.471) 11.516 9.926 ( 2.809 2.422 4.827) 6.087 10.217 ( 5.713 4.739 -0.741) 7.459 10.457 ( 0.176 0.400 2.001) 2.048 10.491 ( 3.115 0.129 0.462) 3.151 11.039 ( -2.400 -2.704 -12.296) 12.817 11.293 ( -6.429 -8.761 -4.492) 11.759 11.511 ( 9.774 3.322 -1.464) 10.426 12.003 ( -4.782 -1.994 6.102) 8.004 12.334 ( 2.860 0.579 14.216) 14.512 12.579 ( -19.721 9.008 -5.242) 22.306 12.773 ( 4.272 5.649 3.367) 7.842 12.922 ( -0.182 2.957 8.557) 9.055 13.331 ( 2.608 -19.199 -4.754) 19.950 14.256 ( 8.391 -1.878 -5.462) 10.187 14.493 ( -6.044 6.176 -9.771) 13.044 14.879 ( 8.881 2.521 -18.012) 20.240 15.037 ( 3.869 8.513 -11.326) 14.687 15.292 ( -3.066 1.001 5.811) 6.646 15.684 ( -2.549 -4.620 -7.053) 8.808 15.800 ( 2.209 1.506 -0.397) 2.703 15.915 ( 2.751 2.850 1.978) 4.427 16.060 ( 0.973 0.999 -1.692) 2.193 16.318 ( -5.419 -2.022 5.562) 8.024 16.523 ( -3.722 -7.637 7.710) 11.473 16.662 ( 4.884 -0.371 -7.194) 8.703 16.855 ( -6.599 -1.217 -2.733) 7.245 ======================= Grid point 102 (31/90) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 17.641 11.049 9.123) 22.727 1.977 ( 23.819 5.328 7.116) 25.423 2.258 ( -18.528 7.030 3.384) 20.104 2.569 ( -13.037 1.409 13.398) 18.747 2.956 ( 9.678 9.025 4.115) 13.859 3.035 ( -0.952 -9.922 -1.561) 10.089 3.254 ( 1.153 -3.785 -3.973) 5.607 3.512 ( 9.520 -0.581 1.546) 9.662 3.689 ( -3.225 -2.614 0.582) 4.192 3.914 ( -3.131 -0.721 2.190) 3.889 4.021 ( -2.200 -1.704 3.262) 4.288 4.226 ( 3.660 2.700 4.833) 6.637 4.339 ( 2.617 3.861 -4.875) 6.747 4.604 ( 0.050 -2.147 0.469) 2.198 4.734 ( -2.491 3.668 0.642) 4.480 4.925 ( 1.148 4.270 3.421) 5.590 4.969 ( -1.077 -0.408 -0.626) 1.311 5.109 ( 0.126 2.555 5.953) 6.480 5.372 ( 1.916 -3.190 -4.358) 5.731 5.433 ( -0.549 0.670 -5.239) 5.311 5.480 ( -2.131 -0.087 -6.343) 6.692 5.718 ( 0.382 4.723 -3.257) 5.750 6.334 ( -1.506 -6.010 -8.136) 10.227 6.861 ( -1.348 -1.190 -2.260) 2.888 8.443 ( -3.818 -2.303 7.891) 9.063 9.233 ( -3.888 -1.594 10.444) 11.258 9.496 ( -2.460 -11.869 4.646) 12.981 9.831 ( 0.987 1.219 11.653) 11.758 9.978 ( 2.423 3.128 4.513) 6.002 10.273 ( 0.298 4.862 2.159) 5.328 10.461 ( 0.681 -2.204 1.541) 2.774 10.536 ( 1.136 5.891 -3.631) 7.013 10.997 ( -1.845 -5.548 -10.066) 11.641 11.151 ( -6.870 -9.294 -7.104) 13.566 11.681 ( 5.350 7.479 -0.625) 9.217 11.939 ( -2.418 0.930 5.837) 6.386 12.319 ( -3.994 -2.607 -2.168) 5.239 12.371 ( 1.505 1.833 15.554) 15.734 12.854 ( 3.184 4.071 2.983) 5.967 12.934 ( 0.856 2.765 6.142) 6.790 13.316 ( -4.141 -18.698 -3.326) 19.438 14.371 ( -3.598 2.396 -12.596) 13.317 14.419 ( 5.687 3.781 -4.135) 7.983 14.998 ( 2.495 1.396 -11.344) 11.699 15.134 ( 6.624 4.759 -11.915) 14.439 15.238 ( -1.883 -1.436 6.658) 7.067 15.629 ( -3.145 -5.974 -7.591) 10.159 15.820 ( 0.291 4.265 0.081) 4.275 15.993 ( 4.768 0.186 3.246) 5.771 16.080 ( 0.867 1.114 -2.387) 2.773 16.237 ( -2.944 -2.599 6.488) 7.584 16.435 ( -5.196 -6.702 6.685) 10.798 16.728 ( -3.403 2.827 -5.783) 7.281 16.759 ( 1.960 -0.985 -8.327) 8.611 ======================= Grid point 103 (32/90) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -16.792 11.494 4.569) 20.855 2.108 ( 9.935 7.370 6.464) 13.957 2.286 ( -10.351 9.474 15.931) 21.229 2.409 ( 19.537 3.628 4.015) 20.273 2.927 ( -7.987 -7.460 0.996) 10.974 3.104 ( 3.781 -6.057 -2.581) 7.592 3.313 ( 3.673 -5.491 -7.918) 10.312 3.574 ( -5.460 -6.435 -0.431) 8.450 3.724 ( 7.923 4.760 8.130) 12.310 3.849 ( -4.119 -1.333 5.736) 7.186 3.982 ( -0.130 -1.826 3.205) 3.691 4.278 ( 0.295 2.441 2.180) 3.286 4.411 ( 5.482 4.665 -1.848) 7.431 4.511 ( -8.789 3.201 -0.380) 9.362 4.730 ( 1.692 3.610 2.963) 4.968 4.933 ( -0.288 -1.999 -2.464) 3.186 4.962 ( 0.160 6.226 3.314) 7.055 5.105 ( -0.478 3.984 6.448) 7.594 5.359 ( -3.004 0.310 -6.399) 7.076 5.421 ( 0.370 -2.497 -3.040) 3.951 5.486 ( 1.853 -0.311 -7.882) 8.103 5.720 ( -0.026 5.354 -2.454) 5.890 6.325 ( 0.360 -7.630 -8.401) 11.354 6.848 ( -0.027 -0.918 -2.011) 2.210 8.400 ( -0.420 -0.653 8.084) 8.121 9.220 ( 2.349 -2.401 10.612) 11.131 9.454 ( -1.796 -12.597 4.783) 13.593 9.841 ( 0.035 1.164 11.792) 11.849 10.003 ( -0.164 3.671 3.718) 5.228 10.268 ( 0.135 4.780 2.096) 5.221 10.461 ( -0.694 -1.213 1.138) 1.802 10.532 ( -1.436 6.420 -1.447) 6.736 10.980 ( 0.054 -6.767 -8.698) 11.020 11.080 ( -0.155 -8.193 -9.606) 12.626 11.673 ( -4.544 10.530 0.221) 11.471 11.913 ( 0.474 -2.192 4.852) 5.345 12.352 ( 0.604 2.903 15.785) 16.062 12.496 ( 15.216 -6.746 -2.751) 16.870 12.869 ( -1.609 2.404 1.663) 3.337 12.951 ( 0.812 3.018 5.435) 6.269 13.187 ( -9.085 -17.499 -0.884) 19.737 14.291 ( -3.474 7.210 -10.242) 12.998 14.528 ( 4.015 -0.762 -6.087) 7.332 14.997 ( -1.965 3.359 -10.154) 10.874 15.159 ( -1.922 1.662 -2.321) 3.441 15.317 ( 7.002 -3.130 -2.051) 7.939 15.570 ( -2.776 -6.053 -8.767) 11.009 15.820 ( -0.140 4.971 0.046) 4.973 16.048 ( -0.226 -0.037 3.496) 3.504 16.087 ( -0.222 0.735 -2.303) 2.428 16.232 ( 3.163 -3.939 10.114) 11.305 16.348 ( -3.265 -5.209 3.472) 7.061 16.661 ( -2.004 4.720 -6.561) 8.327 16.813 ( 2.241 -1.700 -8.885) 9.319 ======================= Grid point 105 (33/90) ======================= q-point: (-0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -13.217 17.336 6.322) 22.697 1.894 ( -18.118 11.368 13.539) 25.314 2.454 ( 14.354 4.693 9.124) 17.644 2.738 ( 5.859 5.399 3.776) 8.817 2.762 ( -0.156 -14.350 1.596) 14.439 3.124 ( -3.383 -7.652 -5.927) 10.253 3.289 ( -7.631 5.982 0.019) 9.696 3.452 ( -4.873 -2.463 0.508) 5.484 3.743 ( -2.607 -5.661 7.683) 9.894 3.879 ( 6.113 2.062 4.885) 8.093 4.025 ( 2.184 -2.181 3.049) 4.338 4.242 ( -3.128 3.396 -1.439) 4.837 4.353 ( -6.399 4.534 -4.351) 8.969 4.507 ( 3.917 2.210 0.729) 4.556 4.773 ( 2.264 0.394 1.495) 2.742 4.934 ( -0.757 1.095 2.612) 2.931 4.957 ( 0.707 2.995 1.097) 3.267 5.095 ( -0.533 3.906 6.473) 7.579 5.325 ( -0.336 1.022 -9.210) 9.273 5.423 ( -0.025 -2.377 -0.975) 2.569 5.518 ( 1.101 -0.571 -5.658) 5.792 5.717 ( -0.448 4.818 -4.362) 6.515 6.343 ( 1.548 -6.493 -8.085) 10.484 6.861 ( 1.345 -1.137 -2.265) 2.869 8.432 ( 3.801 -1.787 7.911) 8.957 9.301 ( 5.015 -3.121 10.442) 11.997 9.441 ( 1.260 -10.865 5.615) 12.295 9.833 ( -0.842 0.794 11.765) 11.821 9.974 ( -2.423 3.480 3.452) 5.467 10.271 ( -0.830 5.547 0.418) 5.624 10.453 ( 0.198 -1.437 2.111) 2.561 10.500 ( -1.313 6.519 0.310) 6.657 10.995 ( 1.649 -5.105 -11.899) 13.053 11.143 ( 6.317 -7.824 -6.671) 12.068 11.580 ( -4.456 10.549 -0.780) 11.478 11.950 ( 2.950 -4.265 5.711) 7.714 12.346 ( -0.675 4.020 16.626) 17.118 12.748 ( -1.645 -17.062 -8.335) 19.061 12.828 ( 1.929 3.308 -0.262) 3.838 12.976 ( 1.782 -0.143 7.447) 7.659 13.035 ( 0.222 -4.236 2.202) 4.779 14.248 ( -1.006 7.988 -8.149) 11.455 14.558 ( -0.842 -2.631 -7.087) 7.606 14.940 ( -3.598 5.011 -12.461) 13.904 15.127 ( -1.946 0.903 -5.251) 5.673 15.357 ( -3.532 -3.191 0.414) 4.778 15.581 ( 4.816 -4.457 -8.848) 11.016 15.816 ( -0.358 4.537 0.029) 4.551 15.992 ( -4.567 0.356 3.091) 5.526 16.077 ( -0.710 1.037 -2.457) 2.760 16.291 ( 1.015 -6.053 8.375) 10.383 16.373 ( 6.981 -2.930 6.331) 9.869 16.651 ( 0.494 4.985 -6.842) 8.480 16.841 ( 0.849 -3.202 -7.768) 8.445 ======================= Grid point 111 (34/90) ======================= q-point: ( 0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 19.629 9.234 2.995) 21.898 2.133 ( 14.231 11.270 10.618) 21.030 2.441 ( -13.304 9.538 0.515) 16.378 2.535 ( -1.652 -4.378 14.680) 15.408 2.832 ( 2.684 -10.190 0.123) 10.538 3.038 ( -1.998 -0.426 -4.002) 4.493 3.236 ( -6.930 1.221 -5.274) 8.793 3.425 ( -2.665 -7.466 -0.049) 7.927 3.748 ( 4.974 7.249 9.690) 13.084 3.888 ( -1.374 -2.106 4.858) 5.471 3.974 ( -2.463 -2.902 4.185) 5.657 4.290 ( 2.099 3.035 2.114) 4.252 4.420 ( 3.905 4.946 0.335) 6.311 4.569 ( 1.470 -1.447 -1.575) 2.595 4.809 ( 3.552 3.643 -2.025) 5.476 4.900 ( -2.349 -2.870 -1.282) 3.924 5.055 ( 4.307 5.139 4.930) 8.323 5.150 ( 1.861 1.672 6.632) 7.088 5.309 ( -1.994 -2.854 -0.740) 3.559 5.426 ( 2.331 -0.521 -8.695) 9.017 5.489 ( -2.455 0.212 -7.515) 7.909 5.788 ( 2.420 2.418 -3.318) 4.765 6.231 ( -4.670 -4.371 -9.298) 11.286 6.840 ( -0.961 -0.975 -1.620) 2.121 8.405 ( -1.055 -1.406 8.977) 9.147 9.217 ( -4.798 -0.401 8.383) 9.667 9.299 ( -4.156 -8.092 6.772) 11.341 9.856 ( 1.234 1.205 12.986) 13.100 10.038 ( 3.064 2.980 3.420) 5.475 10.341 ( 1.257 1.910 1.605) 2.794 10.416 ( -1.212 -1.992 2.662) 3.539 10.619 ( 5.008 2.927 -2.737) 6.414 10.877 ( -6.809 -5.938 -3.458) 9.674 11.005 ( -5.397 -5.431 -16.583) 18.265 11.743 ( 3.073 0.871 -2.635) 4.141 11.979 ( 9.442 2.195 5.585) 11.188 12.381 ( -12.531 5.380 -2.245) 13.821 12.407 ( -1.626 2.880 16.761) 17.084 12.856 ( -2.076 -8.993 -3.942) 10.036 12.978 ( 1.036 1.783 5.944) 6.291 13.019 ( -0.354 -5.970 6.059) 8.514 14.349 ( 2.155 -0.729 -11.864) 12.080 14.534 ( 0.836 4.174 -6.544) 7.807 15.042 ( 4.668 3.285 -9.337) 10.943 15.159 ( 3.140 -0.528 0.811) 3.286 15.293 ( -3.718 4.840 -2.279) 6.514 15.492 ( -4.379 -7.688 -7.599) 11.663 15.893 ( 3.060 2.875 1.598) 4.492 16.013 ( 2.032 2.061 3.252) 4.353 16.094 ( 0.623 0.362 -2.795) 2.886 16.191 ( -4.399 -2.445 7.014) 8.632 16.312 ( -3.252 -5.317 4.077) 7.448 16.733 ( 3.480 -0.787 -7.794) 8.572 16.775 ( -3.236 1.235 -7.890) 8.617 ======================= Grid point 112 (35/90) ======================= q-point: (-0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -11.808 16.069 1.424) 19.991 2.256 ( 5.090 7.511 5.118) 10.417 2.421 ( 10.297 -0.136 3.719) 10.949 2.467 ( 0.138 7.550 16.714) 18.341 2.804 ( -6.204 -6.190 0.529) 8.780 3.011 ( 0.336 -2.888 -3.198) 4.322 3.216 ( 4.344 -4.282 -7.366) 9.564 3.358 ( -2.571 -13.610 -0.446) 13.857 3.838 ( 2.447 5.438 9.960) 11.609 3.858 ( -1.474 1.052 5.746) 6.025 3.937 ( -0.598 -2.928 3.942) 4.947 4.315 ( 0.252 1.762 2.462) 3.038 4.494 ( 1.272 4.413 0.116) 4.594 4.545 ( -1.607 0.527 2.008) 2.625 4.850 ( -0.748 6.436 -4.351) 7.804 4.874 ( 0.347 -1.922 -1.853) 2.693 5.099 ( 0.441 6.217 5.167) 8.096 5.166 ( -0.005 2.026 6.043) 6.374 5.286 ( -0.313 -5.055 2.217) 5.529 5.438 ( -2.057 2.047 -10.006) 10.418 5.474 ( 1.893 -0.956 -9.309) 9.547 5.809 ( 0.008 3.629 -2.719) 4.535 6.187 ( 0.091 -6.225 -9.930) 11.720 6.830 ( -0.004 -0.838 -1.362) 1.599 8.394 ( -0.110 -0.031 9.213) 9.213 9.182 ( 1.529 -1.522 8.358) 8.632 9.249 ( -1.385 -8.365 6.810) 10.875 9.868 ( -0.014 1.378 13.454) 13.524 10.072 ( -0.031 3.524 3.481) 4.954 10.340 ( 0.323 2.720 1.854) 3.308 10.410 ( -0.347 -3.400 2.465) 4.214 10.655 ( -1.046 5.719 -1.928) 6.126 10.813 ( 0.764 -9.026 0.149) 9.059 10.952 ( -0.065 -5.041 -21.637) 22.216 11.751 ( -0.294 -1.119 -1.099) 1.596 12.054 ( -5.395 15.103 2.389) 16.214 12.338 ( 10.038 -4.382 -1.637) 11.074 12.427 ( 1.226 0.297 17.864) 17.909 12.764 ( -4.704 -15.094 -3.529) 16.199 12.999 ( 0.570 1.897 5.472) 5.819 13.007 ( -1.117 -0.150 6.815) 6.908 14.351 ( -0.681 0.339 -12.908) 12.930 14.564 ( 0.808 3.218 -6.456) 7.259 15.084 ( -0.048 6.042 -7.521) 9.647 15.182 ( -3.003 0.403 5.480) 6.262 15.294 ( 5.338 0.460 -6.616) 8.513 15.427 ( -2.219 -8.475 -7.469) 11.512 15.920 ( -0.081 5.422 2.252) 5.871 16.050 ( -0.029 0.221 3.649) 3.655 16.096 ( -0.164 -0.124 -1.788) 1.800 16.147 ( 0.779 -4.734 6.472) 8.056 16.269 ( -0.670 -2.962 1.870) 3.566 16.733 ( -1.048 2.708 -7.642) 8.176 16.777 ( 1.112 -1.765 -8.296) 8.554 ======================= Grid point 125 (36/90) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 0.000 0.000 7.364) 7.364 2.400 ( 0.000 -0.000 -1.381) 1.381 2.400 ( 0.000 0.000 -1.381) 1.381 2.546 ( 0.000 -0.000 19.622) 19.622 2.711 ( -0.000 0.000 0.395) 0.395 3.021 ( -0.000 -0.000 4.769) 4.769 3.172 ( 0.000 0.000 -7.352) 7.352 3.172 ( 0.000 0.000 -7.352) 7.352 3.880 ( 0.000 -0.000 1.728) 1.728 3.892 ( -0.000 -0.000 9.351) 9.351 3.892 ( -0.000 0.000 9.351) 9.351 4.334 ( 0.000 -0.000 1.034) 1.034 4.548 ( 0.000 0.000 2.668) 2.668 4.548 ( 0.000 0.000 2.668) 2.668 4.825 ( 0.000 0.000 -1.025) 1.025 4.960 ( 0.000 0.000 -11.371) 11.371 5.157 ( 0.000 -0.000 7.437) 7.437 5.157 ( 0.000 0.000 7.437) 7.437 5.250 ( 0.000 0.000 5.418) 5.418 5.461 ( 0.000 0.000 -10.972) 10.972 5.461 ( 0.000 0.000 -10.972) 10.972 5.844 ( 0.000 0.000 -2.529) 2.529 6.123 ( 0.000 0.000 -10.845) 10.845 6.821 ( 0.000 0.000 -1.107) 1.107 8.395 ( 0.000 -0.000 9.413) 9.413 9.167 ( 0.000 0.000 7.650) 7.650 9.167 ( 0.000 0.000 7.650) 7.650 9.883 ( 0.000 0.000 14.104) 14.104 10.114 ( -0.000 0.000 3.963) 3.963 10.366 ( 0.000 0.000 1.875) 1.875 10.366 ( 0.000 0.000 1.875) 1.875 10.719 ( 0.000 -0.000 1.995) 1.995 10.719 ( 0.000 0.000 1.995) 1.995 10.896 ( 0.000 0.000 -27.868) 27.868 11.735 ( 0.000 0.000 -0.213) 0.213 12.288 ( 0.000 -0.000 -4.307) 4.307 12.288 ( 0.000 0.000 -4.307) 4.307 12.435 ( -0.000 0.000 21.628) 21.628 12.527 ( -0.000 0.000 3.254) 3.254 13.018 ( 0.000 0.000 5.475) 5.475 13.018 ( 0.000 0.000 5.475) 5.475 14.350 ( 0.000 0.000 -13.416) 13.416 14.599 ( 0.000 0.000 -7.194) 7.194 15.183 ( 0.000 0.000 -6.766) 6.766 15.183 ( 0.000 0.000 9.730) 9.730 15.304 ( 0.000 0.000 -8.284) 8.284 15.304 ( 0.000 0.000 -8.284) 8.284 16.003 ( -0.000 -0.000 5.859) 5.859 16.053 ( 0.000 0.000 3.792) 3.792 16.053 ( 0.000 0.000 3.792) 3.792 16.110 ( 0.000 0.000 -3.436) 3.436 16.240 ( 0.000 0.000 1.533) 1.533 16.759 ( 0.000 0.000 -7.990) 7.990 16.759 ( 0.000 0.000 -7.990) 7.990 ======================= Grid point 162 (37/90) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.000 0.000 26.119) 26.119 1.101 ( 0.000 0.000 26.119) 26.119 2.321 ( 0.000 0.000 52.374) 52.374 2.972 ( -0.000 0.000 -5.274) 5.274 2.972 ( 0.000 0.000 -5.274) 5.274 3.135 ( 0.000 0.000 7.966) 7.966 3.434 ( 0.000 0.000 0.170) 0.170 3.438 ( 0.000 -0.000 -1.607) 1.607 3.438 ( -0.000 0.000 -1.607) 1.607 4.060 ( 0.000 0.000 4.087) 4.087 4.060 ( 0.000 0.000 4.087) 4.087 4.091 ( 0.000 0.000 7.374) 7.374 4.337 ( 0.000 0.000 -1.785) 1.785 4.563 ( 0.000 0.000 -7.707) 7.707 4.823 ( 0.000 0.000 3.013) 3.013 4.943 ( -0.000 0.000 -11.851) 11.851 4.943 ( 0.000 0.000 -11.851) 11.851 5.027 ( 0.000 0.000 -4.146) 4.146 5.249 ( 0.000 0.000 2.877) 2.877 5.249 ( 0.000 0.000 2.877) 2.877 5.525 ( 0.000 0.000 -0.960) 0.960 5.560 ( 0.000 0.000 9.531) 9.531 6.315 ( 0.000 0.000 -7.699) 7.699 6.858 ( 0.000 0.000 -10.657) 10.657 9.209 ( 0.000 0.000 11.426) 11.426 9.566 ( 0.000 0.000 -4.940) 4.940 9.566 ( 0.000 0.000 -4.940) 4.940 9.942 ( 0.000 0.000 6.196) 6.196 9.942 ( -0.000 0.000 6.196) 6.196 10.439 ( 0.000 0.000 5.013) 5.013 10.439 ( -0.000 0.000 5.013) 5.013 10.581 ( -0.000 0.000 -1.757) 1.757 10.791 ( -0.000 0.000 -4.537) 4.537 11.507 ( -0.000 0.000 33.614) 33.614 11.619 ( 0.000 0.000 -3.700) 3.700 12.320 ( -0.000 0.000 1.914) 1.914 12.320 ( 0.000 0.000 1.914) 1.914 12.467 ( 0.000 0.000 8.481) 8.481 12.972 ( 0.000 0.000 2.909) 2.909 12.972 ( -0.000 0.000 2.909) 2.909 13.200 ( 0.000 0.000 14.072) 14.072 14.113 ( 0.000 0.000 -13.887) 13.887 14.114 ( 0.000 0.000 -2.864) 2.864 14.114 ( 0.000 0.000 -2.864) 2.864 14.407 ( 0.000 0.000 -13.031) 13.031 15.488 ( 0.000 0.000 -5.511) 5.511 15.645 ( 0.000 0.000 -3.061) 3.061 15.645 ( 0.000 0.000 -3.061) 3.061 15.788 ( 0.000 0.000 1.009) 1.009 16.089 ( 0.000 0.000 1.542) 1.542 16.354 ( -0.000 0.000 -10.375) 10.375 16.354 ( 0.000 0.000 -10.375) 10.375 16.779 ( 0.000 0.000 5.011) 5.011 17.474 ( 0.000 0.000 -4.595) 4.595 ======================= Grid point 163 (38/90) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 9.712 5.844 23.790) 26.353 1.286 ( 17.029 -4.505 22.359) 28.465 2.426 ( 11.219 -0.828 44.671) 46.066 2.903 ( -7.401 1.250 -2.244) 7.834 3.052 ( 6.904 0.052 -1.846) 7.147 3.070 ( -5.102 -3.324 1.701) 6.322 3.350 ( -4.078 4.659 0.870) 6.253 3.484 ( 0.585 -3.019 -1.703) 3.515 3.550 ( 8.917 0.842 0.199) 8.959 3.865 ( -8.149 1.176 9.182) 12.332 4.067 ( 0.571 -5.617 3.999) 6.919 4.236 ( 3.998 4.837 0.381) 6.287 4.317 ( -1.542 -0.528 -0.127) 1.635 4.573 ( 0.941 -0.014 -7.704) 7.761 4.802 ( -1.353 -0.266 1.474) 2.018 4.943 ( -0.000 0.385 -11.428) 11.435 4.956 ( 0.964 -0.166 -9.487) 9.538 5.018 ( -0.765 0.218 -4.125) 4.201 5.234 ( -1.627 -0.177 2.726) 3.179 5.301 ( 3.977 0.045 1.258) 4.172 5.525 ( 0.125 -0.006 -0.935) 0.944 5.559 ( -0.131 0.096 8.435) 8.436 6.311 ( -0.215 -0.088 -7.217) 7.220 6.844 ( -1.503 0.014 -10.334) 10.443 9.043 ( -12.878 0.137 8.350) 15.349 9.580 ( 1.213 -1.300 -4.163) 4.527 9.735 ( 12.114 1.363 0.127) 12.191 9.903 ( -3.271 -0.492 4.894) 5.907 9.952 ( 1.222 0.191 6.032) 6.158 10.351 ( -7.241 4.057 6.973) 10.840 10.410 ( -2.697 -3.805 4.110) 6.217 10.608 ( 1.347 -0.282 4.665) 4.864 10.809 ( 2.009 -0.140 -8.402) 8.640 11.485 ( -3.178 -1.046 20.554) 20.825 11.557 ( -4.211 3.648 4.278) 7.024 12.255 ( -3.845 -6.512 3.436) 8.306 12.397 ( 5.239 5.424 3.874) 8.478 12.582 ( 8.448 -1.772 6.954) 11.084 12.936 ( -3.522 -10.194 3.363) 11.298 12.965 ( -0.151 7.290 2.630) 7.751 13.301 ( 8.697 4.396 4.731) 10.832 13.964 ( -6.687 0.289 -6.934) 9.637 14.168 ( 5.850 -1.489 -4.624) 7.604 14.296 ( 10.313 -0.305 -10.439) 14.678 14.457 ( 4.966 0.491 -12.000) 12.996 15.438 ( -3.561 -0.022 -5.265) 6.356 15.643 ( -0.293 -0.254 -3.053) 3.077 15.725 ( 6.489 0.357 -1.688) 6.714 15.770 ( -1.583 -0.059 -0.298) 1.612 16.073 ( -1.278 0.018 1.008) 1.628 16.347 ( -0.640 -0.974 -9.798) 9.867 16.384 ( 2.828 0.982 -9.993) 10.432 16.747 ( -3.327 -0.021 4.468) 5.571 17.358 ( -11.355 -0.025 -1.469) 11.450 ======================= Grid point 164 (39/90) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 15.696 8.188 19.052) 26.007 1.641 ( 19.090 -2.835 18.715) 26.884 2.708 ( -11.921 -2.352 3.417) 12.623 2.721 ( 17.104 -2.586 23.648) 29.299 2.925 ( -8.453 -2.487 4.717) 9.994 3.229 ( 9.540 -0.866 3.195) 10.098 3.290 ( -1.949 5.529 0.121) 5.864 3.426 ( -4.243 1.194 1.533) 4.666 3.736 ( 8.452 -2.501 -3.020) 9.317 3.796 ( -0.625 0.379 3.103) 3.188 4.080 ( 1.379 -5.866 4.464) 7.499 4.208 ( -4.895 1.220 2.352) 5.566 4.317 ( 0.725 4.888 1.335) 5.119 4.580 ( -0.688 0.149 -5.857) 5.899 4.805 ( 1.908 -1.118 -1.772) 2.834 4.942 ( -0.136 0.622 -9.490) 9.511 4.965 ( -0.270 -0.157 -4.390) 4.401 5.002 ( -0.939 0.907 -5.991) 6.131 5.188 ( -3.262 1.509 2.608) 4.441 5.343 ( -0.069 -1.516 0.727) 1.683 5.530 ( 0.298 -0.104 -1.116) 1.160 5.563 ( 0.770 0.709 5.452) 5.552 6.317 ( 0.949 -0.403 -6.726) 6.804 6.807 ( -2.183 0.076 -9.519) 9.766 8.804 ( -11.745 0.506 7.830) 14.125 9.602 ( 0.980 -4.215 -0.305) 4.338 9.791 ( -4.029 3.652 6.203) 8.249 9.926 ( 2.003 -3.689 2.671) 4.975 10.043 ( 9.707 3.435 3.090) 10.751 10.215 ( -6.504 6.099 6.143) 10.827 10.354 ( -2.874 -4.740 2.953) 6.281 10.610 ( -0.997 -0.764 10.138) 10.216 10.862 ( 3.226 -0.842 -10.002) 10.543 11.375 ( -7.359 0.512 -4.887) 8.848 11.523 ( 0.299 5.954 22.320) 23.103 12.210 ( -0.933 -8.124 4.124) 9.159 12.457 ( 1.148 4.029 9.028) 9.952 12.704 ( 2.672 -4.560 4.158) 6.725 12.866 ( -2.228 -9.991 6.178) 11.957 12.975 ( 1.151 5.312 2.592) 6.022 13.448 ( 5.973 10.314 -6.723) 13.684 13.862 ( -4.207 0.055 -6.184) 7.480 14.309 ( 7.925 -4.636 -8.198) 12.309 14.495 ( 9.566 3.231 -13.746) 17.056 14.582 ( 8.642 -1.689 -10.709) 13.864 15.387 ( -1.601 -0.525 -5.518) 5.770 15.632 ( -0.891 0.142 -2.582) 2.735 15.714 ( -3.351 0.299 1.410) 3.647 15.878 ( 8.679 0.135 -2.565) 9.051 16.053 ( -0.747 0.072 0.340) 0.824 16.334 ( -0.622 -1.731 -8.361) 8.561 16.444 ( 3.209 1.934 -9.427) 10.145 16.663 ( -5.281 -0.178 2.899) 6.027 17.096 ( -15.345 -0.178 2.423) 15.536 ======================= Grid point 165 (40/90) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 17.718 7.748 14.446) 24.138 1.978 ( 16.400 -0.294 15.618) 22.649 2.441 ( -15.471 -4.006 7.292) 17.566 2.680 ( -12.671 -0.891 6.060) 14.074 3.110 ( 17.113 -7.904 10.268) 21.465 3.256 ( -1.001 5.507 -0.635) 5.634 3.309 ( -0.733 -1.267 3.416) 3.716 3.474 ( 6.836 6.404 1.639) 9.509 3.743 ( -1.930 -8.663 -4.556) 9.976 3.854 ( 1.256 3.425 3.022) 4.737 4.106 ( -3.202 -2.230 3.843) 5.477 4.163 ( 5.410 -2.372 4.947) 7.705 4.327 ( 0.586 6.093 2.964) 6.801 4.535 ( -4.508 -0.386 -2.259) 5.057 4.853 ( 2.251 -1.651 -5.135) 5.845 4.917 ( -2.921 -0.445 -3.452) 4.544 4.964 ( 1.301 1.198 -0.059) 1.769 4.989 ( -0.417 1.331 -11.361) 11.447 5.123 ( -3.123 3.188 3.865) 5.904 5.314 ( -2.156 -3.007 0.817) 3.789 5.535 ( 0.212 -0.192 -1.183) 1.217 5.583 ( 1.088 0.935 2.584) 2.956 6.340 ( 1.209 -0.431 -6.776) 6.897 6.770 ( -1.591 0.102 -8.637) 8.783 8.624 ( -6.847 0.505 8.070) 10.595 9.615 ( 0.429 -5.559 8.726) 10.355 9.724 ( -2.555 3.647 -1.326) 4.646 9.934 ( -0.482 -2.523 2.007) 3.259 10.102 ( -3.433 6.371 4.954) 8.770 10.233 ( 7.375 1.647 7.460) 10.619 10.311 ( -1.606 -2.277 0.505) 2.832 10.583 ( -1.613 -1.245 7.757) 8.020 10.912 ( 1.840 -0.705 -7.312) 7.573 11.243 ( -5.886 1.018 -3.354) 6.851 11.553 ( 2.316 4.066 16.898) 17.534 12.209 ( 0.468 -5.817 3.865) 6.999 12.456 ( -0.776 2.928 12.911) 13.262 12.665 ( -4.111 -8.246 2.484) 9.543 12.885 ( 2.262 0.135 4.904) 5.402 13.001 ( 1.378 0.903 6.662) 6.863 13.525 ( 2.445 7.401 -11.078) 13.546 13.802 ( -2.217 -0.287 -5.844) 6.257 14.434 ( 4.917 -4.318 -9.730) 11.726 14.611 ( 3.487 5.014 -13.589) 14.898 14.766 ( 8.566 -2.632 -13.605) 16.291 15.383 ( 1.163 -1.621 -7.570) 7.828 15.600 ( -2.850 1.938 2.320) 4.155 15.657 ( -1.980 -0.552 -2.115) 2.949 16.035 ( 4.415 -0.120 -1.363) 4.622 16.051 ( 3.396 0.400 0.943) 3.547 16.335 ( 1.158 -1.925 -7.043) 7.393 16.494 ( 1.210 2.622 -5.480) 6.195 16.566 ( -3.756 -0.325 -2.118) 4.324 16.819 ( -13.205 -0.620 2.988) 13.553 ======================= Grid point 166 (41/90) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 0.000 0.000 10.511) 10.511 2.181 ( 0.000 0.000 9.880) 9.880 2.195 ( 0.000 0.000 12.788) 12.788 2.502 ( 0.000 -0.000 12.010) 12.010 3.235 ( 0.000 -0.000 -5.173) 5.173 3.276 ( 0.000 -0.000 2.765) 2.765 3.363 ( 0.000 -0.000 6.708) 6.708 3.488 ( 0.000 0.000 -4.446) 4.446 3.758 ( -0.000 0.000 -3.027) 3.027 3.845 ( 0.000 0.000 6.627) 6.627 4.063 ( 0.000 -0.000 6.528) 6.528 4.246 ( 0.000 -0.000 7.298) 7.298 4.362 ( 0.000 0.000 -4.041) 4.041 4.438 ( 0.000 0.000 4.759) 4.759 4.874 ( 0.000 -0.000 -5.499) 5.499 4.880 ( 0.000 -0.000 -3.115) 3.115 4.984 ( 0.000 0.000 -12.545) 12.545 4.990 ( 0.000 0.000 1.227) 1.227 5.088 ( 0.000 -0.000 4.583) 4.583 5.289 ( 0.000 0.000 0.593) 0.593 5.537 ( 0.000 -0.000 -1.150) 1.150 5.595 ( 0.000 0.000 1.596) 1.596 6.353 ( 0.000 -0.000 -6.883) 6.883 6.754 ( 0.000 -0.000 -8.245) 8.245 8.558 ( 0.000 -0.000 8.194) 8.194 9.619 ( -0.000 0.000 15.881) 15.881 9.700 ( 0.000 -0.000 -7.405) 7.405 9.925 ( 0.000 -0.000 -0.776) 0.776 10.069 ( -0.000 0.000 6.622) 6.622 10.292 ( 0.000 0.000 -0.982) 0.982 10.315 ( -0.000 -0.000 12.084) 12.084 10.563 ( 0.000 0.000 3.039) 3.039 10.929 ( 0.000 -0.000 -6.136) 6.136 11.183 ( 0.000 -0.000 -1.150) 1.150 11.581 ( 0.000 0.000 14.240) 14.240 12.216 ( 0.000 0.000 3.257) 3.257 12.446 ( 0.000 -0.000 14.478) 14.478 12.619 ( 0.000 -0.000 3.116) 3.116 12.908 ( 0.000 -0.000 2.009) 2.009 13.016 ( 0.000 0.000 9.653) 9.653 13.547 ( 0.000 0.000 -12.224) 12.224 13.781 ( 0.000 -0.000 -5.677) 5.677 14.482 ( -0.000 0.000 -10.049) 10.049 14.643 ( 0.000 -0.000 -13.463) 13.463 14.851 ( 0.000 0.000 -14.493) 14.493 15.406 ( 0.000 -0.000 -11.942) 11.942 15.557 ( 0.000 0.000 8.527) 8.527 15.641 ( 0.000 0.000 -4.309) 4.309 16.042 ( 0.000 0.000 -1.075) 1.075 16.130 ( 0.000 -0.000 1.512) 1.512 16.375 ( 0.000 -0.000 -8.739) 8.739 16.452 ( -0.000 0.000 4.872) 4.872 16.577 ( 0.000 -0.000 -14.151) 14.151 16.657 ( -0.000 -0.000 6.059) 6.059 ======================= Grid point 172 (42/90) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 13.137 3.317 21.577) 25.478 1.427 ( 10.261 15.964 21.124) 28.396 2.529 ( 9.206 11.856 36.133) 39.127 2.876 ( -5.641 -5.817 1.778) 8.296 3.023 ( 2.124 1.311 1.680) 3.009 3.098 ( -3.556 3.181 -2.446) 5.362 3.323 ( 2.767 -7.751 1.023) 8.294 3.432 ( -4.158 -1.650 2.137) 4.958 3.637 ( 5.880 7.054 -1.198) 9.261 3.880 ( 2.106 -0.767 5.790) 6.209 4.006 ( -7.437 2.170 6.389) 10.042 4.273 ( 3.756 -3.227 1.053) 5.062 4.299 ( -0.891 -0.250 -1.051) 1.400 4.582 ( 0.915 0.858 -7.109) 7.219 4.777 ( -2.316 -1.566 1.153) 3.024 4.947 ( 0.731 -0.778 -10.397) 10.452 4.955 ( -0.133 0.753 -7.709) 7.746 5.027 ( 0.929 0.598 -6.090) 6.189 5.221 ( -0.991 -1.339 2.369) 2.896 5.353 ( 3.615 4.077 0.352) 5.460 5.509 ( -1.142 -1.242 1.493) 2.253 5.574 ( 1.324 1.036 5.264) 5.526 6.301 ( -0.973 -0.672 -7.014) 7.113 6.831 ( -1.217 -1.266 -9.974) 10.127 8.948 ( -8.340 -8.767 7.721) 14.354 9.606 ( -0.875 3.171 -1.487) 3.610 9.789 ( 5.213 0.387 4.593) 6.958 9.880 ( -0.232 2.138 0.937) 2.346 9.970 ( 2.055 1.246 4.784) 5.354 10.250 ( -4.872 -8.974 9.772) 14.134 10.437 ( -1.095 2.057 0.458) 2.375 10.613 ( -0.425 0.277 7.611) 7.628 10.826 ( 1.321 1.900 -9.552) 9.828 11.454 ( -5.055 -3.174 5.955) 8.431 11.537 ( 3.568 -5.284 15.148) 16.435 12.219 ( -7.887 2.658 3.161) 8.903 12.443 ( 6.841 0.800 6.269) 9.314 12.654 ( 4.120 7.964 5.537) 10.539 12.784 ( -9.675 -4.862 3.443) 11.362 13.066 ( 0.948 3.612 5.078) 6.303 13.333 ( 8.833 -3.009 0.835) 9.368 14.009 ( 3.085 -1.179 -11.795) 12.249 14.151 ( -0.995 7.140 -4.462) 8.478 14.337 ( 4.973 3.851 -9.587) 11.466 14.546 ( 7.696 7.402 -11.353) 15.586 15.405 ( -2.692 -2.490 -5.179) 6.346 15.668 ( 0.606 1.035 -2.218) 2.521 15.749 ( 1.045 -0.209 3.023) 3.205 15.762 ( 2.064 2.626 -5.561) 6.488 16.059 ( -1.161 -1.207 0.485) 1.743 16.356 ( -1.600 1.501 -8.798) 9.067 16.396 ( 3.483 0.310 -10.002) 10.595 16.717 ( -3.029 -2.943 3.822) 5.695 17.259 ( -9.855 -9.759 0.445) 13.877 ======================= Grid point 173 (43/90) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 17.509 2.726 16.989) 24.549 1.678 ( 17.384 10.322 16.930) 26.370 2.655 ( -12.945 -1.504 6.221) 14.440 2.757 ( 11.399 4.916 18.586) 22.350 2.946 ( -8.948 3.710 -3.690) 10.366 3.189 ( 9.257 -2.980 14.339) 17.326 3.332 ( -1.990 -2.013 1.780) 3.344 3.389 ( 0.260 -2.751 0.525) 2.812 3.729 ( 1.747 2.393 -4.576) 5.451 3.867 ( 0.754 4.502 6.888) 8.263 4.008 ( 5.060 -0.615 1.580) 5.336 4.200 ( -5.928 -1.320 1.892) 6.361 4.360 ( 2.392 -0.610 1.043) 2.680 4.596 ( 0.005 1.515 -5.457) 5.664 4.751 ( 0.108 -3.679 -0.775) 3.762 4.948 ( -0.456 -0.365 -4.619) 4.656 4.961 ( 0.214 0.356 -7.526) 7.538 5.040 ( 0.280 2.683 -7.786) 8.240 5.213 ( 0.340 0.404 2.832) 2.881 5.370 ( -2.511 3.450 -1.312) 4.465 5.497 ( -0.065 -2.328 1.598) 2.825 5.604 ( 1.722 2.548 3.081) 4.353 6.284 ( -0.499 -2.735 -6.837) 7.380 6.802 ( -1.723 -0.598 -9.060) 9.241 8.778 ( -9.024 -3.208 8.221) 12.622 9.558 ( -3.193 -0.492 2.817) 4.287 9.773 ( -3.299 -5.483 2.145) 6.748 9.932 ( 1.404 4.406 6.742) 8.175 10.090 ( 9.830 1.198 2.668) 10.256 10.188 ( -1.596 -5.981 7.751) 9.920 10.388 ( -3.497 5.753 -1.615) 6.923 10.591 ( -1.748 -1.087 9.368) 9.591 10.850 ( 1.239 -0.440 -9.490) 9.580 11.347 ( -6.393 -3.826 -3.973) 8.444 11.623 ( 4.595 1.589 19.558) 20.153 12.089 ( -4.998 -0.900 1.665) 5.344 12.508 ( -1.258 -4.028 5.333) 6.801 12.591 ( -4.091 -0.417 7.482) 8.537 12.800 ( 6.528 1.516 8.613) 10.913 13.052 ( -1.210 3.279 7.139) 7.949 13.471 ( 3.811 -6.852 -6.320) 10.070 14.000 ( -3.132 10.182 -14.257) 17.797 14.210 ( 6.226 -3.744 -5.700) 9.235 14.505 ( 11.727 1.888 -12.038) 16.912 14.684 ( 6.471 8.053 -10.252) 14.554 15.358 ( -2.064 -1.960 -5.036) 5.785 15.659 ( -1.295 0.791 0.075) 1.520 15.717 ( -2.157 1.140 -1.904) 3.095 15.883 ( 7.990 0.587 -2.111) 8.284 16.042 ( -0.519 -0.970 -0.175) 1.114 16.325 ( -1.436 0.461 -6.167) 6.348 16.468 ( 3.872 0.649 -10.943) 11.626 16.641 ( -4.878 -2.029 2.216) 5.729 17.025 ( -14.081 -6.963 2.998) 15.992 ======================= Grid point 174 (44/90) ======================= q-point: ( 0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 14.588 5.511 13.639) 20.717 2.046 ( 19.401 6.182 11.924) 23.597 2.359 ( -16.409 -3.196 8.676) 18.834 2.727 ( -12.838 4.705 5.478) 14.730 3.009 ( 11.533 -2.557 4.333) 12.582 3.243 ( -1.166 -5.132 7.830) 9.434 3.297 ( -1.146 -2.384 0.669) 2.728 3.538 ( 13.077 2.562 7.198) 15.145 3.671 ( -5.852 1.316 -3.278) 6.835 3.958 ( 4.874 4.433 -0.246) 6.593 4.038 ( -2.341 -2.866 4.584) 5.891 4.154 ( 2.193 0.975 1.908) 3.066 4.393 ( 2.039 1.645 4.339) 5.069 4.562 ( -4.198 3.080 -3.124) 6.072 4.777 ( 2.114 -5.445 -2.920) 6.530 4.930 ( -1.662 0.506 -3.874) 4.246 4.954 ( -0.689 -0.016 -1.568) 1.712 5.037 ( -0.577 3.773 -9.684) 10.409 5.230 ( -0.172 5.598 2.087) 5.977 5.286 ( -3.599 0.026 -0.474) 3.630 5.501 ( 0.311 -2.617 0.795) 2.753 5.628 ( 0.584 2.990 1.412) 3.358 6.285 ( 0.458 -5.055 -7.059) 8.694 6.773 ( -1.282 0.091 -8.116) 8.217 8.632 ( -5.990 0.133 8.767) 10.619 9.516 ( -0.779 -4.260 7.185) 8.389 9.722 ( -1.818 -5.050 -0.775) 5.423 9.944 ( 0.201 4.673 6.657) 8.136 10.135 ( -2.485 -2.887 6.120) 7.209 10.264 ( 4.298 2.526 6.103) 7.880 10.344 ( 0.342 4.335 -2.910) 5.233 10.554 ( -1.694 -1.586 6.495) 6.897 10.872 ( 1.003 -2.932 -7.374) 7.998 11.223 ( -6.046 -3.655 -3.257) 7.779 11.677 ( 0.439 7.609 16.389) 18.075 12.053 ( 1.091 -7.476 1.398) 7.683 12.466 ( 0.413 -10.699 3.666) 11.317 12.572 ( -0.444 6.455 12.540) 14.111 12.901 ( 3.035 1.461 6.082) 6.953 13.036 ( -0.100 2.357 7.499) 7.861 13.480 ( -2.249 -8.335 -6.484) 10.797 13.940 ( -2.776 9.710 -12.581) 16.133 14.332 ( 6.058 -4.883 -8.452) 11.488 14.681 ( 4.418 2.213 -14.862) 15.662 14.806 ( 7.277 6.389 -9.751) 13.743 15.338 ( 0.240 -2.874 -5.502) 6.212 15.615 ( -3.421 -1.188 2.738) 4.540 15.688 ( -0.707 4.103 -4.225) 5.932 16.025 ( 3.200 -0.673 -1.405) 3.559 16.050 ( 4.403 -0.497 0.314) 4.442 16.316 ( 1.085 -0.364 -3.432) 3.617 16.530 ( 0.543 1.203 -7.721) 7.833 16.551 ( -2.373 -1.212 -4.498) 5.228 16.763 ( -12.898 -5.102 4.039) 14.446 ======================= Grid point 175 (45/90) ======================= q-point: (-0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -13.621 -1.307 10.529) 17.266 2.204 ( 5.648 1.501 11.407) 12.817 2.322 ( 4.939 10.497 9.308) 14.873 2.540 ( 1.301 2.749 10.431) 10.865 3.115 ( -0.375 -8.659 -0.595) 8.688 3.271 ( 1.412 -6.733 4.758) 8.365 3.295 ( 3.080 -2.506 -0.481) 4.000 3.528 ( -9.462 4.579 -1.708) 10.650 3.755 ( 8.578 3.037 4.608) 10.200 3.983 ( 1.231 5.898 1.990) 6.345 4.058 ( 1.280 -0.789 1.589) 2.188 4.173 ( -0.555 -3.122 6.323) 7.073 4.417 ( -9.281 4.617 -0.706) 10.390 4.475 ( 5.033 3.225 5.955) 8.438 4.813 ( 1.422 -5.498 -3.750) 6.805 4.904 ( -0.127 1.381 -1.311) 1.908 4.940 ( -0.874 -0.975 -2.664) 2.968 5.018 ( -1.468 3.110 -11.282) 11.795 5.158 ( -3.478 4.213 0.007) 5.463 5.322 ( 3.964 2.848 2.496) 5.482 5.503 ( -0.132 -2.877 0.337) 2.899 5.625 ( -0.716 2.707 0.597) 2.863 6.295 ( 0.381 -5.876 -7.313) 9.389 6.759 ( -0.080 0.385 -7.728) 7.738 8.568 ( -0.511 0.919 8.760) 8.823 9.535 ( 2.670 -5.464 9.604) 11.368 9.710 ( 0.394 -4.168 0.267) 4.195 9.942 ( -0.311 4.858 4.014) 6.309 10.078 ( -3.057 0.154 3.564) 4.698 10.283 ( -1.262 -0.143 6.556) 6.677 10.355 ( -0.406 3.192 -0.123) 3.220 10.558 ( 1.975 -0.755 3.116) 3.765 10.884 ( 0.271 -3.946 -4.367) 5.892 11.152 ( -0.895 -3.882 -2.085) 4.497 11.637 ( -4.178 5.542 13.455) 15.140 12.106 ( 3.847 -8.058 3.523) 9.599 12.553 ( 1.461 5.043 8.358) 9.870 12.562 ( 6.333 -2.818 7.407) 10.145 12.898 ( -2.724 -1.080 0.142) 2.933 13.050 ( 0.767 3.064 10.057) 10.541 13.407 ( -5.074 -10.147 -3.919) 12.002 13.903 ( -1.109 8.097 -11.568) 14.163 14.421 ( 3.211 -4.054 -9.559) 10.868 14.683 ( -3.204 3.096 -13.491) 14.208 14.901 ( 1.460 4.778 -12.047) 13.042 15.375 ( 3.116 -3.037 -9.562) 10.506 15.546 ( -3.044 -1.307 5.946) 6.806 15.687 ( 0.488 4.423 -3.415) 5.610 16.033 ( -0.057 -0.735 -1.687) 1.841 16.122 ( -0.343 -0.782 1.375) 1.618 16.381 ( 4.371 -0.087 -4.304) 6.135 16.458 ( -3.213 1.000 -0.380) 3.386 16.544 ( -4.193 -3.631 -6.449) 8.506 16.638 ( 3.372 -1.772 -1.066) 3.955 ======================= Grid point 177 (46/90) ======================= q-point: (-0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -16.048 0.547 14.508) 21.640 2.043 ( -15.788 5.880 16.478) 23.566 2.499 ( 12.369 3.322 4.055) 13.434 2.752 ( 13.323 4.891 6.248) 15.507 3.075 ( -3.038 -11.435 2.744) 12.146 3.274 ( -4.666 -5.770 4.986) 8.940 3.316 ( -7.333 6.149 9.796) 13.695 3.333 ( -1.694 -0.261 -4.709) 5.011 3.858 ( 1.342 2.847 1.499) 3.486 3.951 ( -4.258 11.725 -2.643) 12.751 4.086 ( 1.648 -5.749 5.766) 8.307 4.174 ( 1.378 -5.396 6.671) 8.690 4.247 ( -5.869 4.228 1.257) 7.342 4.567 ( 2.979 2.465 1.334) 4.090 4.815 ( -1.615 -5.054 -1.223) 5.445 4.923 ( 0.054 -1.501 -3.249) 3.580 4.953 ( 4.430 3.297 -5.372) 7.704 4.989 ( -1.263 1.476 -11.845) 12.004 5.135 ( 0.774 2.820 2.234) 3.680 5.388 ( 2.580 4.019 1.983) 5.171 5.496 ( -0.559 -3.286 0.453) 3.364 5.607 ( -0.982 2.682 0.853) 2.981 6.297 ( -0.128 -4.861 -7.180) 8.672 6.770 ( 1.232 0.097 -8.161) 8.254 8.617 ( 5.584 -0.286 8.286) 9.996 9.609 ( 4.944 -4.982 10.216) 12.394 9.715 ( -0.686 -1.230 3.457) 3.733 9.954 ( 2.260 1.154 2.054) 3.265 10.031 ( -1.971 0.575 2.371) 3.137 10.194 ( -6.842 -1.403 2.053) 7.280 10.387 ( 3.181 4.482 0.479) 5.517 10.592 ( 1.211 -0.541 7.641) 7.755 10.884 ( -0.270 -3.316 -4.066) 5.253 11.194 ( 5.069 -4.407 -3.676) 7.657 11.547 ( -4.602 3.306 14.446) 15.517 12.182 ( 3.900 -6.142 5.470) 9.102 12.529 ( -1.467 8.270 14.252) 16.543 12.755 ( 9.091 0.868 -0.845) 9.171 12.826 ( -3.785 -7.190 -4.405) 9.243 13.044 ( -1.003 5.093 8.659) 10.095 13.307 ( -5.006 -10.894 2.171) 12.184 13.901 ( 0.973 6.779 -10.912) 12.883 14.447 ( -0.560 -3.043 -9.751) 10.230 14.576 ( -8.036 2.759 -13.297) 15.779 14.857 ( -5.785 5.840 -12.313) 14.805 15.391 ( -1.534 -0.865 -9.904) 10.059 15.557 ( 4.226 -2.562 5.090) 7.094 15.702 ( 1.007 4.100 -1.841) 4.606 16.028 ( -3.576 -0.718 -1.939) 4.130 16.038 ( -4.056 -0.736 0.574) 4.162 16.384 ( -0.748 2.283 -9.815) 10.105 16.438 ( -1.572 -2.450 -1.957) 3.508 16.559 ( 4.490 -1.143 -0.180) 4.637 16.785 ( 11.430 -4.031 0.233) 12.122 ======================= Grid point 178 (47/90) ======================= q-point: (-0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -11.350 6.189 18.521) 22.586 1.736 ( -16.467 7.293 19.495) 26.541 2.699 ( 6.870 0.332 1.574) 7.056 2.848 ( -10.726 3.109 10.721) 15.481 3.008 ( 1.754 5.634 17.694) 18.652 3.146 ( 1.040 -7.317 -1.775) 7.600 3.242 ( -4.017 0.661 2.604) 4.833 3.366 ( 4.066 -2.778 2.509) 5.527 3.782 ( -7.079 2.911 -0.326) 7.661 3.894 ( -2.577 8.390 -3.342) 9.392 4.073 ( -3.079 -10.092 8.850) 13.771 4.203 ( 2.971 3.391 4.882) 6.645 4.255 ( 3.746 -0.411 -0.845) 3.862 4.591 ( 0.166 1.228 -3.753) 3.952 4.775 ( -1.577 -3.638 -0.144) 3.968 4.930 ( 0.749 -0.065 -7.535) 7.573 4.971 ( -0.827 0.438 -8.842) 8.892 5.024 ( 1.719 2.739 -7.112) 7.812 5.176 ( 3.059 0.383 2.908) 4.238 5.406 ( -0.957 3.697 0.918) 3.927 5.491 ( 0.361 -2.731 1.556) 3.164 5.591 ( -0.813 2.514 2.355) 3.539 6.294 ( 0.001 -2.753 -6.906) 7.434 6.801 ( 1.818 -0.580 -9.103) 9.301 8.765 ( 9.649 -3.229 7.660) 12.735 9.672 ( -3.275 -0.878 2.298) 4.096 9.713 ( 5.593 -2.724 10.059) 11.827 9.987 ( -3.294 -0.672 2.362) 4.108 9.994 ( -2.102 3.095 -0.434) 3.767 10.113 ( 2.902 -2.715 4.454) 5.969 10.440 ( 1.707 3.420 0.881) 3.923 10.608 ( 0.679 -1.217 9.867) 9.965 10.866 ( -1.813 -0.835 -7.557) 7.816 11.326 ( 8.473 -4.420 -4.241) 10.455 11.491 ( -0.825 3.034 18.924) 19.183 12.239 ( 1.587 -4.711 6.066) 7.843 12.490 ( -3.055 6.533 10.404) 12.659 12.741 ( -2.326 -3.566 2.267) 4.824 12.815 ( -5.142 -7.249 -3.482) 9.545 13.080 ( 3.448 8.014 2.021) 8.955 13.255 ( 1.235 -5.094 7.537) 9.180 13.942 ( 3.358 6.051 -10.611) 12.668 14.374 ( -11.526 -3.992 -12.591) 17.530 14.413 ( -4.436 4.469 -8.977) 10.965 14.707 ( -9.185 7.969 -11.449) 16.702 15.374 ( 0.408 -1.582 -5.929) 6.150 15.641 ( 3.628 -0.465 -0.197) 3.663 15.723 ( 1.249 2.280 0.346) 2.623 15.878 ( -7.918 0.444 -2.887) 8.440 16.040 ( 0.671 -0.984 -0.400) 1.256 16.379 ( -0.391 0.626 -9.579) 9.608 16.408 ( -1.353 0.332 -6.450) 6.598 16.645 ( 4.452 -1.986 1.901) 5.232 17.030 ( 13.593 -6.870 2.342) 15.409 ======================= Grid point 182 (48/90) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 17.568 5.254 13.830) 22.968 1.914 ( 11.618 13.783 17.034) 24.801 2.632 ( -11.508 -1.056 2.801) 11.891 2.847 ( 3.315 1.269 3.471) 4.965 2.975 ( -5.941 -3.331 -3.257) 7.550 3.148 ( 1.126 -1.022 20.077) 20.134 3.278 ( -0.506 -0.030 4.147) 4.178 3.389 ( 8.459 3.080 3.918) 9.818 3.802 ( -2.766 5.110 0.907) 5.880 3.929 ( -1.702 2.001 4.669) 5.357 4.058 ( 7.692 4.777 -2.974) 9.531 4.165 ( -4.322 -2.472 2.159) 5.427 4.323 ( 4.709 -1.916 4.409) 6.729 4.619 ( 1.548 0.260 -0.650) 1.699 4.712 ( -2.391 0.338 -1.686) 2.945 4.926 ( -0.743 -1.527 -3.797) 4.160 4.986 ( 1.052 1.775 -11.711) 11.891 5.081 ( 2.901 0.714 -7.335) 7.920 5.203 ( 2.391 -0.963 4.015) 4.771 5.418 ( -3.143 0.740 -2.605) 4.149 5.460 ( -0.263 -0.994 4.343) 4.464 5.646 ( 2.971 1.842 0.984) 3.632 6.226 ( -3.971 -3.237 -7.282) 8.903 6.786 ( -0.888 -0.992 -8.105) 8.214 8.695 ( -3.977 -5.030 8.622) 10.745 9.565 ( -7.085 0.287 9.597) 11.933 9.655 ( -4.214 -6.186 4.366) 8.665 10.018 ( 1.949 3.382 6.454) 7.543 10.065 ( 2.825 -1.994 6.839) 7.664 10.141 ( 6.654 0.984 -6.883) 9.624 10.470 ( -0.552 2.228 -1.434) 2.706 10.569 ( -2.455 -1.134 8.568) 8.984 10.837 ( -1.656 -1.041 -5.435) 5.776 11.221 ( -6.555 -8.767 -2.894) 11.323 11.607 ( 8.223 -0.151 12.667) 15.103 12.137 ( -5.099 0.622 6.239) 8.081 12.450 ( -14.234 2.748 -3.727) 14.968 12.635 ( 3.634 2.573 11.943) 12.746 12.850 ( 4.409 1.851 4.623) 6.651 13.105 ( -1.670 2.263 7.484) 7.995 13.286 ( 3.227 -10.556 3.416) 11.555 14.036 ( 2.959 -2.816 -16.925) 17.411 14.293 ( -2.020 8.019 -7.555) 11.201 14.575 ( 10.198 5.151 -11.376) 16.122 14.839 ( 5.904 7.904 -9.837) 13.932 15.334 ( -2.546 -0.173 -5.906) 6.434 15.608 ( -2.498 -4.976 2.620) 6.154 15.777 ( 2.083 3.080 -1.901) 4.176 15.916 ( 4.267 3.692 -2.317) 6.100 16.027 ( -0.267 -0.465 -1.488) 1.582 16.336 ( -2.648 0.478 -3.321) 4.274 16.471 ( 3.862 -0.173 -10.296) 10.998 16.594 ( -3.256 -2.827 0.179) 4.316 16.857 ( -10.950 -10.177 2.067) 15.091 ======================= Grid point 183 (49/90) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 16.249 5.071 9.701) 19.592 2.177 ( 16.290 8.628 11.868) 21.924 2.355 ( -15.460 2.856 6.076) 16.855 2.814 ( -9.994 3.505 6.450) 12.401 2.966 ( 4.546 -3.865 -1.412) 6.132 3.137 ( -0.771 -5.070 10.351) 11.552 3.219 ( -3.067 -4.276 2.240) 5.719 3.568 ( 5.672 -1.268 4.081) 7.102 3.765 ( 2.045 7.635 5.840) 9.828 3.949 ( 1.074 -1.593 0.814) 2.086 4.049 ( -3.818 0.851 2.723) 4.767 4.201 ( 4.349 4.105 -3.150) 6.759 4.416 ( 5.560 1.555 7.578) 9.527 4.632 ( -1.373 3.088 -0.596) 3.432 4.693 ( 0.629 -2.121 -1.923) 2.931 4.903 ( -1.486 -2.153 -3.487) 4.359 5.000 ( 0.268 3.576 -8.102) 8.860 5.118 ( 0.658 4.115 -9.074) 9.985 5.265 ( 3.583 -0.127 5.211) 6.326 5.329 ( -5.387 2.166 -2.785) 6.440 5.451 ( -0.409 -2.087 4.037) 4.563 5.685 ( 1.008 3.010 -0.336) 3.192 6.165 ( -2.158 -7.298 -7.824) 10.915 6.770 ( -0.746 -0.357 -7.203) 7.250 8.625 ( -3.201 -0.855 9.662) 10.215 9.458 ( -3.472 -2.041 10.469) 11.217 9.590 ( -2.297 -7.767 3.813) 8.953 10.056 ( 1.875 5.979 7.564) 9.822 10.089 ( 0.492 -0.897 2.443) 2.649 10.280 ( 5.235 -0.481 -0.302) 5.266 10.430 ( -2.436 3.742 -4.009) 6.001 10.525 ( -2.017 -1.588 5.457) 6.031 10.818 ( -0.384 -2.575 -4.007) 4.779 11.096 ( -6.086 -9.439 -0.689) 11.252 11.752 ( 5.476 -0.018 8.491) 10.104 12.040 ( -5.765 6.060 2.644) 8.772 12.280 ( -0.417 -7.923 1.825) 8.141 12.690 ( 1.703 5.566 13.019) 14.261 12.910 ( 0.472 -1.840 2.485) 3.128 13.086 ( 0.337 2.857 8.603) 9.071 13.301 ( -1.491 -9.031 3.864) 9.936 14.038 ( -1.835 0.316 -19.535) 19.624 14.319 ( 3.802 3.709 -5.535) 7.672 14.736 ( 5.346 3.988 -12.769) 14.406 14.940 ( 5.145 6.903 -8.527) 12.117 15.289 ( -1.684 -2.087 -5.659) 6.262 15.556 ( -2.964 -4.683 3.670) 6.647 15.794 ( 0.201 6.562 -2.844) 7.154 16.020 ( 2.300 0.198 -2.198) 3.188 16.036 ( 4.339 -0.809 -0.818) 4.489 16.306 ( 0.031 -0.942 0.559) 1.096 16.521 ( -1.445 -2.405 -4.785) 5.547 16.543 ( 0.333 0.223 -8.269) 8.279 16.645 ( -10.433 -6.470 0.494) 12.286 ======================= Grid point 184 (50/90) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -13.496 7.869 8.096) 17.595 2.263 ( 7.636 4.533 8.614) 12.372 2.502 ( 16.375 5.113 6.997) 18.527 2.595 ( -10.303 6.511 9.274) 15.316 2.957 ( -4.626 -7.543 1.404) 8.959 3.141 ( -0.003 -5.868 7.879) 9.824 3.232 ( 4.046 -4.575 0.005) 6.107 3.573 ( -2.934 -2.698 0.671) 4.042 3.850 ( 4.299 5.998 3.813) 8.307 3.949 ( -0.534 -3.749 4.137) 5.609 4.040 ( 2.446 -1.038 2.744) 3.820 4.234 ( -0.919 5.724 -1.449) 5.976 4.520 ( -2.291 4.854 3.969) 6.675 4.544 ( -0.788 4.863 5.818) 7.624 4.723 ( 1.644 -3.055 -2.262) 4.142 4.879 ( -0.567 -2.227 -2.743) 3.579 5.005 ( 0.821 5.730 -6.756) 8.897 5.095 ( -3.085 4.571 -11.946) 13.158 5.222 ( -2.947 2.816 0.221) 4.082 5.361 ( 4.271 0.528 3.716) 5.686 5.446 ( -0.238 -2.670 3.224) 4.192 5.688 ( -0.497 3.770 -0.772) 3.880 6.148 ( 0.258 -9.267 -8.355) 12.480 6.762 ( -0.031 -0.107 -6.852) 6.853 8.587 ( -0.510 0.933 9.876) 9.933 9.445 ( 1.903 -3.952 9.989) 10.909 9.572 ( 0.231 -8.597 6.244) 10.628 10.077 ( 0.229 7.731 7.421) 10.718 10.084 ( -1.191 1.234 1.299) 2.151 10.282 ( -3.752 0.060 0.701) 3.817 10.415 ( 0.744 2.466 -4.561) 5.238 10.527 ( 2.085 -2.570 2.122) 3.931 10.814 ( -0.227 -2.948 -0.380) 2.981 11.025 ( -0.733 -9.236 -0.820) 9.301 11.751 ( -4.901 4.841 8.908) 11.261 11.996 ( 2.261 -1.592 2.441) 3.688 12.411 ( 11.264 -9.083 -1.466) 14.544 12.703 ( -0.152 6.892 14.591) 16.138 12.854 ( -5.385 -4.212 -1.979) 7.117 13.113 ( 1.664 3.252 10.552) 11.166 13.245 ( -3.916 -6.053 6.868) 9.957 14.004 ( -1.280 2.140 -17.874) 18.047 14.387 ( 2.486 0.732 -7.290) 7.736 14.761 ( -2.101 5.528 -12.142) 13.506 15.003 ( 0.403 5.457 -9.309) 10.799 15.304 ( 3.451 -4.305 -8.197) 9.881 15.500 ( -2.581 -3.482 6.195) 7.561 15.797 ( 0.247 7.026 -2.532) 7.472 16.023 ( -0.127 -0.232 -3.067) 3.078 16.105 ( -0.280 -0.839 0.936) 1.288 16.356 ( 3.873 -2.396 1.524) 4.802 16.443 ( -3.789 -6.869 3.213) 8.477 16.495 ( -2.304 2.535 -8.182) 8.870 16.600 ( 2.506 -2.043 -9.563) 10.095 ======================= Grid point 186 (51/90) ======================= q-point: (-0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -10.777 12.432 11.207) 19.907 2.182 ( -13.599 8.663 14.637) 21.777 2.573 ( 5.555 2.226 1.583) 6.191 2.793 ( 12.722 -2.729 2.263) 13.207 2.870 ( -2.463 -4.996 5.459) 7.799 3.145 ( 0.216 -5.123 9.130) 10.471 3.285 ( 0.823 -3.831 -0.064) 3.919 3.491 ( -5.658 5.803 4.220) 9.138 3.903 ( -4.051 -3.043 5.433) 7.429 3.922 ( 2.478 -1.987 2.006) 3.757 4.107 ( 3.705 -2.442 3.012) 5.362 4.166 ( -6.029 8.394 -2.584) 10.653 4.354 ( -6.501 6.834 4.836) 10.600 4.609 ( 1.628 1.682 5.837) 6.289 4.733 ( -0.735 -2.600 -3.370) 4.320 4.893 ( 1.715 -1.703 -3.162) 3.980 5.025 ( -1.858 3.184 -16.686) 17.089 5.052 ( 2.105 5.614 -2.360) 6.444 5.197 ( -0.366 3.515 2.288) 4.210 5.413 ( 0.937 -3.172 -0.170) 3.312 5.449 ( 0.697 -0.140 4.331) 4.389 5.673 ( -1.066 3.925 -0.342) 4.081 6.172 ( 2.248 -7.814 -8.073) 11.458 6.769 ( 0.732 -0.270 -7.213) 7.256 8.613 ( 3.186 -0.216 9.368) 9.897 9.515 ( 4.880 -4.645 9.349) 11.524 9.589 ( 1.311 -9.019 8.714) 12.610 10.043 ( -1.821 4.287 2.759) 5.414 10.077 ( -0.730 5.081 7.557) 9.136 10.195 ( -4.524 1.837 -7.865) 9.257 10.457 ( 2.829 2.491 -1.162) 3.945 10.557 ( 0.652 -3.109 5.330) 6.205 10.817 ( 0.774 -3.151 -0.583) 3.296 11.074 ( 5.738 -8.013 -2.369) 10.137 11.652 ( -4.478 6.762 9.431) 12.439 12.075 ( 5.029 -3.720 6.098) 8.737 12.547 ( -1.570 -16.585 -9.914) 19.386 12.682 ( -2.467 6.986 15.315) 17.013 12.808 ( 3.991 0.997 -0.187) 4.118 13.130 ( -0.009 2.579 8.096) 8.497 13.184 ( -0.969 -2.046 11.452) 11.674 13.999 ( 0.835 3.024 -16.682) 16.974 14.392 ( -2.281 -1.542 -8.243) 8.691 14.682 ( -5.605 7.616 -11.754) 15.085 14.960 ( -4.563 4.910 -9.497) 11.624 15.347 ( -0.449 -3.801 -10.576) 11.248 15.508 ( 4.333 -2.590 7.477) 9.022 15.801 ( -0.020 6.084 -1.640) 6.301 16.017 ( -2.736 -0.276 -2.628) 3.803 16.031 ( -3.878 -0.009 -0.651) 3.932 16.346 ( -0.993 -3.851 -1.434) 4.227 16.469 ( 0.022 2.761 -7.516) 8.007 16.524 ( 5.229 -2.369 1.572) 5.952 16.681 ( 7.136 -6.413 -4.826) 10.740 ======================= Grid point 192 (52/90) ======================= q-point: ( 0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 16.170 6.304 6.261) 18.450 2.354 ( 8.249 7.342 10.823) 15.462 2.458 ( -9.910 7.645 1.651) 12.624 2.820 ( 2.287 -2.795 6.157) 7.138 2.858 ( 2.482 -5.865 4.232) 7.646 3.075 ( -2.426 -1.993 10.676) 11.128 3.173 ( -7.207 -0.587 0.307) 7.238 3.477 ( -5.241 -6.979 4.378) 9.764 3.893 ( 3.655 4.996 3.793) 7.260 3.940 ( 0.457 -0.202 1.594) 1.671 4.042 ( -3.422 -1.334 2.853) 4.651 4.287 ( 3.946 3.656 -3.114) 6.215 4.490 ( 7.089 7.162 6.785) 12.149 4.640 ( 2.061 -0.702 5.838) 6.231 4.712 ( -0.728 1.351 -5.822) 6.020 4.859 ( -1.883 -2.341 -3.028) 4.266 5.078 ( 2.493 4.719 -12.524) 13.613 5.157 ( 4.184 -0.516 -10.118) 10.961 5.267 ( 3.751 0.533 6.882) 7.856 5.339 ( -3.598 0.003 1.254) 3.810 5.433 ( -1.639 -0.515 5.964) 6.206 5.734 ( 2.179 1.985 -2.009) 3.567 6.033 ( -6.096 -5.996 -9.340) 12.663 6.762 ( -0.448 -0.459 -6.508) 6.539 8.606 ( -0.441 -0.851 10.237) 10.282 9.430 ( -4.629 -1.340 12.302) 13.212 9.459 ( -3.441 -5.325 8.163) 10.336 10.105 ( 2.846 2.424 -0.035) 3.738 10.156 ( 2.891 4.139 12.348) 13.341 10.269 ( 4.577 0.007 -10.848) 11.774 10.462 ( -2.226 -0.921 -4.295) 4.924 10.488 ( -3.337 -1.963 4.726) 6.109 10.782 ( -0.537 -1.116 0.655) 1.400 10.922 ( -7.092 -7.382 1.059) 10.292 11.754 ( 3.199 1.042 4.824) 5.882 12.088 ( 5.280 -2.801 4.657) 7.577 12.257 ( -12.571 4.748 -6.647) 14.992 12.765 ( 0.577 0.365 6.975) 7.008 12.809 ( 0.010 -5.205 9.029) 10.422 13.141 ( 0.689 2.830 9.907) 10.326 13.195 ( 0.673 -2.454 11.179) 11.465 14.017 ( -0.525 -1.335 -20.477) 20.528 14.399 ( 1.703 3.288 -6.595) 7.563 14.825 ( 6.468 4.962 -11.444) 14.051 15.044 ( 4.234 3.964 -7.784) 9.707 15.258 ( -5.011 -1.623 -9.248) 10.643 15.462 ( -2.211 -4.282 8.117) 9.440 15.908 ( 4.197 4.445 -0.842) 6.171 16.023 ( 0.406 -0.238 -3.393) 3.425 16.045 ( 2.377 2.669 -1.242) 3.784 16.285 ( -2.072 -0.847 2.623) 3.449 16.422 ( -6.438 -7.687 4.735) 11.089 16.537 ( 2.216 -0.566 -10.137) 10.392 16.579 ( -3.728 -0.788 -10.310) 10.991 ======================= Grid point 193 (53/90) ======================= q-point: (-0.50 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -9.304 11.442 3.535) 15.165 2.347 ( 8.427 3.469 3.472) 9.752 2.518 ( 4.423 0.328 7.548) 8.754 2.803 ( -0.925 7.460 7.477) 10.602 2.840 ( -5.744 0.310 5.043) 7.650 3.053 ( -0.200 -3.549 11.306) 11.851 3.140 ( 3.924 -4.444 0.318) 5.937 3.400 ( -0.925 -13.859 4.225) 14.518 3.930 ( 0.523 1.872 2.545) 3.203 3.955 ( -1.052 3.070 1.201) 3.460 4.009 ( 1.163 -1.961 3.334) 4.039 4.320 ( -0.102 2.940 -2.074) 3.600 4.597 ( 3.339 4.790 7.692) 9.657 4.639 ( -4.897 3.697 3.401) 7.015 4.704 ( 1.595 0.309 -5.645) 5.874 4.834 ( -0.186 -2.630 -2.548) 3.666 5.122 ( 2.257 5.819 -11.432) 13.025 5.165 ( -3.384 2.293 -13.886) 14.475 5.277 ( -0.791 3.306 5.627) 6.574 5.341 ( 0.932 -1.580 6.344) 6.604 5.414 ( 0.673 -1.271 6.710) 6.862 5.753 ( -0.002 2.740 -2.659) 3.819 5.971 ( -0.017 -8.512 -10.392) 13.433 6.757 ( -0.002 -0.378 -6.260) 6.272 8.599 ( -0.125 0.385 10.423) 10.431 9.389 ( 0.721 -1.971 11.450) 11.641 9.429 ( -0.329 -5.869 10.541) 12.069 10.134 ( 0.071 4.059 -1.072) 4.199 10.200 ( 0.433 4.485 14.952) 15.616 10.294 ( -1.972 1.582 -11.696) 11.967 10.425 ( 0.416 -1.449 -5.457) 5.661 10.464 ( 0.779 -4.300 2.466) 5.018 10.779 ( -0.405 -0.878 2.523) 2.702 10.848 ( 0.138 -7.856 1.742) 8.048 11.776 ( -0.473 -0.720 4.964) 5.038 12.078 ( -3.498 7.872 -0.799) 8.651 12.250 ( 6.551 -7.072 -4.716) 10.732 12.723 ( -1.712 -7.091 1.078) 7.373 12.816 ( -0.478 3.333 17.690) 18.008 13.163 ( 1.254 1.932 10.734) 10.979 13.186 ( -1.446 -0.914 10.835) 10.970 14.005 ( -0.194 -0.985 -20.899) 20.923 14.425 ( 0.401 2.353 -6.868) 7.271 14.887 ( -0.443 7.328 -11.358) 13.524 15.093 ( -0.699 3.796 -8.160) 9.027 15.212 ( 1.764 -5.485 -9.090) 10.762 15.431 ( -0.733 -3.299 9.339) 9.931 15.943 ( 0.064 8.180 -0.961) 8.236 16.022 ( -0.153 0.227 -3.830) 3.840 16.096 ( 0.059 -0.162 0.011) 0.173 16.291 ( 2.243 -7.727 6.177) 10.143 16.310 ( -2.264 -3.362 1.561) 4.343 16.538 ( -0.866 1.740 -10.557) 10.734 16.567 ( 0.918 -1.301 -11.253) 11.365 ======================= Grid point 206 (54/90) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 0.000 -0.000 -0.339) 0.339 2.377 ( 0.000 0.000 -0.339) 0.339 2.530 ( 0.000 0.000 10.287) 10.287 2.748 ( -0.000 0.000 3.949) 3.949 3.000 ( 0.000 -0.000 21.284) 21.284 3.093 ( -0.000 -0.000 -0.125) 0.125 3.093 ( 0.000 -0.000 -0.125) 0.125 3.133 ( -0.000 0.000 7.521) 7.521 3.949 ( 0.000 -0.000 5.504) 5.504 3.986 ( -0.000 -0.000 0.393) 0.393 3.986 ( 0.000 0.000 0.393) 0.393 4.345 ( 0.000 -0.000 -1.194) 1.194 4.673 ( -0.000 -0.000 7.306) 7.306 4.673 ( -0.000 0.000 7.306) 7.306 4.702 ( 0.000 0.000 -12.517) 12.517 4.796 ( 0.000 0.000 -1.949) 1.949 5.182 ( -0.000 -0.000 -14.669) 14.669 5.182 ( 0.000 0.000 -14.669) 14.669 5.328 ( 0.000 -0.000 8.883) 8.883 5.328 ( 0.000 0.000 8.883) 8.883 5.390 ( 0.000 0.000 8.993) 8.993 5.780 ( 0.000 0.000 -3.601) 3.601 5.879 ( 0.000 0.000 -12.422) 12.422 6.752 ( 0.000 0.000 -6.067) 6.067 8.603 ( 0.000 -0.000 10.414) 10.414 9.371 ( 0.000 0.000 12.186) 12.186 9.371 ( 0.000 0.000 12.186) 12.186 10.193 ( -0.000 0.000 -4.006) 4.006 10.241 ( 0.000 0.000 19.468) 19.468 10.329 ( 0.000 -0.000 -19.676) 19.676 10.394 ( 0.000 0.000 0.477) 0.477 10.394 ( 0.000 0.000 0.477) 0.477 10.773 ( 0.000 0.000 3.106) 3.106 10.773 ( 0.000 0.000 3.106) 3.106 11.768 ( 0.000 0.000 4.917) 4.917 12.178 ( 0.000 0.000 -6.211) 6.211 12.178 ( 0.000 0.000 -6.211) 6.211 12.631 ( -0.000 0.000 7.271) 7.271 12.851 ( -0.000 0.000 18.577) 18.577 13.182 ( 0.000 0.000 10.755) 10.755 13.182 ( 0.000 0.000 10.755) 10.755 13.993 ( 0.000 0.000 -21.458) 21.458 14.450 ( 0.000 0.000 -7.203) 7.203 14.987 ( 0.000 0.000 -12.754) 12.754 15.131 ( 0.000 0.000 -8.091) 8.091 15.131 ( 0.000 0.000 -8.091) 8.091 15.397 ( 0.000 -0.000 10.922) 10.922 16.013 ( 0.000 0.000 -4.722) 4.722 16.095 ( -0.000 -0.000 -0.707) 0.707 16.095 ( 0.000 0.000 -0.707) 0.707 16.147 ( 0.000 -0.000 6.808) 6.808 16.282 ( 0.000 0.000 2.476) 2.476 16.555 ( 0.000 0.000 -11.141) 11.141 16.555 ( 0.000 0.000 -11.141) 11.141 ======================= Grid point 243 (55/90) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 0.000 21.786) 21.786 1.585 ( 0.000 0.000 21.786) 21.786 2.870 ( 0.000 0.000 -5.545) 5.545 2.870 ( 0.000 0.000 -5.545) 5.545 3.174 ( 0.000 0.000 23.160) 23.160 3.365 ( 0.000 0.000 22.972) 22.972 3.419 ( 0.000 0.000 1.333) 1.333 3.419 ( 0.000 -0.000 1.333) 1.333 3.437 ( 0.000 0.000 -0.006) 0.006 4.122 ( 0.000 0.000 0.568) 0.568 4.122 ( -0.000 0.000 0.568) 0.568 4.248 ( 0.000 0.000 -7.108) 7.108 4.254 ( 0.000 0.000 9.707) 9.707 4.504 ( 0.000 0.000 1.623) 1.623 4.592 ( 0.000 0.000 -18.074) 18.074 4.592 ( 0.000 0.000 -18.074) 18.074 4.851 ( 0.000 0.000 -0.604) 0.604 4.947 ( -0.000 0.000 -3.921) 3.921 5.402 ( 0.000 0.000 8.482) 8.482 5.402 ( 0.000 0.000 8.482) 8.482 5.526 ( -0.000 0.000 1.796) 1.796 5.714 ( 0.000 0.000 5.536) 5.536 6.186 ( -0.000 0.000 -4.830) 4.830 6.579 ( 0.000 0.000 -16.833) 16.833 9.455 ( -0.000 0.000 12.866) 12.866 9.472 ( 0.000 0.000 -4.042) 4.042 9.472 ( -0.000 0.000 -4.042) 4.042 10.066 ( 0.000 0.000 5.697) 5.697 10.066 ( 0.000 0.000 5.697) 5.697 10.305 ( 0.000 0.000 -17.038) 17.038 10.524 ( -0.000 0.000 3.271) 3.271 10.524 ( -0.000 0.000 3.271) 3.271 10.953 ( 0.000 0.000 12.226) 12.226 11.525 ( 0.000 0.000 -5.823) 5.823 12.222 ( 0.000 0.000 35.841) 35.841 12.325 ( 0.000 0.000 -1.171) 1.171 12.325 ( 0.000 0.000 -1.171) 1.171 12.686 ( 0.000 0.000 13.283) 13.283 13.080 ( 0.000 0.000 7.242) 7.242 13.080 ( -0.000 0.000 7.242) 7.242 13.455 ( 0.000 0.000 9.297) 9.297 13.811 ( 0.000 0.000 -16.202) 16.202 14.049 ( 0.000 0.000 -3.470) 3.470 14.049 ( -0.000 0.000 -3.470) 3.470 14.160 ( 0.000 0.000 -8.626) 8.626 15.192 ( 0.000 0.000 -21.129) 21.129 15.578 ( 0.000 0.000 -3.425) 3.425 15.578 ( 0.000 -0.000 -3.425) 3.425 15.906 ( 0.000 0.000 7.668) 7.668 16.114 ( -0.000 0.000 0.728) 0.728 16.149 ( 0.000 0.000 -9.287) 9.287 16.149 ( 0.000 -0.000 -9.287) 9.287 16.902 ( 0.000 0.000 7.139) 7.139 17.362 ( 0.000 0.000 -6.566) 6.566 ======================= Grid point 244 (56/90) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 6.707 4.859 20.880) 22.462 1.718 ( 12.867 -4.237 20.127) 24.261 2.825 ( -4.393 2.389 -4.863) 6.975 2.853 ( -0.614 -1.958 -2.618) 3.327 3.129 ( -6.382 -4.067 6.073) 9.703 3.352 ( -3.327 2.967 1.367) 4.663 3.380 ( 5.943 1.859 26.020) 26.755 3.472 ( 0.941 0.728 1.637) 2.023 3.567 ( 9.439 -2.044 4.629) 10.710 4.066 ( -4.084 2.731 7.423) 8.902 4.148 ( 2.114 -5.057 3.809) 6.674 4.248 ( 0.165 0.568 -0.265) 0.648 4.292 ( 2.789 1.351 -2.269) 3.841 4.489 ( -1.264 0.012 0.348) 1.311 4.592 ( -0.018 0.019 -17.742) 17.742 4.607 ( 1.522 0.039 -16.797) 16.866 4.846 ( -0.672 -0.142 -1.545) 1.691 4.938 ( -0.502 0.257 -3.791) 3.833 5.365 ( -3.336 0.128 6.205) 7.046 5.423 ( 1.818 -0.075 6.779) 7.019 5.547 ( 1.522 0.069 4.066) 4.342 5.708 ( -0.672 0.009 6.370) 6.405 6.189 ( 0.355 -0.087 -4.744) 4.758 6.570 ( -0.811 0.022 -16.570) 16.590 9.195 ( -13.587 1.377 6.227) 15.010 9.490 ( 1.764 -4.118 -4.273) 6.191 9.744 ( 14.332 2.850 1.793) 14.723 10.002 ( -5.274 0.033 3.773) 6.485 10.073 ( 0.736 -0.365 5.585) 5.645 10.325 ( -0.115 0.005 -9.077) 9.077 10.458 ( -5.846 4.231 1.811) 7.440 10.558 ( 3.887 -4.151 -0.409) 5.702 10.934 ( -1.961 0.208 11.626) 11.792 11.446 ( -7.522 0.199 -5.175) 9.132 12.159 ( -4.360 3.969 29.454) 30.038 12.303 ( -1.445 -10.312 4.873) 11.497 12.418 ( 6.992 6.079 -0.773) 9.297 12.766 ( 6.815 -0.603 11.628) 13.492 13.041 ( -3.608 6.655 6.112) 9.729 13.061 ( -1.636 -6.595 8.016) 10.509 13.462 ( 0.361 0.552 6.864) 6.896 13.769 ( -3.546 0.758 -12.605) 13.116 14.082 ( 3.492 -1.774 -4.251) 5.780 14.113 ( 6.353 0.426 -7.252) 9.650 14.238 ( 7.012 0.598 -7.367) 10.188 15.172 ( -1.680 -0.029 -19.346) 19.419 15.576 ( -0.273 -0.131 -3.436) 3.449 15.634 ( 5.560 0.102 -4.785) 7.336 15.885 ( -2.219 -0.022 7.047) 7.388 16.079 ( -1.802 0.388 -1.109) 2.151 16.151 ( 0.196 -0.793 -8.854) 8.892 16.201 ( 3.492 0.471 -6.973) 7.813 16.861 ( -4.206 -0.009 6.761) 7.962 17.285 ( -7.907 -0.009 -5.378) 9.562 ======================= Grid point 245 (57/90) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 11.574 7.486 18.565) 23.123 2.002 ( 15.716 -4.329 16.938) 23.508 2.722 ( -6.270 3.460 -2.269) 7.512 2.847 ( -2.752 -2.946 -1.062) 4.170 3.019 ( -1.778 -8.867 1.354) 9.144 3.288 ( -2.507 4.387 -0.870) 5.127 3.440 ( -2.659 1.215 0.570) 2.979 3.539 ( 6.579 5.605 17.353) 19.386 3.713 ( 5.240 -4.118 4.574) 8.083 4.026 ( 1.019 1.323 16.255) 16.341 4.176 ( 0.892 -5.695 6.055) 8.360 4.254 ( -0.764 -0.360 0.948) 1.270 4.345 ( 3.442 3.572 -1.292) 5.126 4.473 ( 0.017 -0.798 -2.340) 2.472 4.588 ( -0.531 0.583 -17.818) 17.835 4.643 ( 2.249 -0.416 -14.876) 15.050 4.822 ( -1.712 -0.253 -5.084) 5.371 4.944 ( 1.189 0.837 -2.132) 2.581 5.293 ( -4.131 0.951 4.676) 6.312 5.455 ( 1.300 -0.383 4.462) 4.663 5.569 ( 0.786 0.163 5.901) 5.955 5.688 ( -1.360 0.108 8.024) 8.139 6.201 ( 0.929 -0.380 -4.958) 5.058 6.551 ( -1.109 0.109 -15.870) 15.909 8.960 ( -11.121 1.771 7.386) 13.467 9.524 ( 1.380 -7.248 -5.684) 9.313 9.872 ( -3.240 1.350 -0.364) 3.528 10.002 ( 5.573 2.632 6.262) 8.786 10.113 ( 5.727 0.733 3.516) 6.760 10.244 ( -6.801 5.869 -0.546) 9.000 10.373 ( -3.175 -1.174 -0.761) 3.470 10.665 ( 6.675 -3.803 -4.088) 8.702 10.882 ( -3.589 0.016 9.677) 10.321 11.285 ( -8.542 0.924 -4.314) 9.614 12.089 ( -2.671 4.225 26.732) 27.196 12.280 ( -1.268 -9.568 8.254) 12.700 12.549 ( 6.639 3.404 -1.974) 7.717 12.859 ( 1.128 -4.854 11.589) 12.615 12.960 ( -4.866 8.559 3.267) 10.373 13.064 ( 3.659 -4.467 8.932) 10.636 13.458 ( -0.742 1.420 3.269) 3.641 13.704 ( -3.143 1.871 -9.869) 10.525 14.160 ( 4.122 -4.414 -7.964) 9.995 14.256 ( 7.732 2.895 -9.447) 12.547 14.389 ( 8.402 0.025 -7.132) 11.021 15.149 ( -0.374 -0.246 -15.855) 15.861 15.568 ( -0.495 -0.065 -3.440) 3.476 15.763 ( 6.143 -0.438 -3.795) 7.234 15.839 ( -0.727 0.349 3.455) 3.548 16.057 ( -0.685 0.851 -0.199) 1.111 16.156 ( 0.387 -1.192 -7.854) 7.953 16.265 ( 3.288 0.659 -7.189) 7.933 16.754 ( -6.726 -0.091 5.771) 8.863 17.086 ( -12.506 -0.031 -2.854) 12.827 ======================= Grid point 246 (58/90) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 13.239 7.003 15.200) 21.339 2.267 ( 11.866 -2.005 12.420) 17.294 2.589 ( -8.064 3.079 6.320) 10.698 2.713 ( -8.840 -6.347 1.416) 10.975 3.082 ( 4.741 -4.640 -6.804) 9.503 3.266 ( -0.487 0.896 -2.838) 3.015 3.387 ( -0.575 1.016 3.451) 3.643 3.580 ( -2.694 6.386 4.457) 8.240 3.788 ( 3.667 -3.281 8.858) 10.133 4.065 ( -0.029 -0.983 16.169) 16.199 4.188 ( 1.265 -3.277 3.574) 5.011 4.254 ( 2.462 0.187 3.997) 4.698 4.393 ( 0.546 3.767 0.685) 3.867 4.500 ( 2.591 -2.657 1.313) 3.937 4.570 ( -1.283 1.534 -18.313) 18.422 4.690 ( 2.451 -1.658 -14.540) 14.839 4.790 ( -1.494 0.336 -6.212) 6.398 4.973 ( 1.510 0.806 -0.827) 1.901 5.216 ( -3.717 1.680 4.917) 6.389 5.468 ( 0.175 -0.684 4.385) 4.441 5.578 ( 0.239 0.106 6.409) 6.414 5.662 ( -1.190 0.211 8.507) 8.593 6.219 ( 0.823 -0.390 -5.633) 5.706 6.533 ( -0.740 0.131 -15.046) 15.065 8.791 ( -6.423 1.212 8.220) 10.502 9.529 ( -0.777 -5.262 -8.788) 10.273 9.834 ( 0.353 -3.798 2.921) 4.805 9.983 ( -5.159 5.908 4.785) 9.188 10.168 ( -0.573 5.037 2.277) 5.557 10.268 ( 3.446 -1.935 -2.150) 4.499 10.338 ( 3.872 2.748 2.831) 5.528 10.737 ( -3.049 -0.898 4.035) 5.137 10.830 ( 1.178 -3.611 -0.005) 3.799 11.159 ( -4.240 1.729 -4.020) 6.093 12.064 ( -0.270 2.361 28.571) 28.669 12.252 ( -1.509 -5.285 4.224) 6.932 12.663 ( 5.496 -0.447 1.534) 5.724 12.833 ( -2.249 -5.128 12.355) 13.564 12.866 ( -4.851 6.605 1.181) 8.279 13.168 ( 5.575 -0.710 9.128) 10.720 13.436 ( -1.529 1.125 0.327) 1.926 13.656 ( -1.793 1.505 -8.839) 9.143 14.222 ( 2.296 -3.215 -12.120) 12.747 14.373 ( 4.449 2.805 -9.243) 10.635 14.527 ( 5.529 -0.439 -10.483) 11.859 15.161 ( 1.354 -0.473 -11.761) 11.848 15.559 ( -0.374 0.113 -3.521) 3.543 15.752 ( -2.675 -0.421 6.617) 7.150 15.960 ( 8.105 -0.146 -7.606) 11.115 16.052 ( 0.434 1.221 -0.980) 1.625 16.164 ( 0.374 -0.913 -6.915) 6.985 16.324 ( 3.027 0.595 -6.943) 7.597 16.626 ( -6.386 -0.360 4.773) 7.981 16.850 ( -11.348 0.038 -0.345) 11.354 ======================= Grid point 247 (59/90) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 0.000 0.000 9.831) 9.831 2.388 ( 0.000 0.000 10.224) 10.224 2.480 ( -0.000 0.000 15.170) 15.170 2.596 ( 0.000 -0.000 0.761) 0.761 3.128 ( 0.000 -0.000 -7.362) 7.362 3.249 ( 0.000 -0.000 -5.133) 5.133 3.443 ( 0.000 -0.000 -0.304) 0.304 3.502 ( -0.000 0.000 7.660) 7.660 3.830 ( -0.000 0.000 8.094) 8.094 4.042 ( 0.000 0.000 11.843) 11.843 4.209 ( -0.000 0.000 6.490) 6.490 4.308 ( 0.000 -0.000 -2.102) 2.102 4.380 ( -0.000 0.000 5.179) 5.179 4.538 ( 0.000 -0.000 5.734) 5.734 4.547 ( -0.000 0.000 -19.867) 19.867 4.717 ( 0.000 -0.000 -15.582) 15.582 4.774 ( 0.000 0.000 -3.681) 3.681 4.990 ( 0.000 0.000 -1.143) 1.143 5.175 ( 0.000 -0.000 5.398) 5.398 5.468 ( 0.000 0.000 5.090) 5.090 5.580 ( 0.000 0.000 6.400) 6.400 5.650 ( 0.000 0.000 8.110) 8.110 6.228 ( 0.000 -0.000 -6.015) 6.015 6.526 ( 0.000 -0.000 -14.659) 14.659 8.729 ( 0.000 0.000 8.501) 8.501 9.517 ( 0.000 -0.000 -10.167) 10.167 9.876 ( -0.000 0.000 -3.304) 3.304 9.891 ( 0.000 -0.000 11.149) 11.149 10.176 ( -0.000 -0.000 4.060) 4.060 10.253 ( 0.000 0.000 -2.614) 2.614 10.451 ( -0.000 0.000 2.435) 2.435 10.649 ( 0.000 0.000 5.421) 5.421 10.861 ( 0.000 -0.000 -1.741) 1.741 11.123 ( 0.000 -0.000 -3.954) 3.954 12.064 ( 0.000 -0.000 30.735) 30.735 12.235 ( 0.000 0.000 0.725) 0.725 12.742 ( 0.000 -0.000 14.689) 14.689 12.787 ( -0.000 0.000 -11.410) 11.410 12.816 ( 0.000 -0.000 13.267) 13.267 13.229 ( 0.000 0.000 10.488) 10.488 13.416 ( -0.000 -0.000 -1.884) 1.884 13.639 ( 0.000 -0.000 -8.593) 8.593 14.244 ( 0.000 0.000 -13.920) 13.920 14.416 ( 0.000 0.000 -8.699) 8.699 14.580 ( 0.000 0.000 -12.782) 12.782 15.179 ( 0.000 -0.000 -9.754) 9.754 15.556 ( 0.000 0.000 -3.719) 3.719 15.723 ( 0.000 0.000 7.290) 7.290 16.026 ( 0.000 0.000 -0.517) 0.517 16.085 ( -0.000 -0.000 -10.688) 10.688 16.168 ( 0.000 -0.000 -6.290) 6.290 16.363 ( 0.000 0.000 -6.479) 6.479 16.550 ( 0.000 -0.000 4.830) 4.830 16.726 ( 0.000 -0.000 1.236) 1.236 ======================= Grid point 253 (60/90) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 8.917 1.616 19.553) 21.551 1.840 ( 8.448 13.639 19.664) 25.378 2.782 ( -0.473 -3.311 -3.286) 4.689 2.883 ( -0.193 0.630 -3.486) 3.548 3.043 ( -11.036 -1.841 2.176) 11.398 3.379 ( 2.272 -5.617 5.318) 8.062 3.395 ( 0.791 0.817 4.339) 4.486 3.470 ( 5.339 3.291 20.434) 21.375 3.649 ( 5.007 8.294 2.592) 10.029 4.035 ( -0.390 -4.139 6.815) 7.983 4.148 ( -4.430 4.015 8.729) 10.580 4.267 ( 0.392 0.580 -2.112) 2.225 4.306 ( 4.177 0.585 -0.155) 4.221 4.485 ( -0.283 -0.229 -0.793) 0.873 4.591 ( 0.184 0.168 -17.437) 17.439 4.624 ( 1.543 1.377 -16.322) 16.452 4.839 ( -0.950 -0.547 -1.920) 2.211 4.929 ( -0.222 -0.982 -4.165) 4.285 5.337 ( -1.847 -2.289 4.670) 5.519 5.448 ( 1.580 1.740 6.475) 6.888 5.558 ( 1.067 0.870 4.682) 4.880 5.703 ( -0.496 -0.526 6.499) 6.539 6.184 ( -0.587 -0.303 -4.505) 4.553 6.566 ( -0.385 -0.457 -16.208) 16.219 9.090 ( -7.480 -9.710 6.046) 13.667 9.547 ( -1.855 8.138 -3.979) 9.246 9.817 ( 11.647 2.745 -0.038) 11.966 9.944 ( -4.844 -3.579 4.548) 7.547 10.086 ( 0.779 1.300 5.514) 5.718 10.350 ( -2.230 -10.946 1.209) 11.236 10.363 ( -1.007 2.399 -6.169) 6.696 10.610 ( 1.247 6.196 -1.593) 6.518 10.917 ( -1.557 -2.075 11.147) 11.445 11.391 ( -5.237 -5.904 -4.675) 9.173 12.101 ( -2.430 -7.888 22.207) 23.691 12.272 ( -6.607 5.449 10.023) 13.184 12.504 ( 8.016 2.518 0.128) 8.403 12.793 ( -0.001 2.553 9.785) 10.112 12.940 ( -1.388 -4.699 10.282) 11.390 13.143 ( 1.419 3.608 4.811) 6.178 13.461 ( 0.616 -0.956 6.502) 6.601 13.752 ( -1.129 -3.291 -14.168) 14.589 14.073 ( 0.106 3.995 -3.576) 5.362 14.169 ( 5.269 3.892 -6.903) 9.516 14.334 ( 8.393 7.895 -7.735) 13.878 15.155 ( -1.530 -1.399 -18.115) 18.233 15.611 ( 1.426 1.878 -3.289) 4.047 15.646 ( 3.165 2.837 -5.742) 7.144 15.869 ( -1.701 -1.678 6.742) 7.153 16.051 ( -1.464 -2.100 -1.774) 3.114 16.175 ( 0.217 2.017 -8.058) 8.309 16.218 ( 2.807 1.421 -6.646) 7.353 16.822 ( -4.018 -3.980 6.349) 8.503 17.213 ( -7.339 -7.311 -4.396) 11.254 ======================= Grid point 254 (61/90) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 14.289 -0.657 16.156) 21.578 2.032 ( 12.329 10.630 17.827) 24.142 2.774 ( -7.103 1.941 3.083) 7.983 2.822 ( -6.456 -4.580 -3.211) 8.542 2.885 ( 2.197 0.531 -1.942) 2.980 3.332 ( -3.242 0.600 -3.076) 4.509 3.424 ( -1.313 -2.951 3.937) 5.092 3.621 ( 8.374 -0.588 18.078) 19.933 3.723 ( 1.833 7.646 5.105) 9.374 4.039 ( 0.468 -1.732 3.661) 4.077 4.099 ( 1.141 -0.931 13.850) 13.928 4.253 ( -2.099 0.409 1.543) 2.637 4.385 ( 4.240 0.983 1.454) 4.589 4.482 ( -0.213 1.830 -5.215) 5.531 4.599 ( 0.678 1.018 -14.904) 14.954 4.658 ( 1.796 1.523 -14.030) 14.226 4.816 ( -1.228 -0.463 -6.634) 6.763 4.937 ( 0.838 -1.251 -2.427) 2.856 5.308 ( -1.335 0.512 2.510) 2.889 5.464 ( 0.042 1.027 7.066) 7.140 5.576 ( 0.677 0.482 6.203) 6.259 5.691 ( -0.685 0.093 6.141) 6.180 6.171 ( -0.675 -2.576 -4.568) 5.287 6.558 ( -0.488 0.445 -15.258) 15.272 8.944 ( -7.756 -3.508 8.271) 11.869 9.488 ( -2.964 3.323 -8.346) 9.459 9.840 ( -5.143 -3.829 4.470) 7.816 10.055 ( 7.864 2.839 4.201) 9.357 10.123 ( 5.568 0.572 1.591) 5.819 10.276 ( -2.450 -9.644 2.525) 10.265 10.346 ( -3.094 4.384 -1.975) 5.718 10.658 ( 4.413 3.384 -4.015) 6.859 10.865 ( -4.454 -1.670 9.725) 10.825 11.271 ( -6.780 -2.743 -3.577) 8.142 12.055 ( -2.096 -10.108 2.874) 10.715 12.184 ( -2.854 3.871 26.654) 27.084 12.602 ( 2.233 -1.867 1.076) 3.103 12.745 ( -1.983 -3.229 9.933) 10.631 13.004 ( 3.889 0.857 10.360) 11.099 13.134 ( -0.257 6.210 3.714) 7.240 13.468 ( -0.362 -0.573 2.979) 3.055 13.722 ( -1.944 -1.424 -13.776) 13.985 14.103 ( 2.868 0.652 -5.050) 5.844 14.306 ( 8.170 3.286 -8.365) 12.146 14.493 ( 8.008 8.689 -7.338) 13.909 15.131 ( -0.693 -1.459 -15.366) 15.451 15.610 ( -0.517 4.339 -3.858) 5.829 15.743 ( 3.984 -1.595 -1.907) 4.696 15.842 ( 1.010 -0.128 1.272) 1.629 16.036 ( -0.246 -2.260 -0.371) 2.303 16.174 ( 0.076 2.351 -7.581) 7.937 16.278 ( 3.221 0.680 -6.908) 7.652 16.720 ( -6.507 -3.456 5.225) 9.032 17.027 ( -11.745 -5.985 -2.226) 13.369 ======================= Grid point 255 (62/90) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 9.603 2.474 12.550) 15.995 2.308 ( 15.498 5.104 13.816) 21.380 2.541 ( -12.904 -5.020 8.561) 16.279 2.741 ( -5.375 6.547 -0.610) 8.493 2.991 ( 6.428 -3.335 -4.317) 8.431 3.271 ( -2.835 -0.610 -3.146) 4.279 3.380 ( -1.671 -1.997 3.315) 4.215 3.654 ( -4.196 0.744 3.446) 5.480 3.799 ( 5.912 4.609 11.664) 13.865 4.064 ( 1.107 -0.757 11.026) 11.107 4.124 ( -0.027 -2.499 3.684) 4.452 4.246 ( 2.999 -0.589 6.322) 7.022 4.461 ( 2.983 -0.846 -2.053) 3.719 4.471 ( -0.539 4.073 -4.256) 5.916 4.615 ( 0.629 2.820 -11.358) 11.720 4.686 ( 1.284 1.465 -11.735) 11.896 4.802 ( -0.168 0.834 -9.370) 9.409 4.949 ( 0.250 -2.344 -0.318) 2.378 5.272 ( -2.860 3.541 2.571) 5.228 5.460 ( -0.013 -0.037 7.459) 7.460 5.582 ( 0.097 0.313 7.091) 7.099 5.679 ( -0.563 1.167 6.266) 6.398 6.162 ( -0.199 -5.154 -5.547) 7.575 6.549 ( -0.362 1.238 -14.210) 14.268 8.813 ( -5.762 0.722 9.123) 10.815 9.461 ( 0.315 -1.274 -10.117) 10.202 9.765 ( -2.285 -3.663 4.202) 6.025 10.092 ( -0.725 5.318 7.251) 9.022 10.164 ( -2.737 -5.543 -1.550) 6.373 10.282 ( -0.958 4.069 -2.327) 4.785 10.376 ( 8.686 -0.401 5.284) 10.175 10.704 ( -6.044 -2.016 4.796) 7.975 10.786 ( 2.418 -0.310 -1.505) 2.865 11.164 ( -4.315 -1.469 -2.180) 5.053 12.045 ( 1.044 -7.462 0.498) 7.551 12.142 ( -1.905 -1.086 26.442) 26.532 12.608 ( 0.162 -9.874 5.704) 11.404 12.762 ( 2.679 2.157 7.416) 8.175 12.976 ( -5.133 4.764 4.359) 8.249 13.203 ( 5.381 3.442 9.317) 11.296 13.443 ( -2.077 -0.132 1.286) 2.446 13.683 ( -2.059 -0.234 -12.867) 13.033 14.166 ( 3.398 -0.701 -8.263) 8.962 14.428 ( 4.035 3.172 -10.421) 11.617 14.620 ( 4.974 8.510 -8.795) 13.210 15.137 ( 1.272 -2.020 -11.333) 11.582 15.599 ( -0.622 4.107 -4.159) 5.878 15.735 ( -1.990 -1.499 6.495) 6.956 15.948 ( 6.341 -1.004 -7.477) 9.855 16.043 ( 1.489 -1.729 -0.571) 2.353 16.181 ( 0.569 2.232 -7.693) 8.031 16.335 ( 2.812 0.510 -6.343) 6.957 16.594 ( -6.254 -2.911 3.990) 7.969 16.805 ( -10.750 -4.683 0.130) 11.727 ======================= Grid point 256 (63/90) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -9.353 -2.125 10.929) 14.541 2.415 ( 4.399 -0.319 7.180) 8.427 2.526 ( -0.348 7.416 11.359) 13.570 2.655 ( 3.783 3.254 5.266) 7.254 3.057 ( 0.468 -5.316 -4.975) 7.295 3.267 ( 2.335 1.105 -3.480) 4.334 3.381 ( 0.939 -4.576 3.387) 5.770 3.553 ( -5.690 3.761 4.854) 8.372 3.864 ( 1.104 2.664 5.839) 6.512 4.075 ( 1.730 2.321 8.710) 9.178 4.149 ( 2.075 -5.329 4.318) 7.166 4.295 ( 0.159 -1.351 5.376) 5.545 4.426 ( -3.187 3.864 -0.066) 5.009 4.521 ( 2.483 0.692 -8.781) 9.152 4.607 ( -1.544 4.006 -7.692) 8.809 4.713 ( 1.615 0.190 -11.727) 11.839 4.806 ( 0.042 2.902 -4.957) 5.744 4.942 ( -0.861 -3.713 0.365) 3.829 5.216 ( -1.986 3.685 4.759) 6.338 5.468 ( 0.642 -0.038 3.990) 4.042 5.583 ( -0.049 0.250 7.221) 7.225 5.673 ( -0.058 2.049 7.720) 7.988 6.163 ( 0.271 -6.326 -6.253) 8.899 6.545 ( -0.077 1.554 -13.710) 13.798 8.745 ( -1.087 1.505 8.636) 8.833 9.502 ( 4.012 -1.158 -9.497) 10.375 9.769 ( 2.904 -5.027 3.143) 6.602 10.040 ( -4.487 8.884 5.405) 11.326 10.111 ( -2.546 -5.265 1.697) 6.089 10.307 ( 3.249 3.861 -0.895) 5.125 10.409 ( -8.266 -3.381 2.582) 9.297 10.632 ( 3.685 -2.459 4.085) 6.026 10.866 ( 3.779 0.848 0.062) 3.873 11.100 ( -2.507 -2.665 -2.723) 4.561 12.052 ( -1.864 -1.226 23.597) 23.702 12.147 ( 3.861 -7.613 3.671) 9.293 12.638 ( 2.651 -10.626 1.820) 11.102 12.810 ( 0.787 1.391 3.526) 3.871 12.873 ( -3.577 6.717 10.914) 13.305 13.271 ( 0.888 3.672 10.861) 11.500 13.404 ( -1.253 -0.736 1.598) 2.160 13.651 ( -1.171 -0.025 -13.239) 13.291 14.221 ( 2.254 -0.420 -10.543) 10.789 14.448 ( -1.871 2.999 -9.690) 10.314 14.668 ( 0.104 7.873 -11.299) 13.772 15.162 ( 0.712 -1.838 -9.504) 9.706 15.588 ( -0.467 3.186 -3.314) 4.621 15.719 ( 0.636 -0.339 6.803) 6.841 16.000 ( 0.513 -2.104 -2.071) 2.997 16.075 ( -1.428 -1.174 -8.980) 9.168 16.192 ( 0.677 2.209 -6.713) 7.099 16.363 ( -1.041 -0.047 -6.390) 6.474 16.531 ( 1.209 -1.979 4.351) 4.931 16.684 ( -0.323 -4.364 1.417) 4.600 ======================= Grid point 258 (64/90) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -12.124 -1.086 14.555) 18.974 2.352 ( -12.182 6.008 13.271) 18.991 2.548 ( 7.661 -0.000 1.697) 7.847 2.831 ( 8.722 4.149 3.818) 10.386 3.052 ( -0.397 -7.602 -4.335) 8.760 3.288 ( -2.814 2.951 0.462) 4.103 3.369 ( 0.177 -1.418 2.241) 2.658 3.507 ( 0.925 0.583 6.833) 6.920 3.864 ( -1.227 3.860 1.711) 4.397 4.113 ( -0.249 3.549 14.582) 15.010 4.176 ( -0.408 -8.024 1.590) 8.191 4.235 ( -2.307 1.017 3.539) 4.345 4.380 ( -1.946 2.551 7.961) 8.583 4.543 ( -1.352 1.628 -6.145) 6.499 4.579 ( 0.015 2.977 -15.728) 16.007 4.728 ( -1.765 1.787 -14.506) 14.722 4.790 ( -0.025 -0.025 -1.961) 1.961 4.930 ( -0.454 -2.179 -0.628) 2.312 5.225 ( 2.632 2.481 5.324) 6.436 5.474 ( -0.017 -0.221 1.654) 1.669 5.580 ( -0.232 0.352 6.677) 6.690 5.678 ( 0.556 1.682 8.731) 8.909 6.171 ( 0.511 -5.175 -5.634) 7.667 6.547 ( 0.285 1.286 -14.155) 14.216 8.778 ( 4.568 -0.050 7.519) 8.798 9.606 ( 6.760 1.343 -7.158) 9.937 9.860 ( 3.672 -4.675 6.969) 9.160 9.942 ( -3.363 5.147 -2.383) 6.594 10.064 ( -2.574 -4.618 4.166) 6.731 10.229 ( -8.096 -2.678 1.533) 8.665 10.377 ( 3.311 3.940 -1.383) 5.329 10.717 ( 3.228 -2.925 4.083) 5.971 10.888 ( -1.641 1.943 2.558) 3.607 11.110 ( 4.666 -3.250 -4.100) 7.011 12.008 ( -1.822 -3.316 27.246) 27.508 12.250 ( 5.935 -4.370 2.474) 7.774 12.654 ( -3.230 -9.815 -8.571) 13.425 12.757 ( -0.926 3.090 9.315) 9.858 12.910 ( 3.488 3.693 13.800) 14.705 13.232 ( -3.682 4.743 8.854) 10.698 13.409 ( 1.116 -1.132 5.719) 5.936 13.645 ( 0.680 -0.461 -14.333) 14.357 14.243 ( -0.129 -0.084 -10.430) 10.431 14.367 ( -6.344 2.877 -8.106) 10.688 14.624 ( -4.741 8.111 -10.381) 14.001 15.153 ( -1.250 -1.321 -11.849) 11.987 15.590 ( 0.751 3.073 -2.627) 4.112 15.754 ( 2.725 -0.052 6.368) 6.927 15.952 ( -8.719 -0.927 -7.618) 11.615 16.012 ( -0.086 -2.381 -2.515) 3.464 16.203 ( 0.222 2.586 -5.715) 6.277 16.315 ( -3.080 -0.333 -7.036) 7.688 16.607 ( 5.601 -2.314 4.243) 7.398 16.803 ( 11.030 -4.836 -0.099) 12.044 ======================= Grid point 259 (65/90) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -7.875 3.504 17.556) 19.558 2.107 ( -13.856 6.533 17.302) 23.109 2.686 ( 6.757 0.230 -2.077) 7.072 2.904 ( -1.019 1.577 -0.836) 2.055 3.045 ( -0.567 -8.895 -4.026) 9.780 3.264 ( 3.619 5.109 7.217) 9.554 3.400 ( 1.339 -2.584 -0.933) 3.056 3.515 ( -1.048 2.773 14.810) 15.104 3.799 ( -6.182 4.622 0.935) 7.775 4.024 ( -3.851 0.862 16.237) 16.710 4.185 ( 0.503 -7.183 3.158) 7.862 4.261 ( 1.561 1.509 1.751) 2.789 4.334 ( -2.552 3.451 6.289) 7.614 4.499 ( -1.987 1.735 -3.607) 4.468 4.591 ( 0.472 1.439 -18.017) 18.080 4.664 ( -3.187 1.326 -14.633) 15.035 4.818 ( 1.786 -0.968 -2.940) 3.573 4.920 ( -0.287 -0.786 -3.694) 3.788 5.286 ( 3.211 0.497 4.630) 5.656 5.470 ( -0.550 0.721 3.323) 3.444 5.572 ( -0.621 0.516 5.729) 5.785 5.690 ( 0.727 0.293 7.755) 7.795 6.179 ( 0.290 -2.668 -4.614) 5.338 6.556 ( 0.592 0.490 -15.248) 15.268 8.908 ( 8.849 -3.010 6.254) 11.246 9.708 ( -3.577 9.109 1.063) 9.843 9.773 ( 0.688 -8.058 -6.674) 10.486 9.969 ( -3.398 0.277 6.363) 7.218 10.095 ( 5.448 -1.447 3.783) 6.789 10.148 ( 2.780 -2.881 1.126) 4.159 10.405 ( -0.674 2.204 -3.923) 4.549 10.713 ( -3.879 0.277 -0.269) 3.898 10.874 ( 1.525 -0.623 7.652) 7.827 11.246 ( 8.540 -2.979 -3.725) 9.781 12.007 ( 2.155 -4.546 25.157) 25.655 12.328 ( 1.019 -3.568 5.965) 7.025 12.557 ( -4.638 1.215 -2.496) 5.405 12.786 ( 2.519 -6.485 6.807) 9.733 12.932 ( -1.536 4.166 11.806) 12.613 13.181 ( -1.418 5.070 6.805) 8.604 13.434 ( 1.510 -0.541 7.653) 7.820 13.681 ( 3.157 -0.819 -14.972) 15.323 14.195 ( -6.243 -2.433 -6.804) 9.549 14.244 ( -4.808 5.657 -7.740) 10.725 14.496 ( -8.477 8.786 -8.200) 14.707 15.138 ( 0.061 -1.306 -15.394) 15.450 15.608 ( 0.938 3.808 -3.252) 5.095 15.761 ( -6.706 -0.625 -4.456) 8.075 15.830 ( 1.111 -0.587 4.105) 4.293 16.022 ( 0.995 -1.990 -1.806) 2.865 16.199 ( -0.610 2.298 -6.748) 7.154 16.259 ( -2.778 0.374 -6.982) 7.524 16.722 ( 6.200 -3.387 5.264) 8.810 17.028 ( 11.746 -6.001 -2.265) 13.383 ======================= Grid point 263 (66/90) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 12.619 2.813 14.386) 19.341 2.244 ( 8.147 11.634 15.761) 21.216 2.682 ( -5.436 -6.497 1.568) 8.615 2.862 ( -1.728 4.365 0.242) 4.701 2.922 ( -1.758 0.253 -2.902) 3.402 3.316 ( -1.924 -1.567 2.659) 3.638 3.367 ( -0.626 -2.230 3.476) 4.177 3.600 ( 5.009 -1.427 8.835) 10.256 3.874 ( 2.334 6.725 5.011) 8.705 3.995 ( -3.552 -1.638 -0.804) 3.993 4.119 ( 1.905 2.831 13.309) 13.740 4.246 ( -2.409 -1.554 4.614) 5.432 4.407 ( 3.576 1.417 2.779) 4.745 4.529 ( 1.262 2.883 -7.299) 7.949 4.643 ( 3.421 3.010 -9.758) 10.770 4.686 ( 1.163 2.097 -11.072) 11.329 4.792 ( -1.041 -2.305 -6.922) 7.369 4.929 ( 1.234 0.814 -3.926) 4.195 5.312 ( 2.005 -0.100 2.460) 3.175 5.472 ( -0.429 -0.438 7.013) 7.040 5.585 ( 0.576 0.364 6.106) 6.144 5.694 ( -0.024 0.437 4.725) 4.745 6.112 ( -4.020 -3.561 -3.951) 6.667 6.565 ( 0.391 0.288 -13.987) 13.995 8.857 ( -2.426 -4.814 7.457) 9.202 9.591 ( -8.639 4.583 -8.753) 13.125 9.771 ( -2.734 -1.392 8.694) 9.219 10.048 ( -0.685 -12.167 -0.771) 12.211 10.098 ( 9.048 1.805 1.829) 9.406 10.150 ( 2.958 2.318 3.614) 5.214 10.424 ( -0.781 3.016 -3.354) 4.578 10.708 ( 0.387 -0.052 2.751) 2.779 10.841 ( -3.540 0.242 5.355) 6.424 11.177 ( -4.195 -6.861 -1.683) 8.215 11.928 ( -3.189 -2.568 11.014) 11.750 12.244 ( -4.493 0.843 10.427) 11.385 12.471 ( -7.174 -7.236 5.188) 11.434 12.778 ( 2.684 3.280 5.062) 6.602 13.023 ( 4.296 0.187 11.344) 12.132 13.228 ( 1.096 4.172 6.459) 7.767 13.441 ( 0.699 -1.901 8.244) 8.489 13.660 ( -1.422 -3.561 -19.432) 19.807 14.180 ( 0.735 5.486 -4.312) 7.017 14.379 ( 7.850 4.342 -9.239) 12.878 14.662 ( 8.309 8.377 -6.599) 13.519 15.109 ( -1.525 -0.519 -14.043) 14.135 15.684 ( 3.121 -0.663 -0.174) 3.195 15.737 ( -2.012 4.265 -1.957) 5.105 15.839 ( 2.743 0.533 -2.464) 3.726 15.997 ( -0.593 -1.649 -1.559) 2.345 16.221 ( 0.384 2.270 -6.497) 6.893 16.291 ( 2.651 0.828 -6.600) 7.161 16.635 ( -5.609 -5.137 3.759) 8.484 16.873 ( -9.924 -9.938 -0.765) 14.066 ======================= Grid point 264 (67/90) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 12.119 1.650 10.188) 15.918 2.410 ( 6.471 6.243 10.178) 13.581 2.493 ( -7.557 0.117 7.934) 10.958 2.857 ( -3.857 4.697 1.672) 6.303 2.959 ( 5.125 -1.014 -0.970) 5.314 3.239 ( -4.240 -2.290 2.768) 5.557 3.341 ( -1.640 -1.678 3.901) 4.553 3.647 ( -0.789 -1.613 3.658) 4.075 3.888 ( 1.395 3.429 4.275) 5.655 3.993 ( 1.262 -4.237 4.283) 6.155 4.135 ( -1.580 2.013 5.550) 6.112 4.234 ( 2.326 -0.518 6.780) 7.187 4.467 ( 2.710 1.154 -7.204) 7.783 4.544 ( 0.457 3.366 -7.046) 7.822 4.672 ( -0.010 2.811 -2.571) 3.810 4.722 ( 1.504 1.222 -7.977) 8.209 4.810 ( 3.237 0.672 -9.203) 9.779 4.945 ( 0.029 2.739 -1.837) 3.298 5.332 ( -0.768 2.841 1.347) 3.237 5.465 ( 0.071 0.401 9.269) 9.278 5.589 ( -0.067 0.383 8.091) 8.100 5.695 ( 0.448 0.466 3.063) 3.130 6.043 ( -3.068 -7.259 -4.409) 9.030 6.569 ( 0.065 0.715 -12.934) 12.954 8.812 ( -2.434 -0.717 9.039) 9.388 9.482 ( -2.461 2.850 -10.046) 10.729 9.705 ( -3.015 -2.349 8.778) 9.574 10.021 ( -1.479 -9.045 -2.040) 9.389 10.180 ( 2.256 3.749 5.613) 7.117 10.298 ( 6.056 -1.188 -1.671) 6.394 10.409 ( 1.645 3.911 1.164) 4.400 10.660 ( -8.547 -2.625 6.039) 10.789 10.802 ( 2.628 0.957 0.777) 2.903 11.097 ( -4.353 -5.733 0.530) 7.218 11.913 ( 2.048 -3.791 1.310) 4.503 12.154 ( -5.545 0.826 15.071) 16.080 12.384 ( -1.206 -12.208 6.119) 13.709 12.822 ( 1.582 2.575 4.950) 5.799 13.045 ( -1.650 2.711 9.190) 9.722 13.277 ( 4.067 4.218 10.041) 11.625 13.437 ( -1.319 -0.448 6.972) 7.110 13.633 ( -1.339 -4.002 -20.045) 20.485 14.212 ( 2.327 4.394 -4.896) 6.979 14.501 ( 4.302 4.454 -11.095) 12.706 14.789 ( 4.623 8.569 -6.356) 11.627 15.093 ( 0.196 -2.355 -10.687) 10.945 15.684 ( -2.847 -0.739 4.208) 5.134 15.718 ( 0.823 5.163 -2.081) 5.628 15.929 ( 4.649 -0.743 -7.517) 8.870 16.004 ( 2.019 -2.190 -1.841) 3.502 16.229 ( 0.546 2.676 -6.876) 7.399 16.343 ( 2.718 0.279 -5.452) 6.099 16.524 ( -5.720 -4.243 1.890) 7.368 16.683 ( -9.356 -7.979 1.213) 12.356 ======================= Grid point 265 (68/90) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -10.050 4.078 8.944) 14.058 2.420 ( 7.625 0.541 6.076) 9.765 2.653 ( 11.515 2.276 7.811) 14.099 2.720 ( -10.551 7.996 6.135) 14.591 2.977 ( -2.191 -3.256 1.048) 4.062 3.254 ( 4.679 -2.956 2.695) 6.156 3.321 ( -0.293 -1.377 4.128) 4.362 3.602 ( -2.969 0.143 2.309) 3.764 3.911 ( 0.515 2.272 2.556) 3.459 4.003 ( 0.118 -6.440 3.781) 7.469 4.134 ( 2.022 1.159 5.970) 6.409 4.269 ( 0.209 -1.133 4.519) 4.663 4.485 ( -1.293 2.395 -8.802) 9.213 4.564 ( 1.786 2.796 -9.427) 9.993 4.668 ( -0.119 1.365 -3.788) 4.028 4.730 ( -0.170 0.565 -10.006) 10.023 4.852 ( -1.232 3.188 -2.000) 3.959 4.940 ( 0.567 4.481 1.254) 4.687 5.296 ( -1.609 4.776 4.492) 6.751 5.467 ( -0.199 0.107 4.344) 4.350 5.588 ( 0.066 0.337 7.972) 7.979 5.712 ( 0.815 1.717 5.918) 6.216 6.009 ( -0.105 -9.704 -5.744) 11.277 6.569 ( -0.014 0.832 -12.492) 12.520 8.776 ( -0.989 1.439 8.937) 9.106 9.494 ( 3.176 0.884 -8.030) 8.681 9.690 ( 1.974 -3.426 6.075) 7.248 9.988 ( -2.385 -7.707 -1.549) 8.215 10.191 ( -1.416 6.040 4.932) 7.925 10.358 ( 1.527 0.603 -0.445) 1.701 10.387 ( -7.562 2.898 3.262) 8.730 10.572 ( 3.673 -3.126 1.885) 5.178 10.880 ( 4.186 -0.042 3.753) 5.622 11.016 ( -3.584 -6.225 -0.146) 7.185 12.003 ( 7.146 -4.597 -0.126) 8.498 12.042 ( -5.918 -1.293 17.346) 18.373 12.404 ( 1.911 -13.010 0.718) 13.169 12.835 ( -0.057 0.706 5.908) 5.950 13.006 ( -1.527 6.619 11.667) 13.501 13.343 ( 1.740 3.615 11.040) 11.746 13.399 ( -1.932 0.229 6.770) 7.044 13.614 ( -0.559 -3.447 -19.920) 20.224 14.252 ( 1.544 3.061 -6.063) 6.965 14.528 ( -1.318 5.420 -11.222) 12.532 14.826 ( -0.391 8.172 -8.105) 11.516 15.112 ( 1.067 -3.331 -8.503) 9.194 15.641 ( -1.231 0.519 3.883) 4.106 15.740 ( 1.513 4.380 -0.707) 4.687 15.965 ( 0.467 -1.458 -3.270) 3.611 16.043 ( -1.396 -2.073 -8.560) 8.918 16.239 ( 0.651 2.559 -5.980) 6.537 16.363 ( -1.979 0.079 -6.435) 6.733 16.478 ( 2.744 -3.606 3.124) 5.504 16.571 ( -1.048 -7.302 1.801) 7.593 ======================= Grid point 267 (69/90) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -7.647 8.003 11.879) 16.237 2.469 ( -10.955 6.245 13.767) 18.669 2.572 ( 4.413 0.016 -0.407) 4.432 2.841 ( 7.412 -0.887 1.419) 7.599 2.935 ( -2.180 -2.931 2.951) 4.696 3.309 ( 0.221 -1.447 4.151) 4.402 3.333 ( 1.483 -1.811 4.437) 5.016 3.573 ( 0.581 3.820 2.998) 4.891 3.922 ( 0.564 2.276 0.054) 2.346 3.998 ( -0.946 -8.393 2.466) 8.799 4.182 ( 1.196 2.502 7.248) 7.760 4.225 ( -3.352 -1.581 5.834) 6.912 4.442 ( -2.422 3.278 -0.040) 4.076 4.574 ( -1.277 1.516 -11.770) 11.935 4.667 ( -0.321 5.107 -6.560) 8.320 4.743 ( 1.964 -2.068 -6.540) 7.135 4.773 ( -5.545 1.835 -5.255) 7.857 4.947 ( -0.498 3.428 -0.646) 3.523 5.299 ( 1.230 5.043 4.514) 6.878 5.462 ( 0.049 -0.794 4.128) 4.204 5.589 ( -0.085 0.466 6.427) 6.445 5.709 ( -0.888 1.152 5.763) 5.943 6.043 ( 3.342 -7.866 -4.694) 9.751 6.568 ( -0.090 0.797 -12.875) 12.900 8.787 ( 2.310 0.751 7.939) 8.303 9.573 ( 4.302 -3.520 -6.241) 8.358 9.773 ( 4.676 -4.472 8.353) 10.566 9.924 ( -2.550 -4.433 -4.102) 6.556 10.143 ( -3.076 8.560 4.218) 10.026 10.218 ( -5.596 2.145 1.936) 6.298 10.432 ( 2.326 1.303 -1.920) 3.285 10.657 ( 4.219 -2.419 4.090) 6.354 10.883 ( -3.162 -2.830 3.589) 5.558 11.044 ( 6.251 -3.688 -0.530) 7.277 11.947 ( -3.714 -2.928 15.857) 16.547 12.159 ( 8.391 -3.817 2.457) 9.540 12.419 ( -0.112 -12.813 0.099) 12.814 12.824 ( -1.350 2.198 5.804) 6.351 13.005 ( 1.254 5.619 13.351) 14.540 13.305 ( -3.974 2.774 8.303) 9.614 13.408 ( 1.585 0.977 9.928) 10.101 13.617 ( 1.056 -2.427 -20.507) 20.677 14.254 ( -1.814 1.321 -5.583) 6.017 14.466 ( -4.601 6.826 -10.492) 13.336 14.784 ( -4.261 8.167 -7.313) 11.762 15.114 ( -0.662 -2.765 -11.216) 11.571 15.647 ( 1.720 1.564 3.195) 3.951 15.770 ( 1.226 2.786 0.536) 3.090 15.931 ( -7.834 -0.987 -8.067) 11.288 15.976 ( 0.470 -1.293 -2.896) 3.206 16.248 ( -0.307 2.020 -4.717) 5.140 16.317 ( -2.096 0.675 -7.090) 7.424 16.544 ( 4.070 -4.199 2.305) 6.286 16.677 ( 10.042 -8.159 0.912) 12.971 ======================= Grid point 273 (70/90) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 10.984 3.311 7.665) 13.797 2.472 ( -7.794 -0.308 2.341) 8.144 2.598 ( 6.586 9.683 10.883) 15.987 2.897 ( -1.100 0.370 4.814) 4.952 2.925 ( 7.206 -2.783 1.972) 7.972 3.225 ( -6.774 0.807 5.735) 8.913 3.305 ( -1.249 -2.449 6.105) 6.696 3.576 ( -3.382 -5.300 3.514) 7.203 3.912 ( 0.447 1.140 0.589) 1.359 3.965 ( 1.140 -0.252 1.135) 1.628 4.153 ( -3.245 -0.733 7.695) 8.383 4.240 ( 1.545 1.186 0.586) 2.035 4.499 ( 2.753 2.099 -7.720) 8.461 4.592 ( 0.430 1.713 -12.746) 12.867 4.675 ( -2.555 -2.423 -4.687) 5.862 4.725 ( 0.583 0.392 -6.703) 6.740 4.891 ( 7.852 6.545 -0.501) 10.234 5.008 ( 2.233 2.713 0.380) 3.535 5.384 ( 2.459 2.415 2.359) 4.176 5.465 ( 1.798 -0.381 9.205) 9.387 5.595 ( 0.088 0.130 7.509) 7.511 5.710 ( -0.712 1.639 1.309) 2.215 5.900 ( -6.696 -7.525 -3.213) 10.573 6.576 ( 0.117 0.120 -12.050) 12.052 8.796 ( 0.074 -0.649 8.886) 8.910 9.529 ( -0.316 1.566 -6.336) 6.534 9.683 ( -4.597 -0.865 12.434) 13.285 9.862 ( -2.206 -6.053 -7.924) 10.213 10.239 ( 3.654 2.663 4.079) 6.090 10.318 ( 4.275 3.830 0.208) 5.744 10.445 ( 2.304 -1.157 0.074) 2.579 10.605 ( -5.447 -3.278 5.731) 8.559 10.820 ( -1.250 1.758 1.964) 2.917 10.971 ( -4.261 -6.723 3.186) 8.573 11.916 ( 0.274 3.234 6.710) 7.454 12.128 ( -0.521 -6.389 -0.245) 6.415 12.209 ( -8.428 -3.327 6.442) 11.118 12.839 ( -0.271 -0.449 7.746) 7.764 13.085 ( 2.585 1.704 11.047) 11.473 13.353 ( 2.705 3.678 10.469) 11.421 13.426 ( 0.327 -0.829 10.878) 10.915 13.571 ( -2.079 -2.246 -23.446) 23.645 14.285 ( 1.704 2.682 -4.448) 5.467 14.587 ( 5.117 4.239 -12.676) 14.312 14.914 ( 5.233 4.267 -4.633) 8.189 15.059 ( -2.540 -1.070 -9.022) 9.434 15.638 ( -1.527 -2.266 8.012) 8.465 15.844 ( 2.849 4.697 -5.140) 7.523 15.935 ( 1.744 2.704 -8.921) 9.483 15.968 ( 1.070 -1.499 -2.904) 3.439 16.277 ( 1.074 2.218 -4.334) 4.985 16.340 ( 1.829 -0.735 -5.110) 5.477 16.451 ( -5.844 -2.846 -1.041) 6.583 16.523 ( -6.962 -8.274 2.584) 11.117 ======================= Grid point 274 (71/90) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -6.356 6.268 4.921) 10.193 2.412 ( 6.381 -1.169 3.303) 7.280 2.697 ( 1.860 3.251 9.746) 10.441 2.885 ( 0.504 3.677 4.333) 5.705 2.951 ( -5.828 5.306 5.721) 9.739 3.190 ( 4.766 -3.244 5.021) 7.645 3.284 ( -0.880 -3.662 5.633) 6.776 3.520 ( -0.699 -7.594 5.252) 9.260 3.945 ( 1.859 1.374 -0.117) 2.314 3.954 ( -2.384 0.966 0.950) 2.742 4.128 ( 0.884 -1.668 8.187) 8.402 4.255 ( -0.031 -0.486 -1.897) 1.959 4.528 ( -0.283 2.151 -8.816) 9.079 4.600 ( 0.725 1.111 -13.091) 13.158 4.645 ( -0.251 -2.720 -8.097) 8.545 4.730 ( -0.016 0.178 -6.103) 6.106 4.977 ( -0.644 7.679 1.999) 7.960 5.028 ( 0.415 3.584 2.432) 4.352 5.399 ( 0.413 6.218 4.729) 7.823 5.479 ( -1.471 1.102 6.247) 6.512 5.594 ( 0.075 0.226 8.300) 8.303 5.728 ( 2.054 0.025 2.832) 3.498 5.812 ( -1.266 -10.611 -4.905) 11.758 6.577 ( 0.003 0.077 -11.754) 11.755 8.793 ( -0.208 0.388 9.105) 9.116 9.544 ( 0.296 4.343 -3.888) 5.836 9.641 ( 1.365 -1.781 10.330) 10.570 9.830 ( -1.144 -8.502 -8.098) 11.797 10.276 ( -0.766 4.506 3.043) 5.491 10.374 ( 4.015 0.444 -1.438) 4.288 10.449 ( -8.677 1.306 4.100) 9.685 10.531 ( 4.782 -0.520 4.496) 6.584 10.857 ( 2.992 -2.057 4.027) 5.422 10.889 ( -2.995 -5.982 2.091) 7.009 11.961 ( 2.803 0.301 8.003) 8.485 12.044 ( -3.669 1.048 1.267) 4.020 12.181 ( 1.515 -10.064 0.854) 10.213 12.831 ( -0.092 -0.870 9.551) 9.591 13.105 ( -0.215 3.671 10.545) 11.168 13.399 ( 1.455 2.190 11.404) 11.703 13.411 ( -1.537 0.835 10.666) 10.809 13.550 ( -0.015 -2.799 -23.740) 23.904 14.306 ( 0.263 2.217 -4.658) 5.166 14.635 ( -0.243 5.244 -13.763) 14.730 14.955 ( -0.587 5.141 -5.245) 7.368 15.045 ( 0.747 -3.430 -6.283) 7.197 15.617 ( -0.202 -1.782 8.395) 8.585 15.866 ( 0.407 7.107 -6.039) 9.336 15.950 ( 0.463 0.241 -4.170) 4.203 16.006 ( -0.867 -1.640 -9.179) 9.364 16.286 ( 0.563 2.323 -3.074) 3.894 16.353 ( -3.216 -2.918 -3.847) 5.802 16.398 ( 4.665 -3.423 0.838) 5.846 16.442 ( -1.893 -5.207 -0.071) 5.541 ======================= Grid point 287 (72/90) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 0.000 0.000 2.188) 2.188 2.398 ( 0.000 0.000 2.188) 2.188 2.735 ( 0.000 0.000 10.286) 10.286 2.883 ( -0.000 0.000 9.450) 9.450 3.139 ( 0.000 -0.000 -0.075) 0.075 3.153 ( -0.000 -0.000 5.398) 5.398 3.153 ( -0.000 0.000 5.398) 5.398 3.430 ( 0.000 0.000 10.860) 10.860 3.968 ( 0.000 -0.000 -0.801) 0.801 3.968 ( 0.000 -0.000 -0.801) 0.801 4.102 ( 0.000 0.000 9.589) 9.589 4.250 ( 0.000 0.000 -4.713) 4.713 4.555 ( -0.000 -0.000 -3.089) 3.089 4.610 ( 0.000 -0.000 -14.989) 14.989 4.610 ( 0.000 0.000 -14.989) 14.989 4.732 ( 0.000 -0.000 -5.072) 5.072 5.061 ( 0.000 -0.000 3.605) 3.605 5.061 ( 0.000 0.000 3.605) 3.605 5.495 ( -0.000 -0.000 7.391) 7.391 5.495 ( 0.000 0.000 7.391) 7.391 5.596 ( 0.000 0.000 8.561) 8.561 5.666 ( 0.000 0.000 -8.132) 8.132 5.728 ( 0.000 0.000 1.647) 1.647 6.577 ( 0.000 0.000 -11.510) 11.510 8.795 ( 0.000 -0.000 9.124) 9.124 9.624 ( 0.000 0.000 12.429) 12.429 9.624 ( 0.000 0.000 12.429) 12.429 9.711 ( -0.000 -0.000 -25.729) 25.729 10.376 ( -0.000 -0.000 -2.294) 2.294 10.376 ( -0.000 0.000 -2.294) 2.294 10.388 ( 0.000 -0.000 7.446) 7.446 10.549 ( 0.000 0.000 9.490) 9.490 10.830 ( 0.000 0.000 2.377) 2.377 10.830 ( 0.000 0.000 2.377) 2.377 11.990 ( 0.000 -0.000 18.116) 18.116 12.059 ( 0.000 0.000 -5.251) 5.251 12.059 ( 0.000 0.000 -5.251) 5.251 12.819 ( 0.000 0.000 11.432) 11.432 13.140 ( -0.000 0.000 9.794) 9.794 13.421 ( 0.000 0.000 12.104) 12.104 13.421 ( 0.000 0.000 12.104) 12.104 13.522 ( 0.000 0.000 -25.343) 25.343 14.328 ( 0.000 0.000 -4.651) 4.651 14.692 ( 0.000 0.000 -15.901) 15.901 15.006 ( 0.000 0.000 -4.171) 4.171 15.006 ( 0.000 0.000 -4.171) 4.171 15.598 ( 0.000 0.000 8.915) 8.915 15.922 ( 0.000 -0.000 -4.171) 4.171 15.989 ( -0.000 0.000 -9.623) 9.623 15.989 ( 0.000 0.000 -9.623) 9.623 16.269 ( 0.000 0.000 5.059) 5.059 16.331 ( 0.000 0.000 2.178) 2.178 16.383 ( -0.000 0.000 -5.109) 5.109 16.383 ( 0.000 0.000 -5.109) 5.109 ======================= Grid point 324 (73/90) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.000 0.000 10.379) 10.379 1.924 ( 0.000 0.000 10.379) 10.379 2.756 ( 0.000 0.000 -4.536) 4.536 2.756 ( 0.000 0.000 -4.536) 4.536 3.365 ( 0.000 0.000 4.836) 4.836 3.425 ( -0.000 0.000 -1.481) 1.481 3.509 ( 0.000 0.000 6.040) 6.040 3.509 ( 0.000 -0.000 6.040) 6.040 3.850 ( -0.000 0.000 16.973) 16.973 4.013 ( 0.000 0.000 -9.268) 9.268 4.013 ( -0.000 0.000 -9.268) 9.268 4.086 ( 0.000 0.000 -9.043) 9.043 4.374 ( 0.000 -0.000 -3.229) 3.229 4.374 ( 0.000 0.000 -3.229) 3.229 4.489 ( 0.000 0.000 11.455) 11.455 4.564 ( 0.000 0.000 2.617) 2.617 4.814 ( -0.000 0.000 -1.505) 1.505 4.862 ( -0.000 0.000 -4.810) 4.810 5.528 ( 0.000 -0.000 3.460) 3.460 5.528 ( 0.000 0.000 3.460) 3.460 5.620 ( 0.000 0.000 7.612) 7.612 5.754 ( 0.000 0.000 -2.725) 2.725 6.134 ( 0.000 0.000 0.152) 0.152 6.252 ( 0.000 0.000 -13.023) 13.023 9.416 ( 0.000 0.000 -1.435) 1.435 9.416 ( 0.000 0.000 -1.435) 1.435 9.713 ( 0.000 0.000 13.090) 13.090 9.987 ( 0.000 0.000 -14.696) 14.696 10.150 ( 0.000 0.000 2.336) 2.336 10.150 ( -0.000 0.000 2.336) 2.336 10.566 ( 0.000 0.000 0.933) 0.933 10.566 ( 0.000 0.000 0.933) 0.933 11.190 ( -0.000 0.000 11.058) 11.058 11.384 ( -0.000 0.000 -8.370) 8.370 12.298 ( 0.000 0.000 -0.995) 0.995 12.298 ( 0.000 0.000 -0.995) 0.995 12.845 ( 0.000 0.000 23.999) 23.999 12.960 ( 0.000 0.000 11.570) 11.570 13.210 ( 0.000 0.000 4.294) 4.294 13.210 ( 0.000 0.000 4.294) 4.294 13.444 ( -0.000 0.000 -8.393) 8.393 13.485 ( -0.000 0.000 -14.870) 14.870 13.989 ( 0.000 0.000 -1.986) 1.986 13.989 ( 0.000 0.000 -1.986) 1.986 14.248 ( 0.000 0.000 17.701) 17.701 14.712 ( 0.000 0.000 -25.712) 25.712 15.523 ( 0.000 0.000 -1.696) 1.696 15.523 ( 0.000 0.000 -1.696) 1.696 16.015 ( 0.000 0.000 -3.614) 3.614 16.015 ( 0.000 0.000 -3.614) 3.614 16.039 ( 0.000 0.000 5.174) 5.174 16.107 ( 0.000 0.000 -1.719) 1.719 17.056 ( -0.000 0.000 8.110) 8.110 17.217 ( -0.000 0.000 -7.855) 7.855 ======================= Grid point 325 (74/90) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 5.941 5.201 10.449) 13.097 2.037 ( 10.886 -4.617 9.925) 15.438 2.725 ( -2.911 0.089 -3.709) 4.716 2.745 ( -0.745 -0.002 -5.349) 5.401 3.246 ( -8.028 -0.260 5.294) 9.620 3.342 ( -6.061 -5.128 -1.905) 8.164 3.517 ( -0.564 6.834 4.341) 8.116 3.640 ( 6.956 -0.741 6.038) 9.241 3.848 ( 0.817 1.813 10.544) 10.730 4.041 ( 3.572 -8.232 -8.082) 12.076 4.072 ( 6.356 4.741 -6.062) 9.981 4.146 ( 4.198 0.074 -6.864) 8.046 4.358 ( -1.472 -0.445 -3.527) 3.848 4.396 ( 2.066 0.773 -2.190) 3.109 4.479 ( -0.973 0.037 11.996) 12.035 4.560 ( -0.223 0.078 3.234) 3.242 4.789 ( -3.324 -0.640 -3.116) 4.600 4.856 ( 0.421 0.495 -4.294) 4.342 5.461 ( -4.701 -0.546 3.954) 6.167 5.502 ( -2.157 0.706 0.733) 2.385 5.683 ( 4.279 0.455 8.347) 9.391 5.789 ( 3.078 -0.409 0.229) 3.114 6.128 ( -0.551 -0.062 -0.688) 0.883 6.242 ( -1.053 0.015 -13.517) 13.558 9.279 ( -10.780 5.669 2.171) 12.371 9.424 ( 0.549 -9.715 -2.024) 9.939 9.813 ( 5.153 6.938 4.258) 9.634 10.000 ( 3.501 -3.751 -3.928) 6.462 10.157 ( 0.578 -0.073 2.522) 2.589 10.191 ( 3.304 0.571 -2.310) 4.072 10.482 ( -7.875 6.088 0.571) 9.971 10.570 ( 0.702 -5.858 0.507) 5.922 11.153 ( -3.783 0.360 9.889) 10.594 11.323 ( -5.917 0.266 -7.252) 9.364 12.280 ( -1.433 -6.895 0.874) 7.097 12.345 ( 4.332 6.279 -2.801) 8.127 12.832 ( -1.534 -0.063 25.266) 25.313 13.010 ( 4.757 0.342 9.879) 10.970 13.150 ( -5.060 3.966 2.092) 6.761 13.197 ( -1.139 -4.944 4.330) 6.670 13.451 ( 0.465 0.625 -6.616) 6.661 13.492 ( 0.048 0.400 -12.729) 12.735 13.996 ( 0.549 -1.142 -3.003) 3.260 14.030 ( 4.452 0.916 -2.076) 4.997 14.301 ( 4.250 0.069 14.201) 14.824 14.732 ( 2.723 -0.045 -22.964) 23.125 15.521 ( -0.181 0.090 -1.627) 1.639 15.557 ( 3.576 -0.102 -2.382) 4.298 15.970 ( -3.119 -0.722 0.443) 3.232 16.017 ( 0.171 1.578 -3.266) 3.631 16.068 ( 1.523 -1.291 1.647) 2.588 16.124 ( 1.777 0.467 -2.323) 2.962 17.007 ( -5.044 -0.015 7.657) 9.169 17.157 ( -6.165 -0.006 -7.194) 9.474 ======================= Grid point 326 (75/90) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 10.205 8.745 10.827) 17.258 2.263 ( 10.908 -4.878 7.237) 13.970 2.673 ( -1.931 2.197 -0.639) 2.994 2.754 ( 2.406 -3.202 -6.551) 7.679 3.100 ( -7.562 -4.764 6.369) 10.975 3.229 ( -5.551 -3.165 -5.278) 8.288 3.487 ( -2.205 4.023 3.515) 5.779 3.684 ( -0.722 6.627 2.399) 7.085 3.911 ( 4.060 0.473 10.024) 10.826 4.139 ( 5.277 -3.592 -12.536) 14.067 4.195 ( 5.339 -1.333 0.976) 5.588 4.211 ( 2.903 -1.064 -3.600) 4.745 4.345 ( 0.656 -2.777 -6.786) 7.362 4.417 ( -0.922 2.476 -0.673) 2.726 4.457 ( -0.953 -0.133 12.885) 12.921 4.581 ( 2.900 1.363 5.888) 6.704 4.705 ( -4.317 -1.603 -6.833) 8.240 4.887 ( 2.621 0.609 -3.179) 4.165 5.380 ( -3.698 -0.284 4.528) 5.853 5.464 ( -1.752 1.254 -2.679) 3.438 5.752 ( 3.005 1.321 11.110) 11.585 5.847 ( 2.642 -1.042 5.243) 5.963 6.115 ( -0.820 -0.432 -3.162) 3.295 6.216 ( -1.520 0.106 -15.217) 15.293 9.078 ( -9.842 5.137 3.783) 11.729 9.419 ( -1.434 -13.084 -3.714) 13.677 9.844 ( -0.102 7.467 -1.119) 7.551 10.120 ( 5.837 -2.874 4.408) 7.859 10.166 ( 0.383 -0.223 1.897) 1.949 10.217 ( -1.937 2.757 -2.356) 4.112 10.353 ( -2.654 9.007 -0.665) 9.413 10.615 ( 4.704 -8.271 -1.063) 9.574 11.055 ( -6.685 0.110 7.324) 9.916 11.192 ( -7.059 1.679 -5.179) 8.915 12.263 ( -0.022 -9.765 3.792) 10.475 12.431 ( 4.261 6.604 -6.664) 10.304 12.781 ( -3.952 2.050 25.640) 26.024 13.061 ( -3.641 3.976 3.711) 6.545 13.102 ( 3.334 -1.752 9.549) 10.264 13.188 ( 1.539 -4.640 1.751) 5.193 13.450 ( -0.975 -1.350 -4.441) 4.743 13.482 ( -0.693 3.866 -10.101) 10.838 14.001 ( -0.181 -1.577 -5.597) 5.817 14.142 ( 6.734 1.001 -2.635) 7.300 14.359 ( 1.607 0.066 3.597) 3.940 14.833 ( 7.705 -0.144 -12.905) 15.030 15.517 ( -0.184 0.123 -1.301) 1.320 15.651 ( 6.132 -0.241 -4.308) 7.498 15.909 ( -3.274 -0.865 1.784) 3.828 16.020 ( 0.168 2.495 -2.463) 3.510 16.092 ( 1.093 -2.709 0.667) 2.996 16.170 ( 3.025 1.329 -2.649) 4.235 16.878 ( -8.146 -0.166 6.393) 10.356 17.000 ( -10.002 0.018 -5.461) 11.395 ======================= Grid point 327 (76/90) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 7.032 4.124 9.165) 12.266 2.413 ( 7.564 4.575 2.048) 9.074 2.660 ( 0.205 0.873 2.114) 2.296 2.819 ( 1.331 -5.946 4.309) 7.463 2.968 ( -4.737 -5.683 -0.412) 7.410 3.145 ( -3.308 -0.735 -8.012) 8.699 3.452 ( -1.110 0.360 2.331) 2.607 3.670 ( -0.258 6.571 4.375) 7.899 3.965 ( 1.951 -0.207 7.650) 7.897 4.193 ( 1.498 1.677 -11.457) 11.676 4.213 ( -0.025 -0.457 -2.052) 2.102 4.304 ( 0.994 -2.374 1.823) 3.153 4.331 ( -4.418 0.144 -0.241) 4.427 4.388 ( 2.864 -4.595 3.566) 6.483 4.468 ( 1.097 0.714 -1.896) 2.305 4.603 ( -1.104 0.458 -1.602) 1.999 4.707 ( 4.110 0.124 0.612) 4.157 4.944 ( 2.989 -0.087 -1.248) 3.240 5.323 ( -2.365 0.420 5.752) 6.234 5.438 ( -0.933 1.035 -4.682) 4.885 5.795 ( 1.579 1.107 14.488) 14.616 5.879 ( 0.820 -0.583 9.855) 9.906 6.101 ( -0.615 -0.724 -6.246) 6.318 6.191 ( -0.999 0.164 -17.829) 17.858 8.928 ( -5.769 2.838 4.510) 7.853 9.374 ( -2.785 -7.364 -5.249) 9.462 9.834 ( -0.907 -1.177 -0.781) 1.679 10.089 ( -3.415 6.540 3.942) 8.365 10.195 ( 0.644 2.389 0.384) 2.504 10.220 ( 0.766 -4.500 -1.930) 4.956 10.390 ( 5.473 8.331 1.713) 10.114 10.729 ( 5.898 -5.692 -1.343) 8.306 10.900 ( -8.862 -3.680 3.531) 10.225 11.091 ( -3.553 3.942 -2.556) 5.891 12.280 ( 1.505 -7.474 5.483) 9.391 12.494 ( 2.421 1.943 -9.929) 10.403 12.692 ( -4.850 5.316 21.889) 23.042 13.022 ( -0.838 2.184 9.976) 10.246 13.115 ( -0.396 -5.563 11.977) 13.212 13.266 ( 5.027 1.167 -2.484) 5.727 13.414 ( -2.555 -2.839 -5.371) 6.591 13.471 ( -0.622 4.319 -5.997) 7.416 13.989 ( -0.811 -1.094 -8.246) 8.358 14.255 ( 4.617 0.677 -2.904) 5.497 14.373 ( 0.288 -0.083 -4.155) 4.166 14.981 ( 6.693 -0.103 -5.209) 8.482 15.515 ( -0.034 0.064 -0.669) 0.673 15.770 ( 5.719 -0.417 -7.082) 9.112 15.853 ( -2.440 -0.580 2.447) 3.504 16.021 ( -0.091 2.353 -1.276) 2.678 16.110 ( 0.844 -2.555 -0.365) 2.716 16.237 ( 3.927 1.467 -2.118) 4.696 16.723 ( -7.654 -0.670 4.548) 8.929 16.812 ( -8.766 0.299 -3.043) 9.284 ======================= Grid point 328 (77/90) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 0.000 0.000 1.952) 1.952 2.549 ( -0.000 -0.000 4.766) 4.766 2.659 ( 0.000 0.000 5.704) 5.704 2.764 ( 0.000 0.000 11.599) 11.599 2.958 ( 0.000 -0.000 -7.914) 7.914 3.110 ( 0.000 -0.000 -7.463) 7.463 3.445 ( 0.000 0.000 0.129) 0.129 3.671 ( 0.000 0.000 7.940) 7.940 3.987 ( 0.000 0.000 5.845) 5.845 4.209 ( 0.000 -0.000 -11.018) 11.018 4.231 ( 0.000 -0.000 -6.334) 6.334 4.240 ( 0.000 0.000 5.508) 5.508 4.302 ( 0.000 -0.000 3.465) 3.465 4.435 ( 0.000 -0.000 1.610) 1.610 4.481 ( 0.000 0.000 -5.719) 5.719 4.590 ( 0.000 0.000 -1.562) 1.562 4.756 ( 0.000 0.000 0.764) 0.764 4.977 ( 0.000 -0.000 0.326) 0.326 5.298 ( 0.000 -0.000 6.628) 6.628 5.429 ( 0.000 0.000 -5.370) 5.370 5.811 ( 0.000 0.000 16.392) 16.392 5.885 ( 0.000 0.000 11.473) 11.473 6.094 ( 0.000 -0.000 -7.639) 7.639 6.182 ( 0.000 -0.000 -19.165) 19.165 8.872 ( 0.000 0.000 4.778) 4.778 9.343 ( 0.000 -0.000 -5.779) 5.779 9.822 ( 0.000 -0.000 -1.652) 1.652 10.059 ( 0.000 -0.000 5.377) 5.377 10.209 ( -0.000 -0.000 -1.357) 1.357 10.212 ( 0.000 0.000 -0.364) 0.364 10.474 ( -0.000 -0.000 0.628) 0.628 10.755 ( 0.000 0.000 4.654) 4.654 10.825 ( 0.000 0.000 -2.367) 2.367 11.056 ( 0.000 -0.000 -2.130) 2.130 12.299 ( 0.000 -0.000 5.841) 5.841 12.520 ( 0.000 0.000 -11.925) 11.925 12.636 ( 0.000 -0.000 20.958) 20.958 13.016 ( 0.000 -0.000 12.889) 12.889 13.111 ( 0.000 -0.000 12.816) 12.816 13.339 ( 0.000 0.000 -4.878) 4.878 13.366 ( -0.000 -0.000 -4.531) 4.531 13.463 ( 0.000 0.000 -4.872) 4.872 13.980 ( 0.000 -0.000 -9.280) 9.280 14.300 ( 0.000 -0.000 -2.946) 2.946 14.376 ( 0.000 0.000 -6.234) 6.234 15.049 ( 0.000 -0.000 -3.143) 3.143 15.515 ( 0.000 0.000 -0.263) 0.263 15.828 ( -0.000 0.000 2.863) 2.863 15.831 ( 0.000 -0.000 -9.173) 9.173 16.019 ( 0.000 0.000 -0.198) 0.198 16.119 ( 0.000 -0.000 -1.049) 1.049 16.287 ( 0.000 0.000 -1.747) 1.747 16.635 ( 0.000 0.000 3.263) 3.263 16.721 ( 0.000 -0.000 -1.270) 1.270 ======================= Grid point 334 (78/90) ======================= q-point: ( 0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 6.756 0.687 9.514) 11.689 2.166 ( 8.859 12.771 11.056) 19.074 2.674 ( -2.353 -2.677 -5.376) 6.450 2.783 ( 1.478 1.632 -4.291) 4.823 3.118 ( -9.571 -6.526 3.723) 12.167 3.344 ( -6.777 0.235 -2.623) 7.271 3.551 ( 6.374 -3.828 10.512) 12.875 3.698 ( 6.603 3.839 0.483) 7.654 3.821 ( -0.251 -3.372 8.401) 9.056 3.983 ( -3.686 3.307 -7.664) 9.124 4.175 ( 3.058 4.886 -4.320) 7.203 4.200 ( 5.544 5.661 -7.926) 11.208 4.370 ( -1.769 1.360 -1.630) 2.763 4.410 ( 5.069 1.166 -2.459) 5.753 4.472 ( -0.550 -0.614 12.927) 12.953 4.552 ( -0.275 -0.763 3.871) 3.955 4.782 ( -3.259 -0.374 -2.828) 4.331 4.835 ( 0.206 -2.087 -5.508) 5.894 5.399 ( -3.501 -3.265 1.975) 5.179 5.554 ( 1.582 0.653 3.110) 3.550 5.655 ( 0.034 -0.709 3.599) 3.668 5.829 ( 2.524 3.206 5.854) 7.135 6.125 ( -0.583 -0.353 -1.099) 1.293 6.236 ( -0.512 -0.563 -14.243) 14.264 9.178 ( -4.280 -10.776 2.472) 11.856 9.475 ( -7.583 10.503 -2.481) 13.190 9.820 ( 10.211 -7.275 0.189) 12.539 10.019 ( -1.624 6.494 2.543) 7.161 10.170 ( 1.006 1.111 2.788) 3.166 10.229 ( 3.857 3.066 -4.619) 6.753 10.380 ( -4.118 -12.845 0.618) 13.503 10.603 ( -1.420 6.080 0.083) 6.244 11.123 ( -2.755 -3.785 9.027) 10.169 11.283 ( -3.668 -4.517 -6.274) 8.557 12.157 ( -8.595 -3.287 -1.248) 9.286 12.473 ( 7.937 4.815 -0.892) 9.326 12.799 ( -2.497 -2.964 24.249) 24.556 13.021 ( -0.981 -2.328 10.606) 10.903 13.099 ( 0.683 -1.082 2.706) 2.993 13.230 ( -1.318 3.883 2.067) 4.592 13.422 ( -1.213 -2.683 -9.921) 10.348 13.514 ( 1.661 0.315 -6.854) 7.060 14.019 ( 0.062 3.817 -1.438) 4.079 14.055 ( 4.827 1.628 -4.070) 6.520 14.370 ( 5.997 5.848 12.562) 15.098 14.741 ( 1.533 1.684 -21.847) 21.965 15.553 ( 3.210 -0.154 -2.369) 3.992 15.557 ( 0.021 3.438 -2.152) 4.056 15.956 ( -2.863 -0.941 1.138) 3.222 16.002 ( 1.089 -2.157 -1.861) 3.050 16.082 ( -0.269 2.152 -0.539) 2.234 16.141 ( 2.342 1.117 -2.025) 3.291 16.959 ( -4.978 -4.912 7.070) 9.945 17.102 ( -5.720 -5.706 -6.445) 10.335 ======================= Grid point 335 (79/90) ======================= q-point: ( 0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 11.119 -2.082 7.823) 13.754 2.355 ( 10.989 11.135 13.252) 20.503 2.668 ( 2.276 -0.214 -7.637) 7.972 2.774 ( -3.484 3.137 -3.584) 5.901 2.956 ( -6.090 -6.313 6.029) 10.644 3.229 ( -5.001 1.088 -5.430) 7.462 3.542 ( -5.041 1.128 6.372) 8.202 3.810 ( 1.074 1.830 7.092) 7.402 3.876 ( 3.654 0.082 3.672) 5.181 3.993 ( 8.098 -7.640 -6.175) 12.731 4.195 ( -0.244 0.619 -4.931) 4.975 4.270 ( 0.689 3.588 -7.914) 8.717 4.354 ( 0.564 3.789 -1.081) 3.980 4.457 ( 0.194 0.174 7.537) 7.541 4.470 ( -1.080 2.400 2.052) 3.337 4.607 ( 6.500 2.027 8.197) 10.656 4.683 ( -5.727 -0.300 -7.247) 9.242 4.868 ( 2.624 -2.223 -4.601) 5.745 5.353 ( -1.413 -1.351 1.968) 2.774 5.531 ( -2.557 4.379 0.178) 5.074 5.707 ( 3.897 -4.861 5.524) 8.327 5.868 ( 1.644 2.030 10.533) 10.852 6.100 ( -2.139 -1.116 -2.265) 3.310 6.228 ( -0.250 1.025 -15.884) 15.919 9.104 ( -4.553 -5.566 7.671) 10.514 9.301 ( -7.598 3.461 -8.949) 12.238 9.936 ( -4.081 1.126 4.718) 6.339 10.042 ( 7.016 -1.726 -3.444) 8.004 10.195 ( 1.416 2.002 3.965) 4.662 10.261 ( -0.923 1.423 -2.716) 3.202 10.372 ( 4.227 -11.223 2.602) 12.272 10.588 ( 1.628 9.328 -2.454) 9.782 11.027 ( -8.380 -3.066 5.369) 10.414 11.205 ( -3.975 -0.921 -2.769) 4.931 12.045 ( -2.666 -9.788 -0.492) 10.157 12.537 ( -1.297 1.312 -1.950) 2.685 12.782 ( 0.577 -1.245 25.010) 25.047 12.979 ( -1.575 -7.315 9.966) 12.462 13.112 ( -2.113 2.270 -2.952) 4.282 13.237 ( 4.081 5.976 4.568) 8.558 13.394 ( -2.073 -4.018 -9.233) 10.280 13.540 ( 0.883 1.309 -3.460) 3.803 14.020 ( -0.107 4.035 -2.792) 4.908 14.170 ( 6.732 1.786 -4.318) 8.195 14.459 ( 2.609 9.220 3.722) 10.280 14.821 ( 7.078 -0.833 -13.085) 14.900 15.552 ( -0.297 3.487 -1.442) 3.785 15.642 ( 5.840 -0.643 -4.442) 7.366 15.895 ( -3.260 -0.652 1.622) 3.699 16.031 ( 1.659 -2.865 -0.413) 3.336 16.071 ( -0.648 2.111 -2.017) 2.990 16.196 ( 3.372 1.377 -1.819) 4.071 16.831 ( -8.211 -4.699 5.383) 10.885 16.956 ( -9.258 -4.580 -4.403) 11.228 ======================= Grid point 336 (80/90) ======================= q-point: ( 0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 4.987 0.781 5.033) 7.128 2.577 ( 11.962 4.575 12.432) 17.848 2.627 ( -9.189 -3.141 1.020) 9.765 2.779 ( 6.702 4.486 -2.535) 8.454 2.897 ( -1.629 -0.144 0.715) 1.784 3.155 ( -2.936 1.469 -6.980) 7.714 3.440 ( -4.135 -1.469 2.482) 5.041 3.785 ( -2.866 3.014 8.367) 9.344 3.932 ( 2.812 -1.599 1.671) 3.641 4.152 ( 3.576 -6.725 0.819) 7.660 4.201 ( 2.157 0.296 -6.998) 7.329 4.275 ( 2.159 -0.683 -10.549) 10.789 4.332 ( -3.524 1.171 7.889) 8.719 4.400 ( -3.332 3.418 3.652) 6.010 4.499 ( 1.920 2.303 -3.215) 4.396 4.608 ( -1.547 0.358 -5.923) 6.132 4.730 ( 5.318 3.158 5.076) 8.001 4.921 ( 2.835 -1.805 -2.240) 4.039 5.337 ( -0.647 1.010 3.269) 3.482 5.482 ( -2.480 3.215 -2.359) 4.696 5.769 ( 2.301 -3.269 10.395) 11.137 5.896 ( 1.453 1.368 12.731) 12.887 6.049 ( -2.871 -3.450 -5.667) 7.229 6.227 ( 0.120 2.529 -16.850) 17.040 8.986 ( -6.823 2.548 7.728) 10.619 9.246 ( 1.074 -4.756 -9.393) 10.583 9.837 ( -4.824 1.064 2.441) 5.510 10.108 ( 0.814 -4.892 -2.307) 5.470 10.208 ( -0.898 4.655 3.142) 5.688 10.246 ( 0.848 1.556 -1.117) 2.095 10.504 ( 7.258 -2.788 6.915) 10.405 10.656 ( 2.922 4.289 -5.860) 7.828 10.830 ( -9.048 -3.319 2.292) 9.907 11.138 ( -3.611 0.532 -0.657) 3.708 12.063 ( 4.242 -12.391 1.423) 13.174 12.472 ( -4.548 -4.833 -1.018) 6.714 12.771 ( -2.071 -0.299 20.436) 20.543 12.981 ( 0.667 -4.276 10.001) 10.897 13.073 ( -0.372 2.843 1.393) 3.187 13.326 ( 2.369 1.332 -3.567) 4.485 13.353 ( -0.164 -1.028 -5.334) 5.435 13.539 ( -1.108 2.391 -0.466) 2.676 14.016 ( -0.152 4.407 -5.453) 7.013 14.279 ( 4.236 1.771 -4.021) 6.103 14.482 ( 0.422 10.191 -4.087) 10.988 14.965 ( 6.785 -1.385 -4.736) 8.390 15.546 ( -0.242 3.209 -0.821) 3.321 15.756 ( 5.527 -1.039 -6.562) 8.642 15.843 ( -1.972 -0.500 1.981) 2.839 16.033 ( -1.659 -2.265 -0.454) 2.844 16.088 ( 2.535 1.370 -1.906) 3.455 16.263 ( 3.368 1.268 -1.542) 3.915 16.674 ( -7.502 -4.363 3.280) 9.277 16.782 ( -8.287 -3.479 -1.817) 9.170 ======================= Grid point 337 (81/90) ======================= q-point: (-0.50 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -3.668 -0.495 6.250) 7.263 2.458 ( -4.591 -1.901 -0.891) 5.049 2.740 ( -0.375 3.677 8.891) 9.628 2.826 ( 3.094 1.346 8.189) 8.857 2.944 ( 5.448 3.035 -4.132) 7.481 3.136 ( 1.596 2.793 -8.512) 9.100 3.415 ( 0.983 -2.861 0.713) 3.108 3.704 ( -5.873 2.112 8.457) 10.511 3.965 ( 0.496 -1.418 2.879) 3.247 4.163 ( -1.505 -4.542 -4.723) 6.723 4.220 ( -0.298 -0.176 -6.367) 6.376 4.261 ( 0.056 1.521 2.829) 3.213 4.328 ( 1.086 0.259 1.046) 1.530 4.416 ( 4.118 -0.510 -1.940) 4.581 4.520 ( 0.590 2.311 -3.199) 3.990 4.598 ( -0.401 1.434 -0.694) 1.642 4.775 ( -0.967 2.585 -0.854) 2.889 4.963 ( 0.978 -0.604 1.473) 1.869 5.324 ( -0.434 2.484 5.712) 6.244 5.444 ( -1.290 1.497 -4.378) 4.803 5.785 ( -0.691 -2.040 13.200) 13.375 5.914 ( -0.032 2.209 13.348) 13.530 6.021 ( 0.732 -5.839 -8.487) 10.328 6.230 ( 0.054 3.109 -16.968) 17.251 8.893 ( -2.576 2.099 5.212) 6.181 9.313 ( 5.812 -2.758 -6.905) 9.437 9.794 ( 0.851 -1.567 0.139) 1.789 10.112 ( -0.424 -2.847 1.415) 3.207 10.163 ( -3.472 5.813 2.687) 7.284 10.288 ( 2.690 3.363 -1.052) 4.433 10.445 ( -11.995 -2.294 1.234) 12.274 10.699 ( 5.423 -6.167 2.018) 8.457 10.853 ( 6.583 3.772 -0.891) 7.640 11.059 ( -4.603 -0.501 -1.146) 4.770 12.183 ( 7.659 -10.223 3.581) 13.266 12.384 ( -4.457 -9.491 -1.738) 10.629 12.725 ( -2.356 1.819 16.355) 16.623 12.975 ( -0.781 -2.249 8.979) 9.289 13.113 ( 3.550 1.613 8.980) 9.790 13.288 ( -2.580 -4.773 -13.446) 14.499 13.418 ( 3.464 4.183 0.223) 5.435 13.496 ( -3.339 2.640 0.680) 4.311 14.023 ( 0.941 4.905 -7.260) 8.812 14.315 ( -0.659 1.403 -3.407) 3.743 14.486 ( 0.086 10.242 -5.555) 11.651 15.036 ( 0.089 -1.312 -2.991) 3.267 15.543 ( -0.080 2.936 -0.551) 2.988 15.819 ( 1.106 -0.815 -2.729) 3.056 15.832 ( 0.267 -0.021 -2.873) 2.886 15.991 ( -2.253 -2.645 -0.835) 3.573 16.139 ( 2.370 1.858 -0.976) 3.165 16.284 ( -2.206 -0.263 -1.843) 2.887 16.608 ( 1.752 -2.833 2.901) 4.417 16.685 ( -0.900 -3.731 -0.932) 3.950 ======================= Grid point 339 (82/90) ======================= q-point: (-0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -9.683 -3.250 7.993) 12.970 2.460 ( 0.056 5.736 -0.602) 5.768 2.652 ( -4.290 0.682 5.882) 7.312 2.883 ( -0.159 -0.896 -0.481) 1.029 3.026 ( 2.569 0.665 4.718) 5.413 3.211 ( 5.519 5.215 -7.402) 10.604 3.441 ( 0.943 0.062 3.879) 3.992 3.604 ( -2.490 -0.169 3.026) 3.923 3.950 ( -2.265 -1.000 6.299) 6.768 4.113 ( -2.892 -6.004 -8.252) 10.607 4.210 ( 0.117 -0.388 -5.915) 5.929 4.325 ( 3.595 -0.745 -1.347) 3.910 4.358 ( 2.572 1.882 6.057) 6.844 4.472 ( 0.020 0.685 -4.977) 5.024 4.515 ( -0.735 7.153 4.465) 8.464 4.582 ( -1.454 -0.919 1.803) 2.492 4.721 ( -2.922 1.539 -5.020) 6.008 4.932 ( -4.116 -0.331 0.845) 4.215 5.330 ( 0.911 1.380 5.222) 5.478 5.445 ( 1.723 1.615 -3.794) 4.469 5.750 ( -2.712 -3.006 9.197) 10.049 5.902 ( -0.864 1.057 11.761) 11.840 6.064 ( 2.919 -3.346 -4.368) 6.229 6.228 ( -0.192 2.750 -16.644) 16.870 8.897 ( 3.010 -0.227 3.701) 4.776 9.457 ( 9.150 0.012 -5.280) 10.564 9.867 ( 4.981 -0.328 -1.494) 5.210 10.003 ( -9.118 1.184 3.894) 9.985 10.136 ( 0.094 -2.964 1.360) 3.262 10.263 ( -5.174 -1.742 2.664) 6.075 10.333 ( 0.524 3.188 -2.868) 4.320 10.766 ( 0.218 -2.053 1.123) 2.350 10.953 ( 1.900 1.076 3.750) 4.339 11.032 ( 5.272 -0.932 -3.936) 6.645 12.241 ( -3.688 -9.285 1.969) 10.183 12.393 ( 7.101 -8.954 -1.004) 11.472 12.695 ( -0.432 3.598 16.683) 17.072 12.962 ( -0.519 -2.898 10.945) 11.334 13.165 ( 0.714 1.297 7.692) 7.833 13.263 ( 0.742 -2.229 -10.777) 11.030 13.423 ( -4.026 0.619 -1.016) 4.198 13.470 ( 2.111 3.200 -1.103) 3.989 14.047 ( 1.382 5.212 -7.165) 8.967 14.257 ( -5.152 0.898 -2.745) 5.907 14.483 ( -0.479 10.164 -3.292) 10.695 14.969 ( -6.643 -1.283 -5.520) 8.733 15.543 ( 0.068 2.952 -1.232) 3.199 15.771 ( -5.758 -0.257 -6.645) 8.796 15.862 ( 2.909 0.209 3.390) 4.472 15.970 ( -0.142 -2.950 -1.622) 3.369 16.159 ( -0.332 2.597 -0.121) 2.621 16.212 ( -3.953 -0.966 -3.010) 5.062 16.696 ( 6.485 -3.521 4.276) 8.528 16.772 ( 8.949 -3.829 -2.760) 10.117 ======================= Grid point 340 (83/90) ======================= q-point: (-0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -5.988 1.434 8.906) 10.827 2.384 ( -8.575 7.490 8.677) 14.315 2.634 ( 1.576 -0.692 -2.171) 2.771 2.829 ( -3.942 3.174 -4.379) 6.693 3.048 ( 1.389 -7.196 2.481) 7.737 3.311 ( 4.079 -0.786 -2.850) 5.038 3.470 ( 3.192 4.653 9.214) 10.805 3.639 ( 5.017 2.706 -1.947) 6.024 3.879 ( -5.066 -2.012 6.854) 8.757 4.055 ( -3.512 -6.086 -7.793) 10.493 4.218 ( -0.073 -0.445 -4.086) 4.111 4.329 ( -5.027 3.208 -6.177) 8.586 4.394 ( -0.763 1.928 0.946) 2.279 4.425 ( -0.198 3.144 -1.165) 3.359 4.494 ( -3.189 5.645 11.062) 12.822 4.543 ( -0.576 -2.259 5.276) 5.768 4.735 ( 3.649 1.173 -5.717) 6.883 4.848 ( -3.610 -2.693 -3.384) 5.634 5.353 ( 1.664 -1.530 2.420) 3.311 5.504 ( 3.971 4.061 -0.085) 5.681 5.693 ( -3.164 -3.839 5.042) 7.083 5.878 ( -1.870 1.426 10.471) 10.732 6.109 ( 1.566 -1.244 -2.193) 2.968 6.227 ( 0.231 1.156 -15.804) 15.848 9.000 ( 7.732 -2.654 2.614) 8.583 9.629 ( 6.218 -6.670 -4.485) 10.162 9.726 ( -9.698 9.742 0.244) 13.749 10.094 ( 6.275 -2.821 3.696) 7.809 10.133 ( 4.147 -4.889 1.108) 6.506 10.199 ( -2.142 1.217 3.927) 4.636 10.306 ( -3.349 2.544 -5.551) 6.965 10.708 ( -4.969 1.683 -0.030) 5.246 11.024 ( 5.738 -2.797 6.318) 8.981 11.167 ( 7.333 -0.780 -4.187) 8.480 12.163 ( -3.169 -12.320 -0.726) 12.741 12.501 ( 2.314 3.892 -1.264) 4.701 12.727 ( 3.880 -1.168 21.766) 22.140 12.964 ( 1.351 -4.957 9.219) 10.554 13.138 ( -2.680 2.218 3.704) 5.081 13.286 ( -0.885 3.434 2.260) 4.205 13.376 ( 0.621 -4.439 -10.280) 11.214 13.501 ( 1.279 2.362 -2.363) 3.577 14.062 ( -0.066 4.769 -5.328) 7.151 14.138 ( -6.825 0.736 -2.451) 7.288 14.458 ( -2.727 9.227 4.289) 10.534 14.825 ( -7.198 -0.793 -13.597) 15.405 15.547 ( 0.290 3.152 -2.148) 3.826 15.651 ( -6.182 -0.236 -3.691) 7.204 15.921 ( 2.886 -0.272 3.222) 4.334 15.974 ( 0.637 -1.804 -2.369) 3.045 16.127 ( -2.550 0.133 -0.980) 2.735 16.164 ( -1.430 1.790 -2.520) 3.406 16.836 ( 7.668 -4.594 5.630) 10.564 16.955 ( 9.439 -4.625 -4.622) 11.482 ======================= Grid point 344 (84/90) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 9.341 1.109 7.167) 11.826 2.515 ( 5.644 6.512 10.651) 13.700 2.662 ( 1.923 -2.190 -4.018) 4.964 2.823 ( -2.719 1.880 -2.820) 4.345 2.953 ( -0.752 5.427 4.743) 7.247 3.250 ( -3.617 0.990 -5.564) 6.710 3.524 ( -1.751 -2.196 9.607) 10.009 3.734 ( 3.875 -7.034 4.355) 9.135 3.873 ( 2.516 -0.963 -6.729) 7.248 3.969 ( -1.386 3.737 1.664) 4.319 4.205 ( -0.475 0.174 -6.128) 6.148 4.306 ( -2.308 0.541 -6.728) 7.134 4.407 ( -1.656 -0.438 8.035) 8.215 4.479 ( -2.209 -1.003 4.442) 5.062 4.519 ( 4.335 6.245 -4.411) 8.789 4.629 ( 3.172 -0.108 -0.418) 3.201 4.716 ( 0.257 1.858 2.875) 3.433 4.857 ( 3.645 3.819 -4.648) 7.034 5.346 ( 0.633 0.616 1.336) 1.602 5.585 ( 3.336 -2.793 3.098) 5.341 5.627 ( -2.157 0.802 -0.258) 2.316 5.894 ( 0.401 0.775 13.224) 13.253 6.067 ( -3.176 -2.601 -0.478) 4.133 6.251 ( 1.210 1.303 -16.320) 16.416 8.982 ( 0.504 -5.459 4.328) 6.985 9.400 ( -12.447 3.436 -7.068) 14.721 9.923 ( 3.309 0.787 5.249) 6.255 10.043 ( -4.450 -5.724 0.237) 7.255 10.110 ( 6.383 -4.674 -1.416) 8.037 10.238 ( 3.264 1.689 5.187) 6.357 10.343 ( 1.292 3.045 -4.506) 5.589 10.727 ( 1.949 4.277 0.245) 4.707 10.945 ( -6.617 -4.879 3.323) 8.868 11.151 ( -1.259 -4.573 -0.844) 4.818 11.956 ( -8.102 0.771 -1.676) 8.310 12.444 ( -6.616 -10.112 1.795) 12.216 12.733 ( -1.814 -3.630 21.841) 22.215 12.934 ( 2.590 2.019 7.903) 8.558 13.143 ( -1.832 0.773 -7.377) 7.641 13.299 ( -2.159 -4.671 -6.719) 8.463 13.360 ( 3.338 5.765 3.514) 7.532 13.545 ( 2.054 -0.261 0.582) 2.151 14.127 ( 1.073 5.647 -0.540) 5.773 14.204 ( 6.375 2.231 -6.981) 9.714 14.637 ( 7.505 7.364 4.813) 11.564 14.829 ( 2.612 3.014 -13.056) 13.651 15.629 ( 5.255 -0.542 -3.505) 6.339 15.643 ( -0.454 5.861 -3.057) 6.625 15.881 ( -3.054 -0.997 2.662) 4.172 15.971 ( 0.576 -3.238 -0.920) 3.415 16.120 ( -0.198 3.072 -2.880) 4.216 16.219 ( 3.434 0.923 -1.392) 3.818 16.716 ( -7.709 -6.953 3.543) 10.969 16.835 ( -7.671 -7.890 -2.402) 11.263 ======================= Grid point 345 (85/90) ======================= q-point: ( 0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 8.537 0.137 4.957) 9.873 2.538 ( -7.525 -2.197 2.957) 8.378 2.645 ( 4.541 3.440 5.039) 7.606 2.918 ( 9.219 4.677 -1.925) 10.515 2.950 ( -0.881 5.698 7.047) 9.105 3.194 ( -2.235 2.520 -6.973) 7.744 3.413 ( -7.266 -0.906 3.955) 8.322 3.762 ( -0.965 -4.698 7.791) 9.148 3.904 ( 1.745 -2.916 -3.411) 4.815 4.037 ( 4.835 -2.830 1.738) 5.866 4.212 ( 1.132 0.758 -5.964) 6.118 4.279 ( 0.186 0.428 -10.416) 10.426 4.351 ( -4.128 0.632 10.085) 10.915 4.426 ( -3.056 -0.707 4.357) 5.368 4.551 ( -1.298 2.121 -8.085) 8.459 4.608 ( 0.279 -0.929 -5.650) 5.732 4.835 ( 7.230 6.776 6.412) 11.803 4.925 ( 2.965 4.087 -2.141) 5.484 5.366 ( 1.205 2.227 1.583) 2.986 5.545 ( -3.778 3.322 -0.521) 5.058 5.690 ( 4.729 -5.039 4.201) 8.087 5.897 ( -0.109 -1.713 10.444) 10.584 5.995 ( -4.029 -1.973 2.717) 5.245 6.269 ( 0.651 1.741 -16.452) 16.557 8.993 ( -0.700 -1.406 9.486) 9.615 9.227 ( -4.099 2.048 -12.638) 13.443 9.865 ( -5.952 1.786 6.189) 8.770 10.004 ( 0.179 -6.778 -1.145) 6.876 10.235 ( 5.123 -1.424 -2.777) 5.999 10.283 ( 0.504 2.766 3.679) 4.630 10.429 ( 8.304 -1.102 0.251) 8.380 10.730 ( -11.580 -0.983 1.270) 11.691 10.817 ( 2.894 2.408 0.516) 3.800 11.108 ( -3.604 -3.497 0.422) 5.040 11.895 ( 1.796 -3.874 -0.867) 4.357 12.321 ( -6.258 -10.527 0.033) 12.247 12.674 ( -3.020 -6.838 22.503) 23.713 12.991 ( 1.617 2.836 7.173) 7.881 13.114 ( 0.102 0.455 -8.981) 8.993 13.247 ( -3.126 -4.385 -8.409) 9.985 13.438 ( 4.153 5.457 4.316) 8.103 13.569 ( 0.221 1.145 3.061) 3.276 14.136 ( 0.327 7.206 -2.384) 7.598 14.313 ( 4.236 1.649 -6.138) 7.638 14.699 ( 0.672 11.710 -2.380) 11.968 14.936 ( 6.462 -1.531 -4.215) 7.866 15.631 ( -0.703 5.545 -1.932) 5.914 15.733 ( 5.118 -1.216 -4.988) 7.249 15.833 ( -1.622 -0.678 1.869) 2.566 15.970 ( -1.013 -3.791 -1.432) 4.177 16.133 ( 1.827 3.054 -2.275) 4.224 16.284 ( 2.955 0.914 -1.216) 3.324 16.570 ( -6.683 -6.244 1.796) 9.320 16.687 ( -7.435 -6.361 -0.346) 9.791 ======================= Grid point 346 (86/90) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -8.168 0.777 4.669) 9.440 2.490 ( 4.820 1.553 1.317) 5.232 2.758 ( 5.572 0.926 2.093) 6.024 2.865 ( -8.084 4.988 5.911) 11.188 3.036 ( 1.633 3.621 6.380) 7.516 3.215 ( 4.716 4.866 -8.025) 10.503 3.351 ( 2.146 -3.584 1.339) 4.386 3.697 ( -5.217 -4.088 6.431) 9.235 3.951 ( 2.275 -0.107 0.603) 2.356 4.059 ( -2.811 -5.216 1.283) 6.062 4.223 ( -0.444 0.524 -7.104) 7.137 4.282 ( -0.902 0.451 -4.703) 4.810 4.328 ( 3.370 0.555 0.684) 3.484 4.397 ( 0.679 -1.668 5.307) 5.604 4.541 ( 0.579 0.161 -7.728) 7.751 4.619 ( 0.395 -1.154 -3.620) 3.820 4.874 ( -2.877 8.186 1.499) 8.805 4.996 ( 3.220 4.495 2.136) 5.928 5.383 ( 0.535 3.753 4.088) 5.575 5.480 ( -2.421 2.194 -2.510) 4.120 5.742 ( -0.482 -2.573 8.692) 9.077 5.896 ( 0.367 -7.376 -6.230) 9.662 5.950 ( 0.290 1.405 15.231) 15.298 6.276 ( 0.093 1.743 -16.348) 16.441 8.942 ( -3.071 2.777 7.251) 8.350 9.262 ( 5.851 -2.004 -10.561) 12.239 9.786 ( -1.256 0.704 2.828) 3.173 10.020 ( 1.014 -5.899 1.911) 6.284 10.276 ( -0.343 2.853 3.386) 4.442 10.326 ( 3.980 0.954 -1.897) 4.511 10.434 ( -15.689 2.429 0.979) 15.906 10.593 ( 6.911 -3.613 0.322) 7.805 10.922 ( 6.335 2.234 0.769) 6.761 11.017 ( -5.668 -4.034 0.086) 6.958 12.005 ( 9.063 -6.847 0.644) 11.377 12.197 ( -7.217 -9.827 -1.249) 12.256 12.647 ( 0.253 -7.363 22.543) 23.717 12.997 ( -0.106 2.677 2.650) 3.768 13.143 ( 1.720 -0.968 -3.088) 3.665 13.193 ( -1.837 -2.831 -9.986) 10.541 13.500 ( 2.263 4.439 2.946) 5.788 13.547 ( -2.542 2.667 4.508) 5.822 14.148 ( 1.005 7.338 -3.876) 8.360 14.346 ( -0.875 1.784 -5.400) 5.754 14.703 ( 0.019 11.671 -3.510) 12.188 15.005 ( 0.107 -1.787 -2.342) 2.948 15.620 ( -0.338 4.969 -1.505) 5.203 15.799 ( 1.834 -1.250 -2.129) 3.076 15.829 ( 0.363 -0.432 -1.607) 1.703 15.932 ( -2.374 -3.351 -2.463) 4.789 16.184 ( 2.991 2.894 -0.984) 4.277 16.281 ( -3.786 0.040 -1.906) 4.239 16.533 ( 3.339 -4.905 1.950) 6.246 16.587 ( -1.978 -6.348 -0.026) 6.649 ======================= Grid point 348 (87/90) ======================= q-point: (-0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -5.224 4.879 5.927) 9.286 2.566 ( 2.864 2.917 -0.042) 4.088 2.692 ( -8.149 3.587 6.652) 11.114 2.828 ( 1.526 -0.824 -1.468) 2.272 3.037 ( -1.766 0.358 6.720) 6.957 3.260 ( 0.323 -0.055 -6.775) 6.783 3.472 ( 6.211 1.741 7.966) 10.250 3.619 ( 0.188 -0.073 0.415) 0.461 3.930 ( -4.774 -1.647 1.062) 5.160 4.010 ( -0.948 -2.964 -0.757) 3.202 4.208 ( -0.448 0.430 -7.794) 7.819 4.298 ( 1.182 -1.694 -6.478) 6.799 4.378 ( 2.117 0.104 8.115) 8.387 4.442 ( 2.818 -2.669 3.401) 5.161 4.566 ( 1.328 0.553 -6.490) 6.648 4.624 ( 0.285 -0.873 -3.513) 3.631 4.779 ( -5.922 7.276 1.355) 9.478 4.975 ( -5.459 4.624 1.616) 7.334 5.371 ( -1.702 2.706 3.048) 4.417 5.495 ( 4.030 3.659 -1.083) 5.550 5.689 ( -3.813 -3.575 3.678) 6.391 5.901 ( -0.012 -1.650 8.429) 8.589 6.002 ( 3.973 -2.715 4.085) 6.312 6.271 ( -0.675 1.664 -16.259) 16.358 8.920 ( 1.011 2.455 4.661) 5.364 9.379 ( 5.054 -6.771 -7.952) 11.603 9.841 ( 7.173 -0.230 0.534) 7.197 10.013 ( -2.911 -4.582 7.424) 9.197 10.174 ( -9.317 6.735 -3.065) 11.898 10.264 ( -1.042 2.729 4.476) 5.345 10.375 ( 0.467 0.701 -3.587) 3.684 10.714 ( 5.221 -1.609 1.502) 5.666 10.920 ( -3.145 -4.102 0.620) 5.206 11.045 ( 6.320 0.624 0.283) 6.358 12.045 ( -7.179 -9.690 -1.091) 12.108 12.221 ( 12.187 -8.064 1.184) 14.661 12.674 ( 2.433 -5.316 21.978) 22.743 12.983 ( -1.937 4.054 6.700) 8.067 13.146 ( -0.109 -4.193 -14.423) 15.020 13.217 ( 3.392 -0.772 -1.713) 3.877 13.467 ( -5.060 3.358 4.607) 7.623 13.535 ( 0.858 3.357 1.989) 3.995 14.167 ( 0.509 6.303 -3.058) 7.024 14.286 ( -5.033 2.246 -5.643) 7.888 14.699 ( -0.750 11.599 -1.209) 11.686 14.939 ( -6.378 -1.617 -5.425) 8.528 15.620 ( 0.289 4.937 -2.358) 5.479 15.761 ( -5.794 -0.739 -5.598) 8.090 15.850 ( 2.257 -1.807 4.514) 5.360 15.924 ( 1.427 -1.548 -2.909) 3.591 16.188 ( -4.030 0.221 -1.795) 4.417 16.226 ( 0.198 2.891 -1.730) 3.374 16.597 ( 4.734 -6.634 2.219) 8.447 16.676 ( 8.457 -6.144 -0.738) 10.479 ======================= Grid point 354 (88/90) ======================= q-point: ( 0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 7.188 0.949 3.791) 8.182 2.512 ( -6.039 -1.158 1.331) 6.291 2.776 ( 4.923 9.526 5.308) 11.965 2.940 ( 9.641 -1.044 -0.019) 9.697 3.036 ( 0.186 2.649 9.013) 9.396 3.242 ( -1.354 2.330 -6.835) 7.347 3.415 ( -8.015 0.031 7.225) 10.791 3.587 ( -2.303 -10.943 -1.481) 11.281 3.923 ( 1.654 4.419 0.696) 4.770 4.008 ( 1.040 -1.566 3.282) 3.783 4.229 ( 1.502 1.094 -6.931) 7.176 4.279 ( 0.178 -0.383 -11.124) 11.132 4.355 ( -2.281 -0.132 10.270) 10.521 4.397 ( -2.520 -2.294 4.530) 5.668 4.548 ( -3.319 -2.560 -6.773) 7.966 4.581 ( -0.211 -0.425 -8.800) 8.812 4.958 ( 9.710 6.303 2.856) 11.923 5.053 ( 2.590 6.597 1.986) 7.361 5.422 ( 2.543 3.620 1.496) 4.669 5.585 ( 5.879 -5.657 1.121) 8.236 5.611 ( -4.640 4.002 0.131) 6.128 5.832 ( -5.246 -4.861 2.314) 7.517 5.973 ( -0.700 -0.661 13.669) 13.703 6.291 ( 0.603 0.677 -16.068) 16.093 8.972 ( 2.250 -0.335 8.696) 8.989 9.266 ( -3.828 1.001 -13.265) 13.842 9.862 ( 1.961 -6.547 2.346) 7.225 9.897 ( -6.606 1.126 7.106) 9.767 10.256 ( 3.093 3.609 -3.326) 5.801 10.318 ( 0.437 1.163 2.314) 2.627 10.435 ( 6.975 0.896 -0.890) 7.089 10.679 ( -5.420 -4.186 1.687) 7.053 10.848 ( -0.548 1.855 0.732) 2.068 11.018 ( -3.773 -5.709 1.218) 6.951 11.925 ( -2.406 5.664 -1.558) 6.348 12.114 ( -3.627 -10.462 -0.836) 11.104 12.565 ( -5.116 -4.497 24.184) 25.125 13.042 ( 0.142 2.269 6.667) 7.044 13.070 ( -1.524 -3.840 -20.490) 20.902 13.209 ( -0.317 -0.315 -0.945) 1.046 13.533 ( 3.272 4.318 5.419) 7.663 13.585 ( 1.735 0.477 4.208) 4.577 14.241 ( 1.710 2.994 0.739) 3.526 14.347 ( 3.588 2.370 -9.707) 10.617 14.874 ( 4.769 4.560 0.564) 6.622 14.926 ( 1.842 2.138 -4.432) 5.254 15.714 ( 4.423 -0.588 -2.653) 5.191 15.743 ( -1.145 5.751 -3.952) 7.071 15.813 ( -1.126 -1.492 1.781) 2.582 15.904 ( -1.108 -2.951 -3.313) 4.573 16.201 ( 1.506 4.252 -1.900) 4.894 16.292 ( 3.672 -0.515 -0.892) 3.814 16.464 ( -6.782 -3.963 0.870) 7.903 16.555 ( -6.267 -7.285 0.683) 9.634 ======================= Grid point 355 (89/90) ======================= q-point: (-0.50 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -4.330 2.981 2.468) 5.807 2.469 ( 3.993 -2.428 1.838) 5.022 2.863 ( 3.385 7.844 5.011) 9.905 2.969 ( -4.962 6.212 2.955) 8.482 3.081 ( -1.940 1.773 8.043) 8.462 3.280 ( 5.459 1.399 -3.340) 6.551 3.292 ( 0.795 -2.379 0.888) 2.661 3.534 ( -2.907 -11.744 -0.454) 12.107 3.968 ( 2.497 1.778 2.391) 3.888 4.002 ( -2.485 -1.341 3.498) 4.496 4.245 ( 0.087 1.964 -7.783) 8.027 4.287 ( -1.766 0.284 -10.190) 10.346 4.334 ( 2.709 -0.307 5.094) 5.777 4.362 ( -0.561 -2.092 7.830) 8.124 4.516 ( 0.118 -3.079 -6.237) 6.956 4.580 ( -0.064 -1.105 -9.393) 9.458 5.048 ( -2.569 8.737 2.549) 9.457 5.095 ( 2.879 4.686 2.186) 5.918 5.468 ( 1.590 5.315 2.710) 6.174 5.528 ( -2.724 3.053 -1.385) 4.320 5.683 ( 0.365 -3.854 3.930) 5.516 5.745 ( 0.266 -8.439 -2.262) 8.741 5.967 ( -0.001 0.459 16.184) 16.190 6.297 ( 0.023 0.579 -15.939) 15.950 8.981 ( -0.837 1.135 10.364) 10.460 9.254 ( 1.519 1.072 -15.674) 15.784 9.810 ( -1.495 1.429 5.337) 5.723 9.897 ( 1.223 -6.438 4.825) 8.138 10.298 ( 0.337 1.270 -0.261) 1.340 10.326 ( 0.793 -0.660 -2.360) 2.576 10.510 ( -7.338 3.234 2.549) 8.414 10.577 ( 5.443 1.753 0.080) 5.719 10.909 ( 5.318 -3.154 1.280) 6.314 10.921 ( -5.463 -5.208 0.841) 7.594 11.957 ( 5.451 1.127 -1.241) 5.703 12.042 ( -5.158 -6.034 -1.879) 8.158 12.515 ( 0.266 -5.876 25.113) 25.792 13.022 ( 0.503 -0.973 -16.452) 16.488 13.071 ( -0.615 -2.408 2.107) 3.258 13.207 ( 0.057 1.280 -1.782) 2.195 13.577 ( 1.023 3.298 4.933) 6.021 13.591 ( -1.089 1.878 5.397) 5.817 14.258 ( 0.335 3.590 0.220) 3.612 14.382 ( -0.318 2.082 -9.646) 9.873 14.890 ( -0.031 7.511 -1.392) 7.639 14.975 ( 0.057 -1.164 -1.171) 1.652 15.715 ( -0.817 4.379 -1.307) 4.642 15.779 ( 2.108 -0.399 -0.130) 2.150 15.813 ( -0.476 -1.052 -4.004) 4.167 15.876 ( -0.914 -2.434 -4.117) 4.869 16.249 ( 3.276 4.038 -0.777) 5.258 16.292 ( -4.712 1.325 -1.316) 5.069 16.432 ( 4.742 -5.537 1.093) 7.372 16.460 ( -3.195 -6.801 0.717) 7.548 ======================= Grid point 368 (90/90) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.09e-04 3.09e-04 3.09e-04 3.09e-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 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 0.000 0.000 1.543) 1.543 2.442 ( 0.000 0.000 1.543) 1.543 2.937 ( 0.000 0.000 9.361) 9.361 3.085 ( 0.000 -0.000 -5.218) 5.218 3.111 ( -0.000 0.000 13.305) 13.305 3.263 ( -0.000 -0.000 4.061) 4.061 3.263 ( 0.000 0.000 4.061) 4.061 3.386 ( -0.000 0.000 -12.148) 12.148 3.991 ( 0.000 -0.000 3.251) 3.251 3.991 ( 0.000 0.000 3.251) 3.251 4.291 ( -0.000 -0.000 -12.962) 12.962 4.291 ( 0.000 -0.000 -12.962) 12.962 4.308 ( -0.000 0.000 10.236) 10.236 4.334 ( 0.000 0.000 11.398) 11.398 4.477 ( 0.000 0.000 -6.028) 6.028 4.574 ( 0.000 0.000 -10.767) 10.767 5.142 ( -0.000 -0.000 2.533) 2.533 5.142 ( 0.000 0.000 2.533) 2.533 5.575 ( 0.000 -0.000 -1.115) 1.115 5.598 ( -0.000 0.000 -2.633) 2.633 5.603 ( -0.000 -0.000 3.005) 3.005 5.603 ( 0.000 0.000 3.005) 3.005 5.971 ( 0.000 0.000 16.663) 16.663 6.302 ( 0.000 0.000 -15.750) 15.750 8.990 ( 0.000 -0.000 11.192) 11.192 9.273 ( 0.000 0.000 -17.903) 17.903 9.826 ( 0.000 0.000 6.429) 6.429 9.826 ( 0.000 0.000 6.429) 6.429 10.318 ( -0.000 0.000 -2.565) 2.565 10.318 ( 0.000 0.000 -2.565) 2.565 10.529 ( 0.000 -0.000 6.301) 6.301 10.616 ( 0.000 0.000 -1.617) 1.617 10.862 ( 0.000 -0.000 0.833) 0.833 10.862 ( 0.000 0.000 0.833) 0.833 11.984 ( 0.000 0.000 -2.058) 2.058 11.984 ( 0.000 0.000 -2.058) 2.058 12.453 ( 0.000 0.000 26.561) 26.561 12.995 ( 0.000 0.000 -27.069) 27.069 13.062 ( 0.000 0.000 11.746) 11.746 13.219 ( -0.000 0.000 -2.530) 2.530 13.610 ( 0.000 0.000 5.574) 5.574 13.610 ( 0.000 0.000 5.574) 5.574 14.287 ( 0.000 0.000 1.248) 1.248 14.407 ( 0.000 0.000 -11.090) 11.090 14.964 ( 0.000 0.000 -0.488) 0.488 14.964 ( 0.000 0.000 -0.488) 0.488 15.746 ( 0.000 -0.000 5.968) 5.968 15.801 ( 0.000 -0.000 -6.482) 6.482 15.801 ( 0.000 0.000 -6.482) 6.482 15.843 ( -0.000 0.000 -4.092) 4.092 16.330 ( -0.000 -0.000 -1.026) 1.026 16.330 ( -0.000 0.000 -1.026) 1.026 16.342 ( 0.000 -0.000 2.241) 2.241 16.359 ( -0.000 0.000 0.448) 0.448 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/31104 10.0 1919.649 1919.649 2042.197 -0.000 -0.000 0.000 3/31104 20.0 585.764 585.764 656.244 -0.000 0.000 0.000 3/31104 30.0 218.026 218.026 249.686 0.000 0.000 0.000 3/31104 40.0 115.404 115.404 133.218 0.000 0.000 0.000 3/31104 50.0 75.016 75.016 87.718 0.000 0.000 0.000 3/31104 60.0 54.672 54.672 65.076 0.000 0.000 0.000 3/31104 70.0 42.619 42.619 51.723 0.000 0.000 0.000 3/31104 80.0 34.677 34.677 42.879 0.000 0.000 0.000 3/31104 90.0 29.061 29.061 36.555 0.000 0.000 0.000 3/31104 100.0 24.894 24.894 31.794 0.000 0.000 0.000 3/31104 110.0 21.694 21.694 28.083 0.000 0.000 0.000 3/31104 120.0 19.173 19.173 25.116 0.000 0.000 0.000 3/31104 130.0 17.143 17.143 22.697 0.000 0.000 0.000 3/31104 140.0 15.482 15.482 20.692 0.000 0.000 0.000 3/31104 150.0 14.103 14.103 19.007 0.000 0.000 0.000 3/31104 160.0 12.941 12.941 17.575 0.000 0.000 0.000 3/31104 170.0 11.953 11.953 16.344 0.000 0.000 0.000 3/31104 180.0 11.103 11.103 15.276 0.000 0.000 0.000 3/31104 190.0 10.366 10.366 14.342 0.000 0.000 0.000 3/31104 200.0 9.720 9.720 13.517 0.000 0.000 0.000 3/31104 210.0 9.151 9.151 12.785 0.000 0.000 0.000 3/31104 220.0 8.645 8.645 12.130 0.000 0.000 0.000 3/31104 230.0 8.194 8.194 11.542 0.000 0.000 0.000 3/31104 240.0 7.788 7.788 11.009 0.000 0.000 0.000 3/31104 250.0 7.421 7.421 10.526 0.000 0.000 0.000 3/31104 260.0 7.088 7.088 10.084 0.000 0.000 0.000 3/31104 270.0 6.785 6.785 9.679 0.000 0.000 0.000 3/31104 280.0 6.507 6.507 9.307 0.000 0.000 0.000 3/31104 290.0 6.252 6.252 8.963 0.000 0.000 0.000 3/31104 300.0 6.016 6.016 8.645 0.000 0.000 0.000 3/31104 310.0 5.798 5.798 8.349 0.000 0.000 0.000 3/31104 320.0 5.596 5.596 8.073 0.000 0.000 0.000 3/31104 330.0 5.408 5.408 7.816 0.000 0.000 0.000 3/31104 340.0 5.232 5.232 7.575 0.000 0.000 0.000 3/31104 350.0 5.068 5.068 7.349 0.000 0.000 0.000 3/31104 360.0 4.914 4.914 7.136 0.000 0.000 0.000 3/31104 370.0 4.770 4.770 6.936 0.000 0.000 0.000 3/31104 380.0 4.633 4.633 6.747 0.000 0.000 0.000 3/31104 390.0 4.505 4.505 6.568 0.000 0.000 0.000 3/31104 400.0 4.384 4.384 6.399 0.000 0.000 0.000 3/31104 410.0 4.269 4.269 6.238 0.000 0.000 0.000 3/31104 420.0 4.160 4.160 6.086 0.000 0.000 0.000 3/31104 430.0 4.057 4.057 5.940 0.000 0.000 0.000 3/31104 440.0 3.959 3.959 5.802 0.000 0.000 0.000 3/31104 450.0 3.866 3.866 5.671 0.000 0.000 0.000 3/31104 460.0 3.777 3.777 5.545 0.000 0.000 0.000 3/31104 470.0 3.692 3.692 5.425 0.000 0.000 0.000 3/31104 480.0 3.611 3.611 5.310 0.000 0.000 0.000 3/31104 490.0 3.534 3.534 5.199 0.000 0.000 0.000 3/31104 500.0 3.459 3.459 5.094 0.000 0.000 0.000 3/31104 510.0 3.388 3.388 4.993 0.000 0.000 0.000 3/31104 520.0 3.320 3.320 4.895 0.000 0.000 0.000 3/31104 530.0 3.255 3.255 4.802 0.000 0.000 0.000 3/31104 540.0 3.192 3.192 4.712 0.000 0.000 0.000 3/31104 550.0 3.132 3.132 4.625 0.000 0.000 0.000 3/31104 560.0 3.074 3.074 4.542 0.000 0.000 0.000 3/31104 570.0 3.018 3.018 4.461 0.000 0.000 0.000 3/31104 580.0 2.964 2.964 4.384 0.000 0.000 0.000 3/31104 590.0 2.912 2.912 4.309 0.000 0.000 0.000 3/31104 600.0 2.861 2.861 4.237 0.000 0.000 0.000 3/31104 610.0 2.813 2.813 4.167 0.000 0.000 0.000 3/31104 620.0 2.766 2.766 4.099 0.000 0.000 0.000 3/31104 630.0 2.721 2.721 4.034 0.000 0.000 0.000 3/31104 640.0 2.677 2.677 3.970 0.000 0.000 0.000 3/31104 650.0 2.635 2.635 3.909 0.000 0.000 0.000 3/31104 660.0 2.594 2.594 3.849 0.000 0.000 0.000 3/31104 670.0 2.554 2.554 3.792 0.000 0.000 0.000 3/31104 680.0 2.515 2.515 3.736 0.000 0.000 0.000 3/31104 690.0 2.478 2.478 3.681 0.000 0.000 0.000 3/31104 700.0 2.442 2.442 3.629 0.000 0.000 0.000 3/31104 710.0 2.407 2.407 3.577 0.000 0.000 0.000 3/31104 720.0 2.372 2.372 3.528 0.000 0.000 0.000 3/31104 730.0 2.339 2.339 3.479 0.000 0.000 0.000 3/31104 740.0 2.307 2.307 3.432 0.000 0.000 0.000 3/31104 750.0 2.275 2.275 3.386 0.000 0.000 0.000 3/31104 760.0 2.245 2.245 3.342 0.000 0.000 0.000 3/31104 770.0 2.215 2.215 3.298 0.000 0.000 0.000 3/31104 780.0 2.186 2.186 3.256 0.000 0.000 0.000 3/31104 790.0 2.158 2.158 3.215 0.000 0.000 0.000 3/31104 800.0 2.130 2.130 3.174 0.000 0.000 0.000 3/31104 810.0 2.104 2.104 3.135 0.000 0.000 0.000 3/31104 820.0 2.078 2.078 3.097 0.000 0.000 0.000 3/31104 830.0 2.052 2.052 3.060 0.000 0.000 0.000 3/31104 840.0 2.027 2.027 3.023 0.000 0.000 0.000 3/31104 850.0 2.003 2.003 2.988 0.000 0.000 0.000 3/31104 860.0 1.979 1.979 2.953 0.000 0.000 0.000 3/31104 870.0 1.956 1.956 2.919 0.000 0.000 0.000 3/31104 880.0 1.934 1.934 2.886 0.000 0.000 0.000 3/31104 890.0 1.912 1.912 2.854 0.000 0.000 0.000 3/31104 900.0 1.890 1.890 2.822 0.000 0.000 0.000 3/31104 910.0 1.869 1.869 2.791 0.000 0.000 0.000 3/31104 920.0 1.848 1.848 2.761 0.000 0.000 0.000 3/31104 930.0 1.828 1.828 2.731 0.000 0.000 0.000 3/31104 940.0 1.809 1.809 2.702 0.000 0.000 0.000 3/31104 950.0 1.789 1.789 2.674 0.000 0.000 0.000 3/31104 960.0 1.770 1.770 2.646 0.000 0.000 0.000 3/31104 970.0 1.752 1.752 2.619 0.000 0.000 0.000 3/31104 980.0 1.734 1.734 2.592 0.000 0.000 0.000 3/31104 990.0 1.716 1.716 2.566 0.000 0.000 0.000 3/31104 1000.0 1.699 1.699 2.540 0.000 0.000 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m889.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:46:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|