----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:11:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.762722727865983 -2.993940775000000 0.000000000000000 b 6.762722727865983 2.993940775000000 0.000000000000000 c -2.104832965492530 0.000000000000000 8.538902192197634 Atomic positions (fractional): *1 Cs 0.57229106031756 0.57229106031756 0.73272221385577 132.905 *2 Cs 0.13332611209178 0.13332611209178 0.40294672667205 132.905 *3 Cs 0.31094143016745 0.31094143016745 0.85305401203964 132.905 4 Cs 0.42770893968244 0.42770893968244 0.26727778614423 132.905 5 Cs 0.68905856983255 0.68905856983255 0.14694598796036 132.905 6 Cs 0.86667388790822 0.86667388790822 0.59705327332795 132.905 *7 Li 0.91878202037415 0.91878202037415 0.04267078364941 6.941 8 Li 0.08121797962585 0.08121797962585 0.95732921635059 6.941 *9 F 0.64394062649464 0.64394062649464 0.45124956138279 18.998 *10 F 0.76544071687127 0.23455928312873 0.00000000000000 18.998 *11 F 0.08884371997425 0.08884371997425 0.74352731661988 18.998 *12 F 0.79379858697247 0.79379858697247 0.89257508701229 18.998 13 F 0.91115628002575 0.91115628002575 0.25647268338012 18.998 14 F 0.35605937350536 0.35605937350536 0.54875043861721 18.998 15 F 0.23455928312873 0.76544071687127 0.00000000000000 18.998 16 F 0.20620141302753 0.20620141302753 0.10742491298771 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.525445455731965 0.000000000000000 0.000000000000000 b 0.000000000000000 5.987881549999999 0.000000000000000 c -2.104832965492530 0.000000000000000 8.538902192197634 Atomic positions (fractional): *1 Cs 0.07229106031756 0.50000000000000 0.73272221385577 132.905 > 1 *2 Cs 0.13332611209178 0.00000000000000 0.40294672667205 132.905 > 2 *3 Cs 0.31094143016745 0.00000000000000 0.85305401203964 132.905 > 3 4 Cs 0.42770893968244 0.00000000000000 0.26727778614423 132.905 > 4 5 Cs 0.18905856983255 0.50000000000000 0.14694598796036 132.905 > 5 6 Cs 0.36667388790822 0.50000000000000 0.59705327332795 132.905 > 6 7 Cs 0.57229106031756 0.00000000000000 0.73272221385577 132.905 > 1 8 Cs 0.63332611209178 0.50000000000000 0.40294672667205 132.905 > 2 9 Cs 0.81094143016745 0.50000000000000 0.85305401203964 132.905 > 3 10 Cs 0.92770893968244 0.50000000000000 0.26727778614423 132.905 > 4 11 Cs 0.68905856983255 0.00000000000000 0.14694598796036 132.905 > 5 12 Cs 0.86667388790822 0.00000000000000 0.59705327332795 132.905 > 6 *13 Li 0.41878202037415 0.50000000000000 0.04267078364941 6.941 > 7 14 Li 0.08121797962585 0.00000000000000 0.95732921635059 6.941 > 8 15 Li 0.91878202037415 0.00000000000000 0.04267078364941 6.941 > 7 16 Li 0.58121797962585 0.50000000000000 0.95732921635059 6.941 > 8 *17 F 0.14394062649464 0.50000000000000 0.45124956138279 18.998 > 9 *18 F 0.00000000000000 0.23455928312873 0.00000000000000 18.998 > 10 *19 F 0.08884371997425 0.00000000000000 0.74352731661988 18.998 > 11 *20 F 0.29379858697247 0.50000000000000 0.89257508701229 18.998 > 12 21 F 0.41115628002575 0.50000000000000 0.25647268338012 18.998 > 13 22 F 0.35605937350536 0.00000000000000 0.54875043861721 18.998 > 14 23 F 0.00000000000000 0.76544071687127 0.00000000000000 18.998 > 15 24 F 0.20620141302753 0.00000000000000 0.10742491298771 18.998 > 16 25 F 0.64394062649464 0.00000000000000 0.45124956138279 18.998 > 9 26 F 0.50000000000000 0.73455928312873 0.00000000000000 18.998 > 10 27 F 0.58884371997425 0.50000000000000 0.74352731661988 18.998 > 11 28 F 0.79379858697247 0.00000000000000 0.89257508701229 18.998 > 12 29 F 0.91115628002575 0.00000000000000 0.25647268338012 18.998 > 13 30 F 0.85605937350536 0.50000000000000 0.54875043861721 18.998 > 14 31 F 0.50000000000000 0.26544071687127 0.00000000000000 18.998 > 15 32 F 0.70620141302753 0.50000000000000 0.10742491298771 18.998 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.525445455731965 0.000000000000000 0.000000000000000 b 0.000000000000000 11.975763099999998 0.000000000000000 c -4.209665930985060 0.000000000000000 17.077804384395268 Atomic positions (fractional): *1 Cs 0.07229106031756 0.25000000000000 0.36636110692789 132.905 > 1 2 Cs 0.07229106031756 0.75000000000000 0.36636110692789 132.905 > 1 3 Cs 0.07229106031756 0.25000000000000 0.86636110692789 132.905 > 1 4 Cs 0.07229106031756 0.75000000000000 0.86636110692789 132.905 > 1 *5 Cs 0.13332611209178 0.00000000000000 0.20147336333603 132.905 > 2 6 Cs 0.13332611209178 0.50000000000000 0.20147336333603 132.905 > 2 7 Cs 0.13332611209178 0.00000000000000 0.70147336333603 132.905 > 2 8 Cs 0.13332611209178 0.50000000000000 0.70147336333603 132.905 > 2 *9 Cs 0.31094143016745 0.00000000000000 0.42652700601982 132.905 > 3 10 Cs 0.31094143016745 0.50000000000000 0.42652700601982 132.905 > 3 11 Cs 0.31094143016745 0.00000000000000 0.92652700601982 132.905 > 3 12 Cs 0.31094143016745 0.50000000000000 0.92652700601982 132.905 > 3 13 Cs 0.42770893968244 0.00000000000000 0.13363889307211 132.905 > 4 14 Cs 0.42770893968244 0.50000000000000 0.13363889307211 132.905 > 4 15 Cs 0.42770893968244 0.00000000000000 0.63363889307211 132.905 > 4 16 Cs 0.42770893968244 0.50000000000000 0.63363889307211 132.905 > 4 17 Cs 0.18905856983255 0.25000000000000 0.07347299398018 132.905 > 5 18 Cs 0.18905856983255 0.75000000000000 0.07347299398018 132.905 > 5 19 Cs 0.18905856983255 0.25000000000000 0.57347299398018 132.905 > 5 20 Cs 0.18905856983255 0.75000000000000 0.57347299398018 132.905 > 5 21 Cs 0.36667388790822 0.25000000000000 0.29852663666397 132.905 > 6 22 Cs 0.36667388790822 0.75000000000000 0.29852663666397 132.905 > 6 23 Cs 0.36667388790822 0.25000000000000 0.79852663666397 132.905 > 6 24 Cs 0.36667388790822 0.75000000000000 0.79852663666397 132.905 > 6 25 Cs 0.57229106031756 0.00000000000000 0.36636110692789 132.905 > 1 26 Cs 0.57229106031756 0.50000000000000 0.36636110692789 132.905 > 1 27 Cs 0.57229106031756 0.00000000000000 0.86636110692789 132.905 > 1 28 Cs 0.57229106031756 0.50000000000000 0.86636110692789 132.905 > 1 29 Cs 0.63332611209178 0.25000000000000 0.20147336333603 132.905 > 2 30 Cs 0.63332611209178 0.75000000000000 0.20147336333603 132.905 > 2 31 Cs 0.63332611209178 0.25000000000000 0.70147336333603 132.905 > 2 32 Cs 0.63332611209178 0.75000000000000 0.70147336333603 132.905 > 2 33 Cs 0.81094143016745 0.25000000000000 0.42652700601982 132.905 > 3 34 Cs 0.81094143016745 0.75000000000000 0.42652700601982 132.905 > 3 35 Cs 0.81094143016745 0.25000000000000 0.92652700601982 132.905 > 3 36 Cs 0.81094143016745 0.75000000000000 0.92652700601982 132.905 > 3 37 Cs 0.92770893968244 0.25000000000000 0.13363889307211 132.905 > 4 38 Cs 0.92770893968244 0.75000000000000 0.13363889307211 132.905 > 4 39 Cs 0.92770893968244 0.25000000000000 0.63363889307211 132.905 > 4 40 Cs 0.92770893968244 0.75000000000000 0.63363889307211 132.905 > 4 41 Cs 0.68905856983255 0.00000000000000 0.07347299398018 132.905 > 5 42 Cs 0.68905856983255 0.50000000000000 0.07347299398018 132.905 > 5 43 Cs 0.68905856983255 0.00000000000000 0.57347299398018 132.905 > 5 44 Cs 0.68905856983255 0.50000000000000 0.57347299398018 132.905 > 5 45 Cs 0.86667388790822 0.00000000000000 0.29852663666397 132.905 > 6 46 Cs 0.86667388790822 0.50000000000000 0.29852663666397 132.905 > 6 47 Cs 0.86667388790822 0.00000000000000 0.79852663666397 132.905 > 6 48 Cs 0.86667388790822 0.50000000000000 0.79852663666397 132.905 > 6 *49 Li 0.41878202037415 0.25000000000000 0.02133539182470 6.941 > 7 50 Li 0.41878202037415 0.75000000000000 0.02133539182470 6.941 > 7 51 Li 0.41878202037415 0.25000000000000 0.52133539182470 6.941 > 7 52 Li 0.41878202037415 0.75000000000000 0.52133539182470 6.941 > 7 53 Li 0.08121797962585 0.00000000000000 0.47866460817530 6.941 > 8 54 Li 0.08121797962585 0.50000000000000 0.47866460817530 6.941 > 8 55 Li 0.08121797962585 0.00000000000000 0.97866460817530 6.941 > 8 56 Li 0.08121797962585 0.50000000000000 0.97866460817530 6.941 > 8 57 Li 0.91878202037415 0.00000000000000 0.02133539182470 6.941 > 7 58 Li 0.91878202037415 0.50000000000000 0.02133539182470 6.941 > 7 59 Li 0.91878202037415 0.00000000000000 0.52133539182470 6.941 > 7 60 Li 0.91878202037415 0.50000000000000 0.52133539182470 6.941 > 7 61 Li 0.58121797962585 0.25000000000000 0.47866460817530 6.941 > 8 62 Li 0.58121797962585 0.75000000000000 0.47866460817530 6.941 > 8 63 Li 0.58121797962585 0.25000000000000 0.97866460817530 6.941 > 8 64 Li 0.58121797962585 0.75000000000000 0.97866460817530 6.941 > 8 *65 F 0.14394062649464 0.25000000000000 0.22562478069139 18.998 > 9 66 F 0.14394062649464 0.75000000000000 0.22562478069139 18.998 > 9 67 F 0.14394062649464 0.25000000000000 0.72562478069139 18.998 > 9 68 F 0.14394062649464 0.75000000000000 0.72562478069139 18.998 > 9 *69 F 0.00000000000000 0.11727964156437 0.00000000000000 18.998 > 10 70 F 0.00000000000000 0.61727964156437 0.00000000000000 18.998 > 10 71 F 0.00000000000000 0.11727964156437 0.50000000000000 18.998 > 10 72 F 0.00000000000000 0.61727964156437 0.50000000000000 18.998 > 10 *73 F 0.08884371997425 0.00000000000000 0.37176365830994 18.998 > 11 74 F 0.08884371997425 0.50000000000000 0.37176365830994 18.998 > 11 75 F 0.08884371997425 0.00000000000000 0.87176365830994 18.998 > 11 76 F 0.08884371997425 0.50000000000000 0.87176365830994 18.998 > 11 *77 F 0.29379858697247 0.25000000000000 0.44628754350614 18.998 > 12 78 F 0.29379858697247 0.75000000000000 0.44628754350614 18.998 > 12 79 F 0.29379858697247 0.25000000000000 0.94628754350614 18.998 > 12 80 F 0.29379858697247 0.75000000000000 0.94628754350614 18.998 > 12 81 F 0.41115628002575 0.25000000000000 0.12823634169006 18.998 > 13 82 F 0.41115628002575 0.75000000000000 0.12823634169006 18.998 > 13 83 F 0.41115628002575 0.25000000000000 0.62823634169006 18.998 > 13 84 F 0.41115628002575 0.75000000000000 0.62823634169006 18.998 > 13 85 F 0.35605937350536 0.00000000000000 0.27437521930861 18.998 > 14 86 F 0.35605937350536 0.50000000000000 0.27437521930861 18.998 > 14 87 F 0.35605937350536 0.00000000000000 0.77437521930861 18.998 > 14 88 F 0.35605937350536 0.50000000000000 0.77437521930861 18.998 > 14 89 F 0.00000000000000 0.38272035843563 0.00000000000000 18.998 > 15 90 F 0.00000000000000 0.88272035843563 0.00000000000000 18.998 > 15 91 F 0.00000000000000 0.38272035843563 0.50000000000000 18.998 > 15 92 F 0.00000000000000 0.88272035843563 0.50000000000000 18.998 > 15 93 F 0.20620141302753 0.00000000000000 0.05371245649385 18.998 > 16 94 F 0.20620141302753 0.50000000000000 0.05371245649385 18.998 > 16 95 F 0.20620141302753 0.00000000000000 0.55371245649386 18.998 > 16 96 F 0.20620141302753 0.50000000000000 0.55371245649386 18.998 > 16 97 F 0.64394062649464 0.00000000000000 0.22562478069139 18.998 > 9 98 F 0.64394062649464 0.50000000000000 0.22562478069139 18.998 > 9 99 F 0.64394062649464 0.00000000000000 0.72562478069139 18.998 > 9 100 F 0.64394062649464 0.50000000000000 0.72562478069139 18.998 > 9 101 F 0.50000000000000 0.36727964156437 0.00000000000000 18.998 > 10 102 F 0.50000000000000 0.86727964156437 0.00000000000000 18.998 > 10 103 F 0.50000000000000 0.36727964156437 0.50000000000000 18.998 > 10 104 F 0.50000000000000 0.86727964156437 0.50000000000000 18.998 > 10 105 F 0.58884371997425 0.25000000000000 0.37176365830994 18.998 > 11 106 F 0.58884371997425 0.75000000000000 0.37176365830994 18.998 > 11 107 F 0.58884371997425 0.25000000000000 0.87176365830994 18.998 > 11 108 F 0.58884371997425 0.75000000000000 0.87176365830994 18.998 > 11 109 F 0.79379858697247 0.00000000000000 0.44628754350614 18.998 > 12 110 F 0.79379858697247 0.50000000000000 0.44628754350614 18.998 > 12 111 F 0.79379858697247 0.00000000000000 0.94628754350614 18.998 > 12 112 F 0.79379858697247 0.50000000000000 0.94628754350614 18.998 > 12 113 F 0.91115628002575 0.00000000000000 0.12823634169006 18.998 > 13 114 F 0.91115628002575 0.50000000000000 0.12823634169006 18.998 > 13 115 F 0.91115628002575 0.00000000000000 0.62823634169006 18.998 > 13 116 F 0.91115628002575 0.50000000000000 0.62823634169006 18.998 > 13 117 F 0.85605937350536 0.25000000000000 0.27437521930861 18.998 > 14 118 F 0.85605937350536 0.75000000000000 0.27437521930861 18.998 > 14 119 F 0.85605937350536 0.25000000000000 0.77437521930861 18.998 > 14 120 F 0.85605937350536 0.75000000000000 0.77437521930861 18.998 > 14 121 F 0.50000000000000 0.13272035843563 0.00000000000000 18.998 > 15 122 F 0.50000000000000 0.63272035843563 0.00000000000000 18.998 > 15 123 F 0.50000000000000 0.13272035843563 0.50000000000000 18.998 > 15 124 F 0.50000000000000 0.63272035843563 0.50000000000000 18.998 > 15 125 F 0.70620141302753 0.25000000000000 0.05371245649385 18.998 > 16 126 F 0.70620141302753 0.75000000000000 0.05371245649385 18.998 > 16 127 F 0.70620141302753 0.25000000000000 0.55371245649386 18.998 > 16 128 F 0.70620141302753 0.75000000000000 0.55371245649386 18.998 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4092943 0.0000000 -0.0038057 0.0000000 2.3997668 0.0000000 -0.0038059 0.0000000 2.4191826 -------------------------- Born effective charges -------------------------- 1 Cs 1.3639675 0.0000000 -0.0588490 0.0000000 1.3204358 0.0000000 -0.0670649 0.0000000 1.3192323 2 Cs 1.3575481 0.0000000 0.0371826 0.0000000 1.3273001 0.0000000 0.0467221 0.0000000 1.3203973 3 Cs 1.4382538 0.0000000 -0.0342173 0.0000000 1.3044615 0.0000000 -0.0402019 0.0000000 1.2598270 4 Cs 1.3639675 0.0000000 -0.0588490 0.0000000 1.3204358 0.0000000 -0.0670649 0.0000000 1.3192323 5 Cs 1.4382538 0.0000000 -0.0342173 0.0000000 1.3044615 0.0000000 -0.0402019 0.0000000 1.2598270 6 Cs 1.3575481 0.0000000 0.0371826 0.0000000 1.3273001 0.0000000 0.0467221 0.0000000 1.3203973 7 Li 1.0031573 0.0000000 0.0066954 0.0000000 1.0215421 0.0000000 -0.0016802 0.0000000 1.0012753 8 Li 1.0031573 0.0000000 0.0066954 0.0000000 1.0215421 0.0000000 -0.0016802 0.0000000 1.0012753 9 F -1.3324604 0.0000000 0.0580344 0.0000000 -1.2608250 0.0000000 0.0518185 0.0000000 -1.4072662 10 F -1.2457507 0.0000000 -0.0124928 0.0000000 -1.1659256 0.0000000 0.0018087 0.0000000 -1.1129239 11 F -1.3124301 0.0000000 -0.0885896 0.0000000 -1.2964351 0.0000000 -0.0830150 0.0000000 -1.1417910 12 F -1.2722856 0.0000000 0.0922364 0.0000000 -1.2505537 0.0000000 0.0916128 0.0000000 -1.2387507 13 F -1.3124301 0.0000000 -0.0885896 0.0000000 -1.2964351 0.0000000 -0.0830150 0.0000000 -1.1417910 14 F -1.3324604 0.0000000 0.0580344 0.0000000 -1.2608250 0.0000000 0.0518185 0.0000000 -1.4072662 15 F -1.2457507 0.0000000 -0.0124928 0.0000000 -1.1659256 0.0000000 0.0018087 0.0000000 -1.1129239 16 F -1.2722856 0.0000000 0.0922364 0.0000000 -1.2505537 0.0000000 0.0916128 0.0000000 -1.2387507 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 11280/11280 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2550 Number of blocks in projector: 2550 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 716 Use submatrix version of eigh solver. (1) Block: 500 / 716 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 716 / 716 (1) 203 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 406 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 406 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 406 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 308 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 308 Use standard eigh solver. Tree of FC basis block matrices: - (2550, 2511), data: False |-- (308, 308), data: True |-- (308, 308), data: True |-- (406, 398), data: True |-- (406, 398), data: True |-- (406, 398), data: True |-- (716, 701), data: False |-- (716, 13), data: (716, 28) @ (28, 13) |-- (216, 203), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 235), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 480 - Time: 1.574 Solver_block: 200 / 480 - Time: 1.595 Solver_block: 300 / 480 - Time: 1.934 Solver_block: 400 / 480 - Time: 1.007 Solver_block: 480 / 480 - Time: 0.657 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.176 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 11280/11280 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2550 Number of blocks in projector: 2550 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 716 Use submatrix version of eigh solver. (1) Block: 500 / 716 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 716 / 716 (1) 203 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 406 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 406 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 406 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 308 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 308 Use standard eigh solver. Tree of FC basis block matrices: - (2550, 2511), data: False |-- (308, 308), data: True |-- (308, 308), data: True |-- (406, 398), data: True |-- (406, 398), data: True |-- (406, 398), data: True |-- (716, 701), data: False |-- (716, 13), data: (716, 28) @ (28, 13) |-- (216, 203), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 235), data: True |-- (250, 237), 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 15:12:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:12:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.762722727865983 -2.993940775000000 0.000000000000000 b 6.762722727865983 2.993940775000000 0.000000000000000 c -2.104832965492530 0.000000000000000 8.538902192197634 Atomic positions (fractional): 1 Cs 0.57229106031756 0.57229106031756 0.73272221385577 132.905 2 Cs 0.13332611209178 0.13332611209178 0.40294672667205 132.905 3 Cs 0.31094143016745 0.31094143016745 0.85305401203964 132.905 4 Cs 0.42770893968244 0.42770893968244 0.26727778614423 132.905 5 Cs 0.68905856983255 0.68905856983255 0.14694598796036 132.905 6 Cs 0.86667388790822 0.86667388790822 0.59705327332795 132.905 7 Li 0.91878202037415 0.91878202037415 0.04267078364941 6.941 8 Li 0.08121797962585 0.08121797962585 0.95732921635059 6.941 9 F 0.64394062649464 0.64394062649464 0.45124956138279 18.998 10 F 0.76544071687127 0.23455928312873 0.00000000000000 18.998 11 F 0.08884371997425 0.08884371997425 0.74352731661988 18.998 12 F 0.79379858697247 0.79379858697247 0.89257508701229 18.998 13 F 0.91115628002575 0.91115628002575 0.25647268338012 18.998 14 F 0.35605937350536 0.35605937350536 0.54875043861721 18.998 15 F 0.23455928312873 0.76544071687127 0.00000000000000 18.998 16 F 0.20620141302753 0.20620141302753 0.10742491298771 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.525445455731965 0.000000000000000 0.000000000000000 b 0.000000000000000 11.975763099999998 0.000000000000000 c -4.209665930985060 0.000000000000000 17.077804384395268 Atomic positions (fractional): 1 Cs 0.07229106031756 0.25000000000000 0.36636110692789 132.905 > 1 2 Cs 0.07229106031756 0.75000000000000 0.36636110692789 132.905 > 1 3 Cs 0.07229106031756 0.25000000000000 0.86636110692789 132.905 > 1 4 Cs 0.07229106031756 0.75000000000000 0.86636110692789 132.905 > 1 5 Cs 0.13332611209178 0.00000000000000 0.20147336333603 132.905 > 5 6 Cs 0.13332611209178 0.50000000000000 0.20147336333603 132.905 > 5 7 Cs 0.13332611209178 0.00000000000000 0.70147336333603 132.905 > 5 8 Cs 0.13332611209178 0.50000000000000 0.70147336333603 132.905 > 5 9 Cs 0.31094143016745 0.00000000000000 0.42652700601982 132.905 > 9 10 Cs 0.31094143016745 0.50000000000000 0.42652700601982 132.905 > 9 11 Cs 0.31094143016745 0.00000000000000 0.92652700601982 132.905 > 9 12 Cs 0.31094143016745 0.50000000000000 0.92652700601982 132.905 > 9 13 Cs 0.42770893968244 0.00000000000000 0.13363889307211 132.905 > 13 14 Cs 0.42770893968244 0.50000000000000 0.13363889307211 132.905 > 13 15 Cs 0.42770893968244 0.00000000000000 0.63363889307211 132.905 > 13 16 Cs 0.42770893968244 0.50000000000000 0.63363889307211 132.905 > 13 17 Cs 0.18905856983255 0.25000000000000 0.07347299398018 132.905 > 17 18 Cs 0.18905856983255 0.75000000000000 0.07347299398018 132.905 > 17 19 Cs 0.18905856983255 0.25000000000000 0.57347299398018 132.905 > 17 20 Cs 0.18905856983255 0.75000000000000 0.57347299398018 132.905 > 17 21 Cs 0.36667388790822 0.25000000000000 0.29852663666397 132.905 > 21 22 Cs 0.36667388790822 0.75000000000000 0.29852663666397 132.905 > 21 23 Cs 0.36667388790822 0.25000000000000 0.79852663666397 132.905 > 21 24 Cs 0.36667388790822 0.75000000000000 0.79852663666397 132.905 > 21 25 Cs 0.57229106031756 0.00000000000000 0.36636110692789 132.905 > 1 26 Cs 0.57229106031756 0.50000000000000 0.36636110692789 132.905 > 1 27 Cs 0.57229106031756 0.00000000000000 0.86636110692789 132.905 > 1 28 Cs 0.57229106031756 0.50000000000000 0.86636110692789 132.905 > 1 29 Cs 0.63332611209178 0.25000000000000 0.20147336333603 132.905 > 5 30 Cs 0.63332611209178 0.75000000000000 0.20147336333603 132.905 > 5 31 Cs 0.63332611209178 0.25000000000000 0.70147336333603 132.905 > 5 32 Cs 0.63332611209178 0.75000000000000 0.70147336333603 132.905 > 5 33 Cs 0.81094143016745 0.25000000000000 0.42652700601982 132.905 > 9 34 Cs 0.81094143016745 0.75000000000000 0.42652700601982 132.905 > 9 35 Cs 0.81094143016745 0.25000000000000 0.92652700601982 132.905 > 9 36 Cs 0.81094143016745 0.75000000000000 0.92652700601982 132.905 > 9 37 Cs 0.92770893968244 0.25000000000000 0.13363889307211 132.905 > 13 38 Cs 0.92770893968244 0.75000000000000 0.13363889307211 132.905 > 13 39 Cs 0.92770893968244 0.25000000000000 0.63363889307211 132.905 > 13 40 Cs 0.92770893968244 0.75000000000000 0.63363889307211 132.905 > 13 41 Cs 0.68905856983255 0.00000000000000 0.07347299398018 132.905 > 17 42 Cs 0.68905856983255 0.50000000000000 0.07347299398018 132.905 > 17 43 Cs 0.68905856983255 0.00000000000000 0.57347299398018 132.905 > 17 44 Cs 0.68905856983255 0.50000000000000 0.57347299398018 132.905 > 17 45 Cs 0.86667388790822 0.00000000000000 0.29852663666397 132.905 > 21 46 Cs 0.86667388790822 0.50000000000000 0.29852663666397 132.905 > 21 47 Cs 0.86667388790822 0.00000000000000 0.79852663666397 132.905 > 21 48 Cs 0.86667388790822 0.50000000000000 0.79852663666397 132.905 > 21 49 Li 0.41878202037415 0.25000000000000 0.02133539182470 6.941 > 49 50 Li 0.41878202037415 0.75000000000000 0.02133539182470 6.941 > 49 51 Li 0.41878202037415 0.25000000000000 0.52133539182470 6.941 > 49 52 Li 0.41878202037415 0.75000000000000 0.52133539182470 6.941 > 49 53 Li 0.08121797962585 0.00000000000000 0.47866460817530 6.941 > 53 54 Li 0.08121797962585 0.50000000000000 0.47866460817530 6.941 > 53 55 Li 0.08121797962585 0.00000000000000 0.97866460817530 6.941 > 53 56 Li 0.08121797962585 0.50000000000000 0.97866460817530 6.941 > 53 57 Li 0.91878202037415 0.00000000000000 0.02133539182470 6.941 > 49 58 Li 0.91878202037415 0.50000000000000 0.02133539182470 6.941 > 49 59 Li 0.91878202037415 0.00000000000000 0.52133539182470 6.941 > 49 60 Li 0.91878202037415 0.50000000000000 0.52133539182470 6.941 > 49 61 Li 0.58121797962585 0.25000000000000 0.47866460817530 6.941 > 53 62 Li 0.58121797962585 0.75000000000000 0.47866460817530 6.941 > 53 63 Li 0.58121797962585 0.25000000000000 0.97866460817530 6.941 > 53 64 Li 0.58121797962585 0.75000000000000 0.97866460817530 6.941 > 53 65 F 0.14394062649464 0.25000000000000 0.22562478069139 18.998 > 65 66 F 0.14394062649464 0.75000000000000 0.22562478069139 18.998 > 65 67 F 0.14394062649464 0.25000000000000 0.72562478069139 18.998 > 65 68 F 0.14394062649464 0.75000000000000 0.72562478069139 18.998 > 65 69 F 0.00000000000000 0.11727964156437 0.00000000000000 18.998 > 69 70 F 0.00000000000000 0.61727964156437 0.00000000000000 18.998 > 69 71 F 0.00000000000000 0.11727964156437 0.50000000000000 18.998 > 69 72 F 0.00000000000000 0.61727964156437 0.50000000000000 18.998 > 69 73 F 0.08884371997425 0.00000000000000 0.37176365830994 18.998 > 73 74 F 0.08884371997425 0.50000000000000 0.37176365830994 18.998 > 73 75 F 0.08884371997425 0.00000000000000 0.87176365830994 18.998 > 73 76 F 0.08884371997425 0.50000000000000 0.87176365830994 18.998 > 73 77 F 0.29379858697247 0.25000000000000 0.44628754350614 18.998 > 77 78 F 0.29379858697247 0.75000000000000 0.44628754350614 18.998 > 77 79 F 0.29379858697247 0.25000000000000 0.94628754350614 18.998 > 77 80 F 0.29379858697247 0.75000000000000 0.94628754350614 18.998 > 77 81 F 0.41115628002575 0.25000000000000 0.12823634169006 18.998 > 81 82 F 0.41115628002575 0.75000000000000 0.12823634169006 18.998 > 81 83 F 0.41115628002575 0.25000000000000 0.62823634169006 18.998 > 81 84 F 0.41115628002575 0.75000000000000 0.62823634169006 18.998 > 81 85 F 0.35605937350536 0.00000000000000 0.27437521930861 18.998 > 85 86 F 0.35605937350536 0.50000000000000 0.27437521930861 18.998 > 85 87 F 0.35605937350536 0.00000000000000 0.77437521930861 18.998 > 85 88 F 0.35605937350536 0.50000000000000 0.77437521930861 18.998 > 85 89 F 0.00000000000000 0.38272035843563 0.00000000000000 18.998 > 89 90 F 0.00000000000000 0.88272035843563 0.00000000000000 18.998 > 89 91 F 0.00000000000000 0.38272035843563 0.50000000000000 18.998 > 89 92 F 0.00000000000000 0.88272035843563 0.50000000000000 18.998 > 89 93 F 0.20620141302753 0.00000000000000 0.05371245649385 18.998 > 93 94 F 0.20620141302753 0.50000000000000 0.05371245649385 18.998 > 93 95 F 0.20620141302753 0.00000000000000 0.55371245649386 18.998 > 93 96 F 0.20620141302753 0.50000000000000 0.55371245649386 18.998 > 93 97 F 0.64394062649464 0.00000000000000 0.22562478069139 18.998 > 65 98 F 0.64394062649464 0.50000000000000 0.22562478069139 18.998 > 65 99 F 0.64394062649464 0.00000000000000 0.72562478069139 18.998 > 65 100 F 0.64394062649464 0.50000000000000 0.72562478069139 18.998 > 65 101 F 0.50000000000000 0.36727964156437 0.00000000000000 18.998 > 69 102 F 0.50000000000000 0.86727964156437 0.00000000000000 18.998 > 69 103 F 0.50000000000000 0.36727964156437 0.50000000000000 18.998 > 69 104 F 0.50000000000000 0.86727964156437 0.50000000000000 18.998 > 69 105 F 0.58884371997425 0.25000000000000 0.37176365830994 18.998 > 73 106 F 0.58884371997425 0.75000000000000 0.37176365830994 18.998 > 73 107 F 0.58884371997425 0.25000000000000 0.87176365830994 18.998 > 73 108 F 0.58884371997425 0.75000000000000 0.87176365830994 18.998 > 73 109 F 0.79379858697247 0.00000000000000 0.44628754350614 18.998 > 77 110 F 0.79379858697247 0.50000000000000 0.44628754350614 18.998 > 77 111 F 0.79379858697247 0.00000000000000 0.94628754350614 18.998 > 77 112 F 0.79379858697247 0.50000000000000 0.94628754350614 18.998 > 77 113 F 0.91115628002575 0.00000000000000 0.12823634169006 18.998 > 81 114 F 0.91115628002575 0.50000000000000 0.12823634169006 18.998 > 81 115 F 0.91115628002575 0.00000000000000 0.62823634169006 18.998 > 81 116 F 0.91115628002575 0.50000000000000 0.62823634169006 18.998 > 81 117 F 0.85605937350536 0.25000000000000 0.27437521930861 18.998 > 85 118 F 0.85605937350536 0.75000000000000 0.27437521930861 18.998 > 85 119 F 0.85605937350536 0.25000000000000 0.77437521930861 18.998 > 85 120 F 0.85605937350536 0.75000000000000 0.77437521930861 18.998 > 85 121 F 0.50000000000000 0.13272035843563 0.00000000000000 18.998 > 89 122 F 0.50000000000000 0.63272035843563 0.00000000000000 18.998 > 89 123 F 0.50000000000000 0.13272035843563 0.50000000000000 18.998 > 89 124 F 0.50000000000000 0.63272035843563 0.50000000000000 18.998 > 89 125 F 0.70620141302753 0.25000000000000 0.05371245649385 18.998 > 93 126 F 0.70620141302753 0.75000000000000 0.05371245649385 18.998 > 93 127 F 0.70620141302753 0.25000000000000 0.55371245649386 18.998 > 93 128 F 0.70620141302753 0.75000000000000 0.55371245649386 18.998 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4092943 0.0000000 -0.0038057 0.0000000 2.3997668 0.0000000 -0.0038059 0.0000000 2.4191826 -------------------------- Born effective charges -------------------------- 1 Cs 1.3639675 0.0000000 -0.0588490 0.0000000 1.3204358 0.0000000 -0.0670649 0.0000000 1.3192323 2 Cs 1.3575481 0.0000000 0.0371826 0.0000000 1.3273001 0.0000000 0.0467221 0.0000000 1.3203973 3 Cs 1.4382538 0.0000000 -0.0342173 0.0000000 1.3044615 0.0000000 -0.0402019 0.0000000 1.2598270 4 Cs 1.3639675 0.0000000 -0.0588490 0.0000000 1.3204358 0.0000000 -0.0670649 0.0000000 1.3192323 5 Cs 1.4382538 0.0000000 -0.0342173 0.0000000 1.3044615 0.0000000 -0.0402019 0.0000000 1.2598270 6 Cs 1.3575481 0.0000000 0.0371826 0.0000000 1.3273001 0.0000000 0.0467221 0.0000000 1.3203973 7 Li 1.0031573 0.0000000 0.0066954 0.0000000 1.0215421 0.0000000 -0.0016802 0.0000000 1.0012753 8 Li 1.0031573 0.0000000 0.0066954 0.0000000 1.0215421 0.0000000 -0.0016802 0.0000000 1.0012753 9 F -1.3324604 0.0000000 0.0580344 0.0000000 -1.2608250 0.0000000 0.0518185 0.0000000 -1.4072662 10 F -1.2457507 0.0000000 -0.0124928 0.0000000 -1.1659256 0.0000000 0.0018087 0.0000000 -1.1129239 11 F -1.3124301 0.0000000 -0.0885896 0.0000000 -1.2964351 0.0000000 -0.0830150 0.0000000 -1.1417910 12 F -1.2722856 0.0000000 0.0922364 0.0000000 -1.2505537 0.0000000 0.0916128 0.0000000 -1.2387507 13 F -1.3124301 0.0000000 -0.0885896 0.0000000 -1.2964351 0.0000000 -0.0830150 0.0000000 -1.1417910 14 F -1.3324604 0.0000000 0.0580344 0.0000000 -1.2608250 0.0000000 0.0518185 0.0000000 -1.4072662 15 F -1.2457507 0.0000000 -0.0124928 0.0000000 -1.1659256 0.0000000 0.0018087 0.0000000 -1.1129239 16 F -1.2722856 0.0000000 0.0922364 0.0000000 -1.2505537 0.0000000 0.0916128 0.0000000 -1.2387507 ---------------------------------------------------------------------------- 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 5, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 9, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 69, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 77, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): 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 15:13:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:13:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.762722727865983 -2.993940775000000 0.000000000000000 b 6.762722727865983 2.993940775000000 0.000000000000000 c -2.104832965492530 0.000000000000000 8.538902192197634 Atomic positions (fractional): 1 Cs 0.57229106031756 0.57229106031756 0.73272221385577 132.905 2 Cs 0.13332611209178 0.13332611209178 0.40294672667205 132.905 3 Cs 0.31094143016745 0.31094143016745 0.85305401203964 132.905 4 Cs 0.42770893968244 0.42770893968244 0.26727778614423 132.905 5 Cs 0.68905856983255 0.68905856983255 0.14694598796036 132.905 6 Cs 0.86667388790822 0.86667388790822 0.59705327332795 132.905 7 Li 0.91878202037415 0.91878202037415 0.04267078364941 6.941 8 Li 0.08121797962585 0.08121797962585 0.95732921635059 6.941 9 F 0.64394062649464 0.64394062649464 0.45124956138279 18.998 10 F 0.76544071687127 0.23455928312873 0.00000000000000 18.998 11 F 0.08884371997425 0.08884371997425 0.74352731661988 18.998 12 F 0.79379858697247 0.79379858697247 0.89257508701229 18.998 13 F 0.91115628002575 0.91115628002575 0.25647268338012 18.998 14 F 0.35605937350536 0.35605937350536 0.54875043861721 18.998 15 F 0.23455928312873 0.76544071687127 0.00000000000000 18.998 16 F 0.20620141302753 0.20620141302753 0.10742491298771 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.525445455731965 0.000000000000000 0.000000000000000 b 0.000000000000000 11.975763099999998 0.000000000000000 c -4.209665930985060 0.000000000000000 17.077804384395268 Atomic positions (fractional): 1 Cs 0.07229106031756 0.25000000000000 0.36636110692789 132.905 > 1 2 Cs 0.07229106031756 0.75000000000000 0.36636110692789 132.905 > 1 3 Cs 0.07229106031756 0.25000000000000 0.86636110692789 132.905 > 1 4 Cs 0.07229106031756 0.75000000000000 0.86636110692789 132.905 > 1 5 Cs 0.13332611209178 0.00000000000000 0.20147336333603 132.905 > 5 6 Cs 0.13332611209178 0.50000000000000 0.20147336333603 132.905 > 5 7 Cs 0.13332611209178 0.00000000000000 0.70147336333603 132.905 > 5 8 Cs 0.13332611209178 0.50000000000000 0.70147336333603 132.905 > 5 9 Cs 0.31094143016745 0.00000000000000 0.42652700601982 132.905 > 9 10 Cs 0.31094143016745 0.50000000000000 0.42652700601982 132.905 > 9 11 Cs 0.31094143016745 0.00000000000000 0.92652700601982 132.905 > 9 12 Cs 0.31094143016745 0.50000000000000 0.92652700601982 132.905 > 9 13 Cs 0.42770893968244 0.00000000000000 0.13363889307211 132.905 > 13 14 Cs 0.42770893968244 0.50000000000000 0.13363889307211 132.905 > 13 15 Cs 0.42770893968244 0.00000000000000 0.63363889307211 132.905 > 13 16 Cs 0.42770893968244 0.50000000000000 0.63363889307211 132.905 > 13 17 Cs 0.18905856983255 0.25000000000000 0.07347299398018 132.905 > 17 18 Cs 0.18905856983255 0.75000000000000 0.07347299398018 132.905 > 17 19 Cs 0.18905856983255 0.25000000000000 0.57347299398018 132.905 > 17 20 Cs 0.18905856983255 0.75000000000000 0.57347299398018 132.905 > 17 21 Cs 0.36667388790822 0.25000000000000 0.29852663666397 132.905 > 21 22 Cs 0.36667388790822 0.75000000000000 0.29852663666397 132.905 > 21 23 Cs 0.36667388790822 0.25000000000000 0.79852663666397 132.905 > 21 24 Cs 0.36667388790822 0.75000000000000 0.79852663666397 132.905 > 21 25 Cs 0.57229106031756 0.00000000000000 0.36636110692789 132.905 > 1 26 Cs 0.57229106031756 0.50000000000000 0.36636110692789 132.905 > 1 27 Cs 0.57229106031756 0.00000000000000 0.86636110692789 132.905 > 1 28 Cs 0.57229106031756 0.50000000000000 0.86636110692789 132.905 > 1 29 Cs 0.63332611209178 0.25000000000000 0.20147336333603 132.905 > 5 30 Cs 0.63332611209178 0.75000000000000 0.20147336333603 132.905 > 5 31 Cs 0.63332611209178 0.25000000000000 0.70147336333603 132.905 > 5 32 Cs 0.63332611209178 0.75000000000000 0.70147336333603 132.905 > 5 33 Cs 0.81094143016745 0.25000000000000 0.42652700601982 132.905 > 9 34 Cs 0.81094143016745 0.75000000000000 0.42652700601982 132.905 > 9 35 Cs 0.81094143016745 0.25000000000000 0.92652700601982 132.905 > 9 36 Cs 0.81094143016745 0.75000000000000 0.92652700601982 132.905 > 9 37 Cs 0.92770893968244 0.25000000000000 0.13363889307211 132.905 > 13 38 Cs 0.92770893968244 0.75000000000000 0.13363889307211 132.905 > 13 39 Cs 0.92770893968244 0.25000000000000 0.63363889307211 132.905 > 13 40 Cs 0.92770893968244 0.75000000000000 0.63363889307211 132.905 > 13 41 Cs 0.68905856983255 0.00000000000000 0.07347299398018 132.905 > 17 42 Cs 0.68905856983255 0.50000000000000 0.07347299398018 132.905 > 17 43 Cs 0.68905856983255 0.00000000000000 0.57347299398018 132.905 > 17 44 Cs 0.68905856983255 0.50000000000000 0.57347299398018 132.905 > 17 45 Cs 0.86667388790822 0.00000000000000 0.29852663666397 132.905 > 21 46 Cs 0.86667388790822 0.50000000000000 0.29852663666397 132.905 > 21 47 Cs 0.86667388790822 0.00000000000000 0.79852663666397 132.905 > 21 48 Cs 0.86667388790822 0.50000000000000 0.79852663666397 132.905 > 21 49 Li 0.41878202037415 0.25000000000000 0.02133539182470 6.941 > 49 50 Li 0.41878202037415 0.75000000000000 0.02133539182470 6.941 > 49 51 Li 0.41878202037415 0.25000000000000 0.52133539182470 6.941 > 49 52 Li 0.41878202037415 0.75000000000000 0.52133539182470 6.941 > 49 53 Li 0.08121797962585 0.00000000000000 0.47866460817530 6.941 > 53 54 Li 0.08121797962585 0.50000000000000 0.47866460817530 6.941 > 53 55 Li 0.08121797962585 0.00000000000000 0.97866460817530 6.941 > 53 56 Li 0.08121797962585 0.50000000000000 0.97866460817530 6.941 > 53 57 Li 0.91878202037415 0.00000000000000 0.02133539182470 6.941 > 49 58 Li 0.91878202037415 0.50000000000000 0.02133539182470 6.941 > 49 59 Li 0.91878202037415 0.00000000000000 0.52133539182470 6.941 > 49 60 Li 0.91878202037415 0.50000000000000 0.52133539182470 6.941 > 49 61 Li 0.58121797962585 0.25000000000000 0.47866460817530 6.941 > 53 62 Li 0.58121797962585 0.75000000000000 0.47866460817530 6.941 > 53 63 Li 0.58121797962585 0.25000000000000 0.97866460817530 6.941 > 53 64 Li 0.58121797962585 0.75000000000000 0.97866460817530 6.941 > 53 65 F 0.14394062649464 0.25000000000000 0.22562478069139 18.998 > 65 66 F 0.14394062649464 0.75000000000000 0.22562478069139 18.998 > 65 67 F 0.14394062649464 0.25000000000000 0.72562478069139 18.998 > 65 68 F 0.14394062649464 0.75000000000000 0.72562478069139 18.998 > 65 69 F 0.00000000000000 0.11727964156437 0.00000000000000 18.998 > 69 70 F 0.00000000000000 0.61727964156437 0.00000000000000 18.998 > 69 71 F 0.00000000000000 0.11727964156437 0.50000000000000 18.998 > 69 72 F 0.00000000000000 0.61727964156437 0.50000000000000 18.998 > 69 73 F 0.08884371997425 0.00000000000000 0.37176365830994 18.998 > 73 74 F 0.08884371997425 0.50000000000000 0.37176365830994 18.998 > 73 75 F 0.08884371997425 0.00000000000000 0.87176365830994 18.998 > 73 76 F 0.08884371997425 0.50000000000000 0.87176365830994 18.998 > 73 77 F 0.29379858697247 0.25000000000000 0.44628754350614 18.998 > 77 78 F 0.29379858697247 0.75000000000000 0.44628754350614 18.998 > 77 79 F 0.29379858697247 0.25000000000000 0.94628754350614 18.998 > 77 80 F 0.29379858697247 0.75000000000000 0.94628754350614 18.998 > 77 81 F 0.41115628002575 0.25000000000000 0.12823634169006 18.998 > 81 82 F 0.41115628002575 0.75000000000000 0.12823634169006 18.998 > 81 83 F 0.41115628002575 0.25000000000000 0.62823634169006 18.998 > 81 84 F 0.41115628002575 0.75000000000000 0.62823634169006 18.998 > 81 85 F 0.35605937350536 0.00000000000000 0.27437521930861 18.998 > 85 86 F 0.35605937350536 0.50000000000000 0.27437521930861 18.998 > 85 87 F 0.35605937350536 0.00000000000000 0.77437521930861 18.998 > 85 88 F 0.35605937350536 0.50000000000000 0.77437521930861 18.998 > 85 89 F 0.00000000000000 0.38272035843563 0.00000000000000 18.998 > 89 90 F 0.00000000000000 0.88272035843563 0.00000000000000 18.998 > 89 91 F 0.00000000000000 0.38272035843563 0.50000000000000 18.998 > 89 92 F 0.00000000000000 0.88272035843563 0.50000000000000 18.998 > 89 93 F 0.20620141302753 0.00000000000000 0.05371245649385 18.998 > 93 94 F 0.20620141302753 0.50000000000000 0.05371245649385 18.998 > 93 95 F 0.20620141302753 0.00000000000000 0.55371245649386 18.998 > 93 96 F 0.20620141302753 0.50000000000000 0.55371245649386 18.998 > 93 97 F 0.64394062649464 0.00000000000000 0.22562478069139 18.998 > 65 98 F 0.64394062649464 0.50000000000000 0.22562478069139 18.998 > 65 99 F 0.64394062649464 0.00000000000000 0.72562478069139 18.998 > 65 100 F 0.64394062649464 0.50000000000000 0.72562478069139 18.998 > 65 101 F 0.50000000000000 0.36727964156437 0.00000000000000 18.998 > 69 102 F 0.50000000000000 0.86727964156437 0.00000000000000 18.998 > 69 103 F 0.50000000000000 0.36727964156437 0.50000000000000 18.998 > 69 104 F 0.50000000000000 0.86727964156437 0.50000000000000 18.998 > 69 105 F 0.58884371997425 0.25000000000000 0.37176365830994 18.998 > 73 106 F 0.58884371997425 0.75000000000000 0.37176365830994 18.998 > 73 107 F 0.58884371997425 0.25000000000000 0.87176365830994 18.998 > 73 108 F 0.58884371997425 0.75000000000000 0.87176365830994 18.998 > 73 109 F 0.79379858697247 0.00000000000000 0.44628754350614 18.998 > 77 110 F 0.79379858697247 0.50000000000000 0.44628754350614 18.998 > 77 111 F 0.79379858697247 0.00000000000000 0.94628754350614 18.998 > 77 112 F 0.79379858697247 0.50000000000000 0.94628754350614 18.998 > 77 113 F 0.91115628002575 0.00000000000000 0.12823634169006 18.998 > 81 114 F 0.91115628002575 0.50000000000000 0.12823634169006 18.998 > 81 115 F 0.91115628002575 0.00000000000000 0.62823634169006 18.998 > 81 116 F 0.91115628002575 0.50000000000000 0.62823634169006 18.998 > 81 117 F 0.85605937350536 0.25000000000000 0.27437521930861 18.998 > 85 118 F 0.85605937350536 0.75000000000000 0.27437521930861 18.998 > 85 119 F 0.85605937350536 0.25000000000000 0.77437521930861 18.998 > 85 120 F 0.85605937350536 0.75000000000000 0.77437521930861 18.998 > 85 121 F 0.50000000000000 0.13272035843563 0.00000000000000 18.998 > 89 122 F 0.50000000000000 0.63272035843563 0.00000000000000 18.998 > 89 123 F 0.50000000000000 0.13272035843563 0.50000000000000 18.998 > 89 124 F 0.50000000000000 0.63272035843563 0.50000000000000 18.998 > 89 125 F 0.70620141302753 0.25000000000000 0.05371245649385 18.998 > 93 126 F 0.70620141302753 0.75000000000000 0.05371245649385 18.998 > 93 127 F 0.70620141302753 0.25000000000000 0.55371245649386 18.998 > 93 128 F 0.70620141302753 0.75000000000000 0.55371245649386 18.998 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4092943 0.0000000 -0.0038057 0.0000000 2.3997668 0.0000000 -0.0038059 0.0000000 2.4191826 -------------------------- Born effective charges -------------------------- 1 Cs 1.3639675 0.0000000 -0.0588490 0.0000000 1.3204358 0.0000000 -0.0670649 0.0000000 1.3192323 2 Cs 1.3575481 0.0000000 0.0371826 0.0000000 1.3273001 0.0000000 0.0467221 0.0000000 1.3203973 3 Cs 1.4382538 0.0000000 -0.0342173 0.0000000 1.3044615 0.0000000 -0.0402019 0.0000000 1.2598270 4 Cs 1.3639675 0.0000000 -0.0588490 0.0000000 1.3204358 0.0000000 -0.0670649 0.0000000 1.3192323 5 Cs 1.4382538 0.0000000 -0.0342173 0.0000000 1.3044615 0.0000000 -0.0402019 0.0000000 1.2598270 6 Cs 1.3575481 0.0000000 0.0371826 0.0000000 1.3273001 0.0000000 0.0467221 0.0000000 1.3203973 7 Li 1.0031573 0.0000000 0.0066954 0.0000000 1.0215421 0.0000000 -0.0016802 0.0000000 1.0012753 8 Li 1.0031573 0.0000000 0.0066954 0.0000000 1.0215421 0.0000000 -0.0016802 0.0000000 1.0012753 9 F -1.3324604 0.0000000 0.0580344 0.0000000 -1.2608250 0.0000000 0.0518185 0.0000000 -1.4072662 10 F -1.2457507 0.0000000 -0.0124928 0.0000000 -1.1659256 0.0000000 0.0018087 0.0000000 -1.1129239 11 F -1.3124301 0.0000000 -0.0885896 0.0000000 -1.2964351 0.0000000 -0.0830150 0.0000000 -1.1417910 12 F -1.2722856 0.0000000 0.0922364 0.0000000 -1.2505537 0.0000000 0.0916128 0.0000000 -1.2387507 13 F -1.3124301 0.0000000 -0.0885896 0.0000000 -1.2964351 0.0000000 -0.0830150 0.0000000 -1.1417910 14 F -1.3324604 0.0000000 0.0580344 0.0000000 -1.2608250 0.0000000 0.0518185 0.0000000 -1.4072662 15 F -1.2457507 0.0000000 -0.0124928 0.0000000 -1.1659256 0.0000000 0.0018087 0.0000000 -1.1129239 16 F -1.2722856 0.0000000 0.0922364 0.0000000 -1.2505537 0.0000000 0.0916128 0.0000000 -1.2387507 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) 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 ... [ 9 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 295, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.252 ( 0.000 0.000 0.000) 0.000 1.296 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.508 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.754 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.522 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 6.143 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 8.291 ( 0.000 0.000 0.000) 0.000 9.699 ( 0.000 0.000 0.000) 0.000 12.635 ( 0.000 0.000 0.000) 0.000 13.047 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 14.203 ( 0.000 0.000 0.000) 0.000 14.429 ( 0.000 0.000 0.000) 0.000 16.338 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.268 ( 7.808 -10.899 1.111) 13.453 0.349 ( 17.427 -10.224 5.949) 21.062 0.645 ( 7.667 -29.868 1.805) 30.889 1.152 ( -3.341 6.841 -1.578) 7.775 1.302 ( 0.898 0.915 0.870) 1.549 1.344 ( -1.597 -6.118 0.318) 6.331 1.384 ( -2.454 0.547 -3.192) 4.063 1.522 ( -0.634 0.984 -3.669) 3.852 1.589 ( 2.467 -5.773 5.379) 8.267 1.633 ( 1.522 -8.024 2.254) 8.473 1.677 ( 0.931 -0.938 -2.803) 3.099 1.801 ( -1.410 -3.609 -0.862) 3.969 1.966 ( -2.352 3.962 0.123) 4.610 2.099 ( -5.105 -2.048 2.004) 5.855 2.230 ( 4.198 0.082 1.688) 4.526 2.352 ( -1.712 -0.220 -1.828) 2.514 2.394 ( 1.163 1.371 0.805) 1.970 2.659 ( -0.449 3.677 0.666) 3.764 2.857 ( -0.322 -1.255 0.597) 1.427 2.863 ( 0.533 -2.301 -0.423) 2.399 3.327 ( -6.478 -10.492 -1.614) 12.436 3.369 ( 0.076 -9.499 0.278) 9.504 3.487 ( -3.640 -1.224 -0.964) 3.959 3.610 ( 0.464 -3.964 0.097) 3.993 3.874 ( -1.096 -0.173 -0.323) 1.155 4.039 ( -1.847 0.155 -5.020) 5.351 4.088 ( -0.021 -4.819 0.254) 4.825 4.403 ( -2.941 -4.545 -4.200) 6.852 4.530 ( -0.298 -4.433 7.304) 8.549 4.604 ( -1.487 -9.517 1.423) 9.737 5.103 ( -1.358 -1.016 1.152) 2.050 5.207 ( -5.288 -4.241 10.143) 12.200 5.418 ( -13.629 -2.790 11.973) 18.354 5.652 ( -0.743 -2.593 1.055) 2.896 5.704 ( -0.513 -2.531 -0.561) 2.643 6.035 ( 3.954 -3.200 -41.487) 41.798 6.310 ( 14.683 8.885 16.509) 23.813 6.592 ( 6.319 -9.423 -1.753) 11.480 6.876 ( -4.189 -0.141 4.510) 6.157 7.065 ( 4.084 -0.614 -2.540) 4.848 8.287 ( 0.486 0.937 -1.367) 1.727 9.673 ( -0.051 2.650 -0.180) 2.657 12.638 ( 0.038 -0.293 -0.056) 0.300 13.042 ( 0.904 0.915 -0.040) 1.287 13.588 ( 12.324 5.454 -7.085) 15.226 14.195 ( 2.035 4.028 5.808) 7.355 15.354 ( -12.510 -6.279 0.736) 14.017 16.328 ( 0.490 1.322 0.080) 1.412 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 7.334 -10.847 1.435) 13.172 0.683 ( 15.595 -9.685 4.984) 19.022 1.006 ( -3.616 5.136 -0.964) 6.355 1.198 ( 5.017 -16.960 2.158) 17.817 1.301 ( 1.662 -5.620 -0.843) 5.921 1.355 ( -1.186 -0.613 -0.915) 1.618 1.451 ( -1.774 -3.756 -1.645) 4.468 1.495 ( 0.735 -0.788 -1.531) 1.872 1.665 ( 0.022 2.240 -0.123) 2.244 1.730 ( -0.899 -6.732 2.002) 7.081 1.790 ( -1.460 -1.007 0.926) 2.001 1.823 ( 0.276 -2.382 -0.136) 2.402 1.881 ( -3.619 -1.288 -3.153) 4.970 2.100 ( -3.572 -0.064 4.447) 5.704 2.226 ( 1.887 1.863 3.699) 4.552 2.345 ( 1.973 3.031 -2.221) 4.244 2.386 ( -2.901 -3.066 -2.358) 4.835 2.606 ( 0.237 1.538 -0.408) 1.609 2.873 ( -0.339 -0.867 0.404) 1.015 2.926 ( 0.334 -3.376 -0.080) 3.394 3.434 ( -4.685 -3.773 -1.387) 6.173 3.542 ( -1.455 -9.278 -0.402) 9.400 3.583 ( 1.040 -10.469 -0.011) 10.520 3.702 ( -1.132 -5.334 0.340) 5.464 3.879 ( -0.140 -1.387 -0.247) 1.416 4.021 ( -1.181 -0.840 -3.478) 3.768 4.180 ( -0.495 -5.014 -0.143) 5.041 4.504 ( -3.049 -10.189 -7.129) 12.804 4.663 ( 3.116 -6.450 7.612) 10.452 4.786 ( -1.295 -10.039 -0.855) 10.158 5.115 ( -8.572 -2.558 6.317) 10.951 5.194 ( -8.485 -0.088 6.934) 10.958 5.450 ( 1.472 -4.214 -1.997) 4.890 5.717 ( 0.413 -3.850 1.475) 4.143 5.771 ( -0.617 -5.478 -0.277) 5.520 6.057 ( 3.394 -2.077 -17.244) 17.697 6.316 ( 3.045 0.807 8.747) 9.297 6.785 ( 2.682 -2.088 2.705) 4.344 6.931 ( 0.197 -11.607 -2.425) 11.860 7.110 ( 3.934 -1.124 -2.300) 4.694 8.263 ( -0.962 1.353 -0.332) 1.693 9.606 ( -0.056 4.234 -0.271) 4.243 12.646 ( 0.058 -0.524 -0.095) 0.536 13.031 ( 1.588 1.248 -0.043) 2.020 13.565 ( 5.551 4.017 -2.418) 7.266 14.137 ( 0.796 4.152 3.381) 5.414 15.374 ( -7.366 -4.571 -0.991) 8.726 16.301 ( 0.752 2.074 0.124) 2.209 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 6.195 -9.382 2.981) 11.631 0.883 ( -0.852 2.440 -1.170) 2.837 0.992 ( 10.153 -8.193 3.030) 13.394 1.235 ( 0.352 1.126 -0.924) 1.498 1.354 ( 0.167 -0.143 -1.904) 1.916 1.449 ( -1.261 0.020 -0.570) 1.384 1.553 ( 1.490 -1.963 -2.218) 3.316 1.583 ( -2.133 3.094 0.148) 3.761 1.644 ( -8.456 6.393 2.001) 10.788 1.664 ( 5.395 -12.824 1.825) 14.032 1.830 ( -3.259 -4.881 0.948) 5.946 1.905 ( 1.474 -1.432 3.597) 4.143 1.913 ( 0.627 -2.290 -5.227) 5.741 2.096 ( 0.450 -2.230 0.154) 2.280 2.222 ( 0.189 1.103 5.008) 5.132 2.301 ( -2.013 0.565 -0.331) 2.117 2.411 ( -0.798 -1.577 -3.316) 3.758 2.602 ( 1.213 -0.387 -0.936) 1.580 2.873 ( -1.165 0.490 0.083) 1.267 2.985 ( 0.264 -2.526 -0.034) 2.540 3.458 ( -1.031 -2.188 -0.211) 2.428 3.651 ( -0.033 -2.444 -0.884) 2.599 3.740 ( -3.555 -4.369 -1.062) 5.732 3.791 ( -0.988 -8.067 0.334) 8.135 3.916 ( 0.600 -1.448 -0.033) 1.567 4.036 ( -0.393 -1.432 -1.293) 1.968 4.297 ( 2.194 -7.467 -0.678) 7.812 4.668 ( -1.797 -10.141 -8.108) 13.107 4.824 ( 2.366 -5.418 8.935) 10.714 4.919 ( -2.430 -6.034 -5.301) 8.391 5.037 ( -15.270 -0.238 11.962) 19.399 5.199 ( 1.502 -1.431 -0.614) 2.163 5.532 ( -0.294 -4.403 -3.794) 5.820 5.761 ( 5.089 3.067 3.380) 6.836 5.904 ( -0.254 -9.176 -1.093) 9.244 6.108 ( 4.464 -2.994 -8.396) 9.969 6.346 ( -7.032 -2.873 6.895) 10.259 6.813 ( 2.479 -0.603 1.421) 2.921 7.124 ( 3.326 -2.100 -3.804) 5.472 7.220 ( 2.471 -11.292 -0.653) 11.578 8.221 ( -1.501 1.938 0.130) 2.455 9.526 ( -0.020 3.929 -0.235) 3.936 12.657 ( 0.042 -0.536 -0.095) 0.546 13.024 ( 1.664 0.878 -0.026) 1.882 13.523 ( 2.258 3.348 -0.675) 4.094 14.079 ( 0.805 3.047 1.671) 3.567 15.395 ( -4.777 -3.184 -0.910) 5.813 16.269 ( 0.665 1.875 0.113) 1.993 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -0.968 1.529 0.605) 1.909 1.009 ( 2.923 -6.655 0.845) 7.318 1.205 ( 6.948 -4.303 -0.668) 8.200 1.236 ( 2.752 -1.033 1.331) 3.227 1.346 ( -0.695 0.222 -2.721) 2.818 1.424 ( -2.536 2.699 -0.838) 3.797 1.456 ( -2.987 4.483 0.785) 5.444 1.467 ( -4.140 3.075 1.549) 5.384 1.653 ( 0.940 -3.459 -0.430) 3.610 1.779 ( 0.568 0.317 0.091) 0.657 1.857 ( -0.761 0.350 0.566) 1.011 1.931 ( -0.820 -1.798 1.663) 2.583 1.971 ( 1.340 -1.542 -1.015) 2.281 2.180 ( 3.438 -4.246 -3.403) 6.436 2.219 ( -1.097 -0.599 2.820) 3.085 2.271 ( -2.752 1.586 1.761) 3.632 2.424 ( 0.101 -0.651 -1.308) 1.465 2.629 ( 1.222 -1.118 -0.458) 1.719 2.839 ( -1.213 1.348 -0.133) 1.818 3.019 ( 0.095 -0.919 -0.025) 0.925 3.494 ( 0.447 -1.410 0.342) 1.518 3.647 ( -0.887 0.769 -0.823) 1.434 3.775 ( -1.275 -1.807 -0.433) 2.253 3.894 ( -0.436 -2.872 0.321) 2.923 3.933 ( 0.062 -0.348 -0.425) 0.553 4.048 ( -0.222 -0.366 -0.224) 0.483 4.453 ( 3.580 -4.756 -0.023) 5.953 4.785 ( -0.378 -5.206 -12.232) 13.299 4.848 ( -6.366 2.477 14.125) 15.690 4.974 ( -0.208 -3.474 -4.832) 5.955 5.010 ( -1.742 -0.802 5.039) 5.392 5.231 ( 0.508 -0.818 -0.034) 0.963 5.598 ( -2.399 -4.484 -3.442) 6.141 5.717 ( 4.407 5.393 3.216) 7.671 6.070 ( 0.942 -6.958 -0.271) 7.027 6.174 ( 4.846 -0.125 -5.431) 7.280 6.317 ( -8.111 -0.342 5.544) 9.831 6.856 ( 1.847 -1.061 0.073) 2.131 7.148 ( 0.982 -0.043 -0.963) 1.377 7.409 ( 1.366 -5.482 -0.736) 5.697 8.177 ( -0.851 1.255 0.172) 1.526 9.472 ( 0.001 1.614 -0.092) 1.616 12.664 ( 0.012 -0.230 -0.041) 0.234 13.024 ( 0.752 0.262 -0.009) 0.796 13.486 ( 0.478 1.415 -0.088) 1.496 14.048 ( 0.421 1.083 0.461) 1.250 15.408 ( -1.727 -1.157 -0.326) 2.104 16.247 ( 0.265 0.754 0.046) 0.801 ======================= Grid point 10 (6/140) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.224 ( 12.709 0.000 3.225) 13.112 0.264 ( 15.225 0.000 0.500) 15.233 0.586 ( 32.322 0.000 10.072) 33.855 1.199 ( -9.341 -0.000 -3.953) 10.143 1.239 ( -0.667 -0.000 -2.909) 2.984 1.270 ( -2.154 -0.000 -2.692) 3.447 1.399 ( -1.176 -0.000 -2.427) 2.697 1.536 ( 2.299 0.000 -0.884) 2.463 1.538 ( 1.883 0.000 5.097) 5.434 1.571 ( -1.548 -0.000 5.422) 5.639 1.709 ( 6.292 0.000 -5.436) 8.315 1.727 ( -3.203 -0.000 0.187) 3.208 1.985 ( -11.292 -0.000 2.166) 11.498 2.018 ( 0.787 0.000 -1.132) 1.378 2.268 ( 5.189 0.000 -2.730) 5.863 2.319 ( -5.570 -0.000 3.632) 6.650 2.452 ( 2.006 0.000 3.923) 4.406 2.710 ( -2.805 -0.000 4.838) 5.592 2.826 ( 0.285 0.000 -0.226) 0.364 2.860 ( 0.327 0.000 0.567) 0.654 3.054 ( -0.060 -0.000 0.382) 0.387 3.274 ( 0.274 0.000 0.478) 0.551 3.412 ( -2.437 -0.000 -0.571) 2.503 3.573 ( 0.839 0.000 0.187) 0.859 3.858 ( -1.993 -0.000 -0.215) 2.005 3.983 ( -1.497 -0.000 -5.602) 5.798 4.047 ( -0.279 -0.000 -0.097) 0.295 4.300 ( -6.338 -0.000 -1.358) 6.482 4.496 ( -0.173 -0.000 0.044) 0.178 4.520 ( 5.886 0.000 14.322) 15.484 5.067 ( -8.684 -0.000 15.117) 17.434 5.181 ( -5.364 -0.000 16.284) 17.145 5.282 ( 2.651 0.000 0.048) 2.652 5.586 ( -4.751 -0.000 -2.687) 5.458 5.685 ( 1.366 0.000 -0.094) 1.369 5.985 ( 8.677 0.000 -36.233) 37.257 6.454 ( -0.916 -0.000 0.002) 0.916 6.646 ( 7.491 0.000 -10.014) 12.506 6.891 ( -7.662 -0.000 9.626) 12.303 7.087 ( 3.692 0.000 -3.357) 4.990 8.307 ( -0.320 -0.000 -5.264) 5.274 9.699 ( 0.063 0.000 -0.147) 0.160 12.633 ( -0.288 -0.000 -0.025) 0.289 13.065 ( 2.240 0.000 -0.080) 2.241 13.816 ( 5.571 0.000 -27.570) 28.127 14.430 ( 0.169 0.000 0.024) 0.171 14.955 ( -9.394 -0.000 23.960) 25.735 16.355 ( 2.044 0.000 -0.655) 2.147 ======================= Grid point 11 (7/140) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 11.750 -6.660 0.828) 13.532 0.583 ( 8.724 -16.492 2.756) 18.860 0.969 ( 25.535 -12.203 7.482) 29.273 1.052 ( -6.797 4.297 -3.331) 8.704 1.299 ( -1.477 -4.568 -3.294) 5.822 1.307 ( -2.464 -3.155 -1.101) 4.152 1.332 ( -1.419 0.455 -2.117) 2.589 1.502 ( -1.301 1.587 -2.611) 3.321 1.589 ( -1.672 -3.502 2.468) 4.599 1.678 ( 1.716 -7.334 0.371) 7.542 1.729 ( -1.645 -1.285 1.561) 2.606 1.784 ( 6.019 -2.444 -0.488) 6.515 1.858 ( -9.928 3.087 1.156) 10.461 2.056 ( -0.927 -2.280 0.912) 2.625 2.277 ( -5.619 -0.160 2.429) 6.124 2.299 ( 1.787 -0.534 -1.520) 2.406 2.435 ( 2.959 3.731 0.015) 4.762 2.649 ( -1.005 3.176 1.287) 3.571 2.855 ( -0.268 -1.333 0.585) 1.480 2.872 ( 0.614 -2.032 -0.064) 2.123 3.210 ( -4.784 -12.149 -0.980) 13.094 3.370 ( -0.276 -8.741 0.390) 8.754 3.429 ( -2.796 -4.349 -0.643) 5.210 3.622 ( 0.770 -3.725 0.065) 3.804 3.849 ( -1.382 -0.887 -0.101) 1.645 3.969 ( -3.989 -1.366 -4.062) 5.855 4.082 ( -0.896 -3.667 -0.323) 3.789 4.294 ( -6.257 -6.026 -5.987) 10.551 4.586 ( -0.867 -8.327 0.195) 8.375 4.634 ( 6.662 -3.764 8.431) 11.386 5.007 ( -13.582 0.044 15.887) 20.901 5.173 ( -0.363 -0.059 0.929) 0.999 5.375 ( 2.127 -5.238 0.776) 5.706 5.574 ( -6.111 -4.085 -1.475) 7.497 5.727 ( 3.325 -2.677 -0.170) 4.272 5.996 ( 3.061 -1.957 -15.103) 15.534 6.467 ( 2.634 3.729 0.153) 4.568 6.691 ( 5.116 -6.559 -4.431) 9.424 6.832 ( -2.338 0.611 4.835) 5.406 7.111 ( 2.021 -0.699 -3.238) 3.881 8.276 ( -1.104 1.193 -1.796) 2.423 9.672 ( 0.091 2.756 -0.258) 2.770 12.635 ( -0.343 -0.486 -0.090) 0.602 13.075 ( 3.075 1.278 -0.076) 3.330 13.719 ( 5.512 6.826 -8.299) 12.077 14.278 ( 4.123 8.609 6.091) 11.324 15.124 ( -13.631 -12.397 1.690) 18.502 16.353 ( 2.561 1.866 -0.384) 3.192 ======================= Grid point 12 (8/140) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 8.689 -8.681 0.852) 12.313 0.906 ( 6.241 -7.085 1.971) 9.646 0.927 ( -2.415 0.041 -0.834) 2.556 1.252 ( 0.136 1.153 -0.659) 1.335 1.340 ( 0.080 -1.550 -2.674) 3.092 1.404 ( -2.322 -4.147 -0.889) 4.835 1.432 ( 9.897 -12.943 2.584) 16.496 1.508 ( 4.589 -5.550 -0.253) 7.206 1.624 ( -2.553 0.218 -1.647) 3.045 1.688 ( -9.077 5.001 1.786) 10.516 1.725 ( -3.695 -2.183 2.469) 4.951 1.821 ( 0.304 -5.676 -4.815) 7.449 1.900 ( 6.516 -2.572 1.067) 7.086 2.078 ( -1.856 -0.883 4.769) 5.194 2.248 ( -1.484 -0.102 2.311) 2.749 2.300 ( -3.723 0.514 0.012) 3.758 2.390 ( 2.786 1.719 -4.120) 5.263 2.612 ( 0.625 0.891 0.364) 1.147 2.865 ( -0.801 -0.403 0.521) 1.037 2.933 ( 0.548 -3.249 0.072) 3.296 3.360 ( -3.281 -6.856 -0.608) 7.625 3.508 ( -2.056 -9.728 -1.159) 10.010 3.594 ( 0.132 -11.112 0.587) 11.128 3.680 ( -1.212 -1.595 -0.705) 2.124 3.881 ( -0.197 -2.418 1.256) 2.732 3.979 ( -1.833 -4.070 -2.065) 4.919 4.139 ( -3.806 -5.929 -2.896) 7.617 4.414 ( -3.849 -11.813 -7.064) 14.292 4.733 ( -0.161 -7.854 -4.508) 9.057 4.800 ( 4.441 -6.364 7.429) 10.743 4.915 ( -15.426 -0.562 16.110) 22.312 5.185 ( 1.512 -0.825 -1.962) 2.611 5.465 ( 0.753 -2.546 -2.203) 3.450 5.662 ( -2.873 -9.813 0.207) 10.227 5.835 ( 5.603 -4.375 1.801) 7.333 6.050 ( 0.722 -4.040 -4.088) 5.792 6.367 ( 0.904 6.559 -0.534) 6.643 6.823 ( 1.843 -0.935 1.308) 2.446 6.952 ( 2.404 -14.293 -3.845) 14.995 7.132 ( -0.435 -1.513 -1.479) 2.160 8.239 ( -1.663 1.430 -0.639) 2.285 9.605 ( 0.085 4.274 -0.267) 4.283 12.643 ( -0.313 -0.699 -0.125) 0.776 13.070 ( 3.136 1.878 -0.021) 3.656 13.632 ( 2.918 5.491 -2.092) 6.560 14.190 ( 4.315 6.173 3.551) 8.327 15.207 ( -11.719 -8.831 -1.286) 14.730 16.330 ( 2.706 2.796 -0.112) 3.893 ======================= Grid point 13 (9/140) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -3.678 1.695 -1.888) 4.468 0.906 ( 5.892 -7.789 3.008) 10.219 1.146 ( 6.195 -7.561 0.391) 9.782 1.245 ( 1.298 -0.220 -0.900) 1.595 1.352 ( 0.500 0.212 -2.098) 2.167 1.416 ( -3.251 -0.085 -1.458) 3.564 1.508 ( -7.724 5.210 3.673) 10.015 1.533 ( -1.666 5.417 -3.168) 6.492 1.567 ( 0.159 -5.819 -1.078) 5.920 1.751 ( -3.460 -2.304 0.798) 4.232 1.815 ( 6.660 -7.085 2.536) 10.049 1.862 ( -2.247 -2.807 -2.927) 4.637 1.985 ( 5.217 -0.788 1.979) 5.635 2.113 ( 0.397 -3.461 1.760) 3.903 2.244 ( -0.838 2.144 1.228) 2.609 2.272 ( 1.611 -1.406 0.973) 2.349 2.398 ( 0.253 -1.296 -3.416) 3.663 2.619 ( 0.793 -0.656 0.643) 1.214 2.852 ( -1.300 0.954 0.051) 1.613 2.990 ( 0.335 -2.311 0.289) 2.352 3.439 ( -1.171 -4.194 0.394) 4.372 3.646 ( -0.148 -1.245 -1.315) 1.817 3.681 ( -2.333 -5.498 -1.809) 6.240 3.781 ( -0.901 -8.404 1.111) 8.525 3.907 ( -1.728 -1.520 0.253) 2.315 4.034 ( 0.463 -1.277 0.578) 1.476 4.293 ( -2.017 -12.374 -1.879) 12.678 4.584 ( -3.811 -10.930 -10.647) 15.728 4.801 ( -8.338 -3.420 1.283) 9.103 4.901 ( 0.303 -3.852 8.514) 9.350 4.957 ( 0.782 -5.069 5.991) 7.886 5.212 ( 0.953 -1.063 -1.461) 2.043 5.496 ( -1.776 -2.468 -3.286) 4.477 5.822 ( 1.566 -4.519 0.911) 4.869 5.966 ( 6.378 -4.053 5.159) 9.150 6.126 ( -2.458 -4.270 0.769) 4.987 6.286 ( 1.010 1.103 -4.068) 4.334 6.858 ( 2.573 -0.707 -0.982) 2.843 7.117 ( -2.904 -2.049 -2.215) 4.188 7.254 ( 1.761 -11.943 -0.027) 12.072 8.195 ( -1.558 1.591 -0.446) 2.271 9.526 ( 0.086 3.936 -0.148) 3.940 12.654 ( -0.281 -0.685 -0.108) 0.748 13.057 ( 2.193 1.925 0.047) 2.918 13.553 ( 1.284 4.395 -0.398) 4.596 14.127 ( 4.325 5.130 1.648) 6.909 15.271 ( -9.349 -7.809 -1.066) 12.228 16.298 ( 2.635 2.890 0.028) 3.911 ======================= Grid point 14 (10/140) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -1.581 -0.547 -1.194) 2.056 1.055 ( 1.906 -2.452 2.289) 3.858 1.222 ( -5.507 5.003 -0.574) 7.462 1.243 ( -2.081 1.413 -2.091) 3.271 1.347 ( 2.095 -4.962 -1.183) 5.515 1.384 ( 0.522 1.997 1.578) 2.598 1.419 ( -1.343 -1.202 0.229) 1.817 1.473 ( 3.595 0.461 -2.025) 4.152 1.664 ( 0.571 -2.789 -0.467) 2.885 1.738 ( -4.385 -1.112 0.348) 4.537 1.817 ( -4.556 -1.242 -2.753) 5.466 1.953 ( 3.112 -0.246 1.222) 3.352 2.016 ( 2.821 1.465 2.115) 3.817 2.195 ( -0.483 -2.520 0.826) 2.696 2.220 ( 0.231 0.441 1.043) 1.156 2.311 ( 6.760 0.843 -2.033) 7.109 2.418 ( -0.451 -1.122 -0.251) 1.235 2.633 ( -1.341 0.056 1.243) 1.829 2.831 ( 0.394 -0.149 0.016) 0.421 3.022 ( 0.110 -0.708 0.390) 0.816 3.485 ( -1.601 -1.324 0.108) 2.081 3.637 ( 0.092 -0.736 -0.364) 0.826 3.773 ( 1.314 -3.134 -0.789) 3.489 3.884 ( -1.418 -3.479 1.661) 4.108 3.920 ( -1.057 -1.150 -0.532) 1.650 4.053 ( 0.828 -0.340 0.466) 1.009 4.415 ( -7.505 -3.355 -0.748) 8.255 4.754 ( 3.893 -10.841 -11.361) 16.179 4.820 ( -2.520 -2.039 6.059) 6.871 4.979 ( 0.457 -2.819 -1.710) 3.328 5.034 ( 1.720 -0.499 7.970) 8.169 5.227 ( 0.054 -0.236 -0.996) 1.025 5.524 ( -3.945 -3.809 -3.020) 6.261 5.807 ( 3.570 6.713 2.653) 8.053 6.092 ( -8.003 -3.183 5.646) 10.298 6.147 ( 4.851 -0.830 3.271) 5.909 6.352 ( 8.671 -3.488 -8.358) 12.538 6.868 ( 0.075 1.176 -1.461) 1.877 7.108 ( -5.258 -1.437 0.151) 5.453 7.424 ( 0.389 -3.849 0.882) 3.968 8.166 ( -0.379 0.012 -0.676) 0.775 9.472 ( 0.063 1.624 0.013) 1.625 12.662 ( -0.239 -0.359 -0.047) 0.434 13.035 ( 0.538 1.567 0.086) 1.659 13.498 ( 0.878 2.193 -0.095) 2.364 14.079 ( 2.836 3.395 0.579) 4.461 15.340 ( -5.710 -6.256 -0.444) 8.482 16.271 ( 2.198 2.085 0.055) 3.030 ======================= Grid point 15 (11/140) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -0.801 -2.169 -2.134) 3.147 0.954 ( -3.750 9.581 0.861) 10.325 1.069 ( -6.858 8.279 -2.281) 10.990 1.196 ( -1.380 -2.347 0.006) 2.723 1.360 ( 0.047 0.297 1.770) 1.796 1.453 ( 1.732 -1.026 0.125) 2.017 1.483 ( 0.737 -5.004 0.156) 5.061 1.564 ( 4.917 -4.507 -1.421) 6.820 1.639 ( 0.135 1.489 0.609) 1.615 1.757 ( -0.723 -0.019 -0.493) 0.875 1.831 ( -3.253 -4.379 -3.301) 6.376 1.940 ( 1.008 3.065 0.127) 3.229 1.981 ( 0.631 4.787 1.656) 5.104 2.168 ( -0.564 3.828 5.391) 6.636 2.213 ( 0.721 0.868 -5.115) 5.238 2.338 ( 4.510 1.843 -1.332) 5.051 2.431 ( 0.409 -0.552 1.111) 1.306 2.602 ( -2.364 0.780 1.373) 2.843 2.865 ( 1.592 -1.527 0.237) 2.218 3.019 ( -0.003 1.129 0.285) 1.165 3.474 ( -1.471 0.244 -0.156) 1.499 3.666 ( 0.865 -0.806 0.487) 1.278 3.815 ( 3.251 0.319 -0.118) 3.269 3.897 ( -0.514 1.905 1.067) 2.243 3.920 ( -1.341 0.134 0.125) 1.354 4.062 ( 1.234 0.569 0.691) 1.524 4.346 ( -7.277 2.375 -1.377) 7.778 4.808 ( -1.409 2.734 5.039) 5.904 4.892 ( 3.657 2.287 -6.530) 7.826 5.029 ( 2.688 1.782 -1.835) 3.710 5.083 ( 7.943 -5.518 2.309) 9.943 5.215 ( 0.869 1.520 -1.656) 2.410 5.550 ( -7.861 -3.853 0.126) 8.756 5.705 ( 1.282 5.599 1.001) 5.830 6.009 ( -7.036 3.794 4.351) 9.101 6.192 ( 5.599 3.652 2.789) 7.243 6.456 ( 9.651 0.429 -7.261) 12.085 6.810 ( -3.131 2.360 -0.773) 3.996 7.092 ( -5.388 -1.342 1.489) 5.749 7.388 ( -1.609 6.991 1.335) 7.297 8.191 ( 0.889 -2.202 -0.562) 2.441 9.473 ( 0.040 -1.620 0.121) 1.625 12.662 ( -0.197 0.136 0.018) 0.240 13.013 ( -0.606 0.693 0.067) 0.923 13.485 ( 0.203 -0.093 0.026) 0.225 14.056 ( 1.100 0.677 -0.160) 1.302 15.402 ( -1.747 -3.618 0.088) 4.019 16.260 ( 1.343 0.617 -0.001) 1.478 ======================= Grid point 16 (12/140) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -2.832 11.018 -1.599) 11.488 0.763 ( -7.744 9.676 -1.630) 12.500 0.946 ( 0.852 -2.202 -0.235) 2.373 1.236 ( 0.046 -1.767 0.431) 1.819 1.362 ( 0.305 -0.120 0.788) 0.853 1.469 ( 1.073 0.048 -0.242) 1.101 1.528 ( -1.938 1.665 1.450) 2.937 1.604 ( 0.646 -3.321 -0.706) 3.456 1.608 ( -1.195 14.950 -0.464) 15.004 1.747 ( 3.840 -4.347 0.358) 5.811 1.860 ( -0.207 3.667 -2.509) 4.448 1.869 ( 0.192 3.452 0.198) 3.463 1.924 ( -0.203 -1.516 1.306) 2.011 2.103 ( 0.562 2.185 0.663) 2.351 2.201 ( -0.373 0.231 -2.503) 2.541 2.323 ( 0.716 0.945 0.541) 1.303 2.443 ( 1.215 0.729 0.831) 1.642 2.588 ( -0.819 -0.316 0.767) 1.165 2.888 ( 0.575 0.207 -0.012) 0.611 2.982 ( -0.060 2.719 0.077) 2.721 3.470 ( 0.268 -0.393 0.268) 0.546 3.656 ( 0.180 2.746 0.248) 2.763 3.783 ( 0.948 8.819 0.025) 8.870 3.821 ( 2.321 4.479 -0.058) 5.045 3.895 ( -1.645 0.853 0.662) 1.968 4.051 ( 0.608 1.460 0.988) 1.865 4.244 ( -2.789 3.096 -0.760) 4.236 4.708 ( -0.197 8.013 4.338) 9.114 4.780 ( 0.249 8.277 -3.915) 9.159 4.960 ( 1.404 6.957 0.957) 7.161 5.169 ( -1.436 1.381 -0.202) 2.003 5.289 ( 18.238 -1.872 -8.290) 20.121 5.501 ( -8.260 2.251 5.255) 10.045 5.669 ( -3.659 -2.287 -1.188) 4.476 5.882 ( -3.529 5.556 2.970) 7.221 6.131 ( 2.996 6.065 2.781) 7.314 6.412 ( 3.153 8.202 -3.811) 9.578 6.775 ( -1.179 -0.446 -1.649) 2.076 7.072 ( -3.098 0.193 2.358) 3.898 7.184 ( -1.725 12.316 0.371) 12.442 8.240 ( 0.696 -2.023 -0.146) 2.144 9.528 ( 0.036 -3.958 0.121) 3.960 12.655 ( -0.137 0.474 0.036) 0.495 13.005 ( -0.623 -0.466 0.031) 0.779 13.496 ( -1.016 -1.226 0.313) 1.622 14.074 ( 0.248 -2.040 -0.681) 2.164 15.439 ( 0.844 -0.669 0.336) 1.129 16.270 ( 0.434 -0.915 -0.054) 1.015 ======================= Grid point 17 (13/140) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -0.000 12.425 -0.000) 12.425 0.499 ( -0.000 13.133 -0.000) 13.133 1.040 ( 0.000 -6.180 0.000) 6.180 1.152 ( -0.000 22.997 -0.000) 22.997 1.292 ( -0.000 2.858 -0.000) 2.858 1.375 ( 0.000 -0.636 0.000) 0.636 1.465 ( -0.000 4.608 -0.000) 4.608 1.494 ( 0.000 -1.660 0.000) 1.660 1.643 ( -0.000 0.663 -0.000) 0.663 1.766 ( -0.000 6.482 -0.000) 6.482 1.772 ( -0.000 6.446 -0.000) 6.446 1.825 ( 0.000 -1.684 0.000) 1.684 1.927 ( 0.000 -0.371 0.000) 0.371 2.158 ( 0.000 -5.047 0.000) 5.047 2.165 ( -0.000 2.626 -0.000) 2.626 2.332 ( 0.000 -1.412 0.000) 1.412 2.419 ( -0.000 2.339 -0.000) 2.339 2.605 ( 0.000 -1.959 0.000) 1.959 2.874 ( -0.000 1.125 -0.000) 1.125 2.923 ( -0.000 3.441 -0.000) 3.441 3.488 ( 0.000 -0.955 0.000) 0.955 3.557 ( -0.000 8.500 -0.000) 8.500 3.567 ( -0.000 12.920 -0.000) 12.920 3.711 ( -0.000 7.077 -0.000) 7.077 3.883 ( -0.000 0.294 -0.000) 0.294 4.038 ( -0.000 0.005 -0.000) 0.005 4.176 ( -0.000 3.782 -0.000) 3.782 4.546 ( -0.000 9.040 -0.000) 9.040 4.625 ( -0.000 7.003 -0.000) 7.003 4.802 ( -0.000 10.370 -0.000) 10.370 5.130 ( -0.000 1.815 -0.000) 1.815 5.338 ( -0.000 6.164 -0.000) 6.164 5.451 ( 0.000 -2.001 0.000) 2.001 5.675 ( -0.000 0.376 -0.000) 0.376 5.773 ( -0.000 4.702 -0.000) 4.702 6.080 ( -0.000 0.081 -0.000) 0.081 6.257 ( -0.000 7.642 -0.000) 7.642 6.736 ( -0.000 5.684 -0.000) 5.684 6.959 ( -0.000 8.305 -0.000) 8.305 7.060 ( -0.000 0.527 -0.000) 0.527 8.271 ( 0.000 -1.138 0.000) 1.138 9.607 ( 0.000 -4.248 0.000) 4.248 12.645 ( -0.000 0.477 -0.000) 0.477 13.018 ( 0.000 -1.124 0.000) 1.124 13.514 ( 0.000 -1.310 0.000) 1.310 14.125 ( 0.000 -3.224 0.000) 3.224 15.439 ( -0.000 1.242 -0.000) 1.242 16.297 ( 0.000 -1.681 0.000) 1.681 ======================= Grid point 20 (14/140) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 12.195 0.000 2.898) 12.535 0.492 ( 12.332 0.000 -0.972) 12.370 1.023 ( -8.802 -0.000 -4.595) 9.929 1.127 ( 27.969 0.000 8.696) 29.290 1.204 ( -4.173 -0.000 -0.389) 4.191 1.223 ( 0.528 0.000 -6.345) 6.367 1.362 ( -2.009 -0.000 -2.971) 3.586 1.493 ( -3.573 -0.000 -3.435) 4.956 1.584 ( 0.683 0.000 1.112) 1.305 1.589 ( 0.920 0.000 4.073) 4.175 1.662 ( -4.234 -0.000 2.144) 4.746 1.802 ( -10.890 -0.000 1.195) 10.955 1.851 ( 10.270 0.000 1.109) 10.330 2.026 ( 0.869 0.000 -1.864) 2.056 2.198 ( -7.863 -0.000 -2.098) 8.138 2.331 ( 0.886 0.000 2.139) 2.315 2.496 ( 1.607 0.000 1.173) 1.989 2.682 ( -1.930 -0.000 2.867) 3.456 2.831 ( 0.413 0.000 -0.301) 0.512 2.866 ( -0.125 -0.000 0.945) 0.953 3.056 ( 0.097 0.000 0.561) 0.569 3.280 ( 0.132 0.000 0.446) 0.466 3.363 ( -3.015 -0.000 -0.446) 3.048 3.588 ( 0.776 0.000 0.192) 0.799 3.827 ( -1.588 -0.000 -0.154) 1.595 3.917 ( -4.441 -0.000 -1.554) 4.705 4.041 ( -0.328 -0.000 -0.200) 0.385 4.172 ( -6.870 -0.000 -5.539) 8.825 4.493 ( -0.309 -0.000 0.071) 0.317 4.664 ( 3.916 0.000 2.046) 4.418 4.956 ( -11.098 -0.000 22.114) 24.742 5.175 ( 1.353 0.000 -2.097) 2.495 5.340 ( 4.095 0.000 0.066) 4.096 5.497 ( -3.698 -0.000 -2.102) 4.254 5.727 ( 4.109 0.000 -2.149) 4.637 5.979 ( 2.003 0.000 -10.020) 10.218 6.433 ( -1.541 -0.000 0.003) 1.541 6.700 ( 1.562 0.000 -7.092) 7.262 6.836 ( -1.464 -0.000 4.386) 4.624 7.108 ( 0.415 0.000 -2.917) 2.947 8.272 ( -1.933 -0.000 -2.278) 2.987 9.700 ( 0.172 0.000 -0.158) 0.234 12.626 ( -0.444 -0.000 -0.039) 0.446 13.119 ( 4.246 0.000 -0.134) 4.248 13.785 ( -0.814 -0.000 -7.226) 7.271 14.434 ( 0.261 0.000 0.037) 0.264 14.880 ( -6.901 -0.000 6.709) 9.625 16.395 ( 3.068 0.000 -0.989) 3.223 ======================= Grid point 21 (15/140) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 9.476 -4.885 -1.343) 10.745 0.728 ( 8.302 -14.798 1.936) 17.078 0.928 ( -5.614 2.081 -2.349) 6.432 1.237 ( -4.992 -6.017 -1.147) 7.902 1.273 ( 0.959 -2.769 -4.366) 5.258 1.300 ( -1.541 -0.035 -1.275) 2.000 1.381 ( 9.939 -3.369 1.552) 10.608 1.486 ( 9.042 -2.625 2.693) 9.793 1.584 ( -1.034 -0.733 0.559) 1.385 1.642 ( -5.698 -3.655 -0.912) 6.831 1.698 ( -5.792 2.419 0.884) 6.339 1.720 ( 0.638 -5.441 2.179) 5.895 1.942 ( 9.835 -0.465 1.149) 9.913 2.048 ( -1.508 -1.172 1.606) 2.495 2.158 ( -6.563 -3.569 -2.437) 7.859 2.315 ( -0.717 1.684 0.490) 1.895 2.465 ( 0.216 3.746 -0.250) 3.760 2.648 ( 0.327 2.149 1.797) 2.820 2.851 ( -0.513 -0.671 0.635) 1.057 2.880 ( 0.258 -2.489 0.154) 2.507 3.163 ( -1.237 -9.694 0.111) 9.773 3.352 ( -1.874 -5.453 -0.759) 5.816 3.398 ( -0.985 -7.888 0.655) 7.976 3.633 ( 0.639 -3.291 -0.099) 3.354 3.831 ( -1.090 -2.323 -0.211) 2.575 3.881 ( -5.437 -1.036 -0.471) 5.555 4.051 ( -2.206 -1.115 -1.796) 3.055 4.182 ( -3.714 -7.700 -4.681) 9.747 4.568 ( -0.893 -7.211 -2.340) 7.633 4.691 ( -6.556 -4.418 -1.571) 8.061 4.909 ( -2.829 2.509 21.146) 21.481 5.189 ( 2.830 -0.115 -2.210) 3.592 5.426 ( 3.124 -3.478 -0.857) 4.753 5.497 ( -2.008 -4.434 -0.658) 4.912 5.792 ( 4.682 -3.532 -2.359) 6.321 5.993 ( 0.304 -2.056 -0.910) 2.269 6.470 ( -0.179 0.211 -1.186) 1.218 6.705 ( -0.867 -6.502 -4.451) 7.927 6.845 ( 1.733 -0.633 -0.371) 1.882 7.103 ( -1.471 -0.324 -1.295) 1.987 8.243 ( -2.018 0.798 -1.305) 2.532 9.674 ( 0.217 2.823 -0.161) 2.836 12.628 ( -0.461 -0.528 -0.074) 0.705 13.139 ( 4.573 1.781 -0.121) 4.909 13.725 ( -1.181 3.549 -2.245) 4.362 14.369 ( 4.995 6.191 2.163) 8.244 14.928 ( -11.033 -8.451 0.348) 13.902 16.400 ( 3.099 1.878 -0.688) 3.689 ======================= Grid point 22 (16/140) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 2.272 -4.023 -4.715) 6.601 0.870 ( 0.922 -0.584 3.808) 3.962 1.029 ( 5.381 -10.377 1.159) 11.746 1.239 ( -0.943 -0.425 -1.540) 1.855 1.316 ( -2.472 -3.868 -1.887) 4.963 1.370 ( -0.067 -2.853 -1.833) 3.391 1.447 ( -1.514 -5.377 -2.041) 5.948 1.520 ( -8.212 2.199 3.087) 9.044 1.603 ( -1.789 2.843 -2.972) 4.485 1.662 ( -1.927 -2.645 -0.062) 3.273 1.774 ( 14.978 -7.033 4.769) 17.221 1.796 ( -2.157 -1.716 -1.211) 3.011 2.023 ( 5.893 -1.316 0.104) 6.039 2.060 ( -1.341 -1.892 4.599) 5.151 2.209 ( -0.468 -4.004 -1.463) 4.288 2.284 ( -0.241 0.243 0.478) 0.588 2.397 ( -0.318 2.274 -2.748) 3.581 2.627 ( 0.369 0.933 1.600) 1.888 2.851 ( -1.000 0.001 0.422) 1.086 2.941 ( 0.207 -3.224 0.293) 3.244 3.325 ( -1.171 -7.292 0.329) 7.393 3.474 ( -1.327 -10.604 -1.396) 10.777 3.590 ( -0.836 -10.973 1.003) 11.051 3.661 ( -0.544 0.530 -1.345) 1.545 3.860 ( -2.788 -1.458 1.177) 3.359 3.967 ( -0.775 -11.494 1.711) 11.646 4.051 ( -3.331 -3.007 -3.613) 5.761 4.327 ( -3.767 -10.486 -6.556) 12.927 4.640 ( -6.980 -5.658 -4.818) 10.195 4.780 ( -4.073 -8.829 5.579) 11.210 4.933 ( 2.895 -1.351 11.764) 12.190 5.213 ( 3.014 -0.178 -0.855) 3.138 5.451 ( -0.875 -0.766 -2.759) 2.995 5.663 ( 1.769 -10.558 0.990) 10.751 5.916 ( 2.576 -6.175 -0.584) 6.717 6.052 ( 0.175 -3.723 3.285) 4.968 6.381 ( 2.609 7.122 -2.258) 7.914 6.853 ( 1.702 -2.582 -2.237) 3.817 6.952 ( -0.819 -13.493 -4.075) 14.119 7.099 ( -2.659 -2.257 1.401) 3.758 8.206 ( -1.834 1.214 -0.824) 2.349 9.607 ( 0.186 4.342 -0.123) 4.348 12.637 ( -0.405 -0.787 -0.094) 0.891 13.128 ( 3.616 2.938 -0.028) 4.659 13.639 ( -1.012 4.254 -0.226) 4.378 14.307 ( 8.182 7.379 1.779) 11.161 14.997 ( -12.710 -10.290 -1.170) 16.395 16.378 ( 2.839 2.908 -0.277) 4.073 ======================= Grid point 23 (17/140) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -2.185 0.505 -1.773) 2.859 0.995 ( 3.257 -5.628 2.607) 7.006 1.203 ( 1.385 -5.035 -1.459) 5.422 1.262 ( 0.723 -0.527 -0.002) 0.895 1.317 ( -4.201 3.566 -1.403) 5.686 1.360 ( -0.956 -2.948 -0.182) 3.104 1.448 ( -0.829 2.662 1.508) 3.170 1.526 ( 1.974 2.910 -2.766) 4.474 1.563 ( 0.101 -7.140 -0.684) 7.173 1.684 ( -3.300 -1.409 -0.870) 3.692 1.747 ( -7.133 -0.066 -1.321) 7.255 1.973 ( 4.934 -2.180 4.265) 6.877 2.074 ( 4.050 1.274 1.651) 4.556 2.126 ( 2.362 -4.702 -0.966) 5.350 2.231 ( -0.760 -0.108 1.116) 1.355 2.352 ( 6.434 -2.266 -1.766) 7.046 2.379 ( -1.054 -1.868 -1.052) 2.389 2.619 ( -1.861 -0.028 1.647) 2.486 2.838 ( -0.258 0.582 0.084) 0.642 2.995 ( -0.080 -2.278 0.412) 2.316 3.422 ( -1.103 -4.222 0.400) 4.382 3.629 ( -0.895 0.526 -0.913) 1.383 3.668 ( 1.038 -9.250 -1.581) 9.442 3.764 ( -1.737 -7.833 1.463) 8.156 3.876 ( -1.676 -2.054 0.355) 2.675 4.053 ( 1.483 -0.691 0.791) 1.818 4.217 ( -6.216 -11.585 0.067) 13.147 4.483 ( -2.485 -14.076 -8.646) 16.705 4.719 ( -2.237 -6.885 0.855) 7.290 4.904 ( -0.818 -5.381 1.410) 5.623 5.023 ( 1.337 -3.319 6.726) 7.619 5.239 ( 3.103 0.113 0.502) 3.145 5.451 ( -2.271 -1.230 -2.899) 3.883 5.851 ( 1.573 -6.014 0.567) 6.242 5.991 ( -5.367 -2.036 2.905) 6.433 6.167 ( 7.031 -4.310 4.561) 9.424 6.320 ( 3.700 -0.418 -5.616) 6.738 6.888 ( 2.531 -0.197 -3.557) 4.371 7.028 ( -6.679 -1.474 0.536) 6.860 7.277 ( 0.855 -12.278 0.633) 12.324 8.168 ( -1.193 1.028 -0.737) 1.738 9.527 ( 0.112 3.974 -0.032) 3.975 12.648 ( -0.291 -0.770 -0.068) 0.826 13.091 ( 1.704 3.288 0.063) 3.704 13.560 ( -0.143 3.554 0.021) 3.557 14.224 ( 5.946 7.981 0.918) 9.995 15.108 ( -8.882 -11.286 -0.754) 14.381 16.342 ( 2.236 3.115 -0.040) 3.835 ======================= Grid point 24 (18/140) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -0.911 -1.466 -0.834) 1.917 1.092 ( 1.328 1.685 2.490) 3.287 1.132 ( -3.514 3.777 -0.772) 5.216 1.179 ( -2.717 5.512 -2.430) 6.608 1.362 ( 0.402 -1.674 -0.834) 1.913 1.392 ( -0.488 -3.592 0.760) 3.704 1.448 ( 2.553 -1.495 1.688) 3.406 1.544 ( 4.878 -1.931 -1.871) 5.570 1.654 ( -1.219 0.608 -0.632) 1.502 1.687 ( -1.736 -4.837 0.101) 5.140 1.716 ( -4.875 -3.293 -1.210) 6.007 1.993 ( 0.571 1.677 1.537) 2.345 2.064 ( 1.834 2.731 0.366) 3.310 2.202 ( 1.287 -0.926 -1.241) 2.014 2.228 ( -0.315 0.496 1.728) 1.825 2.398 ( 1.715 -1.796 -2.414) 3.463 2.428 ( 3.420 1.256 0.978) 3.772 2.593 ( -3.286 0.490 1.094) 3.498 2.848 ( 0.980 -1.361 0.177) 1.686 3.023 ( -0.085 -0.740 0.285) 0.798 3.456 ( -1.309 -0.845 -0.092) 1.561 3.643 ( 0.374 -1.977 0.007) 2.012 3.806 ( 2.923 -4.130 -1.322) 5.230 3.855 ( -2.990 -3.673 2.200) 5.222 3.906 ( -0.324 -1.749 -0.468) 1.839 4.078 ( 1.659 -0.241 0.515) 1.754 4.280 ( -5.962 -2.927 -1.040) 6.723 4.760 ( -0.414 -10.294 -1.001) 10.351 4.848 ( 4.231 -10.048 -2.751) 11.244 4.963 ( -1.499 -1.945 -0.785) 2.578 5.080 ( -0.243 -0.807 4.668) 4.744 5.263 ( 4.167 0.523 0.807) 4.277 5.442 ( -4.490 -1.072 -1.930) 5.003 5.841 ( 0.146 6.147 0.707) 6.189 5.990 ( -3.739 -1.189 1.898) 4.359 6.279 ( 5.723 -0.167 3.631) 6.780 6.433 ( 3.509 -7.393 -5.075) 9.629 6.863 ( 0.568 4.251 -1.733) 4.626 7.011 ( -5.150 -2.602 0.982) 5.853 7.430 ( -0.080 -2.610 0.722) 2.709 8.160 ( -0.100 -1.072 -0.493) 1.184 9.473 ( 0.041 1.640 0.029) 1.641 12.658 ( -0.149 -0.418 -0.021) 0.444 13.042 ( 0.199 2.592 0.058) 2.601 13.509 ( 0.377 2.033 -0.035) 2.068 14.127 ( 2.007 5.595 0.276) 5.951 15.253 ( -3.364 -9.422 -0.220) 10.007 16.303 ( 1.206 2.486 0.020) 2.763 ======================= Grid point 25 (19/140) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 -0.985 0.000) 0.985 0.915 ( -0.000 10.607 -0.000) 10.607 1.010 ( -0.000 8.474 -0.000) 8.474 1.186 ( 0.000 -3.425 0.000) 3.425 1.364 ( -0.000 0.181 -0.000) 0.181 1.477 ( 0.000 -0.201 0.000) 0.201 1.484 ( 0.000 -4.880 0.000) 4.880 1.578 ( -0.000 0.545 -0.000) 0.545 1.680 ( 0.000 -2.823 0.000) 2.823 1.757 ( 0.000 -0.030 0.000) 0.030 1.767 ( 0.000 -7.267 0.000) 7.267 1.950 ( -0.000 3.032 -0.000) 3.032 1.991 ( -0.000 6.356 -0.000) 6.356 2.177 ( -0.000 3.489 -0.000) 3.489 2.210 ( -0.000 1.260 -0.000) 1.260 2.378 ( -0.000 4.011 -0.000) 4.011 2.439 ( 0.000 -1.502 0.000) 1.502 2.579 ( 0.000 -0.222 0.000) 0.222 2.882 ( 0.000 -1.258 0.000) 1.258 3.020 ( -0.000 1.159 -0.000) 1.159 3.459 ( 0.000 -0.462 0.000) 0.462 3.675 ( 0.000 -0.648 0.000) 0.648 3.867 ( 0.000 -0.188 0.000) 0.188 3.870 ( 0.000 -0.233 0.000) 0.233 3.910 ( -0.000 1.657 -0.000) 1.657 4.081 ( -0.000 0.916 -0.000) 0.916 4.267 ( -0.000 1.071 -0.000) 1.071 4.802 ( -0.000 1.910 -0.000) 1.910 4.913 ( -0.000 5.056 -0.000) 5.056 5.062 ( -0.000 3.053 -0.000) 3.053 5.118 ( 0.000 -8.688 0.000) 8.688 5.316 ( 0.000 -4.551 0.000) 4.551 5.415 ( -0.000 0.010 -0.000) 0.010 5.716 ( -0.000 6.423 -0.000) 6.423 5.954 ( -0.000 3.365 -0.000) 3.365 6.265 ( -0.000 4.750 -0.000) 4.750 6.530 ( -0.000 0.534 -0.000) 0.534 6.775 ( -0.000 2.898 -0.000) 2.898 7.037 ( 0.000 -2.045 0.000) 2.045 7.375 ( -0.000 7.677 -0.000) 7.677 8.198 ( 0.000 -2.591 0.000) 2.591 9.473 ( 0.000 -1.627 0.000) 1.627 12.660 ( -0.000 0.122 -0.000) 0.122 13.007 ( -0.000 1.046 -0.000) 1.046 13.488 ( -0.000 0.465 -0.000) 0.465 14.067 ( -0.000 1.471 -0.000) 1.471 15.382 ( 0.000 -5.476 0.000) 5.476 16.274 ( -0.000 1.015 -0.000) 1.015 ======================= Grid point 30 (20/140) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 11.231 0.000 2.407) 11.486 0.656 ( 8.968 0.000 -4.285) 9.939 0.902 ( -4.070 -0.000 -0.323) 4.083 1.113 ( -6.327 -0.000 -0.849) 6.384 1.229 ( 2.672 0.000 -4.929) 5.606 1.308 ( -2.727 -0.000 -2.230) 3.523 1.380 ( -2.916 -0.000 -2.960) 4.155 1.541 ( -5.736 -0.000 -0.016) 5.736 1.549 ( -2.810 -0.000 4.029) 4.912 1.620 ( 16.261 0.000 1.327) 16.315 1.666 ( 0.976 0.000 5.097) 5.190 1.698 ( 1.343 0.000 1.964) 2.379 2.028 ( 7.627 0.000 3.503) 8.393 2.031 ( 0.562 0.000 -1.809) 1.894 2.052 ( -5.573 -0.000 -3.676) 6.676 2.318 ( -2.929 -0.000 -0.695) 3.010 2.496 ( -2.102 -0.000 0.287) 2.122 2.685 ( 0.768 0.000 2.694) 2.802 2.835 ( 0.292 0.000 -0.237) 0.377 2.859 ( -1.140 -0.000 0.806) 1.396 3.062 ( 0.290 0.000 0.502) 0.579 3.279 ( -0.251 -0.000 -0.538) 0.594 3.319 ( -2.101 -0.000 0.590) 2.182 3.599 ( 0.422 0.000 0.148) 0.447 3.792 ( -3.215 -0.000 -1.981) 3.776 3.840 ( -3.920 -0.000 1.532) 4.209 4.036 ( -0.167 -0.000 -0.226) 0.281 4.069 ( -2.474 -0.000 -2.651) 3.626 4.487 ( -0.319 -0.000 0.065) 0.326 4.562 ( -11.803 -0.000 -5.846) 13.171 4.965 ( -0.721 -0.000 15.518) 15.534 5.219 ( 4.168 0.000 1.028) 4.293 5.407 ( 3.682 0.000 0.053) 3.682 5.462 ( 0.555 0.000 -2.038) 2.112 5.793 ( 4.996 0.000 -3.980) 6.387 5.971 ( -0.706 -0.000 1.143) 1.343 6.407 ( -1.526 -0.000 0.004) 1.526 6.657 ( -2.242 -0.000 -5.400) 5.847 6.850 ( 1.070 0.000 -1.109) 1.541 7.088 ( -1.538 -0.000 -0.561) 1.637 8.230 ( -2.089 -0.000 -1.208) 2.413 9.703 ( 0.221 0.000 -0.075) 0.234 12.619 ( -0.393 -0.000 -0.034) 0.394 13.198 ( 5.094 0.000 -0.241) 5.100 13.733 ( -3.388 -0.000 -0.587) 3.439 14.438 ( 0.232 0.000 0.032) 0.235 14.796 ( -4.777 -0.000 1.063) 4.894 16.440 ( 2.643 0.000 -0.849) 2.776 ======================= Grid point 31 (21/140) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 6.097 -2.577 -4.914) 8.244 0.869 ( 5.928 -8.852 2.066) 10.852 0.878 ( 0.927 -2.433 2.653) 3.718 1.138 ( -6.260 -7.140 -1.208) 9.572 1.253 ( -1.927 1.555 -1.688) 2.997 1.299 ( 2.960 -4.935 -3.101) 6.537 1.355 ( -2.873 -1.848 -2.166) 4.045 1.494 ( -5.985 1.107 1.756) 6.335 1.536 ( -5.791 -2.998 -0.624) 6.551 1.679 ( 2.927 0.871 -1.057) 3.231 1.742 ( 0.377 -4.038 1.673) 4.387 1.821 ( 12.891 -2.257 6.170) 14.469 1.986 ( -1.946 -0.917 0.092) 2.153 2.073 ( 1.722 -2.503 0.231) 3.046 2.138 ( 6.984 -3.005 -0.338) 7.611 2.271 ( -4.478 0.721 -1.702) 4.845 2.439 ( -2.606 3.152 -0.862) 4.180 2.667 ( 0.432 2.387 1.976) 3.129 2.843 ( -0.681 -0.120 0.528) 0.870 2.881 ( -0.141 -3.121 0.104) 3.125 3.156 ( -0.059 -8.740 0.309) 8.746 3.319 ( -1.353 -4.404 -0.765) 4.670 3.390 ( -0.439 -8.849 0.700) 8.888 3.645 ( 1.130 -3.199 -0.086) 3.393 3.766 ( -5.744 -2.720 -1.705) 6.580 3.825 ( -1.635 -0.979 1.129) 2.215 4.031 ( 0.911 -0.223 1.021) 1.386 4.131 ( -1.555 -6.633 -2.908) 7.408 4.477 ( -8.543 -3.588 -5.423) 10.736 4.583 ( -2.188 -8.900 1.776) 9.336 4.970 ( 0.180 1.024 8.376) 8.441 5.248 ( 3.430 0.521 2.287) 4.155 5.448 ( 1.332 1.164 -2.690) 3.219 5.509 ( 1.942 -7.110 0.757) 7.409 5.848 ( 3.139 -2.823 -2.537) 4.926 5.991 ( -0.906 -2.588 2.452) 3.678 6.488 ( 2.538 -2.194 1.798) 3.806 6.646 ( -3.455 -7.656 -5.287) 9.925 6.857 ( 0.533 -0.631 -2.692) 2.816 7.071 ( -1.766 0.261 0.778) 1.947 8.207 ( -1.636 0.612 -0.775) 1.911 9.677 ( 0.189 2.841 -0.051) 2.847 12.621 ( -0.309 -0.503 -0.042) 0.591 13.213 ( 4.075 2.424 -0.196) 4.745 13.683 ( -2.878 2.213 0.415) 3.654 14.464 ( 5.839 -0.097 0.574) 5.868 14.762 ( -8.916 -2.034 -0.471) 9.157 16.441 ( 2.019 1.692 -0.493) 2.680 ======================= Grid point 32 (22/140) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.169 1.069 -2.053) 2.321 0.930 ( 2.193 -4.269 1.955) 5.182 1.106 ( 3.274 -7.183 0.336) 7.901 1.213 ( -1.429 -4.959 -0.063) 5.161 1.261 ( -2.247 -3.900 -1.362) 4.702 1.364 ( -0.902 1.665 -0.916) 2.103 1.420 ( -0.703 -6.583 -0.866) 6.677 1.466 ( 1.540 -1.905 1.777) 3.027 1.534 ( -4.601 -1.895 -1.067) 5.089 1.673 ( 2.998 2.129 -4.408) 5.740 1.722 ( -5.191 2.722 2.697) 6.452 1.952 ( 1.625 -4.493 3.657) 6.017 2.079 ( 6.996 -3.683 0.355) 7.914 2.120 ( 2.161 -0.219 0.619) 2.259 2.205 ( -2.382 -0.854 -0.920) 2.693 2.297 ( 2.808 -6.038 0.180) 6.661 2.369 ( -1.452 1.507 -1.849) 2.792 2.625 ( -1.086 1.932 1.158) 2.500 2.842 ( -0.258 -0.003 0.203) 0.328 2.942 ( -0.154 -3.213 0.170) 3.221 3.316 ( -0.276 -6.874 0.287) 6.886 3.457 ( -0.262 -11.578 -0.694) 11.601 3.582 ( -0.437 -10.528 0.662) 10.558 3.649 ( -0.298 1.850 -0.840) 2.053 3.823 ( -1.598 -2.880 0.699) 3.367 3.919 ( -2.536 -13.334 -1.030) 13.612 4.062 ( 2.448 -0.662 2.876) 3.834 4.230 ( -4.016 -8.386 -5.320) 10.712 4.548 ( -2.347 -8.989 -0.800) 9.324 4.759 ( -0.738 -9.675 1.108) 9.766 4.988 ( 0.348 -1.685 3.454) 3.859 5.271 ( 2.590 0.132 1.810) 3.162 5.424 ( -0.897 0.586 -2.202) 2.449 5.695 ( 1.202 -10.355 0.471) 10.435 5.917 ( -0.959 -3.116 0.296) 3.273 6.079 ( 1.327 -6.892 0.294) 7.025 6.429 ( 2.417 6.989 0.280) 7.400 6.866 ( 1.534 -4.957 -2.629) 5.817 6.901 ( -3.038 -10.190 -1.191) 10.700 7.077 ( -0.774 -4.429 1.257) 4.668 8.179 ( -0.890 1.066 -0.424) 1.451 9.609 ( 0.096 4.381 -0.024) 4.382 12.631 ( -0.174 -0.795 -0.034) 0.814 13.176 ( 1.783 3.954 -0.037) 4.338 13.617 ( -1.149 3.036 0.243) 3.255 14.450 ( 7.100 9.356 0.640) 11.763 14.806 ( -8.566 -12.307 -0.661) 15.010 16.412 ( 1.161 2.754 -0.137) 2.992 ======================= Grid point 33 (23/140) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -0.000 0.416 -0.000) 0.416 1.028 ( 0.000 -4.846 0.000) 4.846 1.204 ( 0.000 -2.414 0.000) 2.414 1.249 ( -0.000 5.555 -0.000) 5.555 1.311 ( 0.000 -4.379 0.000) 4.379 1.331 ( 0.000 -1.622 0.000) 1.622 1.468 ( -0.000 1.046 -0.000) 1.046 1.543 ( -0.000 0.208 -0.000) 0.208 1.570 ( 0.000 -7.412 0.000) 7.412 1.642 ( 0.000 -0.726 0.000) 0.726 1.669 ( -0.000 1.259 -0.000) 1.259 2.009 ( 0.000 -0.698 0.000) 0.698 2.115 ( -0.000 1.733 -0.000) 1.733 2.174 ( 0.000 -2.854 0.000) 2.854 2.213 ( 0.000 -1.515 0.000) 1.515 2.360 ( 0.000 -1.434 0.000) 1.434 2.427 ( 0.000 -4.437 0.000) 4.437 2.590 ( -0.000 1.130 -0.000) 1.130 2.839 ( -0.000 0.027 -0.000) 0.027 2.993 ( 0.000 -2.320 0.000) 2.320 3.412 ( 0.000 -3.705 0.000) 3.705 3.620 ( 0.000 -0.104 0.000) 0.104 3.678 ( 0.000 -10.337 0.000) 10.337 3.748 ( 0.000 -7.046 0.000) 7.046 3.862 ( 0.000 -2.295 0.000) 2.295 4.082 ( 0.000 -0.285 0.000) 0.285 4.141 ( 0.000 -9.443 0.000) 9.443 4.446 ( 0.000 -17.489 0.000) 17.489 4.709 ( 0.000 -8.222 0.000) 8.222 4.899 ( 0.000 -5.293 0.000) 5.293 5.043 ( 0.000 -3.133 0.000) 3.133 5.286 ( 0.000 -0.035 0.000) 0.035 5.413 ( 0.000 -0.252 0.000) 0.252 5.867 ( 0.000 -5.758 0.000) 5.758 5.944 ( 0.000 -0.691 0.000) 0.691 6.256 ( 0.000 -10.388 0.000) 10.388 6.333 ( -0.000 3.436 -0.000) 3.436 6.928 ( 0.000 -3.267 0.000) 3.267 6.938 ( -0.000 2.332 -0.000) 2.332 7.285 ( 0.000 -12.347 0.000) 12.347 8.156 ( -0.000 0.731 -0.000) 0.731 9.528 ( -0.000 3.993 -0.000) 3.993 12.646 ( 0.000 -0.787 0.000) 0.787 13.106 ( -0.000 3.969 -0.000) 3.969 13.557 ( -0.000 2.888 -0.000) 2.888 14.285 ( -0.000 9.850 -0.000) 9.850 15.023 ( 0.000 -13.166 0.000) 13.166 16.361 ( -0.000 3.074 -0.000) 3.074 ======================= Grid point 41 (24/140) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 6.301 0.000 -4.558) 7.777 0.826 ( 9.359 0.000 1.741) 9.520 0.866 ( -2.336 -0.000 3.326) 4.065 0.992 ( -7.664 -0.000 -1.170) 7.753 1.263 ( 2.564 0.000 -2.266) 3.422 1.265 ( -1.260 -0.000 -0.966) 1.587 1.315 ( -2.453 -0.000 -1.460) 2.855 1.455 ( -3.836 -0.000 0.452) 3.862 1.473 ( -3.182 -0.000 0.374) 3.204 1.694 ( 0.469 0.000 1.901) 1.958 1.707 ( 2.148 0.000 -0.911) 2.334 1.869 ( -0.531 -0.000 2.979) 3.026 2.015 ( 10.094 0.000 1.919) 10.275 2.031 ( 0.184 0.000 -0.769) 0.791 2.186 ( 6.264 0.000 0.142) 6.266 2.225 ( -7.140 -0.000 -2.251) 7.486 2.447 ( -2.845 -0.000 -0.445) 2.879 2.708 ( 0.474 0.000 1.591) 1.660 2.838 ( 0.085 0.000 -0.091) 0.124 2.841 ( -0.941 -0.000 0.189) 0.959 3.068 ( 0.171 0.000 0.212) 0.272 3.271 ( -0.230 -0.000 -0.708) 0.744 3.300 ( -0.664 -0.000 0.728) 0.986 3.604 ( 0.114 0.000 0.058) 0.128 3.723 ( -2.688 -0.000 -1.098) 2.903 3.809 ( -1.028 -0.000 0.768) 1.283 4.034 ( -0.029 -0.000 -0.101) 0.105 4.071 ( 1.879 0.000 1.119) 2.187 4.358 ( -7.863 -0.000 -4.042) 8.842 4.484 ( -0.139 -0.000 0.027) 0.142 4.991 ( -0.475 -0.000 3.440) 3.473 5.278 ( 1.199 0.000 2.305) 2.598 5.451 ( 1.488 0.000 0.019) 1.488 5.491 ( 2.366 0.000 -0.649) 2.454 5.844 ( 2.530 0.000 -2.932) 3.872 5.965 ( -0.927 -0.000 2.861) 3.008 6.388 ( -0.657 -0.000 0.002) 0.657 6.607 ( -1.330 -0.000 -2.742) 3.048 6.855 ( 0.331 0.000 -1.063) 1.113 7.066 ( -0.888 -0.000 0.288) 0.934 8.200 ( -0.938 -0.000 -0.422) 1.029 9.706 ( 0.104 0.000 -0.014) 0.105 12.614 ( -0.156 -0.000 -0.013) 0.156 13.267 ( 2.736 0.000 -0.208) 2.744 13.682 ( -2.208 -0.000 0.532) 2.271 14.441 ( 0.092 0.000 0.013) 0.093 14.743 ( -1.720 -0.000 -0.139) 1.725 16.469 ( 1.031 0.000 -0.329) 1.083 ======================= Grid point 42 (25/140) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -0.000 0.556 -0.000) 0.556 0.877 ( 0.000 -2.313 0.000) 2.313 0.980 ( 0.000 -8.490 0.000) 8.490 1.046 ( 0.000 -9.177 0.000) 9.177 1.230 ( -0.000 1.397 -0.000) 1.397 1.323 ( 0.000 -2.804 0.000) 2.804 1.329 ( 0.000 -4.780 0.000) 4.780 1.451 ( -0.000 0.465 -0.000) 0.465 1.468 ( 0.000 -2.272 0.000) 2.272 1.710 ( -0.000 0.601 -0.000) 0.601 1.742 ( 0.000 -1.252 0.000) 1.252 1.871 ( 0.000 -2.623 0.000) 2.623 2.079 ( 0.000 -4.084 0.000) 4.084 2.092 ( 0.000 -0.887 0.000) 0.887 2.172 ( 0.000 -0.239 0.000) 0.239 2.230 ( 0.000 -1.986 0.000) 1.986 2.402 ( -0.000 2.754 -0.000) 2.754 2.672 ( -0.000 3.046 -0.000) 3.046 2.838 ( 0.000 -0.156 0.000) 0.156 2.879 ( 0.000 -3.292 0.000) 3.292 3.157 ( 0.000 -8.588 0.000) 8.588 3.306 ( 0.000 -4.287 0.000) 4.287 3.388 ( 0.000 -8.896 0.000) 8.896 3.673 ( 0.000 -7.445 0.000) 7.445 3.689 ( -0.000 2.004 -0.000) 2.004 3.814 ( 0.000 -1.110 0.000) 1.110 4.080 ( -0.000 0.183 -0.000) 0.183 4.081 ( 0.000 -4.815 0.000) 4.815 4.380 ( 0.000 -6.456 0.000) 6.456 4.573 ( 0.000 -8.750 0.000) 8.750 4.984 ( -0.000 0.478 -0.000) 0.478 5.284 ( -0.000 0.037 -0.000) 0.037 5.458 ( -0.000 3.210 -0.000) 3.210 5.529 ( 0.000 -7.274 0.000) 7.274 5.870 ( 0.000 -1.835 0.000) 1.835 5.988 ( 0.000 -3.006 0.000) 3.006 6.555 ( -0.000 4.633 -0.000) 4.633 6.565 ( 0.000 -16.625 0.000) 16.625 6.853 ( 0.000 -0.189 0.000) 0.189 7.058 ( -0.000 0.330 -0.000) 0.330 8.190 ( -0.000 0.588 -0.000) 0.588 9.679 ( -0.000 2.843 -0.000) 2.843 12.618 ( 0.000 -0.488 0.000) 0.488 13.250 ( -0.000 2.821 -0.000) 2.821 13.656 ( -0.000 1.765 -0.000) 1.765 14.538 ( 0.000 -9.694 0.000) 9.694 14.662 ( -0.000 7.463 -0.000) 7.463 16.458 ( -0.000 1.605 -0.000) 1.605 ======================= Grid point 85 (26/140) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( 0.901 0.000 12.007) 12.041 0.324 ( 7.768 0.000 16.070) 17.849 0.593 ( -1.443 -0.000 29.333) 29.369 1.154 ( -2.070 -0.000 -9.518) 9.741 1.269 ( -4.000 -0.000 -6.835) 7.920 1.309 ( -0.827 -0.000 3.328) 3.429 1.352 ( 0.094 0.000 -2.182) 2.184 1.487 ( -0.735 -0.000 -4.501) 4.560 1.597 ( 2.068 0.000 6.221) 6.556 1.695 ( -2.227 -0.000 5.644) 6.068 1.741 ( 0.802 0.000 -1.173) 1.421 1.811 ( -2.467 -0.000 3.825) 4.552 1.995 ( -0.985 -0.000 -1.859) 2.104 2.070 ( 4.987 0.000 -2.958) 5.798 2.166 ( -3.689 -0.000 -5.997) 7.041 2.431 ( -3.558 -0.000 4.671) 5.871 2.598 ( -0.623 -0.000 -1.722) 1.832 2.792 ( 1.698 0.000 -5.950) 6.187 2.818 ( -0.116 -0.000 -0.503) 0.516 3.065 ( 0.169 0.000 0.972) 0.987 3.160 ( -20.846 -0.000 -2.568) 21.003 3.270 ( 0.555 0.000 -0.019) 0.555 3.437 ( -0.768 -0.000 0.086) 0.773 3.565 ( 0.269 0.000 0.014) 0.270 3.623 ( 29.244 0.000 0.324) 29.246 3.897 ( -2.262 -0.000 1.399) 2.660 4.047 ( -0.033 -0.000 -0.219) 0.222 4.302 ( 23.974 0.000 -2.008) 24.058 4.354 ( -2.318 -0.000 -1.997) 3.059 4.498 ( 0.038 0.000 0.035) 0.051 4.844 ( 5.530 0.000 7.790) 9.554 5.174 ( -2.883 -0.000 6.735) 7.326 5.259 ( 0.050 0.000 0.011) 0.051 5.590 ( 0.033 0.000 -4.606) 4.606 5.657 ( 2.654 0.000 -1.724) 3.165 5.919 ( -19.176 -0.000 3.589) 19.509 6.462 ( -0.016 -0.000 0.070) 0.072 6.648 ( -9.176 -0.000 -6.431) 11.206 6.832 ( 11.515 0.000 -10.856) 15.826 7.314 ( -7.554 -0.000 10.749) 13.138 8.354 ( -4.941 -0.000 0.850) 5.013 9.706 ( -0.270 -0.000 0.669) 0.722 12.635 ( -0.021 -0.000 -0.023) 0.031 13.054 ( -0.309 -0.000 0.615) 0.688 13.630 ( -17.673 -0.000 -0.257) 17.675 14.429 ( 0.017 0.000 0.034) 0.038 15.070 ( 16.099 0.000 0.305) 16.102 16.339 ( 0.063 0.000 0.100) 0.118 ======================= Grid point 86 (27/140) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 4.297 -6.449 14.096) 16.086 0.534 ( 5.936 -14.025 8.726) 17.552 0.842 ( 9.983 -16.615 18.224) 26.605 1.112 ( -3.205 1.619 -4.264) 5.574 1.246 ( -3.106 -2.340 -8.391) 9.248 1.313 ( -0.737 1.741 -0.747) 2.033 1.381 ( -2.333 -6.675 3.311) 7.808 1.453 ( -0.207 1.050 -3.493) 3.653 1.671 ( -0.096 -2.883 2.672) 3.932 1.687 ( -4.886 -1.288 1.584) 5.295 1.760 ( 3.028 -2.345 5.243) 6.493 1.781 ( -1.360 -0.410 1.733) 2.241 1.948 ( -1.165 3.145 -1.843) 3.826 2.112 ( -0.673 -3.060 -0.428) 3.163 2.186 ( 2.832 -3.170 -4.884) 6.474 2.395 ( -4.349 1.429 3.255) 5.617 2.525 ( -2.554 5.914 7.212) 9.670 2.667 ( 0.301 9.494 0.969) 9.548 2.810 ( 2.024 0.025 -4.179) 4.643 2.854 ( 0.077 -3.128 -0.562) 3.179 3.302 ( -6.938 -11.284 -0.845) 13.273 3.379 ( 0.202 -9.676 0.559) 9.694 3.480 ( -4.754 -2.565 0.180) 5.405 3.611 ( 0.841 -4.050 -0.018) 4.136 3.849 ( -1.330 -3.490 -6.204) 7.241 3.907 ( 2.796 -1.699 -2.352) 4.029 4.096 ( 0.159 -4.926 0.616) 4.966 4.300 ( -5.093 -1.750 -5.095) 7.413 4.506 ( 7.828 -5.456 -8.524) 12.795 4.643 ( 4.132 -7.131 4.274) 9.284 5.156 ( 11.805 -10.308 -4.708) 16.364 5.174 ( 0.922 -2.616 2.950) 4.049 5.377 ( 6.033 -9.450 -4.309) 12.011 5.591 ( -2.386 -1.977 -4.956) 5.845 5.722 ( 0.398 -5.940 -1.342) 6.102 5.760 ( -14.292 1.610 7.736) 16.331 6.526 ( -6.095 0.822 0.758) 6.197 6.593 ( 3.303 -7.919 -0.931) 8.631 6.912 ( 9.053 -1.513 -7.951) 12.143 7.080 ( -9.319 10.822 12.673) 19.093 8.313 ( -2.248 0.764 2.525) 3.466 9.677 ( -0.257 2.819 0.575) 2.889 12.637 ( -0.102 -0.294 -0.037) 0.313 13.039 ( 0.195 0.998 0.200) 1.037 13.576 ( 2.407 1.042 2.319) 3.501 14.390 ( -0.786 5.051 9.969) 11.203 15.179 ( -1.297 -5.666 -11.659) 13.028 16.330 ( 0.666 1.314 0.153) 1.481 ======================= Grid point 87 (28/140) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 3.455 -8.610 10.924) 14.332 0.827 ( 9.127 -9.546 7.799) 15.338 1.014 ( -4.802 2.415 0.749) 5.427 1.223 ( -0.549 1.057 -4.282) 4.444 1.289 ( 3.726 -6.658 1.495) 7.774 1.357 ( 4.466 -14.338 5.321) 15.932 1.443 ( 0.411 -1.456 -2.962) 3.326 1.467 ( -3.062 -3.481 2.196) 5.130 1.664 ( -3.710 1.445 0.229) 3.988 1.723 ( 1.753 -2.349 -3.292) 4.408 1.796 ( -2.700 -3.067 1.346) 4.302 1.857 ( -4.665 3.355 -0.421) 5.761 1.868 ( 2.868 -3.995 3.813) 6.223 2.175 ( -2.999 -3.043 2.484) 4.941 2.243 ( 6.229 0.366 -3.701) 7.254 2.319 ( -2.367 3.278 1.984) 4.504 2.423 ( -5.509 1.581 4.559) 7.323 2.578 ( 1.128 2.263 -2.204) 3.354 2.827 ( 1.381 -0.680 -4.559) 4.812 2.918 ( 0.403 -3.384 -0.602) 3.460 3.429 ( -4.618 -5.173 0.835) 6.985 3.539 ( -2.789 -8.598 0.016) 9.039 3.589 ( 1.164 -10.526 0.729) 10.615 3.701 ( -1.467 -4.754 -0.531) 5.003 3.879 ( 0.504 -2.648 -0.074) 2.697 3.953 ( 0.560 -3.461 -2.702) 4.427 4.164 ( -2.666 -2.924 -1.295) 4.163 4.372 ( -3.144 -10.368 -5.499) 12.150 4.643 ( 1.228 -7.135 -7.999) 10.789 4.823 ( 4.356 -7.386 6.033) 10.484 5.208 ( -1.802 -3.022 6.076) 7.021 5.365 ( 2.059 -6.502 -1.252) 6.934 5.450 ( -7.554 2.693 6.613) 10.394 5.640 ( 3.052 -4.780 -8.491) 10.211 5.739 ( -3.844 -7.470 -0.788) 8.437 5.883 ( 4.107 -7.539 -1.147) 8.661 6.453 ( -3.270 1.444 3.100) 4.731 6.829 ( 7.323 -8.449 -1.792) 11.324 6.883 ( -6.290 3.371 1.278) 7.250 7.039 ( 4.509 -6.885 -2.541) 8.613 8.285 ( -2.079 1.064 2.226) 3.227 9.609 ( -0.201 4.193 0.541) 4.232 12.644 ( -0.062 -0.551 -0.071) 0.559 13.026 ( 1.401 1.119 -0.170) 1.801 13.577 ( 3.812 2.560 2.491) 5.224 14.274 ( -1.718 7.571 9.578) 12.329 15.254 ( -3.880 -7.106 -9.729) 12.657 16.304 ( 0.851 2.092 0.230) 2.270 ======================= Grid point 88 (29/140) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 1.223 -7.162 6.952) 10.055 0.936 ( -1.580 0.932 4.349) 4.720 1.062 ( 6.071 -7.050 3.506) 9.942 1.210 ( 1.208 -0.669 -0.963) 1.684 1.328 ( 0.243 -0.601 -0.109) 0.657 1.445 ( -1.915 0.013 -0.395) 1.955 1.504 ( 0.647 -2.099 -2.749) 3.519 1.565 ( -3.822 2.233 -1.265) 4.604 1.672 ( -1.395 1.960 0.891) 2.565 1.766 ( -1.618 -4.527 3.285) 5.823 1.790 ( 3.263 -2.215 -0.256) 3.952 1.840 ( -2.139 -5.228 -1.104) 5.755 1.961 ( 0.475 -3.206 2.220) 3.928 2.129 ( 3.199 5.231 1.034) 6.218 2.279 ( -2.492 -0.341 0.208) 2.523 2.302 ( 0.322 -2.571 0.937) 2.755 2.401 ( -4.357 -2.745 2.606) 5.772 2.568 ( 2.771 0.162 -2.224) 3.557 2.825 ( 0.196 0.810 -4.633) 4.707 2.975 ( 0.617 -2.329 -0.758) 2.526 3.473 ( -0.674 -2.492 1.676) 3.078 3.645 ( -1.033 -2.842 0.272) 3.036 3.722 ( -4.728 -4.875 -0.870) 6.847 3.795 ( 0.199 -7.305 -0.121) 7.309 3.920 ( 0.553 -1.052 0.941) 1.516 4.049 ( 1.857 -2.669 2.499) 4.101 4.231 ( 0.054 -8.156 -5.691) 9.945 4.524 ( -4.196 -8.619 -5.852) 11.231 4.755 ( -1.249 -6.515 -7.210) 9.797 4.996 ( 5.195 -5.090 7.099) 10.163 5.253 ( -4.795 -1.512 6.443) 8.173 5.335 ( -9.735 0.853 13.390) 16.577 5.470 ( -1.637 -5.111 -2.137) 5.777 5.749 ( 5.570 -3.885 -6.966) 9.728 5.852 ( 5.735 -2.740 -1.193) 6.467 6.028 ( 1.634 -5.732 -0.265) 5.966 6.435 ( -8.650 -3.219 1.977) 9.439 6.787 ( 0.236 2.459 -3.299) 4.122 6.993 ( 6.289 -3.431 -8.120) 10.828 7.266 ( 2.380 -12.467 4.436) 13.445 8.244 ( -2.594 1.753 1.936) 3.681 9.531 ( -0.123 3.788 0.726) 3.859 12.655 ( -0.035 -0.597 -0.072) 0.602 13.021 ( 1.687 0.773 -0.141) 1.861 13.551 ( 1.700 3.037 2.780) 4.455 14.151 ( -0.937 5.526 5.258) 7.685 15.328 ( -3.221 -5.337 -5.307) 8.187 16.273 ( 0.739 1.947 0.261) 2.098 ======================= Grid point 89 (30/140) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -3.455 1.365 4.530) 5.859 1.086 ( 2.251 -4.497 5.143) 7.193 1.187 ( 4.482 -3.837 -1.210) 6.023 1.267 ( 0.709 -0.526 2.424) 2.580 1.337 ( -0.540 -1.660 1.126) 2.077 1.405 ( -2.482 1.567 -0.496) 2.977 1.444 ( -1.668 2.216 -0.631) 2.844 1.536 ( -6.014 4.550 3.206) 8.194 1.624 ( 1.775 -4.255 -2.631) 5.308 1.761 ( -1.692 0.785 -5.386) 5.700 1.793 ( -0.770 0.203 -1.677) 1.856 1.959 ( -1.927 -0.362 2.484) 3.165 2.006 ( 3.508 0.322 2.218) 4.163 2.132 ( 6.369 -2.820 -1.189) 7.066 2.247 ( -3.981 1.523 -0.237) 4.269 2.334 ( -2.762 -1.121 4.694) 5.561 2.444 ( -0.783 -2.452 2.551) 3.624 2.606 ( 3.690 -1.136 -1.795) 4.257 2.789 ( 0.059 1.297 -4.767) 4.941 3.008 ( 0.719 -0.696 -0.929) 1.366 3.508 ( 0.145 -0.637 0.983) 1.181 3.655 ( -0.984 -0.800 1.562) 2.012 3.773 ( -1.857 -2.989 0.207) 3.525 3.877 ( 0.892 -1.191 -1.421) 2.057 3.951 ( 0.147 -1.380 2.155) 2.563 4.076 ( -0.338 -0.281 2.521) 2.559 4.391 ( 5.267 -5.483 -5.848) 9.592 4.570 ( -5.585 -2.713 -8.289) 10.357 4.828 ( -1.246 -3.394 -5.768) 6.808 5.110 ( 4.968 -0.641 8.555) 9.913 5.184 ( -9.633 1.844 10.561) 14.413 5.331 ( -1.538 -0.009 9.436) 9.560 5.553 ( -5.263 -7.522 -0.797) 9.215 5.770 ( 6.273 5.781 1.575) 8.675 5.978 ( 10.791 -4.235 -7.710) 13.922 6.107 ( 1.560 -0.477 -0.913) 1.870 6.395 ( -13.442 -1.857 1.873) 13.698 6.776 ( 2.443 -0.344 -7.187) 7.599 7.062 ( 3.858 -1.566 -6.957) 8.107 7.482 ( 1.296 -6.325 6.786) 9.367 8.194 ( -2.253 1.289 1.314) 2.909 9.481 ( -0.104 1.478 0.939) 1.754 12.663 ( -0.018 -0.311 -0.040) 0.314 13.023 ( 0.859 0.244 -0.036) 0.894 13.518 ( -0.182 1.387 2.713) 3.053 14.082 ( -0.295 2.333 2.822) 3.673 15.373 ( -1.072 -2.291 -2.876) 3.830 16.250 ( 0.302 0.864 0.243) 0.947 ======================= Grid point 90 (31/140) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -1.333 -0.281 4.154) 4.371 1.075 ( -2.072 5.983 6.464) 9.048 1.192 ( -6.472 3.629 -1.698) 7.612 1.230 ( -4.501 2.448 0.175) 5.127 1.383 ( 4.916 -4.990 -2.868) 7.569 1.420 ( 0.667 -0.485 3.559) 3.654 1.450 ( -0.452 -0.158 0.865) 0.988 1.499 ( 1.300 -5.670 2.169) 6.209 1.645 ( -0.737 2.328 -1.122) 2.687 1.754 ( 1.475 -2.074 -6.239) 6.738 1.797 ( -1.492 -0.985 0.047) 1.788 1.903 ( -1.305 4.678 -0.076) 4.857 2.014 ( 2.713 0.794 0.857) 2.954 2.152 ( -2.637 4.290 -2.244) 5.513 2.250 ( 4.206 -3.000 1.035) 5.269 2.292 ( -3.064 4.497 5.703) 7.883 2.475 ( -0.688 -1.137 2.846) 3.142 2.620 ( 0.958 1.283 -1.516) 2.205 2.795 ( 2.468 -1.363 -4.446) 5.265 3.007 ( 0.523 1.081 -1.046) 1.592 3.498 ( -0.470 1.193 0.773) 1.498 3.681 ( 0.152 -1.194 2.320) 2.614 3.790 ( 0.636 0.786 0.996) 1.419 3.872 ( 1.765 2.620 -1.519) 3.506 3.959 ( 0.317 1.388 2.135) 2.566 4.080 ( -0.737 -0.032 2.182) 2.303 4.410 ( -3.280 3.609 -3.708) 6.126 4.571 ( 6.678 0.244 -11.860) 13.613 4.823 ( -1.068 1.866 -5.611) 6.009 5.084 ( -6.183 4.307 10.485) 12.912 5.139 ( 4.458 3.505 8.500) 10.218 5.318 ( -1.614 1.857 8.616) 8.961 5.650 ( -5.296 -7.065 -1.082) 8.896 5.694 ( 4.164 6.860 4.065) 8.996 6.035 ( 3.514 7.810 -4.160) 9.521 6.125 ( 11.669 -1.054 -7.411) 13.864 6.319 ( -11.162 -0.914 3.855) 11.844 6.770 ( -0.147 0.885 -7.692) 7.744 7.095 ( 1.361 -1.156 -5.796) 6.065 7.505 ( -2.419 5.209 7.513) 9.457 8.188 ( -0.070 -1.588 1.046) 1.903 9.484 ( -0.173 -1.682 1.017) 1.973 12.665 ( -0.006 0.172 -0.009) 0.172 13.023 ( -0.626 -0.182 -0.018) 0.652 13.522 ( -1.316 -1.984 2.921) 3.768 14.067 ( -0.442 -0.339 2.293) 2.359 15.384 ( 1.960 0.977 -2.555) 3.365 16.249 ( -0.327 -0.675 0.195) 0.775 ======================= Grid point 91 (32/140) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -4.202 5.636 4.751) 8.485 0.960 ( -9.140 7.860 0.034) 12.055 0.992 ( -3.324 1.236 8.363) 9.084 1.228 ( 0.019 -1.084 -1.954) 2.234 1.373 ( -2.117 1.454 0.092) 2.570 1.463 ( 0.034 -0.736 0.086) 0.742 1.540 ( 4.624 -4.275 -2.762) 6.876 1.577 ( 0.082 4.383 0.365) 4.399 1.645 ( 4.745 -5.545 0.347) 7.307 1.679 ( -6.369 11.821 2.478) 13.654 1.810 ( 4.260 2.610 -0.485) 5.020 1.833 ( 0.497 -3.086 -1.895) 3.656 1.983 ( -2.285 3.139 2.482) 4.608 2.110 ( -0.057 -1.881 -6.096) 6.380 2.159 ( -0.276 8.025 5.288) 9.615 2.319 ( 2.269 -1.709 1.932) 3.435 2.490 ( -0.788 -0.208 3.950) 4.033 2.597 ( 0.187 1.018 -1.652) 1.950 2.821 ( 2.390 0.144 -4.970) 5.517 2.973 ( 0.186 2.556 -1.053) 2.771 3.478 ( 1.009 1.211 1.698) 2.317 3.676 ( -0.798 2.687 1.487) 3.173 3.760 ( 1.822 4.621 0.715) 5.018 3.785 ( 2.001 7.798 -0.324) 8.057 3.923 ( 0.718 2.777 1.016) 3.043 4.072 ( -1.607 0.274 1.281) 2.073 4.279 ( -3.055 5.314 -1.673) 6.353 4.560 ( 10.144 6.457 -12.964) 17.682 4.715 ( -1.292 7.287 -6.080) 9.578 4.949 ( -3.796 7.867 6.891) 11.126 5.112 ( 7.169 5.789 8.261) 12.376 5.279 ( -2.446 2.178 7.889) 8.542 5.596 ( 1.132 6.219 1.614) 6.524 5.709 ( -3.919 -2.375 -0.478) 4.607 5.875 ( 4.361 10.527 -3.710) 11.983 6.188 ( 8.086 1.941 -8.090) 11.602 6.286 ( -5.717 -2.613 8.108) 10.259 6.721 ( -1.040 1.420 -7.281) 7.491 7.102 ( -1.110 -0.527 -4.963) 5.113 7.307 ( -5.227 12.946 6.486) 15.394 8.239 ( 1.077 -2.505 1.659) 3.192 9.539 ( -0.266 -3.924 0.907) 4.037 12.658 ( -0.019 0.528 -0.010) 0.529 13.022 ( -1.507 -0.749 -0.098) 1.686 13.576 ( -3.637 -5.041 3.756) 7.263 14.097 ( 0.016 -2.543 3.555) 4.371 15.357 ( 4.822 4.288 -4.482) 7.857 16.269 ( -0.860 -1.890 0.152) 2.082 ======================= Grid point 92 (33/140) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -7.714 10.037 5.365) 13.749 0.708 ( -10.196 9.116 8.211) 15.952 1.067 ( 1.039 -5.473 3.994) 6.855 1.195 ( -2.738 12.333 1.363) 12.707 1.309 ( -2.006 5.185 -2.297) 6.015 1.341 ( -2.714 4.684 1.796) 5.704 1.486 ( -0.293 -0.711 -1.384) 1.583 1.504 ( 0.586 5.652 1.464) 5.868 1.635 ( 1.377 -2.455 -1.802) 3.342 1.748 ( 3.275 4.041 2.705) 5.863 1.770 ( 3.406 -1.926 -2.273) 4.525 1.831 ( -2.089 5.134 2.510) 6.085 1.966 ( -1.772 1.270 4.293) 4.815 2.044 ( 2.923 -0.041 -1.279) 3.190 2.152 ( 2.514 -0.277 -3.458) 4.284 2.383 ( 0.425 -4.111 2.943) 5.074 2.479 ( -1.533 1.312 5.403) 5.767 2.586 ( 0.470 -0.378 -2.658) 2.725 2.811 ( 1.930 1.260 -5.461) 5.927 2.917 ( 0.033 3.273 -0.923) 3.401 3.477 ( 4.009 2.306 2.694) 5.352 3.555 ( 0.807 10.360 0.832) 10.424 3.587 ( -0.739 10.617 0.284) 10.647 3.692 ( 0.375 5.164 -0.592) 5.211 3.888 ( 1.598 1.982 0.256) 2.559 4.049 ( -3.825 -0.203 -1.599) 4.151 4.178 ( -0.122 4.619 -0.349) 4.634 4.454 ( 10.034 10.478 -11.834) 18.722 4.530 ( -1.064 9.181 -6.314) 11.193 4.765 ( -1.766 10.077 4.080) 11.014 5.079 ( 9.476 7.036 3.547) 12.324 5.233 ( -3.261 1.764 7.164) 8.067 5.479 ( -1.050 6.782 0.813) 6.911 5.673 ( -0.052 3.450 -2.387) 4.196 5.740 ( 4.062 6.527 -2.646) 8.130 6.153 ( -2.988 2.089 -7.223) 8.091 6.373 ( 0.743 -6.587 11.014) 12.855 6.694 ( 0.337 -0.329 -6.209) 6.227 6.991 ( -4.395 13.615 1.612) 14.397 7.103 ( -3.916 -0.095 0.053) 3.918 8.293 ( 0.465 -2.172 2.184) 3.115 9.616 ( -0.354 -4.199 0.681) 4.269 12.647 ( -0.033 0.552 -0.031) 0.554 13.028 ( -1.320 -1.140 -0.104) 1.747 13.650 ( -8.785 -7.260 4.018) 12.084 14.180 ( 1.898 -4.445 8.200) 9.518 15.279 ( 7.401 8.194 -9.507) 14.571 16.301 ( -1.038 -2.186 0.136) 2.423 ======================= Grid point 93 (34/140) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( -4.324 9.068 9.514) 13.836 0.486 ( -4.627 12.288 10.948) 17.096 0.766 ( -8.440 20.063 15.995) 27.011 1.170 ( -1.230 -3.503 -3.802) 5.314 1.305 ( -0.382 -0.125 -5.647) 5.661 1.312 ( 0.359 -2.083 0.684) 2.222 1.391 ( -0.147 6.692 2.236) 7.057 1.480 ( -1.312 -0.316 -3.783) 4.017 1.657 ( 0.927 7.077 4.063) 8.213 1.679 ( 2.537 -0.695 7.484) 7.933 1.729 ( 0.147 1.305 0.402) 1.373 1.804 ( -1.297 0.677 -0.332) 1.500 1.961 ( 0.453 -2.412 0.280) 2.470 2.070 ( 3.705 2.154 -0.903) 4.379 2.178 ( 0.911 -1.519 -4.510) 4.846 2.447 ( -3.542 0.049 5.457) 6.506 2.515 ( 0.784 -7.766 10.079) 12.747 2.630 ( 3.246 -5.590 -1.824) 6.716 2.798 ( 1.815 0.400 -5.178) 5.501 2.855 ( -0.000 2.935 -0.722) 3.023 3.349 ( 1.963 9.735 0.337) 9.937 3.375 ( 1.431 9.812 0.707) 9.941 3.518 ( 3.327 0.038 2.133) 3.952 3.608 ( -0.732 3.441 -0.045) 3.518 3.853 ( 3.657 6.958 -8.271) 11.411 3.965 ( -9.370 4.376 -8.267) 13.240 4.086 ( 0.677 4.359 0.032) 4.411 4.305 ( 16.043 14.040 -6.832) 22.387 4.384 ( -2.965 2.334 -4.568) 5.925 4.595 ( 0.335 7.886 3.444) 8.611 4.979 ( 6.141 12.146 -0.012) 13.610 5.193 ( -3.465 0.995 6.831) 7.724 5.342 ( -0.096 6.995 -0.257) 7.000 5.613 ( 1.463 2.393 -3.713) 4.653 5.675 ( 2.797 3.501 -1.784) 4.823 6.050 ( -14.133 -0.389 -4.980) 14.990 6.514 ( 5.061 1.049 2.558) 5.767 6.681 ( -10.390 -3.477 0.167) 10.958 6.789 ( 8.056 4.824 -6.686) 11.527 7.143 ( -4.138 -8.758 10.944) 14.615 8.338 ( -1.480 -2.761 2.106) 3.775 9.680 ( -0.411 -2.706 0.581) 2.798 12.638 ( -0.002 0.330 -0.037) 0.332 13.041 ( -0.442 -1.030 0.277) 1.155 13.705 ( -18.290 -9.298 0.511) 20.525 14.324 ( 3.164 -5.980 14.329) 15.846 15.129 ( 12.969 13.957 -14.048) 23.672 16.329 ( -0.765 -1.454 0.120) 1.648 ======================= Grid point 95 (35/140) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 8.200 0.000 9.788) 12.769 0.494 ( 4.527 0.000 16.225) 16.844 0.893 ( 19.937 0.000 17.724) 26.676 1.094 ( -0.211 -0.000 -9.602) 9.604 1.144 ( -7.487 -0.000 -2.849) 8.011 1.291 ( -3.085 -0.000 3.467) 4.641 1.328 ( -1.135 -0.000 -3.725) 3.894 1.457 ( -0.870 -0.000 -4.262) 4.350 1.637 ( -0.184 -0.000 2.622) 2.629 1.641 ( -4.205 -0.000 2.197) 4.744 1.737 ( -0.816 -0.000 2.120) 2.272 1.804 ( 0.601 0.000 6.599) 6.627 1.980 ( 0.387 0.000 -2.672) 2.700 2.027 ( -8.914 -0.000 0.668) 8.939 2.159 ( 3.420 0.000 -5.534) 6.505 2.387 ( -2.757 -0.000 1.301) 3.049 2.573 ( -1.718 -0.000 3.536) 3.932 2.773 ( -2.829 -0.000 -3.422) 4.440 2.817 ( 0.271 0.000 -0.546) 0.610 2.877 ( -7.538 -0.000 5.032) 9.063 3.069 ( -0.170 -0.000 0.922) 0.937 3.283 ( 0.800 0.000 0.390) 0.890 3.404 ( -2.818 -0.000 -0.231) 2.827 3.577 ( 0.941 0.000 0.138) 0.951 3.815 ( 1.137 0.000 -4.449) 4.592 3.912 ( 1.797 0.000 -0.680) 1.922 4.042 ( -0.408 -0.000 -0.334) 0.528 4.236 ( -7.711 -0.000 -3.012) 8.279 4.498 ( -0.125 -0.000 0.070) 0.143 4.606 ( 8.376 0.000 -3.679) 9.149 5.161 ( 6.525 0.000 0.798) 6.574 5.166 ( 13.886 0.000 -10.775) 17.576 5.283 ( 2.679 0.000 0.024) 2.679 5.538 ( -5.095 -0.000 -1.201) 5.235 5.617 ( -9.280 -0.000 3.971) 10.094 5.787 ( 5.410 0.000 6.448) 8.417 6.454 ( -0.929 -0.000 0.073) 0.932 6.549 ( -0.376 -0.000 -6.772) 6.782 6.951 ( 7.688 0.000 -8.486) 11.451 7.136 ( -15.534 -0.000 13.048) 20.287 8.304 ( -2.413 -0.000 2.376) 3.387 9.705 ( -0.157 -0.000 0.689) 0.707 12.632 ( -0.298 -0.000 -0.027) 0.300 13.054 ( 1.347 0.000 -0.174) 1.358 13.651 ( 9.489 0.000 1.384) 9.590 14.431 ( 0.175 0.000 0.037) 0.178 15.071 ( -8.916 -0.000 -2.319) 9.212 16.352 ( 1.376 0.000 0.239) 1.396 ======================= Grid point 96 (36/140) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 4.016 -5.741 11.813) 13.735 0.670 ( 6.527 -14.999 6.607) 17.641 0.999 ( -3.879 1.009 -2.076) 4.514 1.161 ( 1.718 -5.572 -6.880) 9.019 1.210 ( 12.755 -7.508 10.553) 18.177 1.290 ( 0.656 1.200 -0.076) 1.370 1.342 ( -4.067 -6.413 3.046) 8.182 1.431 ( -0.410 0.431 -3.431) 3.482 1.620 ( -3.050 -0.710 0.878) 3.252 1.666 ( -1.756 -3.019 -2.276) 4.169 1.763 ( -0.838 -0.884 3.974) 4.156 1.832 ( 0.316 -1.565 1.380) 2.110 1.905 ( -1.969 2.951 3.211) 4.784 2.062 ( -2.526 -5.401 0.054) 5.962 2.201 ( -0.337 -3.859 -4.431) 5.885 2.350 ( -2.143 1.759 0.393) 2.800 2.517 ( -1.861 6.225 6.338) 9.077 2.652 ( -1.118 5.802 -0.918) 5.980 2.824 ( 1.297 0.392 -3.615) 3.861 2.857 ( 0.672 -3.258 -0.641) 3.388 3.207 ( -3.751 -11.224 0.503) 11.845 3.383 ( -0.946 -8.300 0.842) 8.396 3.420 ( -2.179 -4.880 -0.318) 5.354 3.624 ( 0.632 -3.594 0.143) 3.652 3.823 ( -0.059 -1.967 -2.916) 3.518 3.919 ( -0.278 -0.395 -0.430) 0.647 4.086 ( -1.927 -3.547 0.902) 4.137 4.185 ( -5.469 -3.772 -4.179) 7.849 4.528 ( 0.023 -3.768 -5.186) 6.410 4.725 ( 1.998 -7.378 2.320) 7.988 5.173 ( 0.047 -0.883 3.997) 4.094 5.264 ( -0.386 -3.275 -0.351) 3.317 5.459 ( 1.906 -4.123 -4.359) 6.295 5.481 ( -8.596 -6.355 6.611) 12.569 5.587 ( 3.164 -1.596 -6.620) 7.509 5.877 ( 9.851 -1.981 1.239) 10.124 6.470 ( -1.767 0.989 -1.882) 2.764 6.623 ( 1.721 -11.014 -3.866) 11.798 6.965 ( -9.309 6.156 9.742) 14.814 7.005 ( 5.669 -1.260 -6.648) 8.827 8.285 ( -2.444 0.479 1.984) 3.184 9.677 ( -0.001 2.882 0.704) 2.966 12.633 ( -0.325 -0.407 -0.072) 0.526 13.062 ( 2.760 0.919 -0.585) 2.967 13.691 ( 7.206 3.512 2.843) 8.506 14.399 ( -1.475 4.488 6.031) 7.661 15.042 ( -8.793 -6.521 -7.782) 13.431 16.353 ( 1.991 1.510 0.260) 2.513 ======================= Grid point 97 (37/140) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 1.813 -7.507 8.174) 11.245 0.940 ( -1.318 -0.504 1.826) 2.308 0.973 ( 4.499 -8.164 3.940) 10.120 1.200 ( 0.352 -0.778 -4.364) 4.447 1.299 ( -0.319 -3.157 -0.991) 3.324 1.405 ( -2.960 -2.512 -1.230) 4.072 1.422 ( -1.773 -4.838 -1.246) 5.301 1.567 ( 4.871 -3.500 2.138) 6.368 1.623 ( 5.896 -4.519 2.423) 7.814 1.702 ( -3.119 -4.860 -1.670) 6.012 1.735 ( -7.952 2.545 2.088) 8.606 1.804 ( 0.862 -0.112 4.053) 4.145 1.946 ( 4.804 -1.529 2.144) 5.478 2.149 ( -0.205 -4.311 2.033) 4.771 2.247 ( -4.071 -2.489 -2.783) 5.524 2.320 ( -0.778 -1.251 0.933) 1.743 2.359 ( -1.495 7.803 1.772) 8.140 2.600 ( 2.274 1.412 -1.361) 3.002 2.825 ( 0.507 -0.030 -4.272) 4.302 2.926 ( 0.879 -3.372 -0.588) 3.534 3.374 ( -2.662 -7.734 1.908) 8.399 3.487 ( -3.010 -9.033 -0.997) 9.573 3.608 ( 0.604 -10.807 0.728) 10.848 3.668 ( -1.656 -1.226 -0.520) 2.125 3.899 ( 0.470 -2.633 0.557) 2.733 3.965 ( 1.559 -8.608 -0.439) 8.759 4.085 ( -4.835 -1.303 -0.629) 5.047 4.302 ( -3.141 -10.110 -4.115) 11.358 4.598 ( -2.668 -6.303 -7.423) 10.097 4.907 ( 1.170 -9.334 4.528) 10.440 5.186 ( -7.409 -1.387 3.006) 8.115 5.281 ( -4.345 -1.190 14.660) 15.337 5.426 ( -0.288 -0.025 -0.498) 0.575 5.641 ( 1.085 -8.467 -2.589) 8.920 5.742 ( 6.503 -9.543 -7.866) 13.973 6.004 ( 7.084 -3.546 -1.926) 8.153 6.394 ( -4.063 3.947 1.295) 5.811 6.806 ( -1.549 -0.172 -4.027) 4.318 6.915 ( 2.217 -8.701 2.114) 9.224 7.086 ( 2.190 -6.563 -2.274) 7.283 8.252 ( -2.833 1.148 1.670) 3.483 9.610 ( 0.059 4.263 0.763) 4.331 12.641 ( -0.287 -0.683 -0.101) 0.747 13.062 ( 3.038 1.536 -0.494) 3.440 13.661 ( 3.707 5.059 3.806) 7.336 14.283 ( -0.172 7.336 5.598) 9.229 15.118 ( -8.234 -9.787 -6.949) 14.556 16.332 ( 2.371 2.576 0.288) 3.513 ======================= Grid point 98 (38/140) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -4.492 -0.306 4.785) 6.571 1.009 ( 3.479 -6.106 5.523) 8.938 1.139 ( 3.425 -4.745 -0.929) 5.926 1.239 ( 2.224 -3.177 0.391) 3.898 1.341 ( 0.967 -0.454 0.992) 1.458 1.394 ( -4.062 0.171 -0.663) 4.120 1.488 ( -2.035 4.170 -1.445) 4.860 1.519 ( 0.192 -5.260 -2.782) 5.954 1.588 ( -7.261 4.193 3.475) 9.076 1.714 ( -3.388 -2.300 -5.416) 6.790 1.773 ( -2.161 -0.134 -1.431) 2.595 1.950 ( 7.137 -4.523 8.056) 11.674 2.007 ( 5.055 -2.671 0.597) 5.748 2.168 ( -1.580 1.786 2.707) 3.608 2.244 ( 0.681 0.970 -3.151) 3.366 2.288 ( -1.227 -2.365 2.730) 3.815 2.381 ( 0.088 -4.070 1.112) 4.220 2.611 ( 2.712 -0.573 -1.310) 3.066 2.805 ( -0.154 1.289 -4.520) 4.703 2.986 ( 0.860 -2.236 -0.658) 2.484 3.464 ( -1.453 -3.930 1.968) 4.629 3.635 ( -0.221 -2.778 0.175) 2.793 3.654 ( -2.738 -5.640 -0.919) 6.337 3.798 ( -0.002 -7.569 0.400) 7.579 3.924 ( -0.789 -1.387 2.186) 2.706 4.068 ( -1.601 -0.434 1.434) 2.193 4.229 ( 2.782 -13.708 -3.250) 14.360 4.417 ( -5.166 -6.981 -5.939) 10.521 4.693 ( -2.354 -7.425 -6.210) 9.961 5.073 ( -2.288 -6.527 5.957) 9.128 5.135 ( -7.923 -0.941 7.055) 10.650 5.331 ( 0.850 -1.324 14.637) 14.722 5.435 ( -1.225 -2.092 -2.825) 3.723 5.811 ( 4.240 -6.052 -2.555) 7.819 5.947 ( 7.974 -7.553 -6.302) 12.663 6.101 ( 3.336 -2.756 -3.217) 5.392 6.286 ( -6.768 2.517 3.962) 8.236 6.778 ( 1.005 0.338 -6.308) 6.397 7.030 ( 1.311 -2.468 -5.500) 6.169 7.319 ( 1.280 -13.282 5.563) 14.457 8.204 ( -2.746 1.632 1.203) 3.414 9.534 ( 0.010 3.837 0.913) 3.944 12.652 ( -0.238 -0.719 -0.073) 0.761 13.053 ( 2.164 1.680 -0.269) 2.752 13.592 ( 1.126 4.893 3.565) 6.157 14.174 ( 2.056 5.983 2.918) 6.967 15.219 ( -7.457 -9.001 -3.781) 12.285 16.301 ( 2.441 2.814 0.277) 3.736 ======================= Grid point 99 (39/140) ======================= q-point: ( 0.56 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -2.382 -0.299 5.620) 6.112 1.123 ( 0.382 -2.979 2.221) 3.735 1.208 ( -1.199 2.479 1.169) 2.991 1.258 ( -6.812 5.383 2.839) 9.134 1.322 ( 2.308 -4.010 -0.980) 4.729 1.414 ( 3.503 -1.386 0.707) 3.833 1.428 ( 0.335 -2.667 0.617) 2.758 1.471 ( -2.550 2.574 1.894) 4.088 1.637 ( 0.738 -3.357 -2.256) 4.112 1.700 ( -2.310 -1.502 -5.662) 6.297 1.747 ( -3.224 -0.908 -1.494) 3.667 1.970 ( 1.888 2.426 -0.304) 3.089 2.079 ( 2.956 2.427 3.923) 5.479 2.162 ( -3.435 -0.267 -1.708) 3.845 2.254 ( 6.418 -1.268 0.359) 6.552 2.333 ( -0.457 -0.705 4.667) 4.742 2.445 ( 0.059 -2.043 1.904) 2.793 2.635 ( -0.250 0.216 -1.226) 1.270 2.784 ( 1.943 -0.437 -4.375) 4.807 3.017 ( 0.635 -0.522 -0.831) 1.169 3.493 ( -2.148 -0.634 0.716) 2.351 3.653 ( -0.238 -2.022 1.836) 2.742 3.765 ( 0.695 -4.271 -0.093) 4.328 3.886 ( 0.846 -1.895 -0.756) 2.209 3.953 ( -1.715 -1.789 3.301) 4.128 4.071 ( -0.662 -0.529 0.648) 1.067 4.362 ( -7.019 -2.607 -3.837) 8.414 4.555 ( 9.044 -7.893 -7.675) 14.248 4.779 ( -1.555 -3.983 -4.926) 6.523 5.073 ( -7.602 -0.367 6.979) 10.326 5.184 ( -0.525 -2.621 5.411) 6.035 5.371 ( 1.044 1.281 14.444) 14.538 5.484 ( -2.996 -5.383 -0.649) 6.194 5.849 ( 2.411 4.463 1.469) 5.281 6.103 ( -5.454 -0.922 -5.246) 7.624 6.155 ( 11.665 -4.585 -9.032) 15.449 6.249 ( 0.985 -0.334 5.896) 5.987 6.771 ( 0.862 0.475 -7.552) 7.616 7.051 ( -1.784 -1.643 -5.358) 5.881 7.514 ( -1.169 -4.534 6.974) 8.400 8.169 ( -0.995 -0.027 0.852) 1.310 9.483 ( -0.129 1.547 1.009) 1.851 12.661 ( -0.189 -0.416 -0.009) 0.457 13.034 ( 0.495 1.454 -0.106) 1.540 13.532 ( 0.344 2.512 2.956) 3.894 14.106 ( 1.836 3.597 2.082) 4.544 15.309 ( -4.757 -6.676 -2.350) 8.527 16.273 ( 2.048 2.127 0.185) 2.959 ======================= Grid point 100 (40/140) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -0.602 -0.487 5.818) 5.869 1.052 ( -8.135 8.723 2.279) 12.143 1.065 ( -2.233 7.806 7.643) 11.150 1.186 ( -1.119 -2.489 -1.302) 3.024 1.379 ( -1.291 0.120 -0.423) 1.364 1.448 ( 0.555 -0.487 -0.766) 1.064 1.478 ( 2.146 -4.338 0.186) 4.843 1.569 ( 3.608 -5.050 0.813) 6.260 1.632 ( 1.438 0.263 -1.125) 1.844 1.741 ( 0.358 -4.254 -4.600) 6.276 1.757 ( -2.063 -0.505 0.763) 2.257 1.919 ( 1.737 4.488 -1.466) 5.030 2.046 ( -2.298 3.988 3.289) 5.657 2.100 ( 1.209 1.900 -4.732) 5.240 2.293 ( -0.733 4.069 6.034) 7.314 2.330 ( 4.059 0.529 0.935) 4.199 2.475 ( -0.488 -1.255 2.582) 2.912 2.603 ( -2.012 0.774 -1.656) 2.718 2.822 ( 2.583 -1.246 -4.131) 5.029 3.011 ( 0.378 1.312 -1.020) 1.704 3.482 ( -1.659 -0.225 0.885) 1.893 3.688 ( -0.269 -0.784 1.593) 1.795 3.817 ( 1.963 -0.179 0.201) 1.981 3.895 ( 1.566 2.112 -0.500) 2.676 3.957 ( -2.385 0.377 2.794) 3.692 4.070 ( -0.313 0.572 -0.334) 0.733 4.301 ( -5.503 1.717 -2.468) 6.271 4.702 ( 11.420 1.056 -10.727) 15.703 4.783 ( -0.159 1.346 -4.742) 4.932 5.019 ( -4.705 2.455 5.236) 7.455 5.214 ( 0.396 -0.134 3.867) 3.889 5.363 ( 2.216 4.076 14.360) 15.091 5.575 ( -4.642 -7.349 1.892) 8.896 5.741 ( -0.215 7.574 2.981) 8.142 6.001 ( -7.196 3.368 -5.094) 9.437 6.219 ( 3.764 3.353 -3.171) 5.956 6.350 ( 12.988 -1.165 0.133) 13.041 6.730 ( -0.894 2.050 -6.724) 7.087 7.049 ( -3.513 -1.662 -5.288) 6.562 7.472 ( -4.539 7.242 6.062) 10.479 8.202 ( 0.966 -2.647 1.515) 3.199 9.484 ( -0.285 -1.610 0.936) 1.885 12.663 ( -0.165 0.106 0.045) 0.201 13.011 ( -0.673 0.682 -0.075) 0.961 13.519 ( -0.509 -0.363 2.839) 2.907 14.083 ( 0.713 0.338 2.820) 2.928 15.373 ( -1.177 -3.080 -2.815) 4.336 16.260 ( 1.196 0.693 0.027) 1.383 ======================= Grid point 101 (41/140) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.474 9.584 6.758) 11.737 0.828 ( -5.600 9.114 8.340) 13.564 1.003 ( -0.791 -1.861 5.680) 6.029 1.220 ( -0.081 -1.766 -2.347) 2.938 1.346 ( -0.848 1.643 -1.563) 2.421 1.456 ( -0.078 0.009 -1.282) 1.284 1.550 ( -1.818 -0.386 0.031) 1.859 1.600 ( 1.664 -0.281 0.644) 1.806 1.626 ( -0.873 12.332 2.883) 12.695 1.708 ( 2.155 -3.363 -4.091) 5.718 1.851 ( 1.042 2.947 0.454) 3.159 1.871 ( 4.504 -3.956 1.120) 6.098 1.939 ( -3.864 1.483 -0.010) 4.139 2.081 ( 0.193 2.173 -2.026) 2.977 2.219 ( 2.904 3.823 3.319) 5.836 2.340 ( -0.547 -0.194 1.369) 1.487 2.490 ( -1.132 -0.119 3.393) 3.579 2.577 ( -1.359 0.099 -2.094) 2.498 2.837 ( 1.716 0.576 -4.694) 5.031 2.973 ( 0.263 2.716 -0.999) 2.906 3.486 ( -0.686 -0.976 1.318) 1.778 3.671 ( -0.586 2.731 1.152) 3.022 3.780 ( 0.671 7.559 -0.319) 7.596 3.821 ( 1.903 6.084 0.166) 6.377 3.924 ( -2.039 1.142 2.008) 3.081 4.036 ( -1.401 1.996 -2.448) 3.455 4.229 ( -1.212 2.301 -0.865) 2.740 4.631 ( 0.828 8.204 -7.145) 10.910 4.728 ( 7.185 7.240 -8.404) 13.216 4.915 ( -2.342 6.610 3.290) 7.746 5.225 ( 2.397 0.861 2.022) 3.252 5.319 ( 4.381 6.031 10.210) 12.642 5.601 ( -1.594 6.893 2.473) 7.495 5.664 ( -2.140 -3.806 2.060) 4.828 5.862 ( -5.067 4.658 -4.633) 8.296 6.144 ( -1.728 4.822 -1.991) 5.496 6.423 ( 8.828 3.047 4.884) 10.539 6.690 ( 1.836 0.234 -6.691) 6.942 7.032 ( -4.113 -0.979 -5.088) 6.615 7.241 ( -4.553 13.498 4.375) 14.902 8.262 ( 0.541 -2.309 2.139) 3.194 9.536 ( -0.381 -3.868 0.701) 3.950 12.656 ( -0.153 0.486 0.051) 0.512 13.003 ( -0.654 -0.464 -0.076) 0.805 13.537 ( -2.436 -1.903 2.937) 4.264 14.125 ( 0.502 -3.569 5.722) 6.763 15.383 ( 1.432 1.439 -5.601) 5.958 16.269 ( 0.377 -0.910 -0.075) 0.988 ======================= Grid point 102 (42/140) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 2.597 10.882 8.479) 14.038 0.665 ( 0.525 9.072 14.888) 17.442 1.069 ( -2.249 -3.595 1.755) 4.589 1.193 ( 1.451 14.879 3.689) 15.398 1.275 ( -0.968 3.446 -4.154) 5.483 1.330 ( 0.330 4.128 0.473) 4.169 1.461 ( -1.071 0.234 -2.610) 2.831 1.500 ( -1.921 3.969 2.311) 4.978 1.663 ( 1.814 -1.037 1.453) 2.545 1.755 ( -2.337 -1.493 -3.292) 4.305 1.801 ( 1.214 3.461 2.375) 4.369 1.829 ( 0.290 5.953 2.898) 6.627 1.925 ( -3.457 -0.314 -0.744) 3.550 2.132 ( 7.514 -2.457 -1.388) 8.026 2.187 ( 1.117 2.345 0.661) 2.680 2.365 ( -3.541 -4.258 2.950) 6.275 2.471 ( -2.580 0.659 4.754) 5.449 2.578 ( 0.203 -1.711 -2.729) 3.227 2.820 ( 1.684 1.259 -4.921) 5.351 2.916 ( 0.245 3.374 -0.761) 3.468 3.498 ( -2.950 -0.351 0.925) 3.111 3.568 ( 0.099 9.126 1.102) 9.193 3.572 ( -0.537 11.920 0.453) 11.940 3.704 ( 1.023 6.957 -0.524) 7.052 3.900 ( -1.602 0.396 1.531) 2.251 3.969 ( -1.544 2.944 -6.362) 7.178 4.178 ( 0.388 3.454 -0.221) 3.483 4.443 ( -2.384 8.529 -6.470) 10.968 4.608 ( 7.749 9.358 -9.162) 15.217 4.763 ( 0.231 8.668 4.050) 9.571 5.213 ( -1.081 2.152 5.524) 6.027 5.258 ( 9.478 8.004 -1.184) 12.462 5.483 ( 0.842 5.824 1.189) 6.004 5.664 ( -0.483 2.689 -2.445) 3.666 5.752 ( -1.357 2.496 -1.142) 3.062 5.983 ( -10.117 7.111 -3.641) 12.891 6.472 ( -0.622 -3.839 9.862) 10.601 6.701 ( 6.389 3.263 -4.026) 8.226 6.972 ( 1.062 11.529 0.323) 11.583 7.010 ( -5.912 -2.320 -0.907) 6.416 8.300 ( -0.808 -1.439 2.397) 2.910 9.612 ( -0.404 -4.165 0.475) 4.211 12.645 ( -0.090 0.497 0.015) 0.506 13.016 ( -0.087 -1.185 0.033) 1.188 13.554 ( -3.117 -1.810 2.682) 4.493 14.245 ( 0.395 -6.734 10.955) 12.866 15.314 ( 1.883 5.571 -10.982) 12.457 16.297 ( 0.208 -1.739 -0.012) 1.751 ======================= Grid point 105 (43/140) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 9.603 0.000 7.779) 12.358 0.614 ( 2.561 0.000 12.012) 12.282 0.983 ( -4.156 -0.000 -0.852) 4.243 1.076 ( 2.609 0.000 -8.328) 8.727 1.235 ( -5.433 -0.000 3.405) 6.412 1.253 ( 2.538 0.000 -2.571) 3.613 1.342 ( 5.766 0.000 2.866) 6.439 1.451 ( 8.508 0.000 4.445) 9.600 1.603 ( -3.611 -0.000 -1.531) 3.922 1.605 ( -0.857 -0.000 0.913) 1.252 1.740 ( -0.900 -0.000 3.933) 4.035 1.804 ( -7.691 -0.000 0.553) 7.711 1.943 ( 2.785 0.000 4.869) 5.609 1.987 ( 1.499 0.000 -1.784) 2.330 2.144 ( -2.959 -0.000 -2.735) 4.029 2.351 ( -2.152 -0.000 -1.175) 2.452 2.574 ( -1.545 -0.000 4.661) 4.910 2.700 ( -2.894 -0.000 -1.149) 3.113 2.822 ( 0.507 0.000 -0.518) 0.724 2.841 ( -0.292 -0.000 -2.413) 2.431 3.069 ( -0.121 -0.000 0.576) 0.589 3.292 ( -0.361 -0.000 0.673) 0.764 3.356 ( -2.363 -0.000 -0.175) 2.369 3.592 ( 0.754 0.000 0.172) 0.773 3.799 ( -1.029 -0.000 -2.369) 2.583 3.914 ( -1.247 -0.000 1.065) 1.640 4.033 ( -0.435 -0.000 -0.543) 0.696 4.110 ( -5.518 -0.000 -0.596) 5.550 4.495 ( -0.281 -0.000 0.117) 0.304 4.620 ( -4.607 -0.000 -4.919) 6.739 5.147 ( -5.206 -0.000 -2.381) 5.725 5.284 ( 4.152 0.000 4.078) 5.820 5.341 ( 4.094 0.000 0.009) 4.094 5.452 ( -4.516 -0.000 4.197) 6.165 5.602 ( 6.038 0.000 -5.388) 8.093 5.949 ( 8.608 0.000 5.039) 9.975 6.434 ( -1.554 -0.000 0.079) 1.556 6.526 ( 0.812 0.000 -10.804) 10.834 6.958 ( -9.405 -0.000 7.163) 11.822 7.026 ( 3.294 0.000 -4.143) 5.293 8.272 ( -2.604 -0.000 1.704) 3.111 9.708 ( 0.047 0.000 0.798) 0.799 12.626 ( -0.439 -0.000 -0.014) 0.440 13.099 ( 4.157 0.000 -1.105) 4.302 13.788 ( 4.276 0.000 4.853) 6.469 14.435 ( 0.253 0.000 0.022) 0.254 14.890 ( -9.907 -0.000 -3.659) 10.562 16.387 ( 2.656 0.000 0.180) 2.662 ======================= Grid point 106 (44/140) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 2.037 -4.447 7.608) 9.045 0.807 ( 6.926 -12.843 6.147) 15.833 0.952 ( -0.564 0.729 3.191) 3.322 1.156 ( 3.135 -5.094 -6.517) 8.846 1.224 ( -2.795 -0.822 -2.443) 3.802 1.272 ( -5.087 -5.967 1.152) 7.925 1.350 ( -1.936 -1.110 -2.973) 3.718 1.571 ( 1.724 -0.491 0.111) 1.796 1.599 ( -4.238 -2.467 -2.665) 5.581 1.653 ( 15.337 -2.637 8.923) 17.939 1.713 ( -8.286 1.886 1.479) 8.625 1.785 ( -0.091 -3.539 3.755) 5.160 1.979 ( 4.628 0.148 1.576) 4.891 2.062 ( 2.249 -5.348 -0.246) 5.806 2.138 ( -4.687 -2.886 0.345) 5.515 2.313 ( -2.662 1.206 -1.314) 3.204 2.494 ( -3.387 6.580 2.522) 7.818 2.650 ( 1.320 2.529 -1.393) 3.174 2.821 ( 0.219 0.306 -3.735) 3.754 2.867 ( 0.763 -3.356 -0.806) 3.535 3.173 ( -1.150 -9.745 0.640) 9.834 3.343 ( -2.897 -4.493 -0.036) 5.346 3.411 ( -0.062 -8.507 0.593) 8.528 3.633 ( 0.538 -2.799 0.123) 2.853 3.800 ( -2.156 -3.112 -2.226) 4.391 3.902 ( -2.399 -0.205 2.217) 3.274 4.057 ( -0.846 -0.939 2.592) 2.884 4.117 ( -1.665 -5.849 -2.253) 6.485 4.477 ( -3.787 -1.652 -5.842) 7.156 4.694 ( -5.328 -11.166 0.800) 12.398 5.095 ( -8.442 -0.937 -0.794) 8.531 5.313 ( 5.535 0.787 7.999) 9.759 5.422 ( -3.104 0.354 2.750) 4.162 5.480 ( 2.530 -8.411 1.690) 8.944 5.673 ( 8.538 -3.135 -7.590) 11.846 6.006 ( 3.977 0.050 1.254) 4.171 6.448 ( 1.154 1.754 -3.649) 4.210 6.622 ( -0.063 -13.791 -2.597) 14.034 6.869 ( -5.818 2.801 5.014) 8.175 7.046 ( 2.324 -0.682 -4.745) 5.328 8.248 ( -2.699 0.589 1.504) 3.146 9.682 ( 0.127 2.864 0.851) 2.991 12.627 ( -0.418 -0.465 -0.033) 0.626 13.120 ( 4.495 1.369 -1.123) 4.831 13.781 ( 0.855 3.775 6.132) 7.252 14.409 ( 1.303 3.758 2.063) 4.480 14.864 ( -8.883 -6.446 -5.893) 12.457 16.395 ( 2.885 1.603 0.215) 3.308 ======================= Grid point 107 (45/140) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -0.735 -3.347 5.676) 6.630 0.967 ( 1.652 -1.817 5.285) 5.827 1.062 ( 4.318 -7.415 2.241) 8.869 1.201 ( 1.428 -2.158 -2.379) 3.515 1.293 ( -0.982 -5.005 -0.238) 5.106 1.338 ( -2.679 -3.616 -1.214) 4.661 1.397 ( -0.201 -5.681 -2.628) 6.263 1.545 ( -2.497 1.934 -0.979) 3.306 1.588 ( -6.133 0.207 0.559) 6.162 1.628 ( -4.239 0.001 -1.035) 4.364 1.778 ( 1.661 0.774 0.578) 1.921 1.940 ( 11.936 -6.282 9.717) 16.623 2.013 ( 1.725 -0.862 -1.112) 2.226 2.146 ( -4.884 -1.445 1.914) 5.441 2.193 ( 3.585 -5.030 0.599) 6.206 2.289 ( -2.335 -1.422 0.085) 2.735 2.361 ( 0.144 4.249 -0.803) 4.327 2.626 ( 1.007 0.935 -1.669) 2.162 2.811 ( 0.040 0.306 -4.202) 4.214 2.937 ( 0.485 -3.401 -0.634) 3.493 3.351 ( -1.495 -7.792 2.222) 8.240 3.442 ( -1.439 -10.004 -1.686) 10.247 3.611 ( -0.569 -10.727 0.605) 10.759 3.652 ( -0.295 0.238 0.619) 0.726 3.894 ( -1.565 -1.522 2.110) 3.036 3.924 ( -4.552 -11.232 -3.440) 12.598 4.092 ( 3.081 -2.354 5.327) 6.589 4.229 ( -3.634 -7.702 -2.983) 9.024 4.516 ( -2.753 -7.343 -6.567) 10.229 4.880 ( -5.244 -11.427 4.123) 13.232 5.052 ( -7.021 -1.772 1.289) 7.355 5.369 ( 4.411 -0.186 10.541) 11.428 5.403 ( -2.324 -0.283 1.184) 2.624 5.678 ( 2.759 -9.924 1.107) 10.359 5.830 ( 7.272 -7.931 -7.714) 13.240 6.031 ( -1.526 -2.319 -4.502) 5.289 6.385 ( 2.585 5.581 0.548) 6.175 6.782 ( 0.448 0.864 -4.314) 4.423 6.939 ( -0.078 -11.614 3.488) 12.127 7.093 ( -0.230 -7.306 -1.689) 7.502 8.213 ( -2.411 1.253 1.267) 2.998 9.615 ( 0.081 4.321 0.917) 4.418 12.635 ( -0.333 -0.765 -0.038) 0.835 13.116 ( 3.556 2.485 -0.830) 4.417 13.702 ( -1.199 5.309 5.536) 7.764 14.336 ( 5.260 7.090 1.196) 8.909 14.942 ( -10.030 -10.911 -3.982) 15.346 16.378 ( 2.740 2.734 0.257) 3.880 ======================= Grid point 108 (46/140) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -2.186 -0.182 6.266) 6.639 1.052 ( -0.083 -4.187 2.386) 4.820 1.192 ( 2.959 -4.225 0.959) 5.247 1.278 ( 1.904 -2.789 -0.090) 3.378 1.308 ( -3.905 2.451 1.395) 4.817 1.366 ( -0.582 -3.465 0.680) 3.578 1.471 ( 1.237 3.552 -0.005) 3.761 1.506 ( -1.393 2.218 1.691) 3.117 1.538 ( 0.918 -6.087 -1.730) 6.395 1.630 ( -3.879 -2.714 -3.423) 5.842 1.736 ( -1.968 2.295 -0.017) 3.023 2.015 ( 0.222 0.865 -1.834) 2.040 2.116 ( -1.133 -0.694 0.261) 1.354 2.143 ( 4.784 -1.262 6.966) 8.544 2.277 ( -2.230 -2.826 2.438) 4.348 2.290 ( 4.774 -0.746 -2.870) 5.620 2.404 ( 2.403 -4.236 1.641) 5.139 2.620 ( -1.527 -0.417 -1.504) 2.184 2.793 ( 0.923 0.715 -4.275) 4.432 2.991 ( 0.040 -2.298 -0.680) 2.397 3.440 ( -2.036 -3.599 1.260) 4.323 3.626 ( -0.517 -1.832 0.490) 1.966 3.643 ( 0.962 -8.081 -0.683) 8.167 3.797 ( -0.607 -7.847 1.412) 7.996 3.906 ( -2.727 -1.590 2.768) 4.198 4.039 ( -0.379 -3.476 -2.170) 4.116 4.208 ( -5.379 -6.785 -1.466) 8.782 4.399 ( 5.554 -12.731 0.435) 13.897 4.648 ( -0.097 -7.996 -5.422) 9.662 4.987 ( -6.488 -4.020 4.881) 9.059 5.084 ( -3.718 -5.916 2.536) 7.433 5.399 ( -2.523 -1.279 0.739) 2.923 5.429 ( 2.593 -0.527 11.448) 11.749 5.859 ( 1.816 -5.643 0.419) 5.942 5.979 ( -5.297 -4.157 -4.707) 8.215 6.099 ( 7.304 -7.340 -8.805) 13.592 6.321 ( 4.026 3.517 4.145) 6.764 6.774 ( 2.486 0.089 -7.420) 7.826 7.004 ( -1.934 -0.631 -2.779) 3.445 7.346 ( -0.789 -13.641 5.817) 14.851 8.174 ( -1.229 1.181 1.115) 2.036 9.538 ( -0.083 3.924 0.977) 4.045 12.648 ( -0.213 -0.790 0.007) 0.818 13.084 ( 1.651 2.971 -0.515) 3.438 13.608 ( -0.928 4.491 4.166) 6.196 14.240 ( 4.344 7.609 0.652) 8.786 15.077 ( -7.197 -11.686 -2.068) 13.880 16.343 ( 2.151 3.093 0.204) 3.773 ======================= Grid point 109 (47/140) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -1.114 -1.311 6.843) 7.056 1.115 ( -1.412 -3.112 -0.354) 3.436 1.157 ( -4.213 7.046 2.317) 8.531 1.221 ( 0.648 6.028 6.952) 9.224 1.351 ( 1.418 -2.390 0.036) 2.779 1.416 ( -1.074 -3.496 1.013) 3.795 1.451 ( -1.127 0.969 -1.822) 2.352 1.521 ( 6.166 -4.091 -0.015) 7.400 1.629 ( 0.934 -1.178 -1.498) 2.122 1.675 ( 0.717 -4.232 -2.359) 4.897 1.693 ( -2.479 -1.209 0.399) 2.786 1.979 ( -0.781 2.102 -2.750) 3.548 2.087 ( -1.411 1.884 0.901) 2.520 2.160 ( 1.946 2.632 -0.490) 3.310 2.308 ( -2.214 -1.435 3.897) 4.706 2.368 ( 4.170 -1.851 0.624) 4.605 2.472 ( 2.167 -0.277 2.045) 2.993 2.590 ( -3.843 0.766 -1.332) 4.139 2.803 ( 1.598 -1.474 -4.195) 4.724 3.017 ( -0.170 -0.654 -0.870) 1.101 3.462 ( -1.378 -0.708 0.662) 1.684 3.656 ( -0.318 -2.281 1.261) 2.626 3.787 ( 1.845 -4.799 -0.709) 5.190 3.898 ( -0.397 -3.245 1.135) 3.461 3.915 ( -3.030 -1.275 2.137) 3.921 4.074 ( 0.669 -0.609 -0.747) 1.173 4.251 ( -3.089 -2.820 -1.678) 4.507 4.700 ( 9.666 -10.334 -4.795) 14.941 4.749 ( 0.392 -3.164 -4.701) 5.680 4.998 ( -4.092 -1.361 3.646) 5.647 5.162 ( -3.591 -4.601 5.687) 8.149 5.420 ( -4.387 -3.984 2.769) 6.541 5.465 ( 1.689 1.146 11.065) 11.252 5.866 ( -1.090 5.244 2.071) 5.743 5.949 ( -5.638 -0.678 -5.806) 8.121 6.259 ( 2.031 -2.980 -6.165) 7.142 6.390 ( 10.105 -4.671 2.071) 11.324 6.766 ( 3.432 2.420 -7.578) 8.663 6.983 ( -3.463 -0.813 -3.670) 5.111 7.502 ( -2.934 -2.598 5.872) 7.060 8.172 ( 0.501 -1.254 1.527) 2.038 9.484 ( -0.262 1.643 0.954) 1.918 12.659 ( -0.103 -0.444 0.073) 0.462 13.038 ( 0.107 2.440 -0.316) 2.463 13.546 ( -0.264 2.450 3.245) 4.074 14.142 ( 1.012 4.944 1.245) 5.198 15.233 ( -2.396 -9.205 -1.693) 9.661 16.303 ( 1.110 2.565 0.041) 2.795 ======================= Grid point 110 (48/140) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 0.463 -1.762 7.164) 7.392 0.983 ( -1.863 9.268 4.898) 10.647 1.077 ( 0.255 7.237 6.587) 9.789 1.179 ( 0.813 -1.265 0.267) 1.527 1.357 ( -1.098 0.819 -0.595) 1.494 1.457 ( 0.698 -0.910 -1.732) 2.077 1.491 ( -0.561 -4.177 0.295) 4.224 1.581 ( 0.570 -0.302 -0.144) 0.661 1.660 ( -1.135 -2.132 -1.827) 3.028 1.741 ( 1.603 -1.297 -0.421) 2.104 1.782 ( 4.214 -6.950 0.784) 8.166 1.921 ( -0.289 2.829 -2.122) 3.548 2.000 ( -1.715 6.559 -0.481) 6.796 2.118 ( -0.141 2.150 -1.152) 2.443 2.298 ( -1.011 1.795 4.312) 4.779 2.380 ( 1.229 3.164 1.051) 3.553 2.479 ( -0.720 -0.213 2.981) 3.074 2.557 ( -1.774 -0.230 -2.214) 2.846 2.832 ( 0.550 -1.198 -4.546) 4.733 3.009 ( -0.092 1.133 -1.011) 1.521 3.468 ( -0.060 -0.567 0.849) 1.023 3.685 ( -0.772 -0.612 0.954) 1.371 3.846 ( 1.660 -0.206 -1.021) 1.960 3.899 ( -4.947 0.245 1.562) 5.194 3.919 ( 1.073 1.518 0.805) 2.026 4.068 ( -0.086 1.345 -0.600) 1.476 4.261 ( 1.856 0.973 -1.203) 2.416 4.737 ( -0.371 3.598 -4.669) 5.906 4.843 ( 6.282 0.855 -9.362) 11.307 4.981 ( -1.615 1.707 2.945) 3.768 5.230 ( 0.345 -2.497 6.169) 6.664 5.446 ( -2.954 0.468 4.735) 5.600 5.517 ( -0.812 -5.631 12.006) 13.285 5.723 ( -2.477 7.474 1.348) 7.988 5.881 ( -2.475 3.012 -6.562) 7.633 6.235 ( -2.523 3.706 -2.362) 5.067 6.550 ( 8.513 -0.522 1.751) 8.707 6.710 ( 2.447 2.674 -6.584) 7.516 6.972 ( -1.620 -1.052 -5.945) 6.251 7.429 ( -2.617 8.085 4.726) 9.724 8.222 ( 0.222 -2.704 2.194) 3.489 9.482 ( -0.358 -1.530 0.806) 1.766 12.661 ( -0.037 0.133 0.094) 0.167 13.004 ( -0.051 0.976 -0.205) 0.999 13.522 ( -0.733 0.546 2.835) 2.979 14.098 ( -0.614 0.087 2.987) 3.051 15.352 ( 0.660 -4.314 -2.822) 5.197 16.272 ( 0.017 1.061 -0.118) 1.068 ======================= Grid point 111 (49/140) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 1.492 9.832 7.549) 12.485 0.892 ( 6.238 5.857 10.155) 13.280 0.997 ( -2.184 -0.034 4.315) 4.836 1.208 ( 0.019 -1.378 -2.242) 2.631 1.331 ( -0.223 1.079 -1.290) 1.697 1.457 ( 0.717 1.022 -1.883) 2.260 1.518 ( -1.824 0.377 0.301) 1.886 1.612 ( -0.650 -0.295 0.174) 0.735 1.645 ( 0.968 8.690 3.053) 9.262 1.717 ( 1.910 -1.045 -1.716) 2.772 1.847 ( -2.421 3.080 -0.939) 4.028 1.873 ( -2.082 -0.014 -2.159) 3.000 1.946 ( 1.789 1.573 3.405) 4.156 2.087 ( 1.400 -3.075 -0.863) 3.487 2.267 ( 1.702 2.714 3.217) 4.540 2.321 ( -2.078 1.890 0.363) 2.833 2.467 ( -3.707 0.720 3.027) 4.840 2.552 ( 0.168 -0.619 -2.733) 2.808 2.836 ( 0.705 0.088 -4.748) 4.801 2.973 ( 0.160 2.531 -0.854) 2.676 3.477 ( -0.691 -0.108 1.039) 1.252 3.662 ( -1.041 2.696 0.767) 2.990 3.782 ( -0.724 8.888 -0.054) 8.918 3.815 ( -3.017 3.997 -0.791) 5.070 3.902 ( 0.355 0.875 1.207) 1.532 4.024 ( 0.652 3.468 -0.972) 3.660 4.234 ( 1.538 3.203 -2.315) 4.241 4.595 ( -1.732 9.250 -5.326) 10.813 4.779 ( 2.510 6.618 -7.955) 10.648 4.914 ( 1.174 5.724 3.949) 7.052 5.256 ( -0.325 1.517 6.752) 6.928 5.417 ( 1.801 2.048 -0.394) 2.756 5.527 ( -8.936 3.850 9.038) 13.280 5.681 ( 4.093 -1.149 -1.026) 4.373 5.792 ( 1.075 3.461 -3.786) 5.241 6.083 ( -5.446 8.327 -1.466) 10.057 6.501 ( -0.840 5.362 3.342) 6.374 6.761 ( 6.171 -2.710 -2.341) 7.135 6.955 ( -0.323 1.048 -8.000) 8.075 7.221 ( 0.423 13.009 3.471) 13.471 8.267 ( -1.127 -1.935 2.339) 3.238 9.533 ( -0.344 -3.808 0.601) 3.870 12.655 ( 0.008 0.518 0.028) 0.519 13.002 ( 0.601 -0.476 -0.120) 0.776 13.526 ( -0.157 -1.013 2.586) 2.782 14.147 ( -0.947 -4.881 6.316) 8.039 15.372 ( 0.142 1.938 -5.894) 6.206 16.270 ( -0.153 -1.011 -0.024) 1.023 ======================= Grid point 115 (50/140) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 3.608 0.000 8.755) 9.469 0.736 ( 9.235 0.000 6.517) 11.303 0.971 ( 0.237 0.000 5.572) 5.577 1.109 ( 2.722 0.000 -4.354) 5.135 1.145 ( -4.903 -0.000 1.245) 5.058 1.224 ( -0.700 -0.000 -5.025) 5.073 1.317 ( -2.667 -0.000 -2.916) 3.951 1.526 ( -4.581 -0.000 -1.556) 4.838 1.562 ( -3.583 -0.000 -0.219) 3.590 1.679 ( -4.107 -0.000 0.294) 4.118 1.726 ( -1.907 -0.000 0.658) 2.018 1.797 ( 17.914 0.000 9.213) 20.144 2.011 ( -1.703 -0.000 -0.577) 1.798 2.012 ( 1.791 0.000 0.299) 1.815 2.107 ( 3.249 0.000 3.549) 4.812 2.295 ( -4.025 -0.000 -1.977) 4.485 2.527 ( -4.955 -0.000 2.342) 5.480 2.688 ( 0.878 0.000 -2.258) 2.423 2.821 ( -0.578 -0.000 -4.064) 4.105 2.828 ( 0.463 0.000 -0.471) 0.661 3.070 ( 0.068 0.000 0.264) 0.272 3.274 ( -1.545 -0.000 0.030) 1.545 3.333 ( -0.914 -0.000 0.689) 1.144 3.602 ( 0.328 0.000 0.116) 0.348 3.757 ( -2.894 -0.000 -1.036) 3.074 3.884 ( -3.211 -0.000 2.843) 4.288 4.026 ( -0.078 -0.000 -0.703) 0.708 4.079 ( 0.896 0.000 2.573) 2.725 4.452 ( -10.751 -0.000 -4.807) 11.777 4.490 ( -0.338 -0.000 0.157) 0.372 5.021 ( -6.469 -0.000 -3.604) 7.405 5.387 ( 1.196 0.000 -3.891) 4.071 5.407 ( 3.662 0.000 -0.021) 3.662 5.423 ( 1.578 0.000 12.003) 12.106 5.707 ( 8.206 0.000 -4.556) 9.385 6.067 ( 1.557 0.000 8.468) 8.610 6.408 ( -1.543 -0.000 0.085) 1.546 6.491 ( 1.512 0.000 -10.855) 10.960 6.868 ( -3.969 -0.000 3.668) 5.404 7.050 ( 1.379 0.000 -3.547) 3.806 8.236 ( -2.351 -0.000 1.472) 2.774 9.712 ( 0.072 0.000 0.886) 0.889 12.619 ( -0.377 -0.000 0.012) 0.377 13.172 ( 5.063 0.000 -1.576) 5.303 13.821 ( -3.147 -0.000 7.777) 8.389 14.439 ( 0.214 0.000 -0.005) 0.214 14.748 ( -4.673 -0.000 -5.091) 6.911 16.435 ( 2.761 0.000 0.282) 2.776 ======================= Grid point 116 (51/140) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 4.178 -2.069 7.072) 8.471 0.944 ( 6.737 -10.010 5.579) 13.293 0.975 ( -0.677 0.328 6.275) 6.320 1.144 ( -6.629 -6.020 1.509) 9.081 1.194 ( 1.273 0.262 -3.547) 3.777 1.227 ( 3.338 -6.005 -3.792) 7.847 1.313 ( -0.710 -2.638 -2.008) 3.391 1.507 ( -5.070 -0.964 -1.453) 5.362 1.525 ( -4.562 -1.013 0.460) 4.696 1.647 ( 0.022 1.804 -0.636) 1.913 1.770 ( -0.715 -3.922 0.246) 3.994 1.950 ( 2.381 -2.348 3.540) 4.870 2.000 ( 6.475 -0.906 3.407) 7.372 2.071 ( 0.762 -3.691 0.159) 3.772 2.177 ( 5.794 -2.311 2.947) 6.899 2.245 ( -4.615 0.574 -1.114) 4.782 2.442 ( -3.263 4.650 1.219) 5.810 2.656 ( -0.335 2.248 -3.061) 3.812 2.805 ( -0.104 0.100 -4.133) 4.136 2.872 ( 0.219 -3.444 -0.751) 3.531 3.165 ( -0.314 -9.250 0.450) 9.266 3.305 ( -1.362 -4.038 -0.461) 4.286 3.409 ( -0.614 -8.720 0.959) 8.794 3.648 ( 1.394 -3.182 0.378) 3.494 3.737 ( -3.927 -2.207 -0.667) 4.554 3.865 ( -3.007 -0.433 2.742) 4.092 4.081 ( -1.422 -5.048 -1.526) 5.462 4.100 ( 2.378 -0.925 4.336) 5.031 4.377 ( -3.619 -2.953 -4.089) 6.207 4.621 ( -3.425 -11.486 1.745) 12.113 4.972 ( -5.464 -0.885 -3.653) 6.632 5.373 ( -2.357 -0.284 -1.183) 2.653 5.432 ( 3.342 0.465 6.707) 7.508 5.534 ( 1.928 -6.948 3.258) 7.912 5.784 ( 7.581 -2.471 -4.751) 9.282 6.012 ( -2.783 2.989 0.657) 4.137 6.477 ( 3.710 2.052 -6.360) 7.644 6.617 ( -0.337 -18.393 4.938) 19.047 6.823 ( -1.034 2.555 0.856) 2.886 7.048 ( 0.175 0.088 -3.483) 3.488 8.216 ( -1.670 0.654 1.480) 2.326 9.687 ( 0.017 2.838 0.914) 2.982 12.621 ( -0.269 -0.476 0.014) 0.547 13.189 ( 4.136 1.968 -1.502) 4.820 13.772 ( -4.418 3.076 7.218) 9.004 14.468 ( 5.147 -0.392 -0.155) 5.165 14.711 ( -7.139 -2.361 -4.132) 8.580 16.441 ( 2.234 1.619 0.384) 2.786 ======================= Grid point 117 (52/140) ======================= q-point: ( 0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.590 0.333 6.113) 6.150 0.992 ( -1.490 -2.264 4.450) 5.210 1.133 ( 2.746 -4.968 2.449) 6.183 1.219 ( -0.339 -5.497 0.175) 5.511 1.243 ( -1.028 -4.964 -0.177) 5.073 1.343 ( 1.455 -0.704 -1.100) 1.955 1.395 ( 1.079 -7.124 -1.579) 7.377 1.504 ( 0.075 -1.536 1.629) 2.240 1.515 ( -4.238 -2.464 -1.077) 5.019 1.604 ( 1.949 3.555 -1.024) 4.182 1.780 ( -1.066 2.548 2.600) 3.793 1.972 ( -4.209 -3.220 -1.452) 5.495 2.116 ( 1.381 -0.838 -0.375) 1.659 2.130 ( 1.627 -3.452 2.802) 4.734 2.228 ( 0.444 -1.142 3.584) 3.788 2.290 ( 2.707 -3.971 -0.618) 4.846 2.368 ( 1.504 0.398 1.334) 2.050 2.604 ( -2.339 1.262 -3.153) 4.124 2.797 ( 0.407 0.039 -4.422) 4.441 2.935 ( -0.183 -3.306 -0.704) 3.385 3.334 ( -1.403 -6.816 1.501) 7.119 3.433 ( 0.956 -11.426 -1.478) 11.561 3.598 ( -1.085 -9.380 0.447) 9.453 3.663 ( 0.681 0.050 2.175) 2.280 3.844 ( -3.068 -6.217 0.408) 6.945 3.884 ( -0.207 -7.034 -0.544) 7.059 4.094 ( -3.539 -1.913 -0.572) 4.063 4.251 ( 5.320 -8.429 6.833) 12.085 4.475 ( 0.582 -8.550 -5.399) 10.129 4.816 ( -3.639 -10.799 3.584) 11.946 4.958 ( -4.628 -3.229 -2.695) 6.254 5.358 ( -3.037 -0.623 0.063) 3.101 5.463 ( 1.499 -0.092 8.682) 8.811 5.713 ( 0.232 -9.840 1.729) 9.994 5.878 ( 1.039 -3.012 -4.341) 5.385 6.003 ( 2.104 -4.830 -6.405) 8.294 6.430 ( 1.851 4.574 -0.669) 4.980 6.793 ( 3.496 0.749 -3.812) 5.227 6.952 ( -0.416 -8.920 4.693) 10.088 7.074 ( -1.186 -9.855 -0.770) 9.956 8.192 ( -0.557 1.173 1.545) 2.018 9.619 ( -0.103 4.361 0.946) 4.464 12.631 ( -0.111 -0.792 0.030) 0.800 13.160 ( 1.941 3.480 -1.094) 4.132 13.684 ( -2.913 4.085 5.624) 7.536 14.442 ( 5.640 8.970 -1.358) 10.682 14.783 ( -6.249 -12.724 -1.443) 14.249 16.414 ( 1.295 2.792 0.361) 3.099 ======================= Grid point 118 (53/140) ======================= q-point: (-0.33 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.622 0.273 6.164) 6.201 1.041 ( -2.064 -3.512 2.158) 4.610 1.226 ( 0.444 -1.488 1.438) 2.116 1.276 ( 0.598 1.058 1.835) 2.201 1.324 ( 1.164 -3.480 0.301) 3.682 1.335 ( -1.549 -2.512 0.473) 2.989 1.475 ( -1.944 2.101 1.521) 3.242 1.536 ( 3.180 -0.379 -0.536) 3.247 1.559 ( 1.356 -5.476 -0.150) 5.644 1.605 ( 3.297 -1.985 -2.283) 4.474 1.719 ( -0.181 2.799 3.370) 4.385 1.976 ( -2.386 -0.420 -2.810) 3.710 2.107 ( -0.921 1.117 -0.723) 1.618 2.178 ( -3.400 -2.372 0.843) 4.230 2.252 ( -0.851 -0.800 1.867) 2.203 2.364 ( 3.814 -2.327 2.129) 4.949 2.458 ( 1.759 -4.299 1.381) 4.846 2.560 ( -3.348 0.350 -2.420) 4.146 2.791 ( 0.762 0.088 -4.616) 4.679 2.984 ( -0.281 -2.273 -0.808) 2.429 3.420 ( -0.597 -3.555 0.798) 3.692 3.630 ( 0.724 -0.505 0.968) 1.310 3.662 ( 1.695 -9.901 -1.047) 10.100 3.784 ( -2.232 -7.196 2.617) 7.976 3.878 ( -1.018 -2.088 1.436) 2.731 4.042 ( 1.010 -4.002 -2.473) 4.811 4.143 ( -0.091 -6.635 0.016) 6.636 4.524 ( 7.064 -13.403 5.729) 16.198 4.631 ( 0.178 -8.237 -6.461) 10.470 4.930 ( -2.267 -3.824 1.924) 4.844 5.026 ( -4.140 -7.294 2.655) 8.797 5.347 ( -3.711 -1.111 1.554) 4.173 5.496 ( 0.449 -0.687 8.269) 8.310 5.857 ( -1.713 -5.201 -2.603) 6.063 5.907 ( -0.058 -0.969 -1.482) 1.771 6.140 ( -0.718 -6.977 -7.904) 10.568 6.387 ( 2.525 -0.568 2.766) 3.788 6.830 ( 8.199 0.296 -6.416) 10.415 6.953 ( -3.089 0.969 -2.186) 3.906 7.346 ( -1.838 -12.938 5.872) 14.326 8.176 ( 0.600 0.739 1.754) 1.995 9.539 ( -0.238 3.997 0.953) 4.116 12.646 ( 0.052 -0.801 0.070) 0.806 13.097 ( 0.080 3.690 -0.687) 3.754 13.606 ( -1.109 3.585 4.274) 5.687 14.279 ( -0.855 8.986 -0.539) 9.043 15.012 ( 1.109 -12.964 -1.006) 13.050 16.363 ( 0.004 3.203 0.198) 3.210 ======================= Grid point 119 (54/140) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -0.691 -1.728 6.168) 6.443 1.087 ( -1.749 -1.900 1.857) 3.180 1.157 ( 2.601 6.564 1.783) 7.282 1.271 ( 1.243 3.379 5.112) 6.252 1.377 ( 0.994 0.670 0.645) 1.361 1.396 ( -1.199 -4.471 0.319) 4.640 1.415 ( -1.517 -0.712 -0.061) 1.677 1.572 ( -1.085 -1.773 0.776) 2.218 1.635 ( 1.604 0.564 -2.447) 2.980 1.684 ( 0.704 -6.090 -0.018) 6.130 1.730 ( 5.659 -1.417 0.566) 5.861 1.947 ( -0.530 1.140 -2.705) 2.983 2.066 ( -2.422 1.784 0.225) 3.016 2.157 ( -1.413 2.400 -1.542) 3.184 2.276 ( -2.571 -2.524 1.964) 4.104 2.419 ( 0.725 -0.287 2.167) 2.302 2.487 ( -4.596 0.385 4.455) 6.413 2.547 ( 2.619 -0.096 -3.521) 4.389 2.794 ( 0.032 -1.202 -4.858) 5.004 3.009 ( -0.179 -0.721 -1.035) 1.273 3.464 ( 1.174 -1.054 0.723) 1.736 3.656 ( -0.166 -1.523 1.231) 1.965 3.813 ( 1.400 -4.674 -1.274) 5.043 3.846 ( -3.426 -2.235 1.709) 4.433 3.924 ( 0.876 -1.883 1.258) 2.428 4.071 ( -0.562 -0.536 0.413) 0.880 4.272 ( 5.566 -3.293 -2.106) 6.802 4.723 ( -1.852 -3.288 -5.025) 6.284 4.807 ( 5.188 -8.138 -4.981) 10.860 4.973 ( -0.497 -1.998 3.393) 3.969 5.144 ( -2.089 -7.250 9.867) 12.421 5.346 ( -4.927 -1.860 4.085) 6.665 5.533 ( 1.910 -1.193 7.052) 7.403 5.844 ( -2.887 6.668 1.514) 7.422 5.891 ( 1.895 -0.153 -7.150) 7.398 6.185 ( -6.558 -3.771 -4.866) 8.995 6.511 ( 2.259 -6.709 2.372) 7.466 6.817 ( 3.318 5.585 -6.030) 8.864 6.948 ( 3.633 -1.522 -5.376) 6.665 7.484 ( -1.660 -2.112 5.708) 6.309 8.188 ( 0.262 -1.155 2.057) 2.373 9.483 ( -0.296 1.714 0.906) 1.961 12.659 ( 0.136 -0.405 0.092) 0.437 13.036 ( -0.133 2.436 -0.381) 2.470 13.548 ( -1.170 2.441 3.332) 4.293 14.133 ( -2.547 4.475 0.965) 5.239 15.240 ( 3.941 -8.832 -1.490) 9.786 16.303 ( -1.208 2.588 0.014) 2.856 ======================= Grid point 120 (55/140) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -1.965 -2.961 5.467) 6.521 1.017 ( 2.689 8.237 5.414) 10.217 1.120 ( 2.835 3.051 1.946) 4.597 1.223 ( 2.898 3.434 3.699) 5.820 1.340 ( -0.650 1.026 0.023) 1.215 1.444 ( -1.562 -1.874 -0.756) 2.554 1.474 ( -1.336 -4.106 -0.592) 4.358 1.601 ( 1.384 1.233 -0.426) 1.902 1.612 ( -3.435 -2.787 -0.093) 4.424 1.771 ( 1.658 -1.741 1.052) 2.624 1.810 ( -0.600 -2.564 -4.168) 4.930 1.942 ( 3.128 0.803 0.692) 3.303 1.993 ( -0.373 4.078 1.499) 4.361 2.083 ( -1.055 2.744 -2.554) 3.895 2.293 ( -1.789 -0.560 2.178) 2.873 2.375 ( -2.680 3.486 2.580) 5.098 2.458 ( -2.790 0.849 3.678) 4.694 2.557 ( 2.885 0.680 -3.113) 4.299 2.811 ( -0.303 -1.635 -4.884) 5.160 3.004 ( 0.140 0.918 -1.037) 1.392 3.487 ( 1.511 0.176 1.023) 1.833 3.671 ( -1.304 -0.284 0.963) 1.646 3.822 ( -4.096 1.232 0.456) 4.301 3.866 ( 1.131 0.480 -1.395) 1.859 3.938 ( 0.627 1.376 1.398) 2.059 4.067 ( 0.015 0.786 1.547) 1.735 4.321 ( 5.527 2.733 -4.033) 7.368 4.686 ( -3.750 3.397 -6.275) 8.060 4.859 ( 0.795 2.150 -7.427) 7.773 5.006 ( 2.891 1.130 5.791) 6.570 5.262 ( -2.489 -3.148 9.718) 10.514 5.347 ( -6.700 -2.115 7.130) 10.010 5.613 ( 1.747 2.219 7.719) 8.220 5.683 ( -0.366 1.545 -1.969) 2.530 5.874 ( 5.134 3.444 -7.580) 9.781 6.145 ( -5.112 2.522 -1.761) 5.966 6.569 ( -7.438 1.331 3.752) 8.436 6.747 ( 4.278 0.873 -6.711) 8.006 6.993 ( 6.850 0.653 -7.885) 10.466 7.435 ( 0.752 7.492 5.335) 9.228 8.221 ( -1.492 -2.126 2.136) 3.363 9.480 ( -0.249 -1.474 0.809) 1.700 12.662 ( 0.105 0.202 0.033) 0.230 13.009 ( 0.708 0.628 -0.156) 0.959 13.517 ( -1.000 0.133 2.733) 2.913 14.089 ( -1.638 -1.093 3.057) 3.636 15.370 ( 2.237 -2.176 -2.920) 4.274 16.260 ( -1.157 0.539 0.033) 1.277 ======================= Grid point 125 (56/140) ======================= q-point: ( 0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 4.995 0.000 8.161) 9.568 0.903 ( 7.736 0.000 5.723) 9.623 0.979 ( -3.360 -0.000 7.838) 8.528 1.004 ( -9.334 -0.000 2.438) 9.647 1.204 ( 6.846 0.000 -3.595) 7.733 1.217 ( 1.995 0.000 -2.842) 3.473 1.279 ( 0.163 0.000 -2.130) 2.136 1.453 ( -3.296 -0.000 -0.827) 3.398 1.488 ( -3.477 -0.000 1.040) 3.629 1.669 ( 1.431 0.000 -2.109) 2.549 1.684 ( -2.614 -0.000 -2.540) 3.644 1.922 ( -4.170 -0.000 1.833) 4.555 2.042 ( 1.237 0.000 1.678) 2.085 2.073 ( 5.488 0.000 2.022) 5.848 2.185 ( 1.572 0.000 1.358) 2.077 2.239 ( 1.146 0.000 2.448) 2.703 2.464 ( -2.995 -0.000 2.215) 3.725 2.669 ( -1.617 -0.000 -5.341) 5.581 2.796 ( -0.099 -0.000 -4.261) 4.262 2.833 ( 0.334 0.000 -0.399) 0.521 3.071 ( -0.189 -0.000 0.058) 0.198 3.257 ( -0.042 -0.000 -0.473) 0.475 3.321 ( -1.079 -0.000 1.185) 1.602 3.604 ( -0.008 -0.000 0.016) 0.017 3.721 ( -0.788 -0.000 0.977) 1.255 3.842 ( -2.874 -0.000 2.347) 3.710 4.025 ( 0.283 0.000 -0.718) 0.772 4.102 ( -1.066 -0.000 1.293) 1.676 4.338 ( 0.398 0.000 2.005) 2.044 4.486 ( -0.212 -0.000 0.169) 0.271 4.914 ( -4.370 -0.000 -6.741) 8.034 5.348 ( -2.818 -0.000 0.131) 2.821 5.451 ( 1.463 0.000 -0.051) 1.464 5.499 ( 1.089 0.000 3.778) 3.932 5.816 ( 6.703 0.000 -3.886) 7.747 6.055 ( -6.284 -0.000 7.868) 10.069 6.389 ( -0.680 -0.000 0.088) 0.686 6.527 ( 6.652 0.000 -4.458) 8.007 6.848 ( -0.174 -0.000 0.848) 0.866 7.048 ( 0.158 0.000 -2.412) 2.417 8.216 ( -0.686 -0.000 1.719) 1.851 9.716 ( -0.100 -0.000 0.902) 0.907 12.614 ( -0.137 -0.000 0.038) 0.143 13.237 ( 3.127 0.000 -1.900) 3.659 13.775 ( -4.837 -0.000 7.456) 8.888 14.441 ( 0.073 0.000 -0.031) 0.080 14.694 ( -0.003 -0.000 -4.260) 4.260 16.472 ( 1.436 0.000 0.585) 1.551 ======================= Grid point 126 (57/140) ======================= q-point: (-0.44 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 2.197 0.233 4.965) 5.435 0.952 ( -5.262 -0.997 7.467) 9.189 1.015 ( -6.783 -6.925 3.386) 10.268 1.085 ( 4.970 -8.396 4.488) 10.739 1.209 ( 2.738 0.526 -1.523) 3.177 1.294 ( 3.950 -3.648 -2.049) 5.754 1.328 ( 3.660 -3.875 -1.117) 5.446 1.440 ( -2.189 -0.628 -0.934) 2.461 1.487 ( 0.514 -1.685 1.493) 2.309 1.659 ( 0.975 1.086 -2.555) 2.943 1.748 ( -1.647 -6.508 -1.617) 6.905 1.888 ( -3.847 0.310 1.759) 4.241 2.064 ( -6.470 -1.596 -1.977) 6.951 2.089 ( 0.425 -2.561 0.763) 2.706 2.240 ( 4.831 -1.578 3.785) 6.337 2.252 ( -0.342 -0.079 4.001) 4.017 2.421 ( 0.874 2.940 1.556) 3.439 2.615 ( -1.658 2.217 -5.479) 6.139 2.788 ( 0.400 -0.101 -4.774) 4.791 2.871 ( 0.114 -3.175 -0.670) 3.248 3.160 ( -0.479 -9.055 0.260) 9.072 3.299 ( 0.890 -4.075 -0.514) 4.203 3.400 ( -0.864 -8.805 1.015) 8.905 3.669 ( -0.894 -6.678 -0.224) 6.742 3.707 ( 2.376 1.509 1.552) 3.215 3.833 ( -1.699 -0.931 1.827) 2.663 4.044 ( -1.265 -1.174 -0.112) 1.729 4.152 ( 1.381 -6.767 2.783) 7.446 4.389 ( 5.726 -2.172 1.018) 6.208 4.591 ( -1.209 -10.061 1.526) 10.248 4.873 ( -4.443 -1.155 -6.839) 8.237 5.327 ( -2.942 -0.189 0.990) 3.110 5.478 ( 0.270 -0.617 1.704) 1.832 5.551 ( -1.556 -6.308 2.394) 6.924 5.872 ( 5.017 -0.803 -3.051) 5.926 5.951 ( -4.237 1.941 -0.358) 4.674 6.487 ( -0.058 -1.393 -2.798) 3.126 6.671 ( 3.965 -14.189 5.920) 15.877 6.838 ( 2.185 0.895 -0.545) 2.423 7.032 ( -0.235 1.161 -3.007) 3.232 8.212 ( 0.419 0.642 1.925) 2.072 9.689 ( -0.198 2.824 0.917) 2.976 12.619 ( 0.030 -0.489 0.046) 0.492 13.226 ( 0.624 2.406 -1.677) 2.998 13.734 ( -2.403 2.449 6.712) 7.538 14.534 ( -1.144 -9.254 -0.346) 9.331 14.626 ( 2.252 6.609 -3.340) 7.740 16.465 ( 0.340 1.725 0.630) 1.868 ======================= Grid point 127 (58/140) ======================= q-point: (-0.33 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.548 1.696 3.869) 4.259 0.960 ( -4.384 -2.844 6.536) 8.368 1.112 ( -5.034 -7.960 0.668) 9.441 1.238 ( 2.018 -3.472 1.904) 4.444 1.279 ( 3.771 -4.098 0.661) 5.608 1.369 ( 3.268 2.532 -0.938) 4.239 1.415 ( 1.000 -7.048 -0.829) 7.167 1.458 ( -1.552 -2.511 1.010) 3.120 1.561 ( 4.868 -2.353 1.359) 5.575 1.641 ( 1.761 0.997 -3.036) 3.648 1.788 ( 1.092 2.610 4.859) 5.623 1.889 ( -5.674 -4.800 -1.902) 7.672 2.065 ( -5.404 -4.480 -1.566) 7.192 2.105 ( -2.627 0.493 -0.542) 2.727 2.253 ( -1.707 -0.386 2.961) 3.439 2.318 ( -0.508 -3.911 3.193) 5.074 2.413 ( 2.269 -0.259 2.085) 3.092 2.560 ( 0.280 1.466 -5.233) 5.441 2.789 ( 1.032 -0.235 -4.972) 5.084 2.931 ( 0.041 -3.132 -0.755) 3.222 3.322 ( -0.412 -6.875 0.871) 6.943 3.454 ( 2.036 -11.736 -0.752) 11.935 3.588 ( -0.445 -9.757 0.969) 9.816 3.681 ( 0.383 0.504 2.024) 2.121 3.823 ( 0.206 -3.984 0.495) 4.020 3.903 ( 2.596 -9.239 -1.176) 9.669 4.067 ( 0.761 -2.136 2.599) 3.449 4.363 ( 3.492 -11.965 5.025) 13.439 4.495 ( 4.941 -4.465 -3.867) 7.701 4.793 ( -1.107 -10.892 3.567) 11.515 4.869 ( -4.431 -4.063 -4.016) 7.230 5.311 ( -2.916 -0.431 2.212) 3.685 5.491 ( -0.669 -0.867 3.964) 4.113 5.693 ( -2.940 -9.420 0.349) 9.875 5.883 ( 2.366 -0.700 -2.964) 3.857 5.992 ( -1.757 -5.932 -6.494) 8.969 6.440 ( -0.075 4.055 1.493) 4.322 6.868 ( 5.335 -1.633 -3.092) 6.379 6.953 ( 0.073 -1.318 0.305) 1.354 7.062 ( -0.458 -14.139 2.994) 14.460 8.207 ( 1.197 1.138 2.025) 2.613 9.620 ( -0.269 4.371 0.950) 4.481 12.632 ( 0.213 -0.807 0.058) 0.837 13.161 ( -1.370 3.609 -1.120) 4.020 13.679 ( -0.097 3.804 5.722) 6.871 14.421 ( -6.992 8.697 -2.026) 11.341 14.803 ( 8.660 -12.319 -0.928) 15.087 16.418 ( -1.049 3.002 0.451) 3.212 ======================= Grid point 128 (59/140) ======================= q-point: (-0.22 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.150 0.732 4.243) 4.308 1.010 ( -3.243 -4.401 4.808) 7.280 1.219 ( -2.578 -6.408 0.203) 6.910 1.279 ( -1.656 -0.413 -0.481) 1.774 1.332 ( 3.869 3.379 -0.066) 5.137 1.368 ( 2.998 -1.987 0.882) 3.703 1.458 ( -1.437 0.078 2.683) 3.044 1.567 ( 0.898 -5.548 0.063) 5.620 1.583 ( 0.631 2.175 2.712) 3.533 1.654 ( 4.149 -0.613 -3.167) 5.256 1.778 ( 4.546 1.141 1.567) 4.942 1.927 ( -3.481 -3.354 -0.222) 4.839 2.047 ( -5.343 0.978 -0.942) 5.513 2.117 ( -2.498 -4.097 -1.345) 4.984 2.246 ( -0.413 0.772 1.484) 1.723 2.369 ( -7.334 -3.953 2.242) 8.628 2.450 ( 0.790 -1.072 3.948) 4.167 2.556 ( 2.998 -0.610 -4.470) 5.417 2.789 ( 1.564 0.406 -4.666) 4.938 2.979 ( 0.024 -2.137 -0.968) 2.346 3.425 ( 0.730 -4.166 0.678) 4.283 3.657 ( 1.568 0.205 1.774) 2.377 3.687 ( 1.616 -9.583 -0.080) 9.719 3.759 ( -1.041 -5.942 1.125) 6.136 3.883 ( 0.785 -3.045 0.989) 3.297 4.043 ( 0.287 -2.792 0.477) 2.847 4.206 ( 6.334 -8.418 -1.306) 10.615 4.582 ( -1.917 -7.416 -8.420) 11.383 4.665 ( 6.539 -10.560 4.682) 13.274 4.912 ( -1.057 -4.514 2.103) 5.091 4.992 ( -1.793 -9.283 6.427) 11.433 5.306 ( -2.506 -0.730 3.783) 4.597 5.520 ( 0.175 -1.858 3.520) 3.984 5.820 ( -1.205 -5.699 -3.380) 6.734 5.932 ( 3.270 -0.028 -1.504) 3.600 6.024 ( -7.334 -4.047 -7.459) 11.216 6.423 ( -0.168 -2.544 3.989) 4.735 6.878 ( -4.102 1.675 -5.253) 6.873 6.970 ( 10.116 -0.462 -4.752) 11.186 7.343 ( -1.508 -12.375 6.796) 14.199 8.198 ( 0.918 1.090 1.888) 2.365 9.538 ( -0.266 4.015 0.968) 4.138 12.650 ( 0.303 -0.768 0.063) 0.828 13.082 ( -1.444 3.065 -0.603) 3.441 13.610 ( -0.621 4.369 4.511) 6.310 14.209 ( -6.175 6.923 -0.439) 9.287 15.101 ( 9.090 -11.115 -1.360) 14.423 16.344 ( -2.278 3.326 0.207) 4.036 ======================= Grid point 129 (60/140) ======================= q-point: (-0.11 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -1.292 -0.857 4.440) 4.702 1.078 ( -1.118 -3.214 4.370) 5.538 1.234 ( 4.335 4.920 0.036) 6.557 1.270 ( -1.396 -0.027 0.171) 1.407 1.344 ( -2.694 -4.009 -1.279) 4.997 1.413 ( 0.298 -0.628 1.962) 2.082 1.429 ( 1.784 3.199 3.272) 4.911 1.523 ( -4.028 0.103 2.339) 4.659 1.655 ( 0.397 -0.966 -1.538) 1.859 1.719 ( 3.895 -2.942 -1.826) 5.212 1.795 ( 2.219 0.354 -2.673) 3.492 1.957 ( 0.727 -1.328 0.881) 1.752 1.992 ( -4.585 0.109 -0.794) 4.654 2.150 ( 1.782 0.760 -0.823) 2.105 2.238 ( -2.372 -1.513 0.410) 2.843 2.362 ( -7.022 -1.492 3.768) 8.108 2.468 ( -0.120 0.416 3.639) 3.665 2.590 ( 3.268 -0.403 -2.851) 4.355 2.783 ( 1.145 0.175 -4.606) 4.749 3.005 ( 0.234 -0.767 -1.103) 1.364 3.490 ( 1.113 -1.741 0.578) 2.146 3.665 ( 0.465 0.330 2.192) 2.265 3.795 ( -1.745 -2.089 1.277) 3.007 3.848 ( 1.906 -3.244 -1.707) 4.132 3.942 ( 0.653 -1.727 1.525) 2.394 4.073 ( 0.039 -0.428 2.420) 2.458 4.371 ( 7.195 -2.954 -5.109) 9.306 4.631 ( -4.849 -2.845 -9.126) 10.719 4.844 ( 1.455 -3.395 -4.400) 5.745 5.018 ( 3.108 -4.244 9.147) 10.552 5.145 ( -4.259 -6.741 11.460) 13.960 5.314 ( -1.506 -1.008 5.597) 5.883 5.600 ( 4.108 -4.843 3.700) 7.350 5.760 ( -6.652 7.347 -1.245) 9.989 5.955 ( 8.244 0.046 -7.279) 10.998 6.074 ( -3.088 -5.041 -3.422) 6.831 6.475 ( -7.823 -3.138 4.150) 9.395 6.801 ( 0.011 2.342 -7.892) 8.232 7.043 ( 7.542 -0.084 -5.992) 9.633 7.495 ( -0.518 -3.192 7.038) 7.746 8.191 ( -0.644 0.041 1.566) 1.694 9.483 ( -0.201 1.725 0.964) 1.986 12.663 ( 0.201 -0.305 0.030) 0.366 13.031 ( -0.319 1.427 -0.198) 1.475 13.536 ( -1.762 2.756 3.169) 4.555 14.087 ( -2.891 2.155 1.473) 3.895 15.324 ( 5.892 -5.665 -1.932) 8.399 16.272 ( -2.163 2.095 0.121) 3.013 ======================= Grid point 135 (61/140) ======================= q-point: (-0.44 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -11.459 -0.000 2.649) 11.761 0.858 ( -3.731 -0.000 2.885) 4.716 0.960 ( -1.367 -0.000 13.263) 13.334 1.047 ( 6.670 0.000 4.289) 7.930 1.258 ( 3.544 0.000 -0.784) 3.630 1.287 ( 2.782 0.000 0.045) 2.782 1.325 ( 5.606 0.000 -0.719) 5.652 1.437 ( 3.026 0.000 -1.515) 3.384 1.476 ( 1.119 0.000 0.816) 1.385 1.624 ( -2.929 -0.000 -4.431) 5.312 1.668 ( -0.831 -0.000 -4.364) 4.443 1.855 ( -7.730 -0.000 1.560) 7.886 1.997 ( -4.733 -0.000 -0.603) 4.771 2.063 ( 0.283 0.000 1.997) 2.017 2.221 ( -4.747 -0.000 3.744) 6.046 2.298 ( 4.271 0.000 4.809) 6.432 2.468 ( 1.910 0.000 1.252) 2.284 2.616 ( -0.876 -0.000 -7.079) 7.133 2.785 ( 1.141 0.000 -5.163) 5.287 2.836 ( 0.184 0.000 -0.308) 0.359 3.064 ( -0.571 -0.000 -0.167) 0.595 3.271 ( 1.924 0.000 -0.495) 1.986 3.307 ( -1.228 -0.000 1.194) 1.713 3.602 ( -0.205 -0.000 -0.044) 0.210 3.751 ( 3.750 0.000 1.498) 4.038 3.816 ( -1.110 -0.000 1.519) 1.882 4.028 ( 0.416 0.000 -0.614) 0.741 4.093 ( 0.905 0.000 3.486) 3.602 4.448 ( 9.081 0.000 2.956) 9.550 4.485 ( 0.037 0.000 0.144) 0.148 4.808 ( -4.993 -0.000 -8.999) 10.291 5.305 ( -2.659 -0.000 1.692) 3.152 5.450 ( -1.508 -0.000 -0.070) 1.510 5.492 ( -2.156 -0.000 0.639) 2.249 5.873 ( 0.612 0.000 -6.370) 6.400 5.983 ( -3.359 -0.000 8.852) 9.468 6.388 ( 0.631 0.000 0.087) 0.637 6.640 ( 6.663 0.000 1.025) 6.742 6.852 ( 0.236 0.000 -1.672) 1.688 7.048 ( 1.367 0.000 -1.416) 1.969 8.230 ( 1.408 0.000 2.228) 2.636 9.716 ( -0.286 -0.000 0.906) 0.950 12.615 ( 0.166 0.000 0.051) 0.174 13.241 ( -1.840 -0.000 -1.908) 2.651 13.764 ( 0.656 0.000 7.622) 7.650 14.441 ( -0.103 -0.000 -0.044) 0.112 14.696 ( 1.813 0.000 -4.436) 4.793 16.482 ( -0.642 -0.000 0.811) 1.034 ======================= Grid point 136 (62/140) ======================= q-point: (-0.33 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -7.615 -3.308 2.811) 8.765 0.873 ( -7.901 -8.729 1.654) 11.890 0.969 ( 0.804 1.766 11.033) 11.202 1.196 ( 5.113 -7.124 4.702) 9.950 1.256 ( 3.012 1.001 -0.951) 3.313 1.339 ( 0.856 -3.026 1.020) 3.306 1.384 ( 3.879 -2.102 0.194) 4.416 1.452 ( 4.032 1.153 -2.447) 4.856 1.544 ( 4.099 -4.186 0.505) 5.880 1.636 ( -1.253 -0.239 -4.109) 4.302 1.682 ( -6.473 -6.529 -3.204) 9.736 1.814 ( -7.861 -3.855 3.242) 9.336 1.970 ( -0.622 0.262 -1.257) 1.426 2.079 ( -2.984 -0.521 1.273) 3.286 2.202 ( -3.322 -1.715 4.753) 6.047 2.319 ( 1.122 1.130 3.501) 3.847 2.461 ( 2.341 2.130 0.982) 3.313 2.582 ( 0.635 1.445 -6.156) 6.356 2.783 ( 1.501 -0.053 -5.392) 5.597 2.871 ( 0.108 -3.014 -0.653) 3.086 3.155 ( -0.034 -9.264 0.145) 9.265 3.328 ( 2.509 -4.162 0.024) 4.859 3.390 ( -0.742 -9.166 0.699) 9.223 3.649 ( -0.979 -4.273 0.248) 4.391 3.789 ( 5.626 -0.546 0.580) 5.682 3.827 ( 0.296 -1.788 1.558) 2.390 4.056 ( 1.716 -1.664 2.448) 3.422 4.188 ( 2.591 -7.848 2.463) 8.624 4.514 ( 7.298 -0.400 -3.239) 7.994 4.591 ( 0.685 -8.940 1.356) 9.068 4.767 ( -4.828 -2.193 -4.521) 6.969 5.289 ( -2.507 -0.130 2.674) 3.668 5.472 ( -0.464 -1.289 -0.194) 1.384 5.508 ( -4.081 -6.145 0.958) 7.438 5.864 ( -5.204 -2.506 -3.456) 6.731 5.940 ( 4.299 3.208 0.429) 5.381 6.482 ( 0.527 -2.616 0.915) 2.822 6.760 ( 3.167 -10.283 5.473) 12.072 6.851 ( -0.992 -0.922 -3.750) 3.987 7.041 ( 3.430 2.069 -1.684) 4.345 8.242 ( 1.944 0.795 2.330) 3.137 9.688 ( -0.331 2.808 0.937) 2.979 12.622 ( 0.323 -0.519 0.049) 0.613 13.193 ( -3.427 2.126 -1.530) 4.314 13.769 ( 3.055 3.096 8.097) 9.191 14.446 ( -6.515 1.592 -1.210) 6.815 14.724 ( 8.360 -4.470 -3.944) 10.268 16.455 ( -1.837 1.982 0.700) 2.792 ======================= Grid point 137 (63/140) ======================= q-point: (-0.22 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -5.341 -3.023 2.063) 6.474 0.953 ( 0.506 1.376 9.201) 9.317 1.017 ( -6.601 -10.630 -0.026) 12.513 1.253 ( 0.062 -0.205 -1.049) 1.071 1.361 ( 4.212 -2.796 3.189) 5.977 1.405 ( -1.182 -3.707 1.597) 4.205 1.452 ( 6.391 0.889 -2.961) 7.100 1.475 ( 1.999 -3.005 0.379) 3.629 1.625 ( -1.268 -1.927 -2.927) 3.727 1.648 ( 4.420 -1.383 0.502) 4.659 1.730 ( -11.388 -8.130 1.539) 14.076 1.850 ( 2.094 0.896 2.629) 3.478 2.001 ( -1.313 -5.108 -1.571) 5.503 2.034 ( -5.263 0.550 1.743) 5.571 2.232 ( -2.210 -2.116 -0.101) 3.062 2.293 ( -1.012 1.892 2.476) 3.276 2.460 ( 1.481 0.022 3.620) 3.911 2.564 ( 1.974 0.293 -4.729) 5.133 2.793 ( 1.903 -0.487 -5.344) 5.694 2.928 ( -0.059 -3.069 -0.827) 3.179 3.335 ( 1.642 -7.242 1.093) 7.506 3.490 ( 2.357 -11.142 0.152) 11.390 3.588 ( -0.066 -10.747 0.700) 10.770 3.692 ( 0.075 -0.712 1.562) 1.718 3.844 ( 1.603 -2.093 -0.230) 2.646 3.952 ( 4.091 -7.689 0.833) 8.749 4.127 ( 3.457 -3.723 3.184) 5.996 4.395 ( 1.395 -10.501 -5.067) 11.743 4.583 ( 4.991 -4.225 -3.561) 7.446 4.786 ( -2.287 -9.990 1.083) 10.306 4.821 ( 0.928 -6.637 5.853) 8.898 5.282 ( -2.238 -0.572 3.820) 4.464 5.493 ( 0.176 -1.534 1.087) 1.889 5.638 ( -2.736 -10.016 -1.316) 10.466 5.883 ( -6.389 -4.000 -3.237) 8.204 5.949 ( 5.897 -0.505 -4.825) 7.636 6.456 ( 0.138 4.017 4.349) 5.922 6.833 ( -4.902 -0.535 -6.231) 7.946 7.027 ( 5.397 -4.815 -0.211) 7.236 7.080 ( 0.990 -10.905 4.190) 11.724 8.239 ( 1.539 1.589 2.051) 3.017 9.619 ( -0.296 4.332 0.978) 4.451 12.638 ( 0.419 -0.800 0.031) 0.903 13.116 ( -3.182 2.645 -0.890) 4.232 13.721 ( 1.403 5.979 7.158) 9.431 14.272 ( -8.782 6.690 -1.447) 11.134 14.978 ( 12.208 -11.296 -2.926) 16.887 16.386 ( -2.944 3.264 0.404) 4.415 ======================= Grid point 138 (64/140) ======================= q-point: (-0.11 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -1.730 -0.608 2.446) 3.057 0.982 ( -2.747 -4.007 7.459) 8.902 1.137 ( -7.880 -8.369 -0.204) 11.497 1.243 ( -1.169 0.338 -1.864) 2.226 1.404 ( -1.023 -1.074 2.319) 2.753 1.437 ( 7.654 4.523 -1.726) 9.056 1.448 ( 1.140 0.282 0.413) 1.245 1.570 ( 0.145 -3.235 -0.322) 3.254 1.604 ( 0.472 2.888 2.585) 3.904 1.729 ( 5.650 -2.328 -1.591) 6.314 1.801 ( -6.940 -5.340 2.488) 9.104 1.840 ( -1.312 -1.489 -2.975) 3.577 2.002 ( -0.938 0.242 1.622) 1.890 2.090 ( 0.594 -3.850 -1.423) 4.147 2.239 ( -7.513 -4.225 0.608) 8.641 2.268 ( 2.090 1.966 2.174) 3.600 2.480 ( 0.206 -0.083 4.035) 4.041 2.585 ( 2.069 -1.272 -2.646) 3.592 2.802 ( 2.258 0.406 -4.881) 5.394 2.976 ( 0.054 -2.239 -1.019) 2.461 3.448 ( 1.542 -3.584 1.160) 4.071 3.679 ( -0.024 -2.668 1.693) 3.160 3.720 ( 2.053 -4.404 1.860) 5.203 3.762 ( 1.105 -7.406 -0.731) 7.523 3.904 ( 1.200 -2.932 0.436) 3.198 4.064 ( 0.955 -1.645 3.080) 3.620 4.289 ( 3.553 -8.720 -2.243) 9.679 4.518 ( 0.928 -4.888 -13.173) 14.082 4.744 ( 1.478 -7.585 -2.931) 8.264 4.942 ( 1.391 -8.063 11.000) 13.709 5.004 ( -0.084 -8.120 7.569) 11.101 5.290 ( -1.906 -1.198 5.199) 5.665 5.551 ( 2.615 -3.765 1.560) 4.842 5.783 ( -2.674 -2.107 -2.418) 4.175 5.868 ( -4.243 -6.145 -3.756) 8.359 6.039 ( 9.319 -2.110 -5.650) 11.100 6.396 ( -6.058 0.954 5.574) 8.287 6.786 ( -3.202 -0.312 -8.182) 8.791 7.086 ( 5.548 -0.051 -4.593) 7.203 7.343 ( -2.577 -12.507 7.511) 14.815 8.218 ( 0.724 2.002 1.533) 2.623 9.538 ( -0.219 3.977 0.999) 4.107 12.655 ( 0.278 -0.666 0.005) 0.721 13.051 ( -1.880 1.714 -0.324) 2.564 13.610 ( -2.110 6.049 4.579) 7.875 14.118 ( -4.012 3.752 0.921) 5.570 15.253 ( 9.235 -8.096 -2.765) 12.589 16.300 ( -2.771 3.030 0.215) 4.112 ======================= Grid point 145 (65/140) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -12.593 -0.000 2.599) 12.858 0.753 ( -9.718 -0.000 5.332) 11.085 1.047 ( 4.817 0.000 12.478) 13.375 1.161 ( 5.114 0.000 3.590) 6.248 1.299 ( -0.732 -0.000 1.574) 1.736 1.305 ( 1.187 0.000 -1.347) 1.795 1.417 ( -2.428 -0.000 0.602) 2.501 1.449 ( -1.982 -0.000 -4.313) 4.747 1.527 ( 7.272 0.000 -1.911) 7.519 1.558 ( -2.576 -0.000 -4.341) 5.048 1.636 ( 2.885 0.000 -2.719) 3.965 1.689 ( -9.085 -0.000 5.069) 10.404 1.966 ( -2.522 -0.000 -1.912) 3.165 2.066 ( -0.739 -0.000 1.558) 1.724 2.183 ( 0.123 0.000 7.196) 7.197 2.346 ( 0.116 0.000 2.899) 2.902 2.503 ( 1.397 0.000 0.641) 1.537 2.591 ( 1.154 0.000 -6.138) 6.245 2.790 ( 1.896 0.000 -5.808) 6.110 2.835 ( -0.077 -0.000 -0.240) 0.252 3.054 ( -0.408 -0.000 -0.255) 0.481 3.291 ( -1.015 -0.000 0.506) 1.135 3.314 ( 3.130 0.000 0.174) 3.135 3.597 ( -0.476 -0.000 -0.037) 0.477 3.810 ( 0.197 0.000 0.089) 0.217 3.846 ( 6.121 0.000 2.258) 6.524 4.033 ( 0.461 0.000 -0.473) 0.661 4.172 ( 5.236 0.000 6.260) 8.161 4.488 ( 0.230 0.000 0.095) 0.249 4.564 ( 1.892 0.000 -14.635) 14.757 4.714 ( -0.080 -0.000 3.896) 3.897 5.274 ( -2.428 -0.000 3.157) 3.983 5.405 ( -3.690 -0.000 -0.073) 3.691 5.465 ( -0.325 -0.000 -0.508) 0.603 5.785 ( -5.886 -0.000 -3.744) 6.976 6.045 ( 4.975 0.000 6.494) 8.181 6.407 ( 1.501 0.000 0.082) 1.503 6.733 ( 3.882 0.000 2.740) 4.752 6.814 ( -3.414 -0.000 -6.134) 7.020 7.094 ( 4.039 0.000 0.611) 4.085 8.275 ( 2.656 0.000 2.584) 3.705 9.714 ( -0.363 -0.000 0.927) 0.996 12.620 ( 0.389 0.000 0.046) 0.392 13.176 ( -4.463 -0.000 -1.631) 4.752 13.865 ( 6.732 0.000 11.484) 13.312 14.438 ( -0.229 -0.000 -0.037) 0.232 14.697 ( 0.649 0.000 -8.463) 8.487 16.459 ( -2.505 -0.000 0.734) 2.610 ======================= Grid point 146 (66/140) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -9.712 -7.387 4.303) 12.938 0.733 ( -10.095 -9.544 2.668) 14.146 1.061 ( 4.358 4.532 8.191) 10.326 1.259 ( -4.729 -0.243 -1.493) 4.965 1.290 ( 1.117 -6.912 3.349) 7.761 1.344 ( -0.462 -3.136 1.968) 3.731 1.359 ( -9.663 -4.198 0.136) 10.536 1.468 ( 3.546 0.141 -1.689) 3.931 1.581 ( -2.176 -3.885 1.176) 4.606 1.596 ( 6.285 -0.006 -4.192) 7.555 1.676 ( 5.555 -0.675 -1.463) 5.784 1.736 ( -2.909 -8.678 3.122) 9.671 1.943 ( -3.538 -1.101 0.557) 3.747 2.043 ( -0.851 2.244 1.612) 2.891 2.209 ( 0.900 0.092 0.699) 1.143 2.338 ( 0.983 1.359 4.479) 4.783 2.490 ( 0.158 1.642 2.084) 2.658 2.581 ( 1.858 0.925 -4.689) 5.128 2.789 ( 1.727 -0.086 -5.833) 6.084 2.867 ( -0.171 -2.913 -0.681) 2.997 3.170 ( 2.053 -10.855 0.617) 11.065 3.370 ( 0.995 -6.092 1.077) 6.266 3.389 ( 1.746 -7.475 -0.257) 7.681 3.637 ( -0.818 -3.974 0.245) 4.065 3.824 ( 0.701 -1.179 -0.302) 1.404 3.916 ( 7.237 -1.980 2.629) 7.950 4.087 ( 0.752 -4.061 1.387) 4.357 4.256 ( 3.271 -4.441 -0.828) 5.578 4.519 ( -2.582 -2.518 -11.395) 11.952 4.589 ( -0.756 -8.589 -0.985) 8.678 4.776 ( 5.122 -2.572 6.493) 8.661 5.262 ( -2.610 -0.280 3.928) 4.724 5.437 ( -4.534 -5.738 0.186) 7.316 5.485 ( 2.881 -2.338 -1.255) 3.917 5.758 ( -5.398 -2.753 -3.367) 6.932 6.032 ( 6.424 4.241 1.599) 7.862 6.511 ( 1.418 -2.695 2.585) 3.995 6.766 ( -5.005 -0.525 -7.671) 9.175 6.815 ( 0.777 -7.844 4.149) 8.908 7.111 ( 3.909 1.390 0.316) 4.161 8.288 ( 2.266 1.474 2.423) 3.630 9.686 ( -0.354 2.770 0.939) 2.946 12.629 ( 0.458 -0.545 0.018) 0.712 13.122 ( -4.021 1.466 -1.172) 4.437 13.887 ( 5.491 6.794 12.627) 15.354 14.323 ( -7.678 7.350 -2.431) 10.903 14.843 ( 8.841 -12.732 -7.412) 17.182 16.414 ( -3.268 2.282 0.494) 4.016 ======================= Grid point 147 (67/140) ======================= q-point: (-0.11 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -8.645 -6.351 5.187) 11.915 0.881 ( -10.299 -10.498 -0.208) 14.708 1.015 ( 2.321 4.135 6.386) 7.954 1.238 ( -1.353 -0.628 -1.749) 2.299 1.363 ( -2.952 -2.396 -0.205) 3.808 1.429 ( -9.163 -11.363 3.104) 14.923 1.449 ( 3.406 -3.132 2.845) 5.432 1.502 ( 0.048 -3.839 -1.786) 4.234 1.605 ( 4.646 2.237 -3.959) 6.501 1.681 ( 2.453 -3.860 3.073) 5.510 1.705 ( 3.452 0.701 -1.079) 3.684 1.859 ( -1.780 -3.340 1.594) 4.106 1.977 ( -2.933 -0.962 5.325) 6.155 2.008 ( 2.168 -3.406 -0.683) 4.095 2.173 ( -2.416 1.786 -5.132) 5.947 2.334 ( 3.123 2.402 3.302) 5.141 2.481 ( -0.897 -0.408 4.854) 4.953 2.579 ( 1.663 -0.150 -3.032) 3.461 2.803 ( 1.941 -0.865 -5.767) 6.146 2.922 ( -0.201 -3.124 -0.879) 3.251 3.390 ( 4.302 -6.422 2.078) 8.004 3.529 ( 1.976 -10.412 0.758) 10.625 3.590 ( 0.044 -11.155 0.172) 11.157 3.694 ( -0.332 -2.542 0.605) 2.634 3.864 ( 1.208 -2.330 -0.285) 2.640 4.042 ( 4.127 -3.038 3.824) 6.394 4.171 ( 1.077 -5.160 0.495) 5.295 4.386 ( 3.364 -8.385 -13.777) 16.475 4.588 ( -1.409 -7.845 -5.126) 9.476 4.774 ( -1.294 -10.785 4.538) 11.772 4.919 ( 6.733 -5.922 7.966) 11.994 5.261 ( -2.773 -1.014 5.049) 5.848 5.498 ( -0.940 -4.044 0.832) 4.234 5.631 ( 3.816 -9.505 -2.760) 10.608 5.763 ( -5.117 -2.501 -3.071) 6.470 6.067 ( 9.390 -1.396 -2.467) 9.808 6.441 ( -5.761 6.724 5.474) 10.410 6.728 ( -2.423 -0.864 -8.554) 8.932 7.050 ( -2.822 -13.736 3.872) 14.548 7.124 ( 1.545 -1.234 -0.297) 2.000 8.270 ( 1.209 2.232 1.983) 3.221 9.618 ( -0.280 4.260 0.918) 4.367 12.645 ( 0.317 -0.709 -0.030) 0.777 13.062 ( -2.704 1.595 -0.501) 3.179 13.744 ( -3.747 9.803 7.392) 12.836 14.162 ( -3.366 4.041 1.459) 5.457 15.156 ( 11.080 -10.956 -6.062) 16.720 16.335 ( -3.026 3.079 0.283) 4.326 ======================= Grid point 155 (68/140) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -12.743 -0.000 3.727) 13.277 0.591 ( -13.208 -0.000 6.594) 14.762 1.052 ( -25.146 -0.000 2.479) 25.268 1.197 ( 6.401 0.000 10.972) 12.703 1.243 ( 3.280 0.000 2.513) 4.132 1.283 ( -1.521 -0.000 -1.432) 2.089 1.363 ( 1.904 0.000 -3.556) 4.034 1.506 ( 2.067 0.000 -2.095) 2.943 1.518 ( -0.683 -0.000 -0.180) 0.707 1.613 ( -3.093 -0.000 5.252) 6.095 1.633 ( 6.232 0.000 -1.790) 6.484 1.735 ( 7.468 0.000 -2.673) 7.932 1.915 ( -1.126 -0.000 2.819) 3.035 2.052 ( -1.546 -0.000 0.638) 1.672 2.240 ( 2.240 0.000 -0.514) 2.298 2.375 ( 2.561 0.000 9.391) 9.734 2.509 ( -1.178 -0.000 2.437) 2.707 2.604 ( 2.967 0.000 -4.719) 5.574 2.795 ( 1.573 0.000 -5.982) 6.186 2.831 ( -0.322 -0.000 -0.246) 0.406 3.051 ( 0.099 0.000 0.011) 0.100 3.277 ( -0.806 -0.000 0.162) 0.822 3.372 ( 3.476 0.000 0.362) 3.495 3.586 ( -0.839 -0.000 -0.018) 0.839 3.816 ( 0.615 0.000 -1.015) 1.187 3.962 ( 6.290 0.000 2.454) 6.752 4.039 ( 0.486 0.000 -0.345) 0.596 4.239 ( -1.823 -0.000 -3.814) 4.227 4.435 ( -4.602 -0.000 -8.890) 10.010 4.492 ( 0.263 0.000 0.050) 0.267 4.807 ( 4.891 0.000 3.278) 5.888 5.245 ( -3.225 -0.000 4.409) 5.463 5.338 ( -4.080 -0.000 -0.058) 4.080 5.492 ( 4.029 0.000 -1.377) 4.258 5.688 ( -3.807 -0.000 -3.210) 4.979 6.166 ( 5.400 0.000 5.999) 8.071 6.434 ( 1.518 0.000 0.076) 1.520 6.704 ( -4.123 -0.000 -10.618) 11.390 6.801 ( 3.132 0.000 1.357) 3.413 7.159 ( 2.367 0.000 4.111) 4.744 8.334 ( 3.141 0.000 2.436) 3.975 9.712 ( -0.379 -0.000 0.884) 0.962 12.627 ( 0.427 0.000 0.025) 0.428 13.101 ( -3.642 -0.000 -1.127) 3.812 14.082 ( 12.181 0.000 19.813) 23.257 14.434 ( -0.246 -0.000 -0.015) 0.246 14.616 ( -5.112 -0.000 -17.788) 18.508 16.411 ( -3.332 -0.000 0.294) 3.345 ======================= Grid point 156 (69/140) ======================= q-point: (-0.11 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -12.903 -5.280 5.980) 15.170 0.571 ( -9.007 -14.694 2.720) 17.448 0.963 ( -20.420 -12.454 7.656) 25.114 1.157 ( 2.986 6.256 3.641) 7.830 1.312 ( 0.790 1.223 -1.538) 2.118 1.320 ( -1.519 -2.513 0.631) 3.004 1.369 ( 1.879 -5.038 1.165) 5.502 1.504 ( 1.014 0.688 -2.878) 3.127 1.589 ( 2.068 -5.703 4.269) 7.418 1.663 ( 0.955 -2.002 -0.962) 2.418 1.702 ( 1.322 -4.942 0.821) 5.181 1.787 ( 4.808 -0.257 -1.730) 5.116 1.921 ( 0.461 -0.511 5.527) 5.570 2.043 ( 0.313 0.419 0.118) 0.536 2.197 ( -0.666 3.350 -4.783) 5.878 2.414 ( 3.822 1.458 9.300) 10.160 2.484 ( -2.022 1.673 4.026) 4.805 2.600 ( 2.288 1.523 -3.921) 4.789 2.792 ( 1.654 -0.293 -5.909) 6.143 2.861 ( -0.246 -2.859 -0.736) 2.963 3.241 ( 6.418 -13.573 1.747) 15.115 3.369 ( -0.363 -9.477 0.252) 9.487 3.443 ( 3.735 -3.932 0.702) 5.468 3.623 ( -0.979 -3.791 0.140) 3.918 3.837 ( 1.380 -1.881 -1.849) 2.977 4.044 ( 5.802 -2.783 2.487) 6.899 4.098 ( -0.492 -2.951 1.697) 3.440 4.214 ( -2.367 -7.591 -15.820) 17.706 4.442 ( -2.290 -4.218 -3.466) 5.920 4.586 ( -0.296 -8.486 2.089) 8.745 4.890 ( 5.347 -4.705 3.335) 7.865 5.229 ( -3.682 -0.571 5.299) 6.478 5.371 ( -3.179 -6.037 0.022) 6.823 5.557 ( 5.991 -3.330 -2.337) 7.242 5.678 ( -2.437 -2.174 -2.661) 4.213 6.143 ( 4.338 3.073 0.193) 5.320 6.498 ( -4.161 0.752 1.144) 4.381 6.697 ( 3.141 -2.143 -8.708) 9.502 6.815 ( -3.478 -4.164 3.124) 6.261 7.148 ( -0.308 2.584 3.827) 4.628 8.329 ( 1.354 2.692 2.208) 3.736 9.684 ( -0.373 2.716 0.801) 2.856 12.636 ( 0.327 -0.495 -0.040) 0.594 13.064 ( -2.431 0.956 -0.538) 2.667 13.968 ( -7.828 19.328 8.540) 22.534 14.218 ( -0.392 2.936 5.060) 5.863 14.965 ( 11.457 -19.509 -11.809) 25.521 16.361 ( -3.028 2.202 0.210) 3.750 ======================= Grid point 165 (70/140) ======================= q-point: (-0.11 -0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( -10.132 -0.000 7.569) 12.647 0.365 ( -16.211 -0.000 5.561) 17.139 0.692 ( -20.689 -0.000 19.817) 28.649 1.228 ( -2.402 -0.000 -7.506) 7.881 1.292 ( 1.129 0.000 3.315) 3.503 1.318 ( 2.753 0.000 4.098) 4.937 1.355 ( -0.556 -0.000 -8.168) 8.187 1.500 ( 0.418 0.000 -2.490) 2.525 1.539 ( 1.693 0.000 4.939) 5.221 1.641 ( 2.534 0.000 9.430) 9.764 1.709 ( 3.777 0.000 -1.738) 4.158 1.800 ( 1.905 0.000 -0.074) 1.907 1.988 ( 6.701 0.000 -0.446) 6.716 2.024 ( -1.755 -0.000 -0.558) 1.842 2.235 ( -0.704 -0.000 -6.576) 6.614 2.456 ( -1.909 -0.000 6.753) 7.018 2.571 ( 5.836 0.000 6.399) 8.661 2.701 ( 17.137 0.000 9.309) 19.502 2.805 ( 4.091 0.000 -1.952) 4.533 2.824 ( -0.358 -0.000 -0.365) 0.511 3.056 ( 0.399 0.000 0.557) 0.685 3.268 ( -0.235 -0.000 -0.100) 0.256 3.422 ( 2.218 0.000 0.376) 2.249 3.571 ( -0.840 -0.000 -0.045) 0.841 3.778 ( -7.368 -0.000 -10.887) 13.146 4.011 ( -10.375 -0.000 -7.251) 12.658 4.045 ( 0.341 0.000 -0.243) 0.419 4.093 ( 1.919 0.000 2.501) 3.153 4.395 ( -1.354 -0.000 0.056) 1.355 4.496 ( 0.175 0.000 0.027) 0.177 4.849 ( -1.664 -0.000 2.368) 2.894 5.204 ( -4.049 -0.000 6.285) 7.476 5.281 ( -2.608 -0.000 -0.024) 2.608 5.568 ( 4.986 0.000 -2.864) 5.751 5.639 ( -0.551 -0.000 -2.587) 2.645 6.173 ( -8.419 -0.000 -1.836) 8.617 6.454 ( 0.896 0.000 0.072) 0.899 6.685 ( 8.954 0.000 -10.559) 13.844 6.809 ( -3.025 -0.000 -7.029) 7.652 7.239 ( 4.707 0.000 13.033) 13.857 8.387 ( 1.868 0.000 0.111) 1.871 9.709 ( -0.389 -0.000 0.745) 0.840 12.633 ( 0.264 0.000 -0.002) 0.264 13.056 ( -1.270 -0.000 -0.057) 1.271 14.177 ( -23.501 -0.000 -17.548) 29.329 14.430 ( -0.148 -0.000 0.013) 0.148 14.591 ( 23.151 0.000 15.524) 27.874 16.360 ( -2.552 -0.000 -0.105) 2.554 ======================= Grid point 166 (71/140) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 0.976 0.000 12.157) 12.196 0.618 ( 6.968 0.000 13.897) 15.546 0.944 ( -1.746 -0.000 -11.526) 11.658 1.054 ( -5.072 -0.000 0.083) 5.073 1.164 ( 1.736 0.000 13.999) 14.106 1.348 ( -3.552 -0.000 0.805) 3.642 1.393 ( -0.982 -0.000 4.561) 4.666 1.416 ( -0.170 -0.000 -2.080) 2.087 1.665 ( -0.664 -0.000 -0.946) 1.156 1.746 ( -3.963 -0.000 -0.377) 3.981 1.754 ( 4.029 0.000 4.120) 5.763 1.843 ( 1.632 0.000 -2.742) 3.191 1.943 ( -2.024 -0.000 -3.336) 3.902 2.017 ( 1.626 0.000 -5.152) 5.403 2.069 ( 0.797 0.000 0.550) 0.968 2.507 ( -5.280 -0.000 2.069) 5.671 2.539 ( 2.504 0.000 -3.683) 4.454 2.667 ( 2.311 0.000 -5.248) 5.735 2.808 ( -0.119 -0.000 -0.391) 0.409 3.085 ( 0.190 0.000 0.855) 0.876 3.113 ( -4.238 -0.000 -1.838) 4.620 3.269 ( 0.556 0.000 -0.059) 0.559 3.440 ( -0.806 -0.000 0.191) 0.828 3.565 ( 0.287 0.000 -0.042) 0.290 3.639 ( 7.683 0.000 1.112) 7.763 3.919 ( -2.006 -0.000 0.715) 2.130 4.042 ( -0.030 -0.000 -0.214) 0.216 4.263 ( 8.028 0.000 -1.670) 8.200 4.321 ( -1.906 -0.000 -1.193) 2.248 4.499 ( 0.037 0.000 0.033) 0.049 5.026 ( 1.877 0.000 10.143) 10.315 5.259 ( 0.050 0.000 0.012) 0.052 5.333 ( -4.546 -0.000 8.243) 9.414 5.456 ( -0.043 -0.000 -8.511) 8.511 5.629 ( 2.503 0.000 -1.355) 2.846 5.996 ( -6.941 -0.000 3.816) 7.921 6.464 ( -0.016 -0.000 0.070) 0.072 6.503 ( -5.017 -0.000 -6.953) 8.574 6.652 ( 9.494 0.000 -7.487) 12.091 7.480 ( -4.093 -0.000 5.945) 7.218 8.374 ( -1.380 -0.000 1.022) 1.717 9.720 ( -0.261 -0.000 0.636) 0.687 12.634 ( -0.021 -0.000 -0.023) 0.031 13.067 ( -0.309 -0.000 0.632) 0.704 13.624 ( -5.840 -0.000 -0.263) 5.846 14.430 ( 0.017 0.000 0.034) 0.038 15.077 ( 5.037 0.000 0.294) 5.046 16.342 ( 0.064 0.000 0.097) 0.116 ======================= Grid point 167 (72/140) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 2.692 -13.809 8.076) 16.223 0.741 ( 5.876 -3.806 12.097) 13.977 0.970 ( -1.387 -4.887 -7.211) 8.821 1.050 ( -2.997 -4.131 -9.063) 10.401 1.280 ( 7.127 -4.127 15.970) 17.968 1.309 ( -3.584 -1.533 3.260) 5.082 1.399 ( -0.781 0.863 -1.265) 1.718 1.460 ( -2.079 -5.952 4.364) 7.668 1.658 ( -1.420 -0.191 -2.516) 2.895 1.704 ( -4.262 -0.168 0.058) 4.266 1.813 ( -0.203 1.346 -2.305) 2.677 1.827 ( 1.762 -2.917 2.688) 4.340 1.920 ( 0.192 0.924 -0.549) 1.092 2.073 ( 2.874 -3.573 -6.030) 7.576 2.120 ( -0.134 -4.801 1.515) 5.036 2.444 ( -6.364 1.998 1.112) 6.763 2.541 ( 2.272 1.211 -2.953) 3.918 2.655 ( -0.313 3.025 -3.039) 4.299 2.794 ( -0.097 9.153 2.183) 9.411 2.849 ( -0.265 -0.722 0.333) 0.838 3.295 ( -5.067 -11.858 0.128) 12.896 3.385 ( 0.571 -10.353 0.025) 10.369 3.491 ( -5.289 -4.434 0.920) 6.963 3.609 ( 1.677 -4.308 -0.226) 4.629 3.713 ( 4.893 -2.621 -5.161) 7.579 3.919 ( 0.409 -0.448 1.256) 1.394 4.109 ( 0.381 -6.511 0.485) 6.540 4.223 ( -4.739 1.702 -2.488) 5.616 4.368 ( 7.123 -3.529 -4.943) 9.361 4.689 ( 3.472 -12.283 0.684) 12.782 5.146 ( 4.362 -6.925 4.965) 9.572 5.286 ( -2.448 -2.735 3.114) 4.814 5.389 ( -0.624 -7.526 4.234) 8.658 5.458 ( 0.353 -1.803 -7.405) 7.630 5.699 ( 0.912 -6.251 -1.480) 6.488 5.886 ( -4.847 5.797 5.186) 9.165 6.452 ( -5.558 -0.583 -5.582) 7.898 6.574 ( 3.328 -8.152 -0.651) 8.829 6.763 ( 7.389 -6.249 -6.400) 11.602 7.299 ( -8.233 12.547 8.283) 17.141 8.357 ( -1.728 0.581 1.792) 2.557 9.691 ( -0.143 2.925 0.691) 3.009 12.637 ( -0.139 -0.305 -0.007) 0.335 13.049 ( -0.339 1.280 0.582) 1.446 13.616 ( 4.000 1.070 1.708) 4.479 14.541 ( -2.378 -6.943 5.615) 9.240 14.998 ( -1.280 4.687 -6.863) 8.409 16.333 ( 0.870 1.346 0.088) 1.606 ======================= Grid point 168 (73/140) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 3.872 -5.171 9.207) 11.247 0.941 ( 1.174 -9.138 3.212) 9.757 1.019 ( -1.473 -2.932 0.055) 3.282 1.112 ( 0.403 -4.409 -5.770) 7.273 1.300 ( 0.127 -1.605 -0.162) 1.619 1.378 ( -1.514 -0.282 -1.452) 2.117 1.510 ( -2.371 -3.175 3.216) 5.103 1.548 ( 3.602 -7.250 6.833) 10.594 1.634 ( -2.899 1.880 -1.472) 3.756 1.706 ( -0.668 -4.065 0.895) 4.215 1.830 ( -1.117 -2.882 0.630) 3.155 1.865 ( 1.005 0.182 3.456) 3.603 1.921 ( 1.550 -1.355 1.184) 2.375 2.135 ( 3.538 -0.874 -5.812) 6.860 2.223 ( -1.475 -5.976 1.478) 6.330 2.324 ( -3.122 6.177 -1.688) 7.124 2.516 ( -4.931 2.120 3.086) 6.191 2.533 ( 1.049 2.900 -1.396) 3.385 2.735 ( 1.280 0.259 -3.670) 3.895 2.905 ( 0.652 -3.157 -0.656) 3.289 3.463 ( -3.441 -6.949 2.518) 8.153 3.542 ( -4.073 -7.486 0.277) 8.527 3.607 ( 0.719 -11.342 0.899) 11.400 3.682 ( -1.665 -2.747 -1.265) 3.452 3.846 ( 3.713 -9.044 -2.889) 10.194 3.946 ( 1.359 -1.768 1.471) 2.671 4.151 ( -2.678 0.692 0.235) 2.776 4.289 ( -1.434 -10.283 -3.039) 10.818 4.500 ( 1.199 -7.783 -5.848) 9.809 4.930 ( 4.706 -9.755 4.060) 11.567 5.290 ( 2.385 -4.137 0.001) 4.775 5.345 ( -2.472 -4.982 1.870) 5.868 5.511 ( 0.767 -4.551 -3.079) 5.548 5.541 ( -1.608 -6.246 2.344) 6.862 5.785 ( -4.430 -0.723 5.004) 6.722 5.861 ( 1.617 -8.781 -2.320) 9.225 6.418 ( -3.685 -1.127 -4.870) 6.210 6.731 ( 8.212 -3.658 -5.035) 10.303 6.932 ( -5.476 0.323 0.248) 5.491 7.083 ( 1.492 -3.618 6.243) 7.368 8.329 ( -2.406 1.105 1.867) 3.240 9.623 ( 0.008 4.193 0.770) 4.263 12.644 ( -0.151 -0.579 0.013) 0.598 13.029 ( 0.970 1.172 0.343) 1.559 13.626 ( 5.055 2.706 2.192) 6.139 14.468 ( -5.794 10.304 9.195) 14.977 15.052 ( -0.876 -11.143 -9.786) 14.856 16.308 ( 1.150 2.157 0.111) 2.447 ======================= Grid point 169 (74/140) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -2.683 -0.760 2.819) 3.965 1.037 ( 1.907 -6.013 5.771) 8.549 1.097 ( 1.570 -2.856 0.787) 3.353 1.215 ( 1.662 -6.640 0.932) 6.908 1.350 ( 1.550 -1.574 1.934) 2.936 1.394 ( 0.956 -2.842 -4.321) 5.260 1.476 ( -3.500 1.395 -0.058) 3.768 1.546 ( -3.296 3.607 -0.548) 4.917 1.659 ( -0.624 -2.027 -1.632) 2.676 1.725 ( -3.941 2.718 -0.438) 4.808 1.804 ( -2.812 2.458 -0.895) 3.840 1.962 ( 3.653 -5.422 2.867) 7.138 2.019 ( 2.585 -4.898 8.116) 9.826 2.110 ( 4.178 5.624 -1.272) 7.120 2.244 ( -1.866 -1.114 -4.409) 4.915 2.320 ( -0.364 -5.510 0.839) 5.585 2.475 ( -5.340 -1.692 3.856) 6.801 2.528 ( 2.905 -0.120 -1.678) 3.357 2.722 ( 0.141 1.274 -4.880) 5.046 2.960 ( 0.781 -2.118 -0.716) 2.368 3.514 ( -0.213 -1.378 2.119) 2.537 3.658 ( -1.403 -4.122 0.936) 4.454 3.709 ( -4.745 -5.532 -0.228) 7.292 3.789 ( 0.557 -6.394 -0.244) 6.423 3.959 ( 1.321 -1.922 2.619) 3.507 4.104 ( 5.609 -9.731 -1.745) 11.366 4.125 ( -2.586 -0.136 0.014) 2.589 4.426 ( -4.159 -6.761 -4.145) 8.955 4.642 ( -1.662 -8.380 -4.359) 9.591 5.137 ( 5.283 -5.921 6.878) 10.501 5.363 ( 0.963 -2.718 -0.056) 2.884 5.418 ( -3.600 -5.167 1.648) 6.510 5.531 ( -4.377 -0.465 2.837) 5.237 5.657 ( 0.573 -7.254 2.275) 7.624 5.843 ( 4.243 -2.195 -0.005) 4.777 6.014 ( -2.321 -7.405 -2.074) 8.032 6.413 ( -4.269 -2.531 -4.343) 6.595 6.746 ( -5.244 6.425 1.125) 8.370 6.840 ( 8.255 -1.531 -7.521) 11.272 7.366 ( 3.990 -14.435 5.027) 15.797 8.281 ( -3.283 1.979 1.472) 4.107 9.549 ( 0.072 3.691 0.907) 3.801 12.654 ( -0.119 -0.634 0.025) 0.645 13.023 ( 1.507 0.684 0.270) 1.677 13.604 ( 2.660 3.410 2.221) 4.862 14.256 ( -3.562 8.133 4.491) 9.950 15.222 ( -1.596 -8.569 -4.573) 9.843 16.277 ( 0.982 2.013 0.146) 2.245 ======================= Grid point 170 (75/140) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -2.711 0.710 7.165) 7.693 1.131 ( -0.276 -2.142 -1.145) 2.445 1.191 ( 4.458 -4.789 2.318) 6.941 1.339 ( -0.579 -2.037 3.556) 4.139 1.358 ( -1.491 2.303 1.429) 3.094 1.412 ( -1.373 0.507 0.920) 1.728 1.425 ( 0.005 -0.568 -1.557) 1.657 1.534 ( 2.339 -3.988 -4.282) 6.302 1.593 ( -4.984 5.004 0.997) 7.133 1.655 ( -2.440 0.446 -3.714) 4.466 1.754 ( -1.438 -0.024 -2.735) 3.090 1.995 ( -3.421 0.120 1.229) 3.637 2.046 ( 4.721 4.741 0.052) 6.691 2.183 ( 5.839 -5.146 7.618) 10.891 2.222 ( -3.470 1.081 -2.217) 4.257 2.421 ( -0.636 -3.313 3.218) 4.662 2.481 ( -1.590 -1.284 0.639) 2.141 2.571 ( 2.321 -1.424 -1.475) 3.097 2.678 ( 0.697 1.577 -5.492) 5.756 2.990 ( 0.662 -0.561 -0.744) 1.143 3.528 ( -0.061 0.114 0.861) 0.870 3.694 ( -0.454 -1.694 1.962) 2.632 3.782 ( -2.086 -3.844 0.737) 4.435 3.855 ( 0.842 -0.731 -0.836) 1.393 4.006 ( 1.304 -0.908 3.181) 3.556 4.112 ( -2.426 -0.612 0.142) 2.506 4.287 ( 6.827 -4.273 -3.195) 8.665 4.452 ( -5.652 -1.765 -4.196) 7.257 4.740 ( -1.777 -3.879 -3.191) 5.328 5.234 ( 2.211 -0.504 3.987) 4.587 5.369 ( -9.650 -0.238 6.946) 11.892 5.488 ( 1.794 -2.264 6.860) 7.444 5.567 ( 3.911 -2.782 -0.341) 4.812 5.789 ( 0.609 -4.140 3.444) 5.419 5.889 ( 6.103 0.367 -1.837) 6.384 6.059 ( -2.169 0.478 -4.452) 4.975 6.402 ( -7.813 -2.222 -2.001) 8.365 6.647 ( 0.562 2.035 -2.997) 3.666 6.909 ( 4.904 -1.618 -8.109) 9.614 7.618 ( 2.310 -7.214 6.079) 9.713 8.217 ( -2.876 1.741 0.778) 3.451 9.502 ( -0.013 1.434 0.978) 1.736 12.663 ( -0.055 -0.325 0.015) 0.330 13.026 ( 0.780 0.178 0.312) 0.859 13.567 ( 0.221 1.618 1.989) 2.573 14.142 ( -1.151 3.054 2.736) 4.259 15.315 ( -0.615 -3.260 -2.527) 4.170 16.255 ( 0.396 0.894 0.191) 0.997 ======================= Grid point 171 (76/140) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -1.097 0.410 8.196) 8.279 1.145 ( -2.213 0.877 -2.883) 3.739 1.200 ( -3.339 6.032 4.366) 8.160 1.249 ( -2.880 4.936 2.995) 6.452 1.347 ( 3.353 -2.607 -0.906) 4.342 1.443 ( -0.117 -1.876 -0.814) 2.048 1.481 ( -2.468 2.437 1.466) 3.765 1.520 ( 1.550 -4.721 -0.959) 5.061 1.617 ( -1.133 1.190 -1.623) 2.310 1.631 ( 3.606 -5.053 -3.923) 7.343 1.787 ( -0.031 -4.157 -2.406) 4.803 1.935 ( -4.093 4.028 3.323) 6.635 2.013 ( 3.466 2.306 0.086) 4.163 2.138 ( -3.956 4.051 0.405) 5.677 2.306 ( 4.021 -1.625 4.953) 6.583 2.404 ( -2.397 4.136 4.890) 6.838 2.495 ( 1.183 -0.695 -2.054) 2.470 2.573 ( -1.403 -0.032 -2.622) 2.974 2.692 ( 4.007 -0.640 -4.969) 6.415 2.987 ( 0.231 1.050 -0.755) 1.314 3.519 ( -0.276 0.573 1.168) 1.330 3.719 ( -0.157 -0.374 1.084) 1.158 3.809 ( 0.246 0.384 0.735) 0.865 3.844 ( 1.987 2.784 -1.096) 3.591 4.012 ( 1.036 2.106 3.157) 3.934 4.100 ( -3.085 -0.294 -0.536) 3.145 4.328 ( -0.381 2.552 -3.987) 4.749 4.425 ( 3.905 1.849 -3.240) 5.401 4.731 ( -0.979 3.010 -3.253) 4.539 5.235 ( -1.254 2.046 3.530) 4.269 5.276 ( -8.135 2.812 7.033) 11.115 5.525 ( 2.853 2.545 9.411) 10.158 5.633 ( 5.485 1.085 0.593) 5.622 5.787 ( -0.075 3.121 3.368) 4.592 5.939 ( 0.827 6.489 -3.908) 7.620 5.990 ( 4.385 -2.325 -5.470) 7.386 6.376 ( -5.304 -1.411 0.354) 5.500 6.625 ( 0.973 1.188 -4.137) 4.413 6.951 ( 1.943 -1.720 -8.344) 8.738 7.642 ( -3.318 5.779 5.395) 8.573 8.209 ( 0.637 -1.958 0.924) 2.256 9.504 ( -0.217 -1.602 0.887) 1.844 12.664 ( 0.023 0.203 -0.025) 0.206 13.026 ( -0.700 -0.130 0.305) 0.774 13.573 ( -1.296 -2.370 1.872) 3.286 14.126 ( 0.165 -1.007 3.213) 3.371 15.326 ( 1.524 1.963 -2.848) 3.780 16.254 ( -0.419 -0.704 0.237) 0.853 ======================= Grid point 172 (77/140) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -4.372 7.377 7.454) 11.362 0.994 ( -3.221 3.993 3.338) 6.120 1.135 ( -1.955 4.188 3.459) 5.773 1.174 ( -0.229 0.079 -1.038) 1.066 1.363 ( -3.107 1.069 -1.227) 3.507 1.439 ( -0.010 0.098 -2.044) 2.046 1.505 ( 3.516 -1.726 -1.267) 4.116 1.586 ( 2.482 1.615 -0.166) 2.966 1.607 ( 1.808 -3.319 -2.177) 4.362 1.762 ( -3.616 7.816 4.781) 9.850 1.793 ( 2.108 -4.108 1.492) 4.852 1.856 ( 0.530 -2.693 -0.078) 2.746 2.004 ( -2.928 0.469 -2.603) 3.946 2.042 ( 1.293 3.371 3.217) 4.836 2.254 ( -0.874 7.509 3.928) 8.520 2.377 ( 0.864 -0.706 3.475) 3.650 2.503 ( 0.767 0.088 -5.852) 5.903 2.569 ( -0.963 -0.838 1.572) 2.025 2.707 ( 3.996 1.430 -5.501) 6.948 2.954 ( -0.196 2.362 -0.715) 2.476 3.515 ( 0.959 0.428 1.779) 2.066 3.698 ( -0.804 2.534 0.381) 2.685 3.750 ( 2.339 7.780 -1.796) 8.321 3.784 ( 1.664 5.350 0.253) 5.609 3.958 ( 0.771 4.920 2.376) 5.518 4.062 ( -4.737 0.773 -1.993) 5.197 4.237 ( -1.741 3.989 -2.744) 5.145 4.401 ( 7.598 5.674 -3.098) 9.976 4.603 ( 0.082 9.151 -3.968) 9.974 5.097 ( -7.570 8.176 7.197) 13.265 5.219 ( 0.628 3.063 3.524) 4.711 5.480 ( 4.055 6.681 7.968) 11.161 5.598 ( 1.108 5.571 1.594) 5.900 5.732 ( -1.090 3.527 0.522) 3.728 5.784 ( 1.803 7.156 -4.446) 8.616 6.054 ( 4.247 0.387 -4.501) 6.200 6.380 ( 0.268 -1.323 -0.632) 1.491 6.606 ( -0.125 -0.108 -1.082) 1.094 6.976 ( -0.153 -2.100 -7.211) 7.512 7.415 ( -6.608 13.584 3.675) 15.546 8.273 ( 1.981 -2.653 1.597) 3.675 9.555 ( -0.424 -3.779 0.678) 3.863 12.657 ( 0.063 0.584 -0.065) 0.591 13.024 ( -1.511 -0.664 0.250) 1.669 13.630 ( -4.180 -5.260 1.379) 6.859 14.203 ( 2.408 -5.511 6.232) 8.661 15.250 ( 3.253 7.591 -5.418) 9.878 16.274 ( -1.080 -1.959 0.258) 2.252 ======================= Grid point 173 (78/140) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -3.968 9.395 8.128) 13.041 0.884 ( -2.705 8.726 7.544) 11.848 1.098 ( -0.452 0.389 -1.093) 1.245 1.168 ( -0.218 -0.124 -4.832) 4.838 1.288 ( -2.650 4.633 0.827) 5.401 1.427 ( -0.986 0.737 -1.370) 1.842 1.472 ( -4.955 9.814 8.254) 13.748 1.535 ( 0.915 2.910 1.310) 3.320 1.619 ( 3.306 0.213 0.349) 3.332 1.696 ( 3.177 -3.741 -2.706) 5.604 1.826 ( 1.643 2.989 2.207) 4.063 1.886 ( -2.471 4.004 1.875) 5.065 1.992 ( -4.194 -1.452 -1.117) 4.577 2.029 ( 3.318 -1.333 -0.047) 3.576 2.145 ( 3.168 5.010 3.018) 6.651 2.430 ( 0.396 -5.189 -0.037) 5.205 2.498 ( 0.479 -0.645 -5.624) 5.681 2.586 ( -0.804 -1.162 5.471) 5.651 2.693 ( 3.805 1.866 -5.513) 6.954 2.899 ( -0.209 3.049 -0.677) 3.130 3.526 ( 4.051 1.345 2.027) 4.726 3.562 ( 1.685 12.193 -0.769) 12.333 3.592 ( -0.663 10.033 0.567) 10.070 3.678 ( 0.167 4.811 -0.856) 4.889 3.852 ( -0.147 7.652 -3.903) 8.591 3.993 ( -5.556 1.026 -1.668) 5.891 4.157 ( 1.066 4.090 -1.003) 4.344 4.341 ( 3.785 4.478 -1.787) 6.130 4.405 ( 1.481 10.972 -4.188) 11.837 4.874 ( -3.714 11.359 5.377) 13.105 5.162 ( 1.980 5.407 4.792) 7.492 5.406 ( 1.729 5.246 6.912) 8.848 5.475 ( -1.352 6.658 -1.089) 6.880 5.613 ( 0.423 6.932 -2.306) 7.318 5.720 ( 1.380 3.121 0.781) 3.501 6.024 ( -2.558 1.388 -5.991) 6.660 6.420 ( 7.476 0.051 -4.709) 8.836 6.626 ( -2.791 -2.332 -0.012) 3.638 6.957 ( -0.884 8.936 -2.147) 9.233 7.167 ( -4.665 0.152 3.380) 5.763 8.332 ( 1.219 -1.840 1.587) 2.718 9.629 ( -0.536 -4.149 0.531) 4.218 12.646 ( 0.069 0.592 -0.067) 0.600 13.031 ( -1.124 -1.200 0.304) 1.672 13.682 ( -8.634 -5.433 -0.254) 10.205 14.401 ( 4.684 -9.952 12.030) 16.301 15.071 ( 4.590 13.029 -10.313) 17.239 16.305 ( -1.259 -2.233 0.226) 2.573 ======================= Grid point 174 (79/140) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 1.698 5.754 12.244) 13.634 0.653 ( -1.228 15.234 8.048) 17.273 1.035 ( -2.627 4.188 -7.866) 9.290 1.135 ( -4.039 3.092 -3.355) 6.094 1.165 ( -0.753 3.636 12.240) 12.791 1.355 ( -3.389 0.038 4.103) 5.322 1.416 ( -0.471 -0.191 -2.141) 2.201 1.460 ( -0.153 5.611 3.696) 6.721 1.665 ( 2.446 -1.164 -2.926) 3.987 1.750 ( -0.178 2.910 2.018) 3.546 1.775 ( 2.573 0.862 0.322) 2.733 1.809 ( 0.837 0.562 0.941) 1.379 1.957 ( -4.063 -0.592 -0.757) 4.175 2.058 ( 1.398 1.612 -5.344) 5.754 2.093 ( 2.442 4.002 1.977) 5.088 2.511 ( 1.728 -0.848 -3.829) 4.286 2.527 ( -2.505 -2.537 -0.086) 3.566 2.651 ( 2.138 -1.506 -2.627) 3.707 2.758 ( 3.439 -11.618 4.273) 12.847 2.844 ( 0.362 1.886 -0.218) 1.933 3.344 ( 1.003 11.287 -1.161) 11.391 3.378 ( 0.925 10.670 -0.204) 10.712 3.550 ( 6.433 2.472 -0.187) 6.895 3.607 ( -6.335 3.542 -0.705) 7.292 3.637 ( 1.313 9.702 -4.310) 10.697 3.944 ( -3.900 0.119 0.393) 3.922 4.090 ( 1.276 4.356 0.481) 4.564 4.252 ( 5.821 6.467 -1.892) 8.904 4.310 ( -2.579 -1.089 -2.115) 3.509 4.656 ( 0.009 11.521 2.274) 11.744 5.070 ( 1.388 6.616 7.510) 10.105 5.316 ( -2.448 4.663 2.061) 5.655 5.377 ( 0.478 3.878 4.944) 6.302 5.503 ( -1.789 2.927 -6.165) 7.055 5.659 ( 2.597 4.735 -0.211) 5.405 5.994 ( -7.658 -4.153 -1.730) 8.881 6.472 ( 8.254 0.913 -5.277) 9.840 6.608 ( -8.016 0.160 -4.594) 9.240 6.687 ( 3.345 12.922 -2.048) 13.504 7.337 ( 0.243 -12.406 6.654) 14.079 8.367 ( -0.134 -1.172 1.062) 1.588 9.693 ( -0.447 -2.852 0.591) 2.947 12.637 ( 0.065 0.328 -0.038) 0.337 13.051 ( -0.112 -1.308 0.529) 1.415 13.681 ( -11.843 -3.534 -1.807) 12.491 14.545 ( -0.993 5.229 7.330) 9.059 14.939 ( 11.208 -0.771 -5.471) 12.496 16.331 ( -0.857 -1.420 0.146) 1.665 ======================= Grid point 176 (80/140) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 5.570 0.000 11.358) 12.651 0.784 ( 5.177 0.000 12.932) 13.930 0.893 ( 1.341 0.000 -10.719) 10.803 0.956 ( -3.473 -0.000 -8.365) 9.058 1.276 ( -3.985 -0.000 1.925) 4.426 1.348 ( 7.893 0.000 15.176) 17.105 1.378 ( -3.201 -0.000 4.804) 5.773 1.408 ( 1.698 0.000 0.192) 1.708 1.627 ( -3.042 -0.000 -2.098) 3.695 1.672 ( -4.615 -0.000 1.044) 4.731 1.802 ( -0.620 -0.000 2.267) 2.350 1.829 ( 0.426 0.000 -4.907) 4.925 1.926 ( 2.103 0.000 -1.870) 2.815 2.034 ( -1.420 -0.000 -0.164) 1.429 2.077 ( 2.051 0.000 -1.801) 2.730 2.409 ( -6.344 -0.000 0.990) 6.421 2.566 ( 2.121 0.000 -3.386) 3.995 2.672 ( 0.628 0.000 -4.106) 4.153 2.808 ( 0.277 0.000 -0.264) 0.383 2.968 ( -10.386 -0.000 3.219) 10.873 3.083 ( -0.581 -0.000 0.430) 0.723 3.286 ( 1.337 0.000 -0.139) 1.344 3.406 ( -3.045 -0.000 0.461) 3.080 3.578 ( 1.080 0.000 -0.062) 1.082 3.728 ( 3.437 0.000 -3.766) 5.098 3.927 ( 1.327 0.000 1.569) 2.055 4.036 ( -0.601 -0.000 -0.237) 0.646 4.195 ( -5.767 -0.000 -1.486) 5.955 4.479 ( 10.203 0.000 -6.024) 11.849 4.499 ( -0.081 -0.000 0.024) 0.084 5.116 ( 3.305 0.000 4.288) 5.414 5.283 ( 2.664 0.000 -0.023) 2.664 5.293 ( -1.616 -0.000 6.141) 6.350 5.435 ( 0.372 0.000 -5.018) 5.031 5.637 ( -1.655 -0.000 -1.422) 2.181 5.966 ( 1.538 0.000 8.966) 9.097 6.399 ( -3.405 -0.000 -6.677) 7.495 6.456 ( -0.923 -0.000 0.071) 0.926 6.783 ( 9.209 0.000 -8.408) 12.470 7.348 ( -13.822 -0.000 8.246) 16.095 8.349 ( -2.373 -0.000 1.884) 3.030 9.721 ( -0.021 -0.000 0.745) 0.745 12.632 ( -0.284 -0.000 -0.002) 0.284 13.060 ( 0.123 0.000 0.526) 0.540 13.704 ( 11.214 0.000 3.312) 11.692 14.431 ( 0.159 0.000 0.013) 0.160 15.014 ( -10.142 -0.000 -3.068) 10.596 16.357 ( 1.635 0.000 0.189) 1.646 ======================= Grid point 177 (81/140) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 3.309 -9.914 7.103) 12.637 0.869 ( 3.060 -3.894 10.471) 11.583 0.936 ( 1.434 -3.472 -4.314) 5.720 0.994 ( 1.860 -6.679 -8.312) 10.824 1.247 ( -3.705 -1.181 -0.230) 3.896 1.367 ( -2.670 0.566 0.985) 2.902 1.412 ( -4.132 -4.895 4.292) 7.710 1.521 ( 9.463 -2.571 9.279) 13.500 1.615 ( -1.995 -1.477 -1.311) 2.807 1.639 ( -2.619 -0.723 1.366) 3.041 1.808 ( 0.477 0.572 -2.186) 2.310 1.840 ( -0.774 -3.849 1.610) 4.243 1.948 ( 2.653 0.733 0.922) 2.903 2.067 ( -1.677 -4.838 -0.289) 5.128 2.124 ( 1.158 -3.490 -2.375) 4.377 2.350 ( -4.742 1.235 0.051) 4.901 2.553 ( -0.056 2.373 -2.834) 3.696 2.622 ( -1.809 5.269 -1.763) 5.843 2.781 ( -1.712 5.737 -0.130) 5.989 2.848 ( 0.383 -3.133 -0.285) 3.169 3.222 ( -3.698 -11.649 0.887) 12.254 3.398 ( 0.222 -9.774 0.363) 9.784 3.420 ( -3.550 -3.897 0.577) 5.303 3.626 ( 0.633 -3.421 0.070) 3.480 3.755 ( 2.826 -2.234 -3.280) 4.872 3.943 ( 1.148 -0.316 2.271) 2.565 4.103 ( -0.990 -7.317 -0.432) 7.396 4.143 ( -3.777 0.647 0.574) 3.874 4.416 ( 1.045 -0.035 -5.401) 5.501 4.739 ( 0.911 -13.307 -0.712) 13.357 5.188 ( -2.436 -5.237 0.036) 5.776 5.296 ( 2.493 -1.446 2.698) 3.948 5.403 ( 1.231 -6.308 -2.582) 6.926 5.460 ( 2.799 -3.451 -0.522) 4.474 5.644 ( -4.481 -3.291 3.147) 6.388 5.934 ( 6.093 5.880 4.294) 9.493 6.361 ( -2.704 -0.591 -6.814) 7.355 6.612 ( 1.628 -12.872 2.346) 13.185 6.854 ( 6.775 -2.513 -8.274) 10.985 7.162 ( -11.659 7.857 8.671) 16.518 8.326 ( -2.865 0.554 1.865) 3.463 9.694 ( 0.148 2.894 0.843) 3.018 12.633 ( -0.325 -0.373 0.006) 0.494 13.060 ( 1.793 0.840 0.238) 1.994 13.763 ( 10.092 4.183 4.022) 11.641 14.511 ( -4.282 -3.566 5.432) 7.782 14.879 ( -7.667 -0.331 -8.487) 11.442 16.359 ( 2.149 1.542 0.281) 2.660 ======================= Grid point 178 (82/140) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -1.925 -5.396 3.526) 6.727 0.991 ( 3.740 -2.590 3.925) 6.008 1.051 ( 2.887 -5.522 3.367) 7.082 1.117 ( 2.642 -5.270 -3.136) 6.677 1.295 ( -0.424 -5.375 0.523) 5.417 1.349 ( -0.977 -1.234 -1.374) 2.089 1.445 ( -5.572 -1.480 1.665) 6.000 1.575 ( -2.492 1.867 -1.159) 3.322 1.595 ( -1.327 -2.747 -1.243) 3.294 1.714 ( -0.448 -1.521 0.583) 1.689 1.810 ( -2.104 0.151 3.670) 4.233 1.942 ( 5.433 -2.623 4.545) 7.554 1.971 ( 3.801 -3.596 3.857) 6.501 2.140 ( -0.264 -3.327 -4.412) 5.532 2.193 ( -0.794 -3.697 -0.142) 3.784 2.306 ( 1.091 1.644 -2.197) 2.953 2.421 ( -6.561 3.900 3.888) 8.565 2.559 ( 1.996 1.414 -3.146) 3.985 2.734 ( 0.412 0.808 -4.043) 4.144 2.915 ( 0.792 -3.263 -0.538) 3.400 3.425 ( -2.538 -10.546 2.955) 11.242 3.470 ( -4.151 -6.772 -0.579) 7.964 3.619 ( 0.271 -11.242 0.284) 11.249 3.661 ( -0.209 -0.661 -0.102) 0.701 3.885 ( 1.225 -8.863 -1.970) 9.161 3.974 ( 0.233 -2.455 2.069) 3.219 4.125 ( 0.145 -0.438 2.761) 2.799 4.249 ( -2.152 -8.443 -0.598) 8.733 4.461 ( -2.443 -6.690 -6.364) 9.551 4.990 ( -0.587 -13.053 3.580) 13.548 5.246 ( -8.084 -5.364 2.507) 10.020 5.341 ( 0.371 -1.747 -2.740) 3.271 5.533 ( 4.074 -6.853 -2.750) 8.433 5.538 ( 2.299 -1.086 2.295) 3.425 5.749 ( -1.057 -8.961 7.945) 12.022 5.922 ( 4.307 -0.149 -5.743) 7.180 6.347 ( -2.070 -1.144 -5.309) 5.812 6.792 ( -0.231 -0.271 3.268) 3.287 6.893 ( 2.497 3.188 -5.824) 7.094 7.119 ( -0.154 -13.628 5.483) 14.690 8.287 ( -3.364 1.345 1.564) 3.946 9.629 ( 0.206 4.236 0.932) 4.342 12.640 ( -0.284 -0.674 0.013) 0.732 13.058 ( 2.485 1.292 0.094) 2.803 13.740 ( 6.103 6.177 3.751) 9.459 14.389 ( -6.121 8.410 4.363) 11.280 14.978 ( -4.163 -12.565 -6.311) 14.664 16.339 ( 2.438 2.625 0.282) 3.593 ======================= Grid point 179 (83/140) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -2.704 -1.404 5.721) 6.482 1.080 ( 0.840 -3.177 1.380) 3.565 1.150 ( 4.120 -3.894 2.454) 6.177 1.246 ( 1.859 -6.008 0.140) 6.290 1.358 ( -0.468 -1.966 -0.906) 2.215 1.394 ( -3.172 0.079 0.874) 3.292 1.445 ( 2.884 -4.172 -1.760) 5.369 1.500 ( -1.964 3.068 0.852) 3.741 1.621 ( -2.257 -1.606 -3.123) 4.174 1.647 ( -5.986 4.623 2.282) 7.900 1.761 ( -1.655 2.684 0.573) 3.205 1.979 ( 0.260 -0.219 -1.191) 1.238 2.140 ( 2.203 -4.223 5.159) 7.022 2.160 ( 3.545 1.666 -4.303) 5.819 2.209 ( 1.804 -0.088 3.358) 3.813 2.341 ( 1.197 -4.830 2.132) 5.413 2.410 ( -3.312 -4.007 2.091) 5.603 2.565 ( 2.228 -0.809 -3.833) 4.507 2.706 ( 0.444 1.610 -4.542) 4.839 2.971 ( 0.756 -2.055 -0.750) 2.314 3.501 ( -2.285 -2.557 1.333) 3.679 3.638 ( -1.351 -9.334 0.469) 9.443 3.663 ( -1.112 -1.454 1.641) 2.459 3.796 ( 0.575 -6.347 -0.456) 6.390 3.989 ( 0.415 -2.390 3.824) 4.528 4.045 ( -4.052 -4.355 -2.891) 6.614 4.213 ( 3.252 -6.439 0.164) 7.215 4.349 ( -1.226 -4.948 -0.824) 5.164 4.592 ( -1.647 -9.139 -3.869) 10.060 5.186 ( -3.021 -7.173 5.361) 9.451 5.257 ( -10.651 -3.500 5.606) 12.534 5.385 ( -1.182 -4.620 -1.531) 5.009 5.603 ( 5.611 -1.624 7.769) 9.720 5.708 ( 7.380 -7.265 -4.273) 11.203 5.898 ( 2.045 -3.843 0.977) 4.461 5.968 ( -2.306 -4.903 -7.640) 9.366 6.344 ( -1.003 -0.578 -0.926) 1.482 6.694 ( -1.937 4.608 0.286) 5.007 6.906 ( 3.500 -0.602 -7.293) 8.111 7.440 ( 1.940 -14.922 5.931) 16.174 8.230 ( -3.119 1.993 1.158) 3.878 9.555 ( 0.069 3.787 0.975) 3.911 12.652 ( -0.207 -0.733 0.031) 0.762 13.051 ( 1.793 1.413 0.113) 2.286 13.661 ( 2.340 6.170 3.031) 7.262 14.226 ( -0.997 6.113 1.856) 6.466 15.149 ( -5.408 -10.510 -2.772) 12.141 16.307 ( 2.410 2.873 0.218) 3.756 ======================= Grid point 180 (84/140) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -1.866 -0.560 8.015) 8.248 1.121 ( -0.312 -1.398 -0.644) 1.570 1.268 ( 2.331 -2.007 2.983) 4.284 1.280 ( -4.104 2.947 0.040) 5.052 1.364 ( 0.272 -1.942 1.582) 2.520 1.399 ( -1.209 2.149 0.257) 2.479 1.447 ( 3.023 -3.979 0.176) 5.000 1.515 ( -4.113 3.904 1.855) 5.967 1.581 ( 4.283 -4.212 -2.504) 6.508 1.612 ( -1.059 0.045 -1.910) 2.184 1.723 ( -1.142 -0.829 -0.906) 1.677 1.957 ( -1.723 1.417 -0.254) 2.246 2.113 ( 2.351 4.190 -1.209) 4.955 2.147 ( -2.664 0.717 0.540) 2.811 2.321 ( 6.048 -2.692 5.928) 8.887 2.416 ( -2.836 -2.458 3.315) 5.008 2.464 ( 0.058 -2.372 -0.614) 2.451 2.572 ( -0.148 1.355 -4.905) 5.091 2.698 ( 3.231 -0.925 -3.560) 4.895 2.997 ( 0.488 -0.330 -0.979) 1.143 3.510 ( -2.249 -0.525 0.788) 2.440 3.694 ( -0.720 -2.118 1.879) 2.921 3.769 ( -0.037 -4.795 0.534) 4.825 3.872 ( 1.745 -1.392 -0.759) 2.357 4.023 ( -2.452 -1.225 3.154) 4.179 4.067 ( -1.040 -1.189 -0.463) 1.646 4.287 ( -5.095 -2.567 -3.585) 6.738 4.465 ( 8.449 -3.423 -2.197) 9.377 4.712 ( 0.070 -4.244 -1.457) 4.488 5.208 ( -10.075 -1.237 6.632) 12.125 5.258 ( -1.601 -0.909 1.829) 2.595 5.487 ( -1.539 -6.686 2.519) 7.309 5.675 ( 0.018 -0.751 12.277) 12.300 5.853 ( 4.113 0.237 -2.007) 4.583 5.959 ( 1.573 -1.948 -9.452) 9.778 5.995 ( 3.122 -1.652 -2.908) 4.575 6.358 ( 2.288 -0.389 2.442) 3.369 6.633 ( -0.534 1.099 -3.540) 3.745 6.918 ( 0.473 -0.715 -7.837) 7.883 7.647 ( -1.921 -4.393 5.606) 7.377 8.191 ( -0.403 -0.128 1.177) 1.251 9.504 ( -0.180 1.572 0.918) 1.829 12.662 ( -0.114 -0.418 0.046) 0.436 13.035 ( 0.170 1.270 0.157) 1.291 13.588 ( 0.945 3.233 2.285) 4.070 14.149 ( 0.763 2.656 1.874) 3.339 15.264 ( -4.013 -6.512 -1.902) 7.882 16.277 ( 1.880 2.181 0.127) 2.882 ======================= Grid point 181 (85/140) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.284 -0.397 7.999) 8.014 1.091 ( -3.096 6.529 2.104) 7.526 1.159 ( -2.152 1.294 -0.365) 2.537 1.247 ( -0.794 6.260 8.209) 10.354 1.354 ( -1.024 0.442 -1.881) 2.186 1.421 ( -0.208 -1.748 -1.692) 2.442 1.488 ( 0.762 -1.777 -0.053) 1.934 1.546 ( 1.734 -3.276 -2.908) 4.711 1.616 ( 1.520 -0.372 0.305) 1.594 1.690 ( 5.076 -6.091 -0.566) 7.949 1.774 ( -0.626 -4.022 -0.152) 4.074 1.900 ( -1.672 3.544 0.534) 3.954 2.027 ( -1.962 5.064 -1.168) 5.555 2.114 ( 0.896 2.006 2.662) 3.451 2.373 ( 0.995 4.317 3.231) 5.483 2.393 ( -1.071 0.616 3.563) 3.771 2.487 ( -0.672 -0.684 -5.145) 5.233 2.546 ( 0.272 -0.691 -0.311) 0.805 2.738 ( 2.962 -0.488 -3.873) 4.900 2.987 ( 0.226 1.349 -1.116) 1.765 3.504 ( -1.857 -0.724 1.127) 2.290 3.715 ( -0.676 -0.225 0.926) 1.168 3.819 ( 0.654 -0.237 0.023) 0.696 3.882 ( 3.017 2.280 -0.776) 3.860 4.009 ( -4.349 0.171 1.659) 4.657 4.060 ( 0.246 1.979 0.546) 2.068 4.251 ( -3.655 1.211 -2.902) 4.821 4.543 ( 8.318 2.288 -5.196) 10.071 4.728 ( 1.793 3.232 -0.650) 3.753 5.135 ( -8.252 2.243 6.089) 10.498 5.256 ( 0.165 0.582 0.959) 1.134 5.583 ( 1.961 -1.832 2.169) 3.451 5.678 ( -3.790 1.622 11.999) 12.688 5.793 ( -0.851 4.743 -0.861) 4.895 5.870 ( -4.906 4.348 -4.202) 7.787 6.112 ( 11.009 0.243 -4.536) 11.909 6.406 ( 7.023 -0.554 1.002) 7.116 6.601 ( -1.801 1.020 -3.357) 3.944 6.915 ( -1.715 -1.504 -7.773) 8.100 7.578 ( -5.827 8.191 3.957) 10.803 8.239 ( 1.862 -3.037 2.000) 4.085 9.502 ( -0.398 -1.468 0.757) 1.699 12.664 ( -0.055 0.143 0.043) 0.159 13.013 ( -0.929 0.587 0.172) 1.112 13.569 ( -0.241 -0.133 1.831) 1.852 14.151 ( 0.825 -1.997 3.526) 4.135 15.311 ( -1.159 -1.051 -2.947) 3.336 16.261 ( 0.891 0.682 0.050) 1.123 ======================= Grid point 182 (86/140) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -0.884 9.451 7.137) 11.876 0.999 ( 0.428 2.905 7.031) 7.619 1.114 ( -2.313 2.690 2.347) 4.254 1.170 ( 0.297 1.764 -0.032) 1.789 1.319 ( -1.135 1.601 -1.381) 2.400 1.425 ( -0.622 0.375 -1.641) 1.795 1.534 ( 0.700 -1.983 -1.126) 2.385 1.620 ( 0.639 -4.170 -3.282) 5.345 1.626 ( 1.740 2.266 1.259) 3.122 1.740 ( -0.602 8.832 8.365) 12.180 1.842 ( 0.758 -1.880 -2.081) 2.905 1.891 ( 5.443 -6.106 -0.269) 8.184 1.921 ( -5.110 1.648 0.048) 5.370 2.083 ( 0.650 3.544 2.047) 4.144 2.265 ( 0.624 5.458 0.296) 5.502 2.379 ( -2.079 0.575 2.426) 3.246 2.480 ( 0.726 -0.513 -6.747) 6.805 2.570 ( -0.856 -0.888 3.614) 3.818 2.742 ( 2.037 1.226 -4.188) 4.815 2.950 ( 0.279 2.524 -1.088) 2.763 3.515 ( -1.256 -1.455 1.327) 2.336 3.691 ( -0.473 2.629 0.636) 2.746 3.771 ( 0.788 6.901 -0.507) 6.964 3.820 ( 1.926 6.641 -0.482) 6.931 3.963 ( -4.022 0.772 1.211) 4.271 3.988 ( 0.391 6.326 -1.105) 6.434 4.195 ( -1.158 1.479 -2.459) 3.094 4.487 ( 4.022 7.789 -6.044) 10.648 4.627 ( 3.488 9.146 -1.539) 9.909 5.014 ( -4.598 6.255 5.268) 9.382 5.247 ( 2.118 1.714 1.248) 2.996 5.561 ( -0.238 7.226 10.814) 13.008 5.579 ( -1.416 5.676 -2.784) 6.479 5.722 ( -1.079 4.203 2.113) 4.826 5.752 ( -2.649 1.795 -4.696) 5.683 6.103 ( 2.954 6.342 -1.098) 7.082 6.497 ( 12.092 -0.274 -2.811) 12.417 6.560 ( -4.495 -0.361 -1.734) 4.832 6.934 ( -1.980 -4.402 -3.801) 6.144 7.316 ( -5.677 14.558 2.708) 15.859 8.308 ( 0.959 -2.269 2.164) 3.279 9.550 ( -0.470 -3.690 0.583) 3.765 12.656 ( -0.057 0.547 0.026) 0.551 13.005 ( -0.772 -0.581 0.231) 0.993 13.580 ( -2.264 -1.501 1.254) 2.992 14.265 ( 1.092 -8.323 7.193) 11.055 15.257 ( 1.017 6.094 -6.143) 8.712 16.268 ( 0.093 -1.024 0.033) 1.029 ======================= Grid point 183 (87/140) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 3.511 7.733 9.895) 13.040 0.895 ( 0.305 9.652 7.872) 12.459 1.066 ( -2.369 1.836 -2.118) 3.670 1.139 ( -0.352 1.774 -6.551) 6.796 1.285 ( 0.968 1.734 1.523) 2.502 1.404 ( -1.185 0.662 -0.300) 1.390 1.456 ( -0.640 12.802 9.687) 16.067 1.545 ( -0.805 1.680 2.246) 2.919 1.659 ( 1.188 -0.194 -2.229) 2.533 1.715 ( -0.149 -2.377 0.470) 2.428 1.850 ( 0.759 1.017 0.876) 1.542 1.852 ( -1.877 3.796 -0.327) 4.247 1.928 ( -3.180 2.061 1.761) 4.178 2.086 ( 4.380 -1.140 -3.995) 6.037 2.205 ( 2.491 4.627 1.509) 5.467 2.399 ( -4.070 -6.417 0.026) 7.598 2.500 ( 2.484 -1.475 -4.869) 5.662 2.581 ( -3.082 -2.184 5.521) 6.690 2.723 ( 2.093 1.015 -3.919) 4.557 2.898 ( 0.512 3.088 -0.857) 3.245 3.516 ( -3.486 2.629 0.696) 4.421 3.585 ( -0.582 9.230 1.008) 9.303 3.594 ( -0.032 9.352 1.286) 9.440 3.694 ( 1.161 6.317 -0.514) 6.444 3.831 ( 0.299 9.195 -6.400) 11.207 3.931 ( -1.102 0.793 1.310) 1.887 4.170 ( 0.579 1.067 -0.178) 1.227 4.325 ( -1.060 8.409 -5.292) 9.992 4.469 ( 4.693 9.922 -3.668) 11.573 4.861 ( 0.564 9.189 4.302) 10.162 5.222 ( 3.914 4.568 1.947) 6.322 5.399 ( -4.698 6.887 6.024) 10.285 5.492 ( 2.553 5.109 -0.977) 5.794 5.576 ( -2.530 7.735 -2.803) 8.607 5.754 ( 2.543 0.002 0.591) 2.611 5.944 ( -5.390 7.602 -0.979) 9.371 6.518 ( -6.064 0.003 -2.465) 6.546 6.584 ( 11.296 0.976 -6.852) 13.248 6.980 ( 1.964 15.608 1.290) 15.784 7.082 ( -6.472 -11.345 5.049) 14.003 8.346 ( -0.507 -1.269 1.963) 2.392 9.623 ( -0.366 -4.151 0.563) 4.205 12.645 ( -0.067 0.542 0.010) 0.546 13.022 ( -0.199 -1.442 0.403) 1.510 13.589 ( -1.998 -1.295 0.926) 2.555 14.483 ( -0.942 -11.009 11.911) 16.247 15.084 ( 2.280 10.696 -11.343) 15.756 16.298 ( 0.156 -1.845 0.056) 1.852 ======================= Grid point 186 (88/140) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 7.275 0.000 9.939) 12.317 0.839 ( -1.017 -0.000 5.679) 5.770 0.907 ( 5.161 0.000 -8.918) 10.304 0.967 ( 5.855 0.000 2.239) 6.268 1.210 ( -3.757 -0.000 -0.824) 3.846 1.324 ( -5.896 -0.000 5.192) 7.856 1.353 ( -3.318 -0.000 2.415) 4.104 1.557 ( -3.987 -0.000 -2.896) 4.927 1.596 ( 1.167 0.000 3.316) 3.515 1.645 ( 7.507 0.000 3.617) 8.333 1.764 ( -3.227 -0.000 -1.766) 3.679 1.814 ( -0.734 -0.000 0.806) 1.090 1.980 ( 3.555 0.000 1.347) 3.802 2.012 ( 0.128 0.000 2.236) 2.239 2.100 ( 1.749 0.000 -1.975) 2.638 2.324 ( -4.295 -0.000 -0.592) 4.336 2.570 ( 0.111 0.000 -4.560) 4.561 2.654 ( -1.229 -0.000 -2.526) 2.809 2.814 ( 0.460 0.000 -0.198) 0.501 2.831 ( -6.866 -0.000 0.906) 6.925 3.074 ( -0.459 -0.000 -0.081) 0.466 3.302 ( 0.099 0.000 0.263) 0.281 3.358 ( -2.474 -0.000 0.315) 2.494 3.594 ( 0.800 0.000 -0.018) 0.800 3.755 ( 1.353 0.000 -1.729) 2.195 3.955 ( 0.475 0.000 2.812) 2.852 4.023 ( -0.705 -0.000 -0.345) 0.785 4.119 ( -2.551 -0.000 0.724) 2.652 4.496 ( -0.210 -0.000 0.044) 0.215 4.506 ( -3.541 -0.000 -5.651) 6.669 5.103 ( -5.572 -0.000 -0.370) 5.584 5.325 ( 1.291 0.000 -0.385) 1.347 5.340 ( 4.076 0.000 -0.057) 4.076 5.453 ( 4.374 0.000 0.051) 4.374 5.609 ( 0.144 0.000 1.352) 1.360 6.106 ( 9.131 0.000 9.184) 12.951 6.330 ( -1.711 -0.000 -7.522) 7.714 6.435 ( -1.546 -0.000 0.076) 1.547 6.875 ( 5.737 0.000 -7.648) 9.560 7.148 ( -13.245 -0.000 8.021) 15.485 8.311 ( -3.042 -0.000 1.877) 3.574 9.725 ( 0.155 0.000 0.860) 0.874 12.626 ( -0.418 -0.000 0.025) 0.418 13.089 ( 3.149 0.000 -0.022) 3.149 13.908 ( 8.538 0.000 6.947) 11.007 14.435 ( 0.229 0.000 -0.015) 0.230 14.792 ( -12.317 -0.000 -5.860) 13.640 16.395 ( 2.732 0.000 0.460) 2.770 ======================= Grid point 187 (89/140) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 2.700 -3.273 6.278) 7.577 0.949 ( 4.725 -7.754 5.153) 10.441 0.995 ( 5.104 -2.979 -1.206) 6.031 1.054 ( 6.131 -4.622 0.343) 7.686 1.188 ( -3.237 -2.459 -0.387) 4.084 1.314 ( -5.143 -1.389 2.359) 5.826 1.344 ( -4.764 -3.091 3.507) 6.674 1.532 ( -3.207 -1.315 -3.500) 4.925 1.581 ( -2.429 0.595 0.868) 2.647 1.686 ( -1.099 -0.696 -1.660) 2.109 1.799 ( -2.091 -2.750 1.430) 3.739 1.886 ( 7.859 -6.068 5.159) 11.189 1.993 ( 1.896 1.141 0.361) 2.242 2.063 ( 0.718 -3.300 0.906) 3.497 2.144 ( 3.307 -2.475 -0.536) 4.165 2.284 ( -3.611 -0.080 -0.446) 3.640 2.511 ( -2.884 5.661 -1.221) 6.470 2.598 ( -0.489 2.641 -3.486) 4.401 2.750 ( -1.307 2.051 -2.626) 3.579 2.855 ( 0.521 -3.348 -0.420) 3.414 3.181 ( -1.530 -10.590 0.198) 10.702 3.352 ( -3.665 -4.106 0.877) 5.573 3.417 ( 0.618 -8.731 0.015) 8.753 3.637 ( 0.782 -3.013 0.276) 3.125 3.769 ( -0.362 -2.153 -0.721) 2.299 3.957 ( -1.470 -0.249 3.007) 3.357 4.080 ( -1.185 -5.443 -1.271) 5.714 4.128 ( 1.128 -2.378 3.521) 4.396 4.372 ( -3.092 1.179 -4.232) 5.372 4.704 ( -3.909 -14.487 -0.022) 15.006 5.083 ( -9.060 -3.918 0.588) 9.889 5.327 ( 0.907 -0.225 -2.716) 2.872 5.432 ( 3.275 -5.444 -0.575) 6.379 5.539 ( 6.568 -3.722 -2.208) 7.866 5.643 ( 1.279 -2.934 5.113) 6.032 6.037 ( 2.929 9.148 2.362) 9.891 6.312 ( 1.058 -0.707 -6.375) 6.501 6.666 ( 3.295 -16.520 4.728) 17.496 6.906 ( 2.946 -1.373 -7.481) 8.156 7.013 ( -9.227 4.433 6.664) 12.215 8.283 ( -3.029 0.731 1.728) 3.563 9.701 ( 0.186 2.835 0.908) 2.982 12.627 ( -0.387 -0.434 0.031) 0.582 13.108 ( 3.773 1.106 -0.175) 3.936 13.913 ( 3.696 5.580 6.740) 9.499 14.450 ( -3.650 1.555 1.997) 4.442 14.731 ( -5.663 -6.427 -7.139) 11.151 16.404 ( 2.945 1.678 0.492) 3.425 ======================= Grid point 188 (90/140) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.076 -2.326 5.804) 6.253 1.052 ( 2.173 -1.475 2.622) 3.711 1.115 ( 3.746 -4.187 2.093) 5.995 1.165 ( 3.411 -4.512 -0.788) 5.711 1.296 ( -0.049 -5.128 0.361) 5.141 1.339 ( -2.235 -4.522 1.906) 5.393 1.364 ( -1.948 -3.309 0.004) 3.839 1.540 ( -1.706 1.447 -0.413) 2.275 1.544 ( -3.153 -2.689 -1.479) 4.400 1.661 ( -4.431 1.181 1.527) 4.834 1.814 ( 0.392 1.734 3.553) 3.973 1.982 ( -0.345 0.100 -1.979) 2.012 2.099 ( 0.301 -1.522 -0.287) 1.578 2.106 ( 5.080 -8.047 -0.628) 9.537 2.226 ( 4.151 -2.265 2.259) 5.241 2.307 ( -2.140 -4.517 1.856) 5.332 2.367 ( -0.223 5.828 1.824) 6.111 2.562 ( 0.107 0.430 -4.656) 4.677 2.718 ( -0.160 0.587 -4.507) 4.548 2.923 ( 0.348 -3.336 -0.651) 3.417 3.403 ( -1.943 -10.418 2.684) 10.932 3.410 ( -2.185 -7.791 -1.408) 8.213 3.616 ( -0.694 -9.553 0.129) 9.579 3.675 ( 1.482 -1.301 1.389) 2.412 3.866 ( -2.072 -8.964 -1.511) 9.324 3.960 ( -2.805 -1.317 3.242) 4.485 4.130 ( -2.200 -3.049 -1.327) 3.987 4.267 ( 4.373 -6.315 6.235) 9.893 4.396 ( -1.708 -7.548 -5.681) 9.600 4.947 ( -5.212 -14.218 2.643) 15.372 5.094 ( -9.967 -5.271 3.636) 11.847 5.335 ( 0.285 -0.955 -3.698) 3.830 5.569 ( 1.064 -5.826 2.895) 6.592 5.663 ( 10.261 -4.317 -6.362) 12.822 5.778 ( 0.064 -8.588 7.049) 11.111 5.920 ( -1.556 3.120 -5.361) 6.395 6.338 ( 3.668 -0.737 -3.064) 4.836 6.787 ( -1.806 5.749 4.129) 7.305 6.916 ( 2.347 0.791 -7.227) 7.640 7.132 ( -0.569 -19.616 5.851) 20.478 8.242 ( -2.474 1.507 1.505) 3.264 9.635 ( 0.089 4.286 0.934) 4.387 12.635 ( -0.287 -0.758 0.042) 0.811 13.106 ( 3.058 2.137 -0.161) 3.734 13.813 ( -0.182 7.314 5.086) 8.910 14.348 ( 1.272 6.436 -0.228) 6.565 14.868 ( -6.664 -12.443 -2.910) 14.412 16.385 ( 2.765 2.862 0.378) 3.998 ======================= Grid point 189 (91/140) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -2.368 -1.233 6.431) 6.963 1.095 ( 0.423 -1.419 2.311) 2.744 1.231 ( 3.860 -4.337 2.151) 6.192 1.267 ( 0.760 -3.230 -1.133) 3.506 1.316 ( -2.875 0.289 -1.924) 3.472 1.368 ( -0.393 -3.881 0.410) 3.923 1.482 ( 0.651 1.871 0.712) 2.105 1.510 ( 2.074 -5.316 0.478) 5.726 1.572 ( -1.781 1.362 0.846) 2.397 1.583 ( -1.866 0.383 1.562) 2.463 1.761 ( 0.639 4.243 3.273) 5.397 1.963 ( -1.659 0.721 -2.710) 3.258 2.107 ( -1.688 -0.901 -1.223) 2.271 2.217 ( 3.444 2.288 -2.338) 4.750 2.306 ( -5.220 -4.156 1.324) 6.803 2.329 ( 6.179 -3.651 7.275) 10.219 2.413 ( 1.366 -3.354 -1.149) 3.799 2.568 ( 0.507 -1.381 -3.103) 3.434 2.700 ( 0.608 0.221 -4.484) 4.531 2.974 ( 0.044 -2.106 -0.866) 2.278 3.462 ( -2.469 -2.961 0.721) 3.922 3.630 ( 0.034 -10.054 0.283) 10.058 3.658 ( -0.736 -1.138 1.705) 2.178 3.811 ( 1.347 -6.608 0.105) 6.745 3.960 ( -4.542 -2.349 1.073) 5.225 4.010 ( 0.006 -5.464 0.919) 5.541 4.171 ( -3.514 -4.221 -1.818) 5.785 4.431 ( 6.967 -6.005 0.265) 9.202 4.574 ( 0.886 -10.466 -0.641) 10.523 5.079 ( -8.699 -5.179 4.641) 11.137 5.169 ( -4.638 -7.838 5.414) 10.595 5.365 ( -0.621 -3.715 -1.891) 4.214 5.653 ( -1.886 -2.601 6.753) 7.479 5.815 ( -0.003 -3.231 -6.738) 7.472 5.917 ( 6.993 -6.758 -9.080) 13.305 5.935 ( 0.688 -4.797 4.026) 6.300 6.379 ( 4.040 -0.399 1.414) 4.299 6.676 ( 0.281 4.375 -0.780) 4.453 6.902 ( -0.163 0.357 -7.440) 7.450 7.472 ( -0.884 -14.173 5.861) 15.363 8.201 ( -0.798 1.321 1.445) 2.114 9.558 ( -0.128 3.915 0.903) 4.020 12.649 ( -0.156 -0.811 0.069) 0.829 13.078 ( 1.281 2.672 -0.099) 2.965 13.689 ( -0.445 6.011 3.503) 6.971 14.247 ( 2.604 6.197 0.013) 6.722 15.041 ( -5.735 -11.900 -1.353) 13.279 16.348 ( 2.104 3.252 0.200) 3.878 ======================= Grid point 190 (92/140) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -1.980 -1.907 7.419) 7.912 1.122 ( 0.405 -0.585 1.036) 1.257 1.209 ( -3.418 4.829 2.696) 6.502 1.315 ( 0.645 -1.331 -0.087) 1.481 1.360 ( 0.673 -3.656 -2.728) 4.611 1.399 ( -0.120 2.023 3.563) 4.099 1.467 ( -1.701 2.210 1.785) 3.311 1.507 ( 3.407 -2.639 -2.058) 4.776 1.610 ( 0.866 -1.609 0.588) 1.920 1.654 ( 4.209 -4.185 0.163) 5.938 1.715 ( 0.319 0.409 2.230) 2.289 1.920 ( -2.139 1.425 -2.512) 3.594 2.090 ( -1.350 1.665 0.761) 2.274 2.169 ( 1.202 3.539 0.407) 3.760 2.349 ( -4.464 -3.413 -0.159) 5.621 2.435 ( 4.283 -0.755 3.447) 5.549 2.450 ( -0.792 -1.481 -3.028) 3.462 2.570 ( 1.213 1.590 0.020) 2.000 2.718 ( 0.350 -2.119 -3.828) 4.389 2.996 ( -0.074 -0.408 -1.065) 1.143 3.478 ( -1.394 -0.794 0.847) 1.814 3.684 ( -1.001 -2.116 1.389) 2.722 3.776 ( 0.741 -4.960 -0.373) 5.029 3.906 ( 2.187 -2.142 -0.068) 3.062 3.957 ( -4.882 -1.311 1.309) 5.221 4.078 ( 0.838 -1.178 1.724) 2.250 4.212 ( -1.709 -2.489 -2.384) 3.847 4.579 ( 5.716 -3.681 -5.405) 8.686 4.737 ( 2.598 -4.429 1.629) 5.387 5.088 ( -6.244 -1.717 5.111) 8.250 5.248 ( -0.220 -2.258 1.942) 2.986 5.472 ( -1.888 -8.243 3.686) 9.225 5.666 ( -4.376 -0.414 6.472) 7.823 5.803 ( -3.261 -0.283 -6.710) 7.466 5.949 ( -1.264 4.238 5.694) 7.210 6.125 ( 7.345 -7.008 -6.871) 12.259 6.438 ( 5.130 -2.022 1.672) 5.762 6.627 ( 3.181 2.775 -4.149) 5.919 6.871 ( -2.302 0.102 -7.428) 7.777 7.616 ( -3.353 -1.623 4.796) 6.073 8.208 ( 1.121 -1.719 1.860) 2.770 9.503 ( -0.317 1.710 0.826) 1.926 12.660 ( -0.050 -0.462 0.098) 0.475 13.034 ( -0.138 2.228 -0.017) 2.233 13.608 ( 0.146 3.332 2.532) 4.188 14.170 ( 0.458 3.075 1.359) 3.393 15.198 ( -2.037 -8.391 -1.506) 8.765 16.304 ( 1.011 2.726 0.022) 2.907 ======================= Grid point 191 (93/140) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -1.147 -1.592 6.182) 6.486 1.077 ( -0.338 6.769 5.125) 8.497 1.133 ( -0.663 0.775 -0.036) 1.021 1.282 ( 0.833 6.592 7.369) 9.922 1.336 ( 0.246 1.360 -1.962) 2.400 1.420 ( 0.562 -1.328 -1.536) 2.107 1.485 ( -0.700 -2.896 -0.996) 3.142 1.550 ( 0.230 -1.625 -2.751) 3.204 1.646 ( 0.982 -1.246 1.022) 1.887 1.757 ( 0.937 -4.338 0.958) 4.541 1.781 ( 1.286 -4.546 -1.277) 4.894 1.884 ( 1.586 0.283 -0.770) 1.785 2.004 ( -0.124 7.348 2.742) 7.844 2.125 ( -1.764 1.331 1.004) 2.428 2.337 ( -2.945 1.494 -1.666) 3.699 2.421 ( 0.935 4.298 2.324) 4.975 2.461 ( 0.610 -1.086 -4.183) 4.364 2.565 ( 0.079 0.247 3.231) 3.241 2.741 ( -0.697 -1.160 -3.881) 4.110 2.986 ( 0.129 1.190 -1.170) 1.674 3.488 ( -0.077 -0.844 1.028) 1.332 3.706 ( -0.898 -0.400 0.976) 1.385 3.828 ( 0.541 -0.123 -0.836) 1.004 3.915 ( -2.506 2.204 0.106) 3.339 3.941 ( -0.397 0.190 1.188) 1.266 4.082 ( 1.291 1.993 2.088) 3.161 4.212 ( 0.268 1.258 -3.450) 3.682 4.609 ( 2.119 2.911 -6.425) 7.365 4.769 ( 2.175 3.338 0.137) 3.987 5.066 ( -1.707 1.552 4.852) 5.372 5.281 ( 2.791 -0.224 0.020) 2.801 5.589 ( -4.929 -2.942 3.113) 6.530 5.641 ( -1.306 0.671 4.177) 4.428 5.759 ( -0.818 1.132 -1.653) 2.164 5.817 ( -2.987 7.854 5.338) 9.955 6.204 ( -0.784 1.000 -0.501) 1.366 6.536 ( 6.215 -0.865 -8.459) 10.532 6.592 ( 5.257 1.732 0.830) 5.597 6.842 ( -3.379 -1.278 -6.392) 7.343 7.521 ( -2.141 9.227 3.817) 10.212 8.268 ( 0.257 -2.931 2.157) 3.648 9.499 ( -0.349 -1.373 0.738) 1.597 12.663 ( -0.035 0.160 0.099) 0.191 13.003 ( -0.139 0.827 0.110) 0.845 13.572 ( -0.532 1.047 1.873) 2.210 14.168 ( -0.707 -2.917 3.561) 4.657 15.290 ( 0.663 -1.918 -2.913) 3.550 16.270 ( 0.010 1.115 -0.079) 1.118 ======================= Grid point 192 (94/140) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 2.030 6.819 6.442) 9.597 1.044 ( 0.272 0.492 4.979) 5.011 1.079 ( -1.786 4.743 1.375) 5.251 1.185 ( 1.192 4.702 1.231) 5.004 1.317 ( 1.371 1.418 -0.581) 2.056 1.408 ( -0.471 1.340 -2.345) 2.742 1.522 ( -1.860 -2.077 -0.020) 2.788 1.598 ( -1.925 -4.028 -2.132) 4.947 1.653 ( 1.114 3.126 0.806) 3.415 1.776 ( -0.759 2.751 0.995) 3.023 1.836 ( -0.238 -2.592 1.034) 2.801 1.869 ( -0.035 5.004 5.225) 7.235 1.983 ( 4.180 -1.061 -0.228) 4.318 2.073 ( -0.703 0.226 -0.219) 0.771 2.272 ( 0.685 1.825 -3.637) 4.127 2.343 ( -2.786 3.798 1.774) 5.033 2.486 ( 2.223 -1.203 -3.282) 4.143 2.549 ( -4.016 0.625 4.500) 6.064 2.739 ( 0.137 0.019 -4.317) 4.319 2.953 ( 0.532 2.321 -1.017) 2.589 3.506 ( -0.223 -0.457 1.608) 1.686 3.679 ( -1.370 2.817 0.854) 3.247 3.780 ( 0.602 6.321 -0.419) 6.363 3.796 ( -4.610 6.334 -0.496) 7.849 3.931 ( 0.594 1.509 1.427) 2.160 4.022 ( 3.354 7.223 0.362) 7.972 4.172 ( -1.106 1.141 -2.952) 3.352 4.489 ( -0.766 8.578 -5.337) 10.132 4.663 ( 1.254 8.552 -3.010) 9.153 5.022 ( 3.351 5.336 5.649) 8.462 5.303 ( 4.317 1.083 -0.866) 4.534 5.495 ( -6.180 6.148 2.935) 9.198 5.594 ( -1.374 3.838 1.731) 4.429 5.669 ( -3.350 5.743 1.940) 6.926 5.771 ( 3.840 0.595 -0.018) 3.886 6.087 ( -4.979 8.552 1.377) 9.991 6.483 ( -2.607 2.226 -4.707) 5.823 6.691 ( 12.466 -0.035 -5.612) 13.671 6.856 ( -6.748 -6.431 -0.200) 9.323 7.293 ( 1.637 14.934 3.324) 15.387 8.314 ( -1.366 -1.942 2.016) 3.115 9.547 ( -0.216 -3.657 0.700) 3.730 12.656 ( -0.070 0.571 0.060) 0.578 13.004 ( 0.525 -0.589 0.261) 0.831 13.570 ( 0.343 -0.800 1.614) 1.834 14.284 ( -2.098 -9.329 6.522) 11.575 15.247 ( 0.699 6.532 -5.847) 8.795 16.270 ( 0.095 -1.109 -0.021) 1.113 ======================= Grid point 196 (95/140) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 7.119 0.000 8.373) 10.990 0.908 ( 5.461 0.000 9.660) 11.097 0.989 ( 8.511 0.000 -6.571) 10.753 1.068 ( 3.451 0.000 4.117) 5.372 1.156 ( -1.244 -0.000 -1.601) 2.028 1.226 ( -8.535 -0.000 5.397) 10.098 1.305 ( -3.861 -0.000 2.704) 4.714 1.480 ( -3.663 -0.000 -3.095) 4.795 1.564 ( -3.396 -0.000 0.644) 3.457 1.665 ( -2.741 -0.000 -1.837) 3.299 1.695 ( -3.751 -0.000 -3.283) 4.984 1.928 ( 6.764 0.000 2.144) 7.096 2.030 ( 1.874 0.000 2.458) 3.091 2.039 ( 2.631 0.000 1.977) 3.291 2.160 ( 5.842 0.000 1.185) 5.961 2.255 ( -3.536 -0.000 -0.875) 3.643 2.541 ( -1.502 -0.000 -1.796) 2.341 2.609 ( -2.570 -0.000 -4.344) 5.048 2.753 ( -2.850 -0.000 -2.324) 3.677 2.820 ( 0.395 0.000 -0.228) 0.456 3.070 ( 0.034 0.000 -0.292) 0.294 3.280 ( -2.320 -0.000 0.513) 2.376 3.342 ( -0.040 -0.000 0.216) 0.220 3.603 ( 0.283 0.000 -0.039) 0.285 3.758 ( -0.642 -0.000 0.995) 1.184 3.940 ( -3.443 -0.000 2.455) 4.228 4.013 ( -0.288 -0.000 -0.479) 0.559 4.122 ( 1.065 0.000 1.257) 1.647 4.393 ( -5.352 -0.000 -1.207) 5.486 4.493 ( -0.270 -0.000 0.086) 0.283 4.975 ( -8.518 -0.000 -0.096) 8.518 5.323 ( 0.082 0.000 -3.908) 3.909 5.406 ( 3.650 0.000 -0.072) 3.651 5.543 ( 4.457 0.000 1.333) 4.652 5.646 ( 3.367 0.000 -1.280) 3.603 6.237 ( -1.848 -0.000 3.819) 4.242 6.337 ( 9.049 0.000 0.278) 9.054 6.409 ( -1.535 -0.000 0.082) 1.538 6.899 ( -0.256 -0.000 -4.342) 4.350 7.014 ( -4.895 -0.000 3.285) 5.895 8.271 ( -2.483 -0.000 1.792) 3.062 9.731 ( 0.087 0.000 0.874) 0.878 12.619 ( -0.358 -0.000 0.046) 0.361 13.153 ( 4.393 0.000 -0.352) 4.408 13.985 ( -3.386 -0.000 8.393) 9.050 14.438 ( 0.193 0.000 -0.037) 0.196 14.629 ( -3.360 -0.000 -6.663) 7.462 16.445 ( 2.852 0.000 0.627) 2.920 ======================= Grid point 197 (96/140) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 2.998 0.300 7.831) 8.391 1.048 ( 5.002 -3.793 1.315) 6.413 1.090 ( 5.140 -1.544 4.101) 6.754 1.145 ( 0.661 -0.293 -0.597) 0.938 1.166 ( 4.637 -8.386 2.088) 9.807 1.216 ( -6.611 -4.902 3.455) 8.926 1.296 ( -2.808 -2.156 1.413) 3.811 1.464 ( -3.154 -1.833 -2.694) 4.535 1.536 ( -3.318 -0.186 0.737) 3.404 1.644 ( -1.300 -0.124 -0.627) 1.449 1.760 ( -2.478 -7.787 -0.799) 8.211 1.950 ( -1.760 -0.043 -0.636) 1.872 2.063 ( 4.675 -1.058 0.386) 4.808 2.083 ( 0.709 -1.133 -0.521) 1.434 2.235 ( 2.304 -2.785 3.054) 4.732 2.241 ( 3.635 -0.618 0.994) 3.819 2.474 ( -1.872 5.265 1.574) 5.805 2.561 ( -1.775 1.101 -5.308) 5.704 2.714 ( -1.438 0.784 -4.625) 4.907 2.859 ( 0.195 -3.265 -0.468) 3.304 3.169 ( -0.233 -10.013 -0.046) 10.016 3.305 ( -2.183 -3.739 0.364) 4.345 3.423 ( -0.075 -8.497 0.409) 8.507 3.655 ( 1.196 -4.568 0.214) 4.727 3.746 ( -2.048 -0.200 1.374) 2.475 3.919 ( -3.861 -0.666 2.282) 4.534 4.058 ( -0.791 -3.426 -0.287) 3.528 4.166 ( 0.941 -5.472 1.286) 5.699 4.339 ( 1.415 0.655 0.150) 1.566 4.645 ( -2.960 -13.194 0.668) 13.538 4.940 ( -8.132 -3.356 1.321) 8.896 5.317 ( -0.078 -0.321 -3.953) 3.967 5.480 ( 2.107 -4.649 0.155) 5.107 5.619 ( 1.773 -5.139 0.858) 5.503 5.694 ( 4.587 -2.478 -2.686) 5.864 6.029 ( -3.260 10.915 0.756) 11.416 6.370 ( 6.914 -0.142 -1.237) 7.025 6.739 ( 1.786 -21.113 5.110) 21.796 6.864 ( -4.018 1.957 0.475) 4.495 6.957 ( 0.291 3.242 -2.977) 4.411 8.250 ( -1.580 0.777 1.707) 2.452 9.706 ( 0.002 2.805 0.874) 2.938 12.621 ( -0.246 -0.466 0.050) 0.529 13.171 ( 3.612 1.683 -0.351) 4.000 13.915 ( -5.401 4.349 6.493) 9.499 14.457 ( 4.247 1.024 -1.055) 4.494 14.629 ( -4.679 -5.061 -3.594) 7.773 16.451 ( 2.309 1.747 0.559) 2.949 ======================= Grid point 198 (97/140) ======================= q-point: (-0.44 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -1.250 0.438 5.443) 5.602 1.088 ( 0.536 -0.377 4.040) 4.093 1.179 ( -0.194 -3.528 0.834) 3.631 1.214 ( 4.994 -3.954 -0.405) 6.382 1.265 ( -3.432 -4.824 2.064) 6.270 1.307 ( 0.905 -1.077 -2.791) 3.126 1.398 ( 2.131 -8.202 3.442) 9.147 1.496 ( -1.780 -3.394 -0.733) 3.902 1.516 ( -0.253 0.157 -0.022) 0.299 1.631 ( -0.413 1.329 2.267) 2.660 1.846 ( 1.376 0.695 4.819) 5.060 1.929 ( -3.893 -1.446 -2.351) 4.772 2.077 ( -0.506 -0.985 -3.085) 3.278 2.147 ( -2.056 -5.051 -1.625) 5.691 2.288 ( 1.893 -0.583 -0.006) 1.980 2.337 ( 4.288 -1.656 6.043) 7.592 2.387 ( 1.440 0.692 0.160) 1.606 2.530 ( -2.113 -0.767 -2.855) 3.634 2.690 ( -0.531 -0.163 -6.060) 6.085 2.921 ( -0.097 -3.215 -0.576) 3.268 3.366 ( -2.359 -5.657 1.442) 6.296 3.406 ( 1.179 -12.769 -1.024) 12.864 3.605 ( -0.519 -8.398 0.391) 8.424 3.708 ( 1.113 -1.310 1.916) 2.574 3.829 ( -1.223 -9.221 -0.685) 9.327 3.917 ( -2.899 -2.102 2.181) 4.193 4.098 ( -0.361 -2.081 1.474) 2.576 4.355 ( -0.514 -11.139 -3.693) 11.746 4.392 ( 5.935 -4.588 3.355) 8.217 4.877 ( -3.581 -12.694 2.341) 13.396 4.973 ( -6.623 -6.707 4.712) 10.538 5.320 ( -0.134 -1.007 -3.564) 3.706 5.576 ( -1.602 -4.551 1.667) 5.104 5.756 ( 2.383 -7.063 -4.018) 8.468 5.796 ( -1.539 -3.312 2.921) 4.677 5.881 ( 2.225 -0.397 -5.924) 6.341 6.427 ( 5.846 0.529 2.478) 6.371 6.774 ( -0.506 4.647 1.527) 4.917 6.898 ( -0.469 1.779 -8.608) 8.802 7.153 ( 0.002 -20.065 6.228) 21.010 8.226 ( -0.283 1.305 1.570) 2.061 9.639 ( -0.126 4.338 0.869) 4.426 12.632 ( -0.090 -0.802 0.054) 0.809 13.146 ( 1.595 3.139 -0.281) 3.532 13.794 ( -3.033 5.539 4.749) 7.902 14.408 ( 4.050 7.614 -1.857) 8.821 14.758 ( -4.251 -12.865 -0.871) 13.577 16.422 ( 1.311 2.993 0.363) 3.288 ======================= Grid point 199 (98/140) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -1.893 -1.085 6.162) 6.537 1.114 ( 0.227 -1.107 4.213) 4.362 1.238 ( -1.139 -3.142 -1.488) 3.658 1.267 ( -1.829 0.625 -2.600) 3.239 1.320 ( 3.628 -2.581 0.869) 4.536 1.350 ( -1.967 -3.395 0.887) 4.022 1.498 ( 1.318 -0.831 -0.592) 1.667 1.532 ( 2.067 -1.275 0.163) 2.434 1.569 ( 0.069 -2.978 -0.998) 3.141 1.610 ( 1.801 -0.088 4.792) 5.120 1.800 ( 1.283 4.623 5.236) 7.101 1.919 ( -0.927 0.462 -2.587) 2.787 2.089 ( -0.696 -0.542 -0.464) 0.997 2.201 ( -7.454 -4.273 0.561) 8.611 2.257 ( 1.983 1.828 -0.905) 2.845 2.407 ( 1.336 -2.163 -5.433) 5.998 2.451 ( 4.017 -2.020 5.655) 7.225 2.554 ( -3.042 -3.516 1.311) 4.830 2.681 ( 0.230 -0.278 -6.084) 6.094 2.969 ( -0.220 -2.053 -0.665) 2.169 3.438 ( -0.711 -3.303 0.834) 3.481 3.640 ( 1.385 -9.196 -0.477) 9.312 3.659 ( 0.526 -1.602 1.066) 1.995 3.821 ( -1.290 -6.853 1.000) 7.044 3.909 ( -1.529 -1.940 1.352) 2.816 4.021 ( 1.480 -6.637 0.272) 6.806 4.145 ( 0.564 -2.754 0.313) 2.829 4.487 ( 0.695 -7.321 -5.923) 9.442 4.624 ( 3.744 -10.072 2.692) 11.077 5.003 ( -2.316 -4.719 5.026) 7.273 5.134 ( -2.080 -10.595 7.031) 12.885 5.348 ( -0.548 -3.349 -1.289) 3.630 5.621 ( -4.278 -2.226 3.730) 6.097 5.754 ( -1.455 0.003 -5.638) 5.823 5.918 ( -1.615 -7.957 -0.746) 8.153 6.016 ( 2.767 -5.964 -3.493) 7.445 6.447 ( 2.154 0.268 4.996) 5.447 6.730 ( 7.687 3.455 -3.202) 9.016 6.839 ( -3.640 0.634 -8.792) 9.536 7.472 ( -1.363 -12.660 5.705) 13.953 8.210 ( 0.728 0.668 1.418) 1.728 9.558 ( -0.237 4.007 0.853) 4.104 12.648 ( 0.048 -0.836 0.067) 0.840 13.088 ( -0.056 3.403 -0.161) 3.407 13.690 ( -0.771 4.904 3.570) 6.115 14.270 ( -0.980 7.181 -0.260) 7.252 14.990 ( 1.080 -12.598 -1.060) 12.688 16.367 ( -0.008 3.412 0.165) 3.416 ======================= Grid point 200 (99/140) ======================= q-point: (-0.22 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -2.191 -2.241 6.943) 7.617 1.141 ( 0.955 -0.141 2.207) 2.409 1.197 ( 0.692 4.820 2.217) 5.350 1.289 ( -1.688 -3.061 -2.381) 4.229 1.386 ( -2.705 -3.354 0.586) 4.348 1.388 ( 2.242 -1.586 0.506) 2.793 1.473 ( 1.115 5.519 2.364) 6.107 1.548 ( 3.138 -0.697 -4.048) 5.169 1.605 ( -2.134 -2.220 0.807) 3.184 1.695 ( 0.068 -4.531 -0.032) 4.532 1.754 ( 2.092 1.927 2.392) 3.716 1.899 ( 1.732 0.630 -1.780) 2.562 2.082 ( -1.685 0.174 2.540) 3.053 2.157 ( -1.851 3.686 1.215) 4.300 2.282 ( -2.689 -3.023 -1.920) 4.478 2.434 ( 1.353 -1.183 -3.703) 4.116 2.502 ( 1.411 0.908 2.347) 2.885 2.576 ( -2.199 -0.453 4.014) 4.599 2.685 ( -0.742 -1.733 -5.712) 6.016 2.989 ( -0.127 -0.515 -0.791) 0.952 3.480 ( 1.058 -1.178 0.751) 1.752 3.683 ( 0.422 -1.268 1.381) 1.922 3.789 ( 1.173 -4.590 -1.022) 4.847 3.879 ( -3.978 -1.774 1.351) 4.560 3.949 ( 1.647 -1.621 1.171) 2.591 4.103 ( 1.189 -0.958 2.631) 3.042 4.209 ( 2.404 -2.361 -3.866) 5.128 4.586 ( -1.769 -3.967 -6.164) 7.540 4.778 ( 1.042 -3.628 0.085) 3.775 5.076 ( 2.538 -1.991 5.970) 6.786 5.281 ( 3.303 -3.270 1.517) 4.889 5.454 ( -2.990 -7.801 7.843) 11.459 5.620 ( -3.145 -1.349 1.923) 3.926 5.747 ( -0.384 -0.667 -4.716) 4.779 5.941 ( -2.372 5.033 5.806) 8.042 6.106 ( -5.285 -6.634 -3.642) 9.230 6.526 ( 4.607 -4.383 0.145) 6.360 6.684 ( 0.742 5.242 -6.652) 8.502 6.814 ( 3.023 -0.156 -7.014) 7.639 7.604 ( -0.347 -1.093 5.327) 5.449 8.224 ( -0.186 -1.607 1.374) 2.122 9.502 ( -0.229 1.774 0.855) 1.983 12.661 ( 0.077 -0.425 0.077) 0.439 13.032 ( -0.074 2.228 0.043) 2.229 13.610 ( -1.119 3.416 2.488) 4.372 14.161 ( -2.187 2.546 1.643) 3.737 15.205 ( 3.566 -8.022 -1.727) 8.948 16.303 ( -1.122 2.739 0.043) 2.961 ======================= Grid point 201 (100/140) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -2.839 -1.759 5.816) 6.707 1.115 ( 2.370 5.839 4.483) 7.734 1.135 ( 0.650 1.670 -0.568) 1.880 1.317 ( 0.442 2.430 4.769) 5.371 1.350 ( 1.394 3.483 0.404) 3.774 1.424 ( 0.565 -0.397 -1.493) 1.646 1.457 ( -2.303 -3.388 -0.928) 4.201 1.535 ( -0.102 1.180 -3.727) 3.911 1.645 ( -1.819 -3.459 1.586) 4.218 1.724 ( -3.618 -1.525 -3.711) 5.402 1.778 ( -0.084 -1.988 -1.623) 2.568 1.957 ( 5.548 -3.793 0.121) 6.722 2.059 ( 3.676 7.345 4.292) 9.268 2.067 ( -4.103 0.233 3.337) 5.294 2.287 ( -2.420 -0.159 -3.188) 4.006 2.427 ( -1.006 4.520 2.114) 5.090 2.479 ( 2.512 -0.136 -2.738) 3.719 2.557 ( -2.180 1.628 4.378) 5.154 2.704 ( -0.867 -2.070 -5.246) 5.706 2.985 ( 0.320 0.870 -0.850) 1.258 3.508 ( 1.551 -0.434 0.976) 1.883 3.697 ( -0.722 0.370 1.445) 1.657 3.823 ( -1.773 1.457 -0.324) 2.318 3.855 ( -1.787 1.186 0.237) 2.158 3.971 ( 1.624 1.036 1.909) 2.712 4.116 ( 1.094 0.618 3.067) 3.315 4.219 ( 2.961 3.222 -5.428) 6.972 4.562 ( -4.222 2.410 -5.642) 7.448 4.776 ( -0.778 3.534 -2.086) 4.177 5.135 ( 5.878 1.156 6.647) 8.949 5.347 ( 5.602 -0.331 -1.028) 5.705 5.506 ( -6.890 -0.282 8.350) 10.829 5.612 ( -3.760 1.757 -2.958) 5.096 5.782 ( 0.932 -0.606 4.584) 4.717 5.800 ( 1.091 5.730 2.832) 6.484 6.127 ( -5.503 -0.034 -0.582) 5.533 6.538 ( -2.319 5.798 -8.454) 10.510 6.654 ( -1.162 -5.935 0.348) 6.057 6.829 ( 7.112 1.834 -7.656) 10.609 7.547 ( 2.613 8.691 5.074) 10.397 8.259 ( -2.241 -2.513 1.445) 3.664 9.498 ( -0.100 -1.358 0.878) 1.620 12.663 ( -0.007 0.229 0.060) 0.237 13.010 ( 0.800 0.541 0.238) 0.994 13.566 ( -0.851 0.432 1.875) 2.104 14.158 ( -1.977 -3.424 3.360) 5.188 15.307 ( 2.239 -0.156 -2.866) 3.641 16.261 ( -0.862 0.524 0.048) 1.010 ======================= Grid point 206 (101/140) ======================= q-point: (-0.56 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -2.466 -0.000 9.125) 9.453 1.020 ( 5.173 0.000 5.400) 7.478 1.083 ( -7.003 -0.000 4.041) 8.085 1.130 ( 5.586 0.000 5.434) 7.793 1.134 ( 7.361 0.000 -1.805) 7.579 1.193 ( 4.408 0.000 0.076) 4.409 1.252 ( -2.921 -0.000 1.505) 3.286 1.416 ( -2.587 -0.000 -3.159) 4.083 1.509 ( -2.495 -0.000 1.011) 2.692 1.620 ( -3.558 -0.000 -3.392) 4.916 1.631 ( -1.313 -0.000 -2.102) 2.478 1.941 ( -1.947 -0.000 0.771) 2.094 2.067 ( -2.268 -0.000 -1.656) 2.808 2.079 ( 1.310 0.000 1.744) 2.182 2.235 ( 3.191 0.000 2.029) 3.782 2.285 ( 6.542 0.000 1.386) 6.687 2.510 ( -3.438 -0.000 0.798) 3.529 2.546 ( -1.343 -0.000 -4.290) 4.496 2.700 ( -1.843 -0.000 -4.919) 5.253 2.825 ( 0.309 0.000 -0.310) 0.437 3.069 ( -0.122 -0.000 -0.165) 0.205 3.253 ( -0.674 -0.000 0.006) 0.674 3.341 ( -0.500 -0.000 0.725) 0.881 3.604 ( -0.040 -0.000 -0.056) 0.069 3.752 ( -0.428 -0.000 1.793) 1.843 3.886 ( -3.367 -0.000 1.785) 3.811 4.010 ( 0.211 0.000 -0.621) 0.656 4.132 ( 0.400 0.000 2.392) 2.426 4.374 ( 1.921 0.000 -0.186) 1.930 4.489 ( -0.180 -0.000 0.132) 0.223 4.852 ( -6.195 -0.000 1.735) 6.433 5.305 ( -0.188 -0.000 -3.887) 3.891 5.450 ( 1.459 0.000 -0.068) 1.461 5.568 ( -2.346 -0.000 2.456) 3.396 5.705 ( 5.344 0.000 -6.376) 8.319 6.186 ( -4.669 -0.000 4.363) 6.390 6.390 ( -0.677 -0.000 0.087) 0.682 6.511 ( 9.464 0.000 3.292) 10.020 6.853 ( -2.789 -0.000 -1.941) 3.398 6.995 ( 0.849 0.000 -1.388) 1.627 8.252 ( -0.525 -0.000 1.682) 1.762 9.735 ( -0.110 -0.000 0.836) 0.843 12.615 ( -0.130 -0.000 0.051) 0.140 13.214 ( 2.608 0.000 -0.422) 2.642 13.917 ( -5.706 -0.000 6.070) 8.331 14.440 ( 0.065 0.000 -0.044) 0.078 14.605 ( 1.460 0.000 -4.136) 4.386 16.485 ( 1.483 0.000 0.566) 1.588 ======================= Grid point 207 (102/140) ======================= q-point: (-0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -1.796 1.588 6.034) 6.493 1.054 ( -7.952 -4.666 3.539) 9.876 1.112 ( -0.842 -0.956 3.681) 3.895 1.191 ( 2.638 -0.243 -0.000) 2.649 1.221 ( 7.102 -1.539 4.043) 8.316 1.268 ( 1.024 -6.317 2.916) 7.032 1.287 ( 5.687 -3.742 -2.090) 7.121 1.416 ( -1.525 -2.768 -1.480) 3.490 1.513 ( 1.052 -1.024 0.940) 1.743 1.621 ( -2.190 -1.082 -1.470) 2.851 1.713 ( -2.551 -10.490 -1.470) 10.895 1.921 ( -1.822 0.592 2.137) 2.870 2.030 ( -4.944 -0.099 -1.187) 5.086 2.102 ( 0.767 -0.653 -0.076) 1.010 2.276 ( 1.888 -1.592 0.155) 2.475 2.352 ( 4.548 -1.406 3.074) 5.666 2.444 ( -1.617 3.330 0.272) 3.712 2.512 ( -1.919 1.716 -1.925) 3.215 2.672 ( -0.305 0.238 -6.473) 6.484 2.860 ( 0.139 -3.030 -0.421) 3.062 3.165 ( -0.481 -9.842 0.177) 9.855 3.292 ( 0.721 -3.724 -0.230) 3.800 3.419 ( -0.610 -8.511 0.795) 8.569 3.666 ( -0.343 -6.502 -0.088) 6.512 3.739 ( 1.407 1.552 1.445) 2.545 3.875 ( -2.014 -0.883 2.064) 3.016 4.064 ( 1.157 -3.812 1.632) 4.305 4.180 ( 1.014 -4.840 0.657) 4.988 4.386 ( 2.975 -0.834 -2.252) 3.823 4.615 ( -1.150 -11.751 0.788) 11.833 4.847 ( -4.017 -3.290 4.719) 7.017 5.299 ( -0.077 -0.394 -3.641) 3.663 5.492 ( -0.746 -3.276 0.114) 3.362 5.599 ( -3.882 -5.872 1.813) 7.269 5.758 ( 4.428 -2.888 -6.376) 8.282 5.982 ( -2.341 10.613 1.714) 11.003 6.479 ( 4.458 -1.796 3.158) 5.751 6.735 ( -1.247 -10.780 -1.743) 10.991 6.855 ( 0.421 -7.186 2.369) 7.578 6.960 ( 1.953 4.259 -2.947) 5.535 8.249 ( 0.578 0.719 1.480) 1.744 9.708 ( -0.194 2.798 0.835) 2.927 12.620 ( 0.028 -0.486 0.043) 0.488 13.205 ( 0.251 2.109 -0.413) 2.164 13.865 ( -1.680 3.299 5.582) 6.698 14.526 ( -3.107 -7.602 -0.403) 8.222 14.556 ( 3.938 4.206 -3.148) 6.566 16.476 ( 0.317 1.859 0.400) 1.928 ======================= Grid point 208 (103/140) ======================= q-point: (-0.33 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -1.082 0.733 5.627) 5.777 1.095 ( -2.238 -1.884 4.982) 5.777 1.129 ( -4.854 -5.389 1.129) 7.340 1.217 ( -1.073 -1.825 -3.204) 3.840 1.316 ( 4.559 -1.799 -0.310) 4.911 1.332 ( 4.055 -0.229 -0.915) 4.164 1.432 ( 0.552 -6.105 2.745) 6.716 1.488 ( 0.617 -4.599 1.860) 4.999 1.543 ( 2.835 -0.235 -2.604) 3.857 1.635 ( -0.380 -1.024 1.698) 2.019 1.866 ( -2.022 -6.360 -0.121) 6.675 1.890 ( 0.072 2.774 5.675) 6.317 2.028 ( -4.038 -4.850 -1.469) 6.479 2.092 ( -2.547 0.967 -1.815) 3.273 2.309 ( -1.212 0.310 2.231) 2.558 2.362 ( -0.307 -1.203 -1.439) 1.901 2.460 ( -2.020 0.741 0.895) 2.330 2.467 ( 3.192 -2.651 0.699) 4.208 2.667 ( 1.047 -0.611 -6.803) 6.910 2.918 ( -0.011 -3.031 -0.430) 3.061 3.344 ( -0.804 -6.929 1.230) 7.083 3.435 ( 2.737 -11.654 -1.136) 12.025 3.605 ( 0.109 -9.537 0.620) 9.557 3.717 ( -0.455 -0.534 1.458) 1.618 3.829 ( 1.094 -6.869 -0.091) 6.956 3.911 ( 1.530 -4.422 1.647) 4.961 4.131 ( 2.309 -1.001 3.430) 4.254 4.311 ( -2.114 -8.810 -6.029) 10.882 4.485 ( 3.785 -7.663 -0.452) 8.559 4.862 ( 0.257 -13.516 3.075) 13.864 4.928 ( -1.599 -6.930 8.935) 11.420 5.307 ( 0.270 -1.168 -3.008) 3.238 5.537 ( -3.304 -3.089 1.126) 4.661 5.707 ( -5.605 -7.911 0.563) 9.711 5.796 ( 2.390 2.069 -4.712) 5.674 5.908 ( 1.138 -5.153 -2.412) 5.802 6.507 ( 1.600 2.296 6.330) 6.921 6.769 ( -2.059 -1.603 -8.128) 8.536 6.878 ( 4.440 5.329 -4.010) 8.012 7.178 ( 0.011 -18.438 5.503) 19.241 8.240 ( 1.160 1.272 1.125) 2.056 9.639 ( -0.242 4.352 0.844) 4.440 12.633 ( 0.183 -0.816 0.020) 0.837 13.147 ( -1.463 3.246 -0.286) 3.572 13.794 ( 1.157 5.401 4.990) 7.444 14.386 ( -5.938 7.428 -1.262) 9.593 14.776 ( 6.635 -12.628 -1.520) 14.345 16.425 ( -1.099 3.174 0.227) 3.367 ======================= Grid point 209 (104/140) ======================= q-point: (-0.22 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -1.086 -0.582 6.703) 6.815 1.131 ( -1.183 -2.636 6.208) 6.847 1.200 ( -1.462 -3.224 -4.038) 5.370 1.231 ( -3.342 -3.745 -1.401) 5.211 1.321 ( 1.669 1.748 -1.129) 2.667 1.393 ( 3.460 -1.104 0.957) 3.755 1.504 ( -1.177 -2.149 1.451) 2.847 1.558 ( -0.417 -1.294 -2.458) 2.809 1.590 ( 4.246 -2.068 -0.792) 4.789 1.635 ( 0.326 0.964 1.182) 1.560 1.825 ( 0.195 3.258 3.435) 4.738 1.938 ( 2.656 0.484 0.226) 2.709 2.036 ( -7.520 -0.970 0.186) 7.585 2.105 ( -2.533 -5.587 0.651) 6.169 2.276 ( 0.595 2.295 1.911) 3.045 2.422 ( -1.139 -4.662 -3.256) 5.800 2.438 ( -3.348 -1.243 0.816) 3.663 2.547 ( 2.240 -1.889 3.734) 4.746 2.673 ( 1.555 -0.085 -6.766) 6.943 2.964 ( -0.097 -1.944 -0.469) 2.003 3.444 ( 0.942 -3.862 1.088) 4.121 3.668 ( 2.147 -9.666 -1.103) 9.963 3.689 ( 2.537 -0.049 0.850) 2.676 3.788 ( -2.459 -5.690 1.320) 6.338 3.913 ( 0.557 -3.385 1.827) 3.886 4.069 ( 3.903 -5.976 1.453) 7.285 4.167 ( 1.808 -2.086 -2.329) 3.611 4.436 ( -3.284 -7.758 -4.930) 9.761 4.668 ( 0.929 -8.311 -2.296) 8.672 5.049 ( 4.156 -5.590 7.672) 10.363 5.163 ( 0.845 -12.889 9.519) 16.045 5.345 ( 0.794 -3.357 0.354) 3.468 5.554 ( -4.245 -2.153 1.027) 4.869 5.735 ( 1.161 -0.318 -3.678) 3.870 5.873 ( -2.204 -8.742 -5.095) 10.356 5.991 ( -3.673 -2.017 2.596) 4.929 6.500 ( 1.611 -0.427 5.312) 5.567 6.707 ( -6.630 1.940 -11.322) 13.263 6.872 ( 9.488 1.504 -4.726) 10.706 7.481 ( -0.691 -12.495 5.835) 13.807 8.226 ( 0.606 1.193 0.699) 1.509 9.558 ( -0.210 4.000 0.870) 4.099 12.651 ( 0.231 -0.795 0.001) 0.828 13.076 ( -1.313 2.757 -0.021) 3.054 13.697 ( -0.351 6.204 3.507) 7.136 14.213 ( -4.866 5.303 0.925) 7.256 15.064 ( 7.643 -11.358 -2.105) 13.851 16.348 ( -2.240 3.453 0.162) 4.119 ======================= Grid point 210 (105/140) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -1.964 -1.304 7.459) 7.822 1.162 ( 0.610 0.903 0.265) 1.121 1.220 ( -0.627 -0.887 1.758) 2.066 1.280 ( 2.263 -0.986 1.026) 2.673 1.322 ( -4.520 -4.668 -0.851) 6.553 1.425 ( 1.826 0.170 0.271) 1.854 1.496 ( 0.400 4.393 1.634) 4.704 1.554 ( -4.201 -1.859 0.939) 4.689 1.587 ( 3.906 2.624 -5.079) 6.923 1.659 ( -2.437 -2.363 -2.986) 4.521 1.787 ( 1.070 2.531 -0.370) 2.773 1.946 ( 3.597 -1.295 -0.566) 3.865 2.016 ( -6.040 -1.571 2.912) 6.887 2.178 ( 0.778 -2.056 2.611) 3.413 2.242 ( -0.494 1.690 1.183) 2.121 2.444 ( -2.865 -1.199 3.295) 4.528 2.478 ( 0.258 -2.132 -2.749) 3.488 2.579 ( 0.540 0.298 2.593) 2.665 2.669 ( 1.641 0.196 -6.632) 6.835 2.987 ( 0.134 -0.667 -0.605) 0.910 3.505 ( 1.234 -1.560 0.868) 2.171 3.706 ( 1.107 0.218 1.527) 1.899 3.804 ( 0.852 -3.240 -0.694) 3.421 3.835 ( -1.423 -1.663 0.733) 2.308 3.980 ( 1.370 -1.982 2.224) 3.279 4.127 ( -0.293 0.013 2.304) 2.322 4.256 ( 5.986 -2.573 -5.166) 8.315 4.497 ( -5.502 -3.322 -4.675) 7.948 4.767 ( -1.239 -2.906 -3.007) 4.362 5.180 ( 4.648 -2.334 6.422) 8.264 5.350 ( 1.282 -4.933 4.140) 6.566 5.441 ( -2.142 -3.414 11.605) 12.285 5.580 ( 0.500 -2.673 -4.342) 5.123 5.762 ( 2.620 -1.838 -0.609) 3.258 5.928 ( -1.421 5.430 5.289) 7.712 6.003 ( -3.395 -7.809 -4.334) 9.555 6.526 ( -9.145 -0.016 0.180) 9.147 6.611 ( 2.457 0.333 -8.387) 8.746 6.906 ( 7.294 1.440 -7.226) 10.368 7.636 ( 0.600 -2.790 6.128) 6.760 8.214 ( -1.184 -0.170 0.518) 1.304 9.503 ( -0.113 1.725 0.931) 1.964 12.663 ( 0.114 -0.319 -0.000) 0.339 13.032 ( -0.155 1.252 0.246) 1.286 13.593 ( -1.934 3.685 2.164) 4.691 14.130 ( -2.042 1.084 2.473) 3.385 15.277 ( 5.151 -5.507 -2.346) 7.898 16.275 ( -1.989 2.131 0.183) 2.921 ======================= Grid point 216 (106/140) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -11.930 -0.000 4.833) 12.872 0.962 ( -4.964 -0.000 6.806) 8.424 1.139 ( 4.770 0.000 3.763) 6.076 1.184 ( -1.275 -0.000 5.558) 5.702 1.263 ( 2.428 0.000 1.395) 2.800 1.271 ( 6.803 0.000 -0.715) 6.840 1.298 ( 7.587 0.000 -0.098) 7.588 1.377 ( 0.977 0.000 -5.003) 5.097 1.508 ( 0.473 0.000 2.471) 2.516 1.561 ( -2.080 -0.000 -1.263) 2.433 1.579 ( -3.048 -0.000 -4.145) 5.145 1.897 ( -4.814 -0.000 2.545) 5.446 2.004 ( -3.434 -0.000 1.658) 3.813 2.095 ( -0.120 -0.000 1.099) 1.105 2.264 ( -1.648 -0.000 -0.883) 1.869 2.372 ( 2.312 0.000 -0.946) 2.498 2.464 ( 1.367 0.000 -0.435) 1.435 2.533 ( -0.670 -0.000 1.764) 1.887 2.665 ( 0.622 0.000 -6.242) 6.273 2.828 ( 0.209 0.000 -0.401) 0.452 3.062 ( -0.652 -0.000 0.049) 0.653 3.262 ( 1.787 0.000 -0.389) 1.829 3.332 ( -1.051 -0.000 1.139) 1.549 3.602 ( -0.170 -0.000 0.002) 0.170 3.775 ( 2.755 0.000 0.843) 2.881 3.859 ( -0.736 -0.000 2.529) 2.634 4.014 ( 0.498 0.000 -0.722) 0.877 4.184 ( 3.613 0.000 4.837) 6.037 4.384 ( 0.226 0.000 -7.156) 7.160 4.488 ( 0.014 0.000 0.158) 0.159 4.807 ( -1.017 -0.000 6.917) 6.992 5.289 ( 0.083 0.000 -3.479) 3.480 5.449 ( -1.505 -0.000 -0.049) 1.506 5.516 ( -4.108 -0.000 1.837) 4.500 5.743 ( 1.919 0.000 -6.483) 6.761 6.141 ( -2.919 -0.000 7.203) 7.772 6.390 ( 0.628 0.000 0.088) 0.634 6.652 ( 6.068 0.000 -0.526) 6.091 6.794 ( -3.229 -0.000 -3.199) 4.545 7.023 ( 3.525 0.000 -0.959) 3.653 8.267 ( 1.523 0.000 1.218) 1.951 9.735 ( -0.264 -0.000 0.820) 0.861 12.616 ( 0.159 0.000 0.038) 0.163 13.217 ( -2.136 -0.000 -0.521) 2.199 13.916 ( 3.553 0.000 6.557) 7.458 14.440 ( -0.095 -0.000 -0.031) 0.100 14.601 ( -0.696 -0.000 -4.343) 4.399 16.493 ( -0.758 -0.000 0.237) 0.794 ======================= Grid point 217 (107/140) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -9.483 -6.733 4.735) 12.557 0.943 ( -5.486 -2.307 6.043) 8.482 1.108 ( -0.487 2.974 1.478) 3.356 1.219 ( 1.291 1.438 -2.282) 2.990 1.312 ( 3.066 -5.265 2.264) 6.500 1.350 ( 6.251 -0.284 1.241) 6.380 1.362 ( 2.467 -3.242 -1.071) 4.213 1.411 ( 2.537 -2.734 -0.815) 3.818 1.552 ( -3.887 -2.662 -2.030) 5.130 1.570 ( 3.950 -2.441 1.024) 4.755 1.670 ( -2.791 -10.001 1.466) 10.486 1.883 ( -4.774 -3.171 4.000) 6.990 1.968 ( -1.933 1.658 1.396) 2.904 2.097 ( -1.239 0.204 -0.179) 1.269 2.243 ( -5.132 -1.105 -1.047) 5.353 2.379 ( 1.356 0.627 -1.728) 2.284 2.485 ( 3.216 1.008 0.732) 3.448 2.497 ( 1.257 2.308 2.850) 3.877 2.656 ( 1.166 0.135 -6.920) 7.019 2.860 ( 0.042 -2.900 -0.427) 2.932 3.159 ( 0.020 -9.928 0.262) 9.931 3.324 ( 3.068 -4.179 -0.339) 5.195 3.409 ( -1.042 -8.910 1.010) 9.027 3.654 ( -0.830 -5.037 0.194) 5.109 3.793 ( 3.341 0.175 -0.177) 3.350 3.880 ( 2.040 -1.391 3.356) 4.167 4.089 ( 0.807 -6.647 0.505) 6.715 4.203 ( 0.572 0.667 -1.302) 1.571 4.398 ( 1.112 -3.442 -5.044) 6.207 4.613 ( 0.299 -11.854 1.879) 12.006 4.856 ( 1.345 -3.361 8.867) 9.578 5.288 ( 0.408 -0.516 -3.080) 3.149 5.469 ( -1.562 -2.731 0.311) 3.161 5.528 ( -5.128 -4.983 1.195) 7.249 5.767 ( -0.638 -3.234 -5.107) 6.079 5.983 ( 1.619 9.702 2.699) 10.200 6.530 ( 0.833 -4.598 4.260) 6.324 6.692 ( -3.002 -1.494 -9.616) 10.184 6.861 ( -0.369 -11.680 2.579) 11.967 7.019 ( 6.136 3.276 -0.798) 7.001 8.276 ( 1.968 0.909 0.866) 2.334 9.707 ( -0.310 2.785 0.819) 2.919 12.623 ( 0.294 -0.500 0.009) 0.580 13.174 ( -3.464 1.800 -0.432) 3.927 13.934 ( 6.751 4.811 7.032) 10.870 14.422 ( -7.099 3.234 -0.872) 7.849 14.639 ( 5.403 -7.740 -3.929) 10.225 16.463 ( -1.987 2.036 0.071) 2.845 ======================= Grid point 218 (108/140) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -3.872 -1.736 7.368) 8.503 1.026 ( -7.974 -8.384 0.953) 11.610 1.077 ( -0.814 -1.352 2.201) 2.709 1.200 ( 0.229 0.764 -3.114) 3.214 1.378 ( 4.684 0.497 -3.213) 5.702 1.408 ( 3.081 -0.966 -0.619) 3.288 1.440 ( -0.339 -3.465 1.738) 3.892 1.495 ( -0.457 -4.113 0.382) 4.155 1.582 ( 3.176 -1.228 -0.359) 3.425 1.649 ( 1.847 -2.823 0.596) 3.425 1.808 ( -7.640 -8.517 5.862) 12.856 1.904 ( 0.544 3.733 2.547) 4.551 1.983 ( -0.920 -6.503 0.672) 6.602 2.050 ( -1.349 3.203 -2.140) 4.082 2.232 ( -7.928 -4.191 1.372) 9.072 2.358 ( 1.035 2.462 2.573) 3.709 2.460 ( 3.745 1.015 -4.263) 5.764 2.542 ( 2.340 -1.464 4.421) 5.212 2.658 ( 1.331 -0.888 -8.024) 8.182 2.916 ( -0.211 -2.962 -0.375) 2.993 3.358 ( 2.106 -7.813 1.172) 8.176 3.482 ( 3.260 -10.702 -0.934) 11.226 3.606 ( -0.419 -11.045 0.867) 11.087 3.712 ( -0.685 -1.297 0.294) 1.496 3.850 ( 1.040 -3.765 0.360) 3.922 3.986 ( 6.535 -6.131 2.152) 9.215 4.161 ( -0.634 0.654 -1.246) 1.544 4.254 ( -1.503 -8.478 -3.027) 9.127 4.505 ( 0.098 -7.848 -5.254) 9.445 4.895 ( 0.902 -15.771 5.793) 16.825 4.992 ( 3.438 -6.836 11.266) 13.619 5.308 ( 1.240 -1.718 -1.919) 2.859 5.499 ( -1.051 -1.548 0.857) 2.058 5.618 ( -4.649 -8.628 -0.723) 9.827 5.797 ( -1.245 -0.741 -4.648) 4.869 5.923 ( 2.926 -1.236 1.199) 3.395 6.554 ( 1.277 2.484 6.481) 7.057 6.637 ( -7.225 -0.221 -12.474) 14.417 6.971 ( 5.970 2.202 -3.612) 7.317 7.196 ( -0.354 -16.646 4.477) 17.241 8.267 ( 1.640 1.801 0.636) 2.517 9.638 ( -0.305 4.299 0.811) 4.386 12.638 ( 0.352 -0.790 -0.049) 0.866 13.105 ( -3.006 2.266 -0.137) 3.766 13.855 ( 2.133 9.088 4.864) 10.526 14.268 ( -6.120 5.113 1.401) 8.097 14.904 ( 8.894 -12.853 -4.012) 16.137 16.391 ( -2.974 3.290 0.109) 4.436 ======================= Grid point 219 (109/140) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -1.601 -0.956 7.693) 7.916 1.087 ( -6.762 -6.688 1.704) 9.662 1.161 ( -3.021 -6.423 1.900) 7.348 1.181 ( -0.005 0.756 -1.988) 2.127 1.376 ( 3.933 2.662 -2.844) 5.535 1.445 ( 2.264 -0.504 0.494) 2.372 1.467 ( -2.716 -1.344 0.525) 3.075 1.554 ( 1.371 -0.978 -1.515) 2.265 1.603 ( -0.301 -0.549 -1.786) 1.893 1.700 ( 5.911 3.278 -0.941) 6.824 1.838 ( -0.707 1.021 2.601) 2.882 1.892 ( -8.715 -4.552 4.330) 10.744 1.985 ( 2.723 1.989 -2.085) 3.964 2.074 ( -2.558 -4.814 0.935) 5.531 2.280 ( -3.292 -4.204 3.233) 6.242 2.343 ( -0.678 -0.843 4.470) 4.599 2.481 ( 3.903 -0.183 -4.019) 5.605 2.580 ( -0.271 -0.573 2.405) 2.487 2.675 ( 2.725 -0.744 -7.526) 8.038 2.960 ( -0.216 -2.065 -0.457) 2.126 3.477 ( 2.203 -3.119 1.576) 4.130 3.698 ( 1.403 -6.715 -0.106) 6.861 3.726 ( 1.455 -2.401 -1.297) 3.093 3.767 ( -0.229 -5.695 1.064) 5.798 3.934 ( 0.898 -4.193 2.394) 4.911 4.122 ( -1.201 -0.441 1.409) 1.903 4.203 ( 6.378 -7.004 -4.837) 10.636 4.366 ( -2.447 -5.467 -2.379) 6.445 4.642 ( -1.551 -8.057 -5.389) 9.816 5.147 ( 1.423 -7.113 6.718) 9.887 5.195 ( -2.388 -9.787 10.581) 14.610 5.387 ( 3.244 -5.251 4.814) 7.828 5.537 ( 3.430 -2.722 -1.420) 4.603 5.740 ( 0.310 -4.454 -1.880) 4.845 5.811 ( -2.693 -5.894 -4.040) 7.636 5.986 ( 2.867 -0.694 1.450) 3.287 6.481 ( -8.081 2.835 0.506) 8.579 6.597 ( 1.133 -1.046 -6.637) 6.814 6.971 ( 4.791 1.702 -6.645) 8.367 7.478 ( -2.985 -13.250 5.097) 14.507 8.241 ( 1.172 2.311 0.688) 2.681 9.558 ( -0.254 3.900 0.829) 3.996 12.654 ( 0.229 -0.692 -0.074) 0.733 13.050 ( -1.705 1.444 0.174) 2.241 13.687 ( -2.896 7.851 2.483) 8.729 14.165 ( -1.137 3.515 3.596) 5.155 15.182 ( 7.203 -9.614 -3.813) 12.604 16.305 ( -2.704 3.044 0.248) 4.079 ======================= Grid point 226 (110/140) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -12.317 -0.000 5.670) 13.560 0.878 ( -9.442 -0.000 6.486) 11.455 1.195 ( 0.622 0.000 -2.585) 2.659 1.195 ( 0.564 0.000 -1.046) 1.188 1.292 ( 0.712 0.000 -2.385) 2.489 1.302 ( 0.128 0.000 2.046) 2.050 1.412 ( 5.897 0.000 0.621) 5.929 1.443 ( -7.357 -0.000 5.282) 9.057 1.453 ( 8.043 0.000 -4.099) 9.027 1.553 ( 0.994 0.000 2.350) 2.552 1.596 ( 4.383 0.000 -0.524) 4.414 1.813 ( -6.657 -0.000 6.849) 9.551 1.968 ( -2.131 -0.000 2.146) 3.024 2.084 ( -1.479 -0.000 0.197) 1.492 2.198 ( -3.468 -0.000 -4.546) 5.718 2.401 ( 4.313 0.000 -3.497) 5.553 2.524 ( 3.091 0.000 2.182) 3.783 2.547 ( 1.093 0.000 5.120) 5.236 2.659 ( 1.542 0.000 -6.563) 6.741 2.828 ( -0.024 -0.000 -0.466) 0.466 3.053 ( -0.349 -0.000 0.215) 0.410 3.295 ( 0.996 0.000 -0.059) 0.998 3.326 ( 1.004 0.000 0.834) 1.305 3.598 ( -0.427 -0.000 0.109) 0.441 3.811 ( 0.356 0.000 -0.403) 0.538 3.906 ( 4.981 0.000 3.544) 6.114 4.020 ( 0.668 0.000 -0.705) 0.971 4.218 ( -2.413 -0.000 -3.743) 4.453 4.370 ( 2.540 0.000 -1.511) 2.955 4.490 ( 0.167 0.000 0.151) 0.225 4.859 ( 2.563 0.000 8.743) 9.111 5.282 ( 0.766 0.000 -2.536) 2.650 5.404 ( -3.679 -0.000 -0.020) 3.679 5.473 ( -1.619 -0.000 1.770) 2.399 5.713 ( -2.655 -0.000 -3.572) 4.450 6.163 ( 2.337 0.000 5.647) 6.111 6.409 ( 1.493 0.000 0.085) 1.495 6.629 ( -6.267 -0.000 -10.825) 12.508 6.772 ( 1.121 0.000 1.066) 1.547 7.110 ( 7.001 0.000 0.418) 7.014 8.306 ( 2.612 0.000 0.486) 2.657 9.733 ( -0.369 -0.000 0.794) 0.875 12.620 ( 0.370 0.000 0.012) 0.370 13.156 ( -4.336 -0.000 -0.436) 4.358 14.092 ( 13.633 0.000 9.181) 16.437 14.437 ( -0.208 -0.000 -0.005) 0.208 14.523 ( -6.726 -0.000 -7.190) 9.846 16.463 ( -2.751 -0.000 -0.190) 2.757 ======================= Grid point 227 (111/140) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -8.990 -10.914 4.541) 14.851 0.829 ( -11.395 -3.123 5.584) 13.068 1.114 ( 0.873 3.221 -2.024) 3.903 1.214 ( -0.491 0.750 -3.875) 3.977 1.317 ( -5.112 -4.261 -2.892) 7.257 1.372 ( 2.559 -4.670 2.681) 5.962 1.423 ( 1.109 -0.825 0.507) 1.472 1.465 ( 0.394 -1.893 3.912) 4.364 1.533 ( 2.641 -2.494 0.885) 3.738 1.634 ( 3.494 -1.825 -0.471) 3.970 1.655 ( 1.236 -5.107 3.827) 6.500 1.827 ( -3.541 -5.524 5.776) 8.742 1.966 ( 0.950 -0.178 1.546) 1.823 2.069 ( -1.786 0.491 0.061) 1.853 2.149 ( -4.173 0.838 -4.301) 6.051 2.425 ( 4.987 1.560 -2.398) 5.750 2.519 ( 1.876 3.073 1.495) 3.898 2.557 ( 1.791 0.322 5.634) 5.920 2.647 ( 1.607 0.557 -7.693) 7.879 2.856 ( -0.283 -2.789 -0.449) 2.839 3.179 ( 2.631 -11.524 0.245) 11.823 3.382 ( 3.973 -4.453 -0.254) 5.974 3.394 ( -1.213 -9.222 1.013) 9.356 3.641 ( -0.893 -4.325 0.171) 4.420 3.812 ( -0.497 -1.006 -1.419) 1.810 3.973 ( 6.110 -2.111 2.831) 7.057 4.097 ( 0.417 -6.801 -1.394) 6.955 4.158 ( -3.746 1.142 -2.850) 4.843 4.396 ( 0.096 -2.145 -3.873) 4.428 4.636 ( 0.840 -12.693 3.408) 13.169 4.938 ( 3.411 -4.132 9.535) 10.938 5.293 ( 1.477 -0.753 -1.391) 2.164 5.434 ( -4.017 -6.303 -0.304) 7.481 5.478 ( 0.444 -0.866 1.271) 1.601 5.712 ( -3.721 -3.092 -1.761) 5.148 6.051 ( 5.103 8.706 1.014) 10.142 6.540 ( -5.509 -1.383 -12.842) 14.042 6.575 ( -0.545 -4.681 3.982) 6.169 6.853 ( -1.929 -9.851 -0.797) 10.069 7.134 ( 7.183 3.195 1.251) 7.961 8.315 ( 2.361 1.364 0.380) 2.753 9.704 ( -0.422 2.762 0.750) 2.893 12.629 ( 0.409 -0.491 -0.038) 0.640 13.109 ( -3.705 1.176 -0.196) 3.893 14.086 ( 3.593 12.235 3.325) 13.178 14.320 ( -1.885 3.935 4.925) 6.580 14.694 ( 4.186 -15.104 -6.586) 17.001 16.417 ( -3.358 2.132 -0.141) 3.980 ======================= Grid point 228 (112/140) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -10.126 -7.171 5.080) 13.408 0.919 ( -4.773 -7.851 4.460) 10.213 1.091 ( 1.021 -0.105 0.722) 1.255 1.188 ( -0.232 0.724 -3.213) 3.302 1.356 ( -4.973 -3.904 -0.322) 6.330 1.429 ( 2.304 -0.480 -3.747) 4.424 1.494 ( 2.625 -0.836 0.308) 2.772 1.508 ( 1.375 -3.971 1.548) 4.478 1.605 ( -3.034 -5.601 5.541) 8.442 1.657 ( 0.465 0.095 -1.489) 1.563 1.771 ( 2.470 -3.891 4.720) 6.597 1.913 ( -1.549 -0.176 2.939) 3.327 1.986 ( 1.097 -1.018 0.455) 1.564 2.044 ( 1.366 1.919 -4.612) 5.178 2.125 ( -5.111 -5.387 4.805) 8.844 2.400 ( 2.321 3.439 1.654) 4.467 2.501 ( 2.304 0.421 -3.936) 4.580 2.575 ( -0.286 -0.100 4.469) 4.479 2.658 ( 3.205 -1.532 -8.063) 8.811 2.908 ( -0.496 -2.979 -0.434) 3.051 3.426 ( 5.456 -7.335 1.397) 9.248 3.529 ( 2.819 -10.090 -0.853) 10.511 3.601 ( -0.584 -11.212 0.839) 11.259 3.695 ( -1.245 -2.370 -0.734) 2.776 3.861 ( 0.237 -4.449 -0.402) 4.473 4.095 ( -4.545 -0.198 -3.115) 5.514 4.111 ( 5.964 -6.643 -1.216) 9.010 4.259 ( 2.501 -6.375 2.305) 7.225 4.455 ( -2.332 -7.408 -7.511) 10.805 4.909 ( -2.652 -14.505 6.628) 16.166 5.095 ( 3.207 -6.711 9.113) 11.763 5.340 ( 2.981 -3.006 1.490) 4.488 5.505 ( -0.776 -3.563 1.108) 3.811 5.577 ( 1.924 -8.545 -1.984) 8.981 5.738 ( -3.335 -2.573 -0.475) 4.239 6.009 ( 6.078 0.799 -2.290) 6.544 6.452 ( -7.196 1.083 -8.630) 11.289 6.613 ( 2.308 1.557 2.583) 3.798 7.000 ( -0.429 -2.825 -4.910) 5.681 7.200 ( -1.351 -10.054 3.585) 10.759 8.299 ( 1.876 2.177 0.923) 3.018 9.635 ( -0.436 4.211 0.679) 4.288 12.643 ( 0.290 -0.703 -0.102) 0.768 13.059 ( -2.411 1.340 0.104) 2.760 13.828 ( -7.259 10.727 0.667) 12.970 14.270 ( 4.111 5.745 8.473) 11.032 15.013 ( 6.910 -14.025 -7.282) 17.247 16.340 ( -2.966 2.986 0.186) 4.213 ======================= Grid point 236 (113/140) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -10.707 -0.000 7.602) 13.132 0.696 ( -14.397 -0.000 4.523) 15.091 1.135 ( -3.293 -0.000 -9.662) 10.207 1.171 ( -4.731 -0.000 5.273) 7.085 1.254 ( -2.385 -0.000 -5.795) 6.266 1.338 ( 1.605 0.000 4.583) 4.856 1.391 ( -2.840 -0.000 7.657) 8.167 1.468 ( -0.150 -0.000 0.758) 0.773 1.561 ( 6.191 0.000 -0.362) 6.201 1.603 ( 3.277 0.000 2.017) 3.848 1.674 ( 5.525 0.000 -1.369) 5.692 1.775 ( -0.909 -0.000 6.851) 6.911 1.966 ( 1.067 0.000 3.070) 3.250 2.049 ( -2.531 -0.000 -0.867) 2.676 2.130 ( -1.936 -0.000 -7.395) 7.645 2.477 ( 5.317 0.000 -5.761) 7.840 2.566 ( 0.989 0.000 2.247) 2.455 2.603 ( 3.009 0.000 1.127) 3.213 2.694 ( 7.002 0.000 2.604) 7.471 2.823 ( -0.316 -0.000 -0.495) 0.587 3.056 ( 0.494 0.000 0.480) 0.689 3.286 ( -1.250 -0.000 0.686) 1.425 3.374 ( 3.554 0.000 -0.110) 3.555 3.588 ( -0.878 -0.000 0.174) 0.895 3.780 ( -3.984 -0.000 -2.538) 4.724 4.001 ( 3.536 0.000 1.381) 3.796 4.030 ( 0.749 0.000 -0.545) 0.926 4.128 ( -4.120 -0.000 -2.333) 4.735 4.408 ( 0.728 0.000 0.428) 0.845 4.494 ( 0.193 0.000 0.114) 0.225 4.939 ( 2.157 0.000 8.756) 9.018 5.298 ( 1.832 0.000 0.028) 1.833 5.338 ( -4.063 -0.000 0.010) 4.063 5.481 ( 1.627 0.000 0.896) 1.857 5.647 ( -3.654 -0.000 -1.274) 3.869 6.234 ( 1.926 0.000 2.220) 2.939 6.435 ( 1.510 0.000 0.079) 1.512 6.453 ( -5.847 -0.000 -13.012) 14.266 6.769 ( -1.955 -0.000 -2.677) 3.315 7.250 ( 9.074 0.000 3.380) 9.683 8.351 ( 2.530 0.000 -0.178) 2.536 9.729 ( -0.471 -0.000 0.710) 0.852 12.627 ( 0.405 0.000 -0.014) 0.405 13.091 ( -3.073 -0.000 -0.051) 3.073 14.289 ( -14.498 -0.000 -14.013) 20.163 14.434 ( -0.222 -0.000 0.022) 0.223 14.434 ( 18.983 0.000 14.444) 23.853 16.409 ( -3.439 -0.000 -0.313) 3.453 ======================= Grid point 237 (114/140) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -9.957 -6.265 6.457) 13.419 0.686 ( -6.507 -12.914 6.660) 15.920 1.101 ( -1.021 -0.511 -5.989) 6.097 1.174 ( -3.846 -2.664 4.534) 6.515 1.219 ( -4.601 -1.889 -2.815) 5.715 1.398 ( -4.787 -2.778 7.418) 9.255 1.416 ( 1.441 -3.113 0.884) 3.543 1.455 ( -1.024 -1.312 0.948) 1.915 1.606 ( 5.464 1.320 -2.812) 6.285 1.703 ( 3.442 -5.223 3.245) 7.047 1.715 ( 4.268 -0.387 -0.627) 4.331 1.814 ( -1.452 -3.553 4.666) 6.042 2.001 ( 0.757 -1.604 1.561) 2.363 2.051 ( 0.434 -1.710 -0.140) 1.770 2.078 ( -2.030 2.042 -4.233) 5.120 2.488 ( 3.840 1.416 -6.496) 7.678 2.548 ( 0.196 3.389 1.351) 3.654 2.609 ( 2.304 2.392 4.659) 5.721 2.670 ( 4.477 3.936 -1.804) 6.228 2.848 ( -0.412 -2.648 -0.503) 2.727 3.257 ( 6.795 -13.929 -0.311) 15.502 3.379 ( -0.935 -9.968 0.731) 10.039 3.451 ( 4.636 -4.177 -0.077) 6.240 3.626 ( -0.949 -3.723 0.135) 3.845 3.757 ( -5.173 -3.854 -4.576) 7.909 4.021 ( -3.500 -1.386 -2.465) 4.500 4.070 ( 0.682 -2.494 0.125) 2.589 4.164 ( 3.965 -6.491 2.700) 8.072 4.361 ( -1.991 0.887 -3.817) 4.396 4.653 ( -0.558 -12.220 3.382) 12.692 5.021 ( 1.688 -5.232 8.354) 10.001 5.325 ( 1.667 -1.421 2.566) 3.373 5.370 ( -2.913 -5.929 -0.277) 6.612 5.516 ( 2.394 -2.285 -0.637) 3.371 5.652 ( -2.245 -3.367 -0.358) 4.063 6.104 ( -1.180 6.658 -3.083) 7.432 6.402 ( -0.140 -0.059 -9.247) 9.248 6.621 ( 2.777 -7.040 1.483) 7.712 6.774 ( -6.438 -7.658 -4.515) 10.976 7.256 ( 5.847 6.924 4.396) 10.073 8.351 ( 1.648 1.604 0.399) 2.334 9.699 ( -0.529 2.770 0.629) 2.890 12.634 ( 0.303 -0.428 -0.065) 0.529 13.062 ( -1.804 0.880 0.201) 2.017 13.943 ( -15.076 11.473 -5.043) 19.605 14.469 ( 6.961 4.627 13.706) 16.054 14.761 ( 9.850 -15.170 -8.315) 19.907 16.362 ( -2.861 1.888 0.019) 3.428 ======================= Grid point 246 (115/140) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -5.926 -0.000 10.569) 12.117 0.533 ( -5.708 -0.000 10.977) 12.373 1.034 ( -3.373 -0.000 -11.218) 11.714 1.109 ( -7.808 -0.000 18.590) 20.163 1.182 ( -2.452 -0.000 -8.678) 9.018 1.376 ( 0.661 0.000 4.543) 4.591 1.381 ( -1.551 -0.000 3.237) 3.590 1.439 ( -1.817 -0.000 -1.732) 2.511 1.654 ( 1.706 0.000 3.290) 3.706 1.661 ( 5.673 0.000 -0.363) 5.685 1.763 ( 5.401 0.000 -2.676) 6.027 1.796 ( -0.039 -0.000 3.642) 3.643 1.997 ( -2.937 -0.000 -2.074) 3.595 2.017 ( 2.367 0.000 3.106) 3.905 2.069 ( -1.390 -0.000 -8.110) 8.228 2.510 ( 2.259 0.000 -4.553) 5.083 2.566 ( -2.165 -0.000 2.051) 2.982 2.640 ( 3.490 0.000 -6.081) 7.011 2.815 ( -0.393 -0.000 -0.482) 0.622 2.954 ( 18.878 0.000 5.081) 19.550 3.071 ( 0.878 0.000 0.803) 1.190 3.270 ( -0.716 -0.000 0.353) 0.798 3.425 ( 2.351 0.000 -0.122) 2.354 3.572 ( -0.978 -0.000 0.123) 0.985 3.653 ( -8.783 -0.000 -1.130) 8.856 3.980 ( -4.393 -0.000 -0.202) 4.397 4.039 ( 0.536 0.000 -0.334) 0.631 4.139 ( 4.496 0.000 1.659) 4.793 4.391 ( -2.885 -0.000 -0.055) 2.886 4.497 ( 0.130 0.000 0.068) 0.147 4.985 ( -0.633 -0.000 9.184) 9.206 5.281 ( -2.594 -0.000 0.025) 2.594 5.334 ( 0.731 0.000 4.717) 4.773 5.499 ( -0.475 -0.000 -3.125) 3.161 5.603 ( -0.000 -0.000 -1.212) 1.212 6.136 ( -10.023 -0.000 -1.827) 10.188 6.456 ( 0.891 0.000 0.073) 0.894 6.468 ( 9.950 0.000 -9.699) 13.895 6.680 ( -6.349 -0.000 -4.808) 7.964 7.418 ( 7.695 0.000 5.211) 9.294 8.379 ( 0.795 0.000 -0.278) 0.842 9.724 ( -0.449 -0.000 0.636) 0.779 12.633 ( 0.250 0.000 -0.027) 0.252 13.063 ( -0.370 -0.000 0.451) 0.583 13.907 ( -22.466 -0.000 -8.973) 24.192 14.431 ( -0.132 -0.000 0.037) 0.138 14.835 ( 20.547 0.000 8.115) 22.091 16.359 ( -2.229 -0.000 -0.004) 2.229 ======================= Grid point 247 (116/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -0.000 -0.000 -0.000) 0.000 0.734 ( 0.000 0.000 0.000) 0.000 0.839 ( 0.000 0.000 0.000) 0.000 0.900 ( -0.000 -0.000 -0.000) 0.000 1.326 ( -0.000 -0.000 0.000) 0.000 1.390 ( 0.000 0.000 0.000) 0.000 1.449 ( 0.000 0.000 0.000) 0.000 1.540 ( 0.000 0.000 -0.000) 0.000 1.634 ( -0.000 -0.000 0.000) 0.000 1.639 ( -0.000 -0.000 0.000) 0.000 1.779 ( -0.000 -0.000 0.000) 0.000 1.825 ( -0.000 -0.000 -0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 1.971 ( -0.000 -0.000 0.000) 0.000 2.090 ( -0.000 -0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.519 ( -0.000 -0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 3.093 ( -0.000 -0.000 0.000) 0.000 3.095 ( -0.000 -0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.442 ( -0.000 -0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.925 ( -0.000 -0.000 0.000) 0.000 4.040 ( 0.000 0.000 0.000) 0.000 4.246 ( -0.000 -0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.499 ( -0.000 -0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.312 ( -0.000 -0.000 0.000) 0.000 5.434 ( -0.000 -0.000 0.000) 0.000 5.608 ( -0.000 -0.000 0.000) 0.000 6.041 ( 0.000 0.000 0.000) 0.000 6.426 ( -0.000 -0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 0.000 0.000) 0.000 8.385 ( -0.000 -0.000 0.000) 0.000 9.727 ( -0.000 -0.000 0.000) 0.000 12.634 ( 0.000 0.000 0.000) 0.000 13.074 ( 0.000 0.000 0.000) 0.000 13.621 ( -0.000 -0.000 0.000) 0.000 14.430 ( -0.000 -0.000 0.000) 0.000 15.080 ( 0.000 0.000 0.000) 0.000 16.343 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 249 (117/140) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.082 -6.924 -7.035) 9.871 0.834 ( -1.148 -8.781 -6.266) 10.848 0.878 ( 1.082 -8.593 2.928) 9.142 0.961 ( 3.926 -2.160 9.441) 10.451 1.297 ( -2.320 0.718 -0.775) 2.549 1.391 ( 0.887 0.478 0.482) 1.117 1.499 ( -0.687 -4.277 -0.079) 4.332 1.575 ( 1.822 -2.606 -5.202) 6.097 1.623 ( -1.720 -0.150 -1.471) 2.268 1.683 ( 3.006 -3.875 6.788) 8.374 1.738 ( -2.753 2.138 0.991) 3.624 1.843 ( -1.570 -3.107 -2.848) 4.497 1.942 ( 2.036 -2.471 3.109) 4.463 1.991 ( 2.406 -0.789 -1.569) 2.979 2.140 ( -0.930 -5.166 -0.725) 5.299 2.444 ( -4.636 2.620 0.636) 5.363 2.508 ( 1.739 2.151 0.829) 2.888 2.627 ( -0.847 -0.544 -0.127) 1.015 2.810 ( -0.605 6.090 -0.504) 6.140 2.853 ( -1.327 4.093 -0.598) 4.344 3.311 ( -3.061 -12.571 1.534) 13.030 3.380 ( 0.577 -10.686 -0.378) 10.708 3.515 ( -4.912 -6.438 1.615) 8.257 3.602 ( 3.859 -4.620 -0.370) 6.031 3.649 ( 1.250 0.118 -2.076) 2.426 3.940 ( 2.010 -0.465 0.755) 2.197 4.105 ( -0.897 -6.252 -0.832) 6.370 4.213 ( -2.883 0.796 1.332) 3.274 4.307 ( 3.476 -1.882 -1.519) 4.235 4.685 ( 1.564 -13.406 -0.880) 13.525 5.226 ( -1.929 -4.850 -5.927) 7.898 5.298 ( 1.322 -2.170 4.920) 5.538 5.349 ( -0.048 -4.500 0.278) 4.509 5.488 ( 1.732 -4.861 1.301) 5.322 5.664 ( -0.667 -6.257 -1.344) 6.434 5.959 ( 1.175 6.822 2.376) 7.319 6.396 ( -7.944 -0.785 0.836) 8.027 6.559 ( 8.446 -2.365 0.045) 8.771 6.686 ( 0.446 -13.028 -1.589) 13.133 7.391 ( -4.365 11.981 1.043) 12.794 8.377 ( -0.921 0.538 0.198) 1.085 9.699 ( 0.185 2.910 0.071) 2.917 12.637 ( -0.111 -0.320 0.020) 0.339 13.056 ( -0.201 1.362 0.063) 1.378 13.647 ( 7.312 1.673 1.597) 7.669 14.607 ( 0.182 -16.588 0.739) 16.605 14.908 ( -6.560 13.390 -2.041) 15.049 16.333 ( 0.907 1.376 -0.050) 1.649 ======================= Grid point 250 (118/140) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.008 -7.006 -6.885) 9.823 0.987 ( 1.010 -6.183 -2.386) 6.704 1.051 ( 2.001 -4.659 2.926) 5.854 1.067 ( 2.185 -6.086 4.112) 7.663 1.294 ( 0.667 -1.468 -0.009) 1.612 1.388 ( -1.079 -0.078 1.671) 1.991 1.548 ( -3.729 1.749 0.446) 4.142 1.563 ( -0.726 -2.452 -0.801) 2.680 1.668 ( -3.520 2.042 0.341) 4.084 1.708 ( 2.725 -6.327 -3.211) 7.600 1.810 ( 0.114 -4.317 -0.285) 4.328 1.902 ( 1.828 -1.057 0.016) 2.112 1.990 ( 0.749 -2.489 3.212) 4.132 2.032 ( 3.996 -2.059 -2.864) 5.330 2.216 ( -0.272 -2.399 -3.203) 4.011 2.332 ( -5.138 3.070 4.936) 7.758 2.474 ( 2.701 2.803 -1.697) 4.247 2.602 ( -6.145 0.520 3.953) 7.325 2.679 ( 0.579 1.751 -3.229) 3.719 2.895 ( 0.717 -2.978 -0.273) 3.075 3.518 ( -1.709 -8.432 2.882) 9.073 3.548 ( -5.509 -5.920 0.053) 8.087 3.610 ( 0.411 -11.037 -0.813) 11.075 3.666 ( -0.982 -3.028 0.039) 3.183 3.809 ( 4.160 -10.746 -0.167) 11.524 3.975 ( 2.721 -1.046 1.103) 3.116 4.154 ( -1.269 -0.951 -0.330) 1.620 4.279 ( 0.467 -6.450 2.483) 6.927 4.415 ( -2.133 -9.350 -3.064) 10.068 4.950 ( 5.015 -12.430 -1.964) 13.547 5.272 ( -0.252 -2.119 -5.973) 6.343 5.357 ( -3.073 -4.796 5.642) 8.017 5.494 ( 1.766 -9.075 -0.400) 9.254 5.609 ( -1.664 -6.366 2.209) 6.941 5.769 ( 1.134 -2.434 -4.800) 5.500 5.911 ( -1.471 -3.379 5.983) 7.027 6.353 ( -6.597 -1.159 -0.095) 6.698 6.651 ( 9.194 -0.210 -2.717) 9.589 6.935 ( -4.767 -6.707 0.448) 8.241 7.179 ( 2.355 0.955 2.450) 3.530 8.349 ( -2.075 1.303 0.011) 2.450 9.633 ( 0.355 4.170 0.172) 4.189 12.644 ( -0.142 -0.598 0.054) 0.617 13.034 ( 0.946 1.233 0.068) 1.556 13.662 ( 6.894 3.571 1.527) 7.913 14.563 ( -7.562 14.643 -2.025) 16.604 14.940 ( -0.400 -16.695 0.761) 16.717 16.308 ( 1.303 2.205 -0.103) 2.563 ======================= Grid point 251 (119/140) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 1.041 -5.930 -1.274) 6.154 1.065 ( 0.820 -2.562 -1.051) 2.888 1.121 ( 1.636 -3.155 -0.323) 3.568 1.219 ( 1.260 -7.362 -1.157) 7.558 1.337 ( 2.551 -0.440 0.205) 2.597 1.396 ( -0.167 -1.540 2.239) 2.723 1.483 ( -3.222 1.733 0.781) 3.741 1.549 ( -2.323 2.676 1.126) 3.718 1.627 ( -2.474 -0.466 -1.892) 3.150 1.752 ( -3.299 3.212 2.587) 5.281 1.810 ( -1.968 5.738 1.892) 6.354 1.920 ( 2.795 -5.945 -5.886) 8.820 2.020 ( 4.148 1.257 -3.259) 5.423 2.126 ( -0.558 -3.658 -5.049) 6.260 2.279 ( 4.877 -4.255 7.252) 9.720 2.330 ( -2.663 -3.734 3.033) 5.499 2.461 ( 2.242 0.527 -3.196) 3.939 2.567 ( -5.236 -0.856 3.149) 6.170 2.659 ( -1.084 0.687 -1.318) 1.840 2.950 ( 0.755 -2.143 -0.262) 2.287 3.536 ( -0.496 -0.116 -0.112) 0.522 3.683 ( -0.587 -3.659 1.576) 4.027 3.718 ( -3.684 -7.427 1.055) 8.357 3.787 ( -0.349 -5.748 -0.047) 5.758 4.001 ( 1.699 -5.653 0.124) 5.904 4.031 ( 1.663 -3.137 -1.272) 3.771 4.185 ( 2.586 -2.326 2.841) 4.491 4.379 ( -3.651 -5.051 -0.415) 6.246 4.582 ( -2.457 -10.072 -1.549) 10.483 5.199 ( 7.486 -7.144 -1.969) 10.533 5.293 ( 2.285 -1.860 -4.436) 5.325 5.458 ( -3.822 -7.524 4.082) 9.375 5.641 ( -5.494 -4.602 5.842) 9.246 5.707 ( 0.671 -7.544 1.325) 7.689 5.790 ( 0.875 -1.615 -6.379) 6.638 6.009 ( -2.642 -4.685 1.945) 5.719 6.335 ( -3.270 -1.368 -0.731) 3.619 6.688 ( 3.715 1.764 -6.981) 8.102 6.839 ( -2.108 4.396 6.441) 8.078 7.435 ( 5.957 -14.341 1.568) 15.608 8.293 ( -3.073 2.352 -0.282) 3.880 9.561 ( 0.334 3.686 0.186) 3.705 12.655 ( -0.126 -0.630 0.067) 0.646 13.027 ( 1.483 0.657 0.048) 1.622 13.634 ( 3.709 4.195 0.807) 5.657 14.289 ( -4.231 8.593 -1.633) 9.716 15.182 ( -1.521 -9.882 0.891) 10.038 16.277 ( 1.133 2.013 -0.110) 2.313 ======================= Grid point 252 (120/140) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.296 -0.935 0.972) 1.381 1.101 ( 0.446 -1.054 -0.957) 1.492 1.230 ( 3.791 -4.493 1.039) 5.970 1.329 ( -1.471 -1.308 -4.546) 4.953 1.356 ( -0.944 -4.819 -1.530) 5.144 1.406 ( 1.092 2.296 1.794) 3.112 1.464 ( -0.547 3.128 3.560) 4.771 1.493 ( 1.775 -2.184 -0.218) 2.823 1.604 ( -4.530 5.798 -0.017) 7.358 1.614 ( -1.167 0.142 -0.839) 1.444 1.732 ( -0.924 2.444 1.527) 3.026 2.003 ( -0.151 -2.283 -1.763) 2.888 2.022 ( 2.613 1.002 -1.231) 3.058 2.165 ( 0.043 -1.589 -2.581) 3.032 2.361 ( 1.439 -1.637 7.833) 8.131 2.418 ( -0.753 -2.765 -3.002) 4.150 2.474 ( 2.620 -0.747 -1.581) 3.150 2.546 ( -2.473 -0.027 -0.165) 2.479 2.632 ( -1.254 0.671 0.965) 1.719 2.981 ( 0.316 -0.763 -0.103) 0.833 3.535 ( 0.063 0.033 -0.245) 0.255 3.721 ( -0.126 -1.051 0.706) 1.272 3.803 ( -1.697 -3.174 1.175) 3.786 3.841 ( 0.083 -0.887 -0.578) 1.062 4.065 ( 2.724 -0.236 2.652) 3.809 4.075 ( -2.133 -1.975 -3.086) 4.240 4.277 ( 3.507 -2.430 1.318) 4.465 4.405 ( -3.942 -1.682 -0.677) 4.339 4.704 ( -0.867 -4.008 -0.384) 4.119 5.261 ( 0.384 -0.156 -0.337) 0.534 5.405 ( 6.964 -2.804 -4.565) 8.786 5.527 ( -4.526 -1.838 3.047) 5.757 5.704 ( 0.130 -4.272 10.134) 10.998 5.788 ( -2.616 -0.108 -8.720) 9.105 5.864 ( -0.524 -7.363 1.673) 7.569 6.005 ( -0.298 3.330 -1.464) 3.649 6.338 ( -1.106 -0.721 -0.444) 1.392 6.653 ( -0.061 0.950 -2.159) 2.360 6.814 ( 0.882 0.583 2.482) 2.698 7.689 ( 3.344 -6.878 0.771) 7.687 8.221 ( -2.195 2.098 -0.292) 3.051 9.513 ( 0.137 1.490 0.079) 1.499 12.664 ( -0.054 -0.275 0.032) 0.282 13.030 ( 0.745 0.132 0.020) 0.757 13.589 ( 0.855 2.056 0.178) 2.234 14.167 ( -1.038 2.469 -0.512) 2.727 15.291 ( -0.830 -3.121 0.326) 3.246 16.257 ( 0.452 0.813 -0.048) 0.932 ======================= Grid point 258 (121/140) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 3.529 0.000 -10.566) 11.140 0.757 ( -0.688 -0.000 -11.309) 11.329 0.809 ( 4.010 0.000 11.316) 12.005 1.002 ( 4.719 0.000 9.748) 10.830 1.275 ( -3.827 -0.000 -0.898) 3.931 1.416 ( 1.320 0.000 0.723) 1.505 1.436 ( -1.531 -0.000 -0.266) 1.554 1.562 ( 4.660 0.000 -8.123) 9.365 1.605 ( -4.245 -0.000 1.074) 4.379 1.695 ( 0.751 0.000 6.148) 6.193 1.736 ( -0.674 -0.000 2.918) 2.995 1.767 ( -3.362 -0.000 -4.774) 5.839 1.947 ( 4.037 0.000 2.818) 4.923 2.008 ( 3.084 0.000 -0.948) 3.226 2.070 ( -1.765 -0.000 -1.228) 2.150 2.431 ( -5.140 -0.000 1.994) 5.514 2.528 ( -0.646 -0.000 1.611) 1.736 2.627 ( 0.558 0.000 -1.475) 1.577 2.808 ( 0.329 0.000 0.190) 0.380 2.997 ( -10.780 -0.000 -0.223) 10.783 3.083 ( -0.952 -0.000 -0.374) 1.022 3.279 ( 1.274 0.000 -0.476) 1.360 3.418 ( -2.784 -0.000 0.596) 2.847 3.575 ( 1.117 0.000 -0.184) 1.133 3.672 ( 3.818 0.000 -2.105) 4.360 3.961 ( 2.951 0.000 1.642) 3.377 4.034 ( -0.666 -0.000 0.091) 0.672 4.168 ( -4.168 -0.000 -1.372) 4.388 4.405 ( 5.666 0.000 -1.882) 5.970 4.498 ( -0.084 -0.000 -0.043) 0.094 5.148 ( -1.911 -0.000 -5.275) 5.611 5.282 ( 2.622 0.000 -0.048) 2.622 5.317 ( -1.821 -0.000 2.832) 3.367 5.469 ( 3.163 0.000 3.208) 4.505 5.598 ( -0.640 -0.000 -1.530) 1.658 6.090 ( 5.539 0.000 3.621) 6.617 6.347 ( -6.526 -0.000 2.078) 6.849 6.457 ( -0.904 -0.000 -0.001) 0.904 6.658 ( 7.908 0.000 -3.169) 8.519 7.449 ( -10.478 -0.000 1.925) 10.653 8.373 ( -1.637 -0.000 0.618) 1.750 9.730 ( 0.267 0.000 0.089) 0.282 12.632 ( -0.260 -0.000 0.025) 0.261 13.067 ( 0.007 0.000 0.102) 0.102 13.781 ( 15.524 0.000 4.756) 16.236 14.431 ( 0.138 0.000 -0.024) 0.140 14.947 ( -13.967 -0.000 -4.107) 14.558 16.359 ( 1.932 0.000 0.023) 1.932 ======================= Grid point 259 (122/140) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 3.331 -4.074 -7.456) 9.126 0.821 ( 4.321 -10.646 -7.320) 13.623 0.955 ( 3.702 -7.291 7.539) 11.122 1.063 ( 3.824 -0.731 7.674) 8.605 1.250 ( -2.599 -1.422 0.283) 2.976 1.403 ( -0.227 1.503 1.499) 2.134 1.473 ( -2.645 -4.403 0.394) 5.152 1.544 ( -4.534 1.254 -0.583) 4.741 1.628 ( 3.676 -3.475 -5.908) 7.777 1.668 ( -4.031 0.630 0.996) 4.200 1.769 ( 1.273 -2.079 -0.129) 2.441 1.832 ( 3.527 -6.778 0.136) 7.642 1.980 ( 0.745 0.441 2.243) 2.404 2.031 ( 2.388 -0.499 -2.020) 3.167 2.116 ( -0.592 -5.289 -1.308) 5.480 2.372 ( -4.452 2.462 3.548) 6.203 2.517 ( -1.001 0.684 1.354) 1.817 2.602 ( -2.092 2.531 -0.395) 3.308 2.759 ( -3.919 8.455 -3.330) 9.896 2.843 ( 0.402 -2.778 -0.080) 2.808 3.240 ( -4.981 -12.847 1.027) 13.817 3.393 ( 1.132 -10.134 -0.616) 10.215 3.439 ( -4.578 -4.196 1.013) 6.292 3.627 ( 0.755 -3.509 -0.002) 3.590 3.716 ( 5.295 -2.371 -0.297) 5.809 3.988 ( 2.347 -0.221 1.947) 3.058 4.082 ( -1.180 -4.377 -1.012) 4.645 4.176 ( -1.931 -4.855 1.499) 5.435 4.339 ( 0.779 2.732 -1.968) 3.456 4.708 ( 0.995 -14.642 -2.268) 14.849 5.169 ( -2.261 -4.794 -5.338) 7.523 5.303 ( -2.976 -0.491 2.049) 3.646 5.369 ( 3.187 -6.133 -0.252) 6.916 5.521 ( -0.215 -2.466 1.843) 3.086 5.648 ( 0.803 -5.549 -0.597) 5.638 6.028 ( 4.711 8.863 4.839) 11.143 6.290 ( -4.297 -0.477 0.694) 4.379 6.671 ( 1.732 -16.606 1.490) 16.763 6.713 ( 6.771 0.070 -3.559) 7.650 7.275 ( -9.714 7.555 2.565) 12.571 8.350 ( -2.411 0.811 0.574) 2.608 9.705 ( 0.401 2.836 0.141) 2.868 12.633 ( -0.311 -0.384 0.050) 0.497 13.064 ( 1.533 0.872 0.079) 1.766 13.846 ( 13.050 6.444 4.603) 15.265 14.611 ( -1.937 -14.999 4.252) 15.710 14.711 ( -12.447 8.642 -8.245) 17.251 16.362 ( 2.511 1.657 0.071) 3.009 ======================= Grid point 260 (123/140) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 5.415 -6.606 -2.564) 8.919 1.006 ( 2.858 -5.814 -2.881) 7.091 1.079 ( 0.475 -3.077 0.593) 3.170 1.126 ( 2.597 -3.305 2.959) 5.140 1.327 ( 2.359 -5.610 2.608) 6.621 1.372 ( -1.517 1.438 2.302) 3.110 1.472 ( -5.573 0.638 1.274) 5.752 1.536 ( -1.785 -2.619 -1.459) 3.489 1.608 ( -3.383 1.454 1.071) 3.835 1.728 ( -1.136 -3.535 -0.511) 3.748 1.836 ( 3.891 -3.244 -2.146) 5.502 1.927 ( 1.282 4.126 -0.265) 4.328 2.009 ( 0.878 -4.853 -2.653) 5.600 2.049 ( 0.491 -2.599 -3.901) 4.713 2.212 ( 1.724 -5.038 -2.666) 5.955 2.319 ( 0.358 1.016 6.891) 6.975 2.494 ( 0.787 2.122 -1.821) 2.905 2.512 ( -6.410 0.678 5.139) 8.243 2.666 ( -0.363 1.172 -3.711) 3.909 2.907 ( 0.730 -3.077 -0.260) 3.173 3.445 ( -5.246 -10.565 -0.639) 11.813 3.495 ( -2.888 -7.160 2.498) 8.114 3.616 ( 0.438 -11.515 -0.583) 11.538 3.671 ( 1.075 -0.922 1.193) 1.851 3.857 ( 1.344 -8.185 -0.500) 8.310 4.021 ( 1.312 -1.321 2.567) 3.171 4.135 ( -1.411 -3.453 -1.110) 3.892 4.307 ( 1.708 -2.282 4.398) 5.240 4.353 ( -2.642 -10.308 -3.553) 11.218 5.005 ( 1.340 -16.302 -2.617) 16.565 5.245 ( -0.493 -4.768 -6.105) 7.762 5.302 ( -5.566 -3.660 3.390) 7.474 5.527 ( 1.674 -5.491 0.774) 5.793 5.567 ( -1.817 -5.930 0.347) 6.212 5.756 ( 0.973 -3.348 -4.582) 5.757 5.957 ( 0.993 0.688 5.537) 5.667 6.296 ( 0.337 -1.266 2.919) 3.200 6.733 ( 2.954 1.294 -7.829) 8.467 6.900 ( -0.883 0.174 5.323) 5.398 7.210 ( 0.296 -11.302 2.583) 11.597 8.306 ( -2.925 1.707 0.311) 3.401 9.640 ( 0.386 4.204 0.169) 4.225 12.641 ( -0.283 -0.686 0.081) 0.746 13.061 ( 2.287 1.261 0.023) 2.612 13.802 ( 7.796 8.034 2.572) 11.487 14.406 ( -8.605 9.298 -3.571) 13.163 14.919 ( -2.966 -15.417 1.217) 15.746 16.341 ( 2.707 2.776 0.011) 3.877 ======================= Grid point 261 (124/140) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.484 -2.910 2.478) 3.853 1.080 ( 2.150 -1.936 -1.576) 3.295 1.160 ( 4.257 -5.846 -1.951) 7.490 1.233 ( 0.983 -5.265 -2.073) 5.743 1.330 ( -3.080 1.401 0.814) 3.481 1.429 ( -3.370 0.183 1.907) 3.877 1.455 ( 5.213 -3.953 1.607) 6.736 1.521 ( -1.551 2.272 1.309) 3.046 1.588 ( -1.550 -1.236 -0.517) 2.049 1.681 ( -5.364 4.657 1.262) 7.215 1.814 ( 0.572 5.569 4.326) 7.075 1.945 ( 1.067 -2.244 -2.460) 3.496 2.049 ( 2.190 -2.183 -6.438) 7.142 2.119 ( 2.158 -2.547 -2.982) 4.476 2.328 ( 1.232 -5.008 1.430) 5.352 2.358 ( 1.342 -1.657 2.118) 3.005 2.469 ( -1.511 -1.491 -3.662) 4.233 2.507 ( -1.287 -1.008 6.778) 6.972 2.643 ( -0.123 0.626 -2.455) 2.537 2.959 ( 0.507 -1.983 -0.357) 2.077 3.503 ( -2.631 -2.657 -0.951) 3.858 3.669 ( -2.226 -9.158 2.284) 9.698 3.697 ( -0.037 -1.323 1.611) 2.085 3.785 ( 0.482 -5.967 -0.727) 6.030 3.985 ( -1.606 -5.257 -2.748) 6.146 4.069 ( 0.990 -1.999 4.107) 4.673 4.195 ( -3.423 -5.017 -1.517) 6.260 4.357 ( 2.312 -2.846 0.182) 3.671 4.565 ( 0.884 -10.472 1.677) 10.642 5.237 ( -1.577 -4.783 -1.542) 5.267 5.297 ( -3.180 -6.328 -1.149) 7.174 5.403 ( -4.447 -9.479 2.222) 10.704 5.601 ( 3.195 -5.231 -2.725) 6.708 5.726 ( 1.186 -7.990 1.338) 8.188 5.756 ( -1.082 0.425 -5.754) 5.870 6.017 ( 0.143 -3.019 1.926) 3.584 6.341 ( 3.813 -0.489 5.385) 6.616 6.676 ( -0.214 3.129 -6.830) 7.515 6.847 ( -1.530 2.198 4.648) 5.364 7.517 ( 2.830 -14.430 1.259) 14.759 8.244 ( -2.399 2.295 0.305) 3.334 9.566 ( 0.180 3.812 0.089) 3.817 12.653 ( -0.202 -0.724 0.081) 0.756 13.053 ( 1.638 1.341 -0.040) 2.118 13.700 ( 3.221 7.424 0.865) 8.138 14.227 ( -1.549 5.144 -1.907) 5.701 15.130 ( -5.249 -10.867 1.041) 12.113 16.308 ( 2.535 2.967 -0.060) 3.903 ======================= Grid point 262 (125/140) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.160 -1.139 -0.391) 1.215 1.113 ( 0.789 -0.147 1.033) 1.308 1.265 ( -2.176 2.592 -1.071) 3.549 1.315 ( 1.084 -4.943 -1.667) 5.328 1.318 ( 0.017 -4.717 -0.319) 4.728 1.419 ( 0.637 -0.170 0.231) 0.698 1.471 ( -0.202 2.584 3.017) 3.977 1.532 ( -3.983 4.996 0.320) 6.397 1.566 ( 5.372 -3.176 -0.187) 6.244 1.617 ( 1.353 -0.855 1.539) 2.220 1.740 ( 0.730 2.922 2.880) 4.167 1.955 ( -3.783 -1.167 -0.526) 3.994 2.075 ( 3.743 1.347 -2.542) 4.721 2.171 ( 0.502 -1.432 1.898) 2.430 2.351 ( -2.995 0.816 -7.812) 8.407 2.405 ( -0.932 -2.913 2.587) 4.006 2.510 ( 3.171 -0.014 -1.842) 3.667 2.529 ( -0.874 -1.403 6.845) 7.042 2.640 ( 2.012 -0.345 -2.821) 3.482 2.984 ( 0.083 -0.426 -0.287) 0.521 3.517 ( -1.822 -1.003 -0.165) 2.087 3.716 ( -0.863 -1.031 0.370) 1.394 3.785 ( -1.060 -4.335 1.045) 4.584 3.855 ( 2.073 -1.148 -0.997) 2.571 4.022 ( -3.003 -1.825 -1.857) 3.975 4.111 ( 1.281 -0.330 3.416) 3.663 4.230 ( -5.369 -2.562 -2.000) 6.276 4.448 ( 5.634 -2.325 0.515) 6.117 4.720 ( 2.282 -3.857 1.819) 4.837 5.251 ( -1.730 -0.559 -1.290) 2.229 5.333 ( -10.408 -2.594 4.568) 11.658 5.525 ( 0.218 -4.944 0.659) 4.992 5.702 ( -0.250 0.030 -11.863) 11.866 5.767 ( 1.729 -5.007 -1.405) 5.480 5.902 ( 4.912 -7.668 4.400) 10.114 6.016 ( 1.056 3.891 -0.525) 4.065 6.387 ( 5.144 1.130 5.689) 7.753 6.634 ( -1.133 -0.346 -1.813) 2.166 6.806 ( -2.516 1.185 0.075) 2.782 7.703 ( -1.678 -3.343 -0.282) 3.752 8.211 ( 0.763 -0.312 0.731) 1.102 9.513 ( -0.075 1.650 -0.045) 1.652 12.663 ( -0.078 -0.375 0.039) 0.385 13.036 ( 0.047 1.195 -0.089) 1.199 13.613 ( 1.640 3.823 0.187) 4.164 14.164 ( 0.929 1.414 -0.589) 1.792 15.248 ( -4.226 -5.935 0.418) 7.298 16.277 ( 1.855 2.176 -0.063) 2.860 ======================= Grid point 263 (126/140) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.472 1.071 -0.950) 1.507 1.104 ( -0.037 1.630 1.511) 2.223 1.180 ( -1.788 4.100 -0.665) 4.522 1.327 ( -3.614 0.236 1.222) 3.822 1.361 ( 0.386 6.982 2.926) 7.580 1.396 ( 0.748 -0.708 -0.886) 1.359 1.465 ( 0.653 -1.480 -1.732) 2.370 1.503 ( 1.634 -3.189 -0.664) 3.644 1.648 ( 1.760 -1.121 1.978) 2.875 1.688 ( 5.408 -4.921 -0.062) 7.312 1.749 ( 1.236 -2.183 -0.383) 2.538 1.941 ( -5.171 -1.383 1.886) 5.675 2.043 ( 1.623 4.851 1.862) 5.443 2.182 ( -0.165 0.818 4.857) 4.929 2.280 ( -3.214 1.607 -11.537) 12.084 2.436 ( 0.374 2.588 1.296) 2.918 2.444 ( -1.382 2.359 1.339) 3.044 2.588 ( 1.594 -1.253 2.682) 3.362 2.669 ( 3.485 -0.589 -2.943) 4.599 2.976 ( -0.316 1.118 -0.034) 1.162 3.517 ( -1.728 -0.869 0.143) 1.939 3.718 ( -0.067 0.447 -0.598) 0.750 3.819 ( 0.144 0.471 0.025) 0.493 3.866 ( 3.380 2.227 -0.780) 4.122 4.004 ( -3.543 0.425 -1.302) 3.798 4.114 ( 0.820 2.054 3.908) 4.490 4.190 ( -3.799 1.777 -3.044) 5.182 4.498 ( 4.875 2.459 0.563) 5.489 4.743 ( 2.764 4.062 1.532) 5.146 5.212 ( -7.466 1.742 -0.017) 7.667 5.291 ( -3.703 -0.002 3.442) 5.056 5.568 ( 1.073 1.765 -2.334) 3.116 5.675 ( 0.406 -0.383 -5.449) 5.477 5.822 ( -0.312 -0.185 -0.345) 0.501 5.875 ( 0.708 9.584 -0.619) 9.630 6.093 ( 8.559 -2.679 2.179) 9.229 6.396 ( 3.413 2.378 3.062) 5.165 6.643 ( -3.329 -1.212 3.995) 5.339 6.778 ( -0.629 -1.394 -4.587) 4.835 7.609 ( -4.898 8.974 -0.934) 10.266 8.268 ( 2.508 -2.972 0.629) 3.939 9.509 ( -0.223 -1.361 -0.128) 1.385 12.664 ( 0.025 0.202 -0.013) 0.204 13.014 ( -0.953 0.522 -0.082) 1.090 13.586 ( 0.323 0.360 -0.090) 0.492 14.193 ( 1.557 -3.958 0.231) 4.259 15.278 ( -1.735 0.456 -0.112) 1.797 16.262 ( 0.741 0.592 0.005) 0.948 ======================= Grid point 264 (127/140) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.310 5.176 2.879) 5.931 1.057 ( -0.196 3.396 -1.188) 3.603 1.100 ( -0.778 3.223 -0.244) 3.325 1.207 ( -0.490 8.669 0.460) 8.695 1.300 ( -1.294 0.785 0.238) 1.532 1.398 ( 0.384 0.282 -0.984) 1.093 1.520 ( 1.306 -3.147 -0.143) 3.410 1.575 ( 0.938 -2.369 -0.501) 2.597 1.670 ( 1.367 0.176 1.421) 1.980 1.762 ( 0.047 0.302 -2.191) 2.212 1.865 ( 4.918 -5.529 -1.332) 7.519 1.927 ( -0.444 3.463 5.604) 6.602 1.953 ( -4.107 -0.190 2.020) 4.581 2.116 ( -3.366 9.088 -1.735) 9.845 2.204 ( -0.207 -0.725 -2.315) 2.434 2.377 ( 3.729 1.677 -2.394) 4.738 2.428 ( -3.066 0.678 2.608) 4.082 2.618 ( 1.640 -0.942 -0.678) 2.009 2.688 ( 1.617 0.883 -0.094) 1.845 2.940 ( -0.409 2.312 0.141) 2.352 3.527 ( -0.796 -1.273 -0.267) 1.525 3.692 ( 0.668 2.895 -0.413) 2.999 3.768 ( 1.082 5.780 0.299) 5.889 3.805 ( 2.340 7.234 -0.887) 7.655 3.952 ( -2.430 2.808 -0.846) 3.809 4.012 ( -1.518 8.109 1.558) 8.395 4.154 ( -0.101 -0.390 -1.180) 1.247 4.428 ( 1.591 7.841 0.235) 8.005 4.629 ( 1.692 9.943 1.026) 10.138 5.079 ( -5.171 6.212 0.557) 8.102 5.287 ( -0.437 -0.297 1.763) 1.841 5.485 ( 1.205 6.406 -2.499) 6.981 5.674 ( 0.611 10.117 -0.953) 10.180 5.703 ( 0.993 -0.305 -1.754) 2.039 5.766 ( -2.498 4.708 1.721) 5.601 6.101 ( 5.476 8.648 0.162) 10.237 6.414 ( 5.367 -0.922 -0.301) 5.454 6.596 ( -7.954 1.679 3.142) 8.715 6.886 ( 3.741 -9.175 -1.877) 10.084 7.335 ( -4.246 15.293 -0.739) 15.888 8.333 ( 1.341 -2.036 0.199) 2.446 9.555 ( -0.182 -3.619 -0.104) 3.625 12.656 ( 0.040 0.589 -0.025) 0.591 13.008 ( -0.664 -0.650 -0.044) 0.931 13.588 ( -1.352 -0.894 -0.303) 1.649 14.351 ( 2.055 -11.439 0.605) 11.638 15.186 ( -0.171 8.950 -0.334) 8.958 16.269 ( -0.109 -1.119 0.051) 1.126 ======================= Grid point 265 (128/140) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.000 6.347 0.000) 6.347 0.978 ( 0.000 4.087 0.000) 4.087 1.019 ( 0.000 6.007 0.000) 6.007 1.038 ( -0.000 9.051 -0.000) 9.051 1.292 ( -0.000 -0.388 0.000) 0.388 1.393 ( 0.000 0.465 0.000) 0.465 1.568 ( -0.000 2.947 0.000) 2.947 1.580 ( 0.000 -2.241 -0.000) 2.241 1.691 ( 0.000 5.567 -0.000) 5.567 1.700 ( -0.000 -2.556 0.000) 2.556 1.819 ( 0.000 10.941 0.000) 10.941 1.883 ( 0.000 1.228 0.000) 1.228 1.966 ( -0.000 1.746 0.000) 1.746 1.995 ( 0.000 -0.981 0.000) 0.981 2.229 ( -0.000 1.706 0.000) 1.706 2.398 ( 0.000 -4.263 0.000) 4.263 2.429 ( -0.000 -2.402 0.000) 2.402 2.662 ( 0.000 2.092 -0.000) 2.092 2.668 ( -0.000 -4.496 0.000) 4.496 2.889 ( 0.000 2.871 0.000) 2.871 3.522 ( -0.000 5.064 0.000) 5.064 3.601 ( 0.000 4.764 0.000) 4.764 3.608 ( -0.000 11.958 0.000) 11.958 3.688 ( -0.000 4.292 -0.000) 4.292 3.762 ( 0.000 12.824 0.000) 12.824 3.945 ( -0.000 1.034 0.000) 1.034 4.174 ( 0.000 -1.705 0.000) 1.705 4.264 ( 0.000 9.252 0.000) 9.252 4.439 ( 0.000 10.315 0.000) 10.315 4.905 ( -0.000 10.523 0.000) 10.523 5.292 ( 0.000 -0.027 0.000) 0.027 5.365 ( 0.000 6.662 0.000) 6.662 5.481 ( -0.000 9.212 0.000) 9.212 5.611 ( -0.000 8.467 0.000) 8.467 5.757 ( -0.000 -1.055 0.000) 1.055 5.934 ( 0.000 8.030 0.000) 8.030 6.491 ( -0.000 -1.941 0.000) 1.941 6.492 ( 0.000 3.299 -0.000) 3.299 6.995 ( 0.000 17.968 0.000) 17.968 7.138 ( -0.000 -14.747 0.000) 14.747 8.367 ( -0.000 -1.076 0.000) 1.076 9.630 ( -0.000 -4.166 0.000) 4.166 12.645 ( 0.000 0.565 0.000) 0.565 13.027 ( 0.000 -1.544 0.000) 1.544 13.597 ( -0.000 -1.007 0.000) 1.007 14.634 ( 0.000 -16.924 0.000) 16.924 14.939 ( 0.000 17.003 -0.000) 17.003 16.298 ( 0.000 -1.883 0.000) 1.883 ======================= Grid point 269 (129/140) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 8.052 0.000 -8.825) 11.946 0.791 ( 9.076 0.000 -5.188) 10.455 0.932 ( 5.186 0.000 10.658) 11.853 1.107 ( 3.638 0.000 7.461) 8.301 1.213 ( -3.645 -0.000 1.033) 3.789 1.397 ( -3.269 -0.000 0.343) 3.287 1.425 ( -1.388 -0.000 2.548) 2.902 1.518 ( -6.363 -0.000 0.500) 6.383 1.597 ( 2.075 0.000 -6.902) 7.207 1.644 ( -3.376 -0.000 1.293) 3.615 1.692 ( -3.340 -0.000 -4.868) 5.903 1.838 ( 6.641 0.000 0.642) 6.672 2.019 ( 3.423 0.000 2.089) 4.010 2.022 ( -0.325 -0.000 -1.782) 1.811 2.065 ( 2.499 0.000 -1.052) 2.711 2.360 ( -5.045 -0.000 4.703) 6.897 2.520 ( -0.636 -0.000 1.713) 1.828 2.614 ( -1.727 -0.000 -1.790) 2.487 2.811 ( -8.868 -0.000 -3.848) 9.667 2.815 ( 0.361 0.000 0.276) 0.454 3.067 ( -0.635 -0.000 -0.566) 0.851 3.299 ( 1.069 0.000 -0.534) 1.195 3.367 ( -3.238 -0.000 0.557) 3.285 3.592 ( 0.861 0.000 -0.190) 0.882 3.744 ( 4.081 0.000 0.729) 4.145 4.002 ( -0.016 -0.000 1.473) 1.473 4.022 ( -0.862 -0.000 0.198) 0.884 4.122 ( -0.503 -0.000 -0.398) 0.642 4.428 ( -1.396 -0.000 -2.202) 2.607 4.496 ( -0.169 -0.000 -0.067) 0.182 5.084 ( -4.027 -0.000 -4.293) 5.886 5.277 ( -2.648 -0.000 -0.286) 2.663 5.339 ( 4.061 0.000 -0.066) 4.062 5.506 ( 0.378 0.000 0.541) 0.660 5.614 ( 2.546 0.000 1.298) 2.858 6.248 ( 9.883 0.000 4.632) 10.915 6.271 ( -2.650 -0.000 1.747) 3.174 6.436 ( -1.523 -0.000 -0.003) 1.523 6.759 ( 5.374 0.000 -2.833) 6.075 7.257 ( -12.598 -0.000 2.792) 12.903 8.339 ( -2.712 -0.000 0.980) 2.884 9.736 ( 0.357 0.000 0.096) 0.370 12.627 ( -0.401 -0.000 0.039) 0.402 13.091 ( 2.814 0.000 0.071) 2.815 14.063 ( 12.085 0.000 9.324) 15.263 14.434 ( 0.213 0.000 -0.037) 0.217 14.656 ( -15.434 -0.000 -8.620) 17.678 16.403 ( 3.109 0.000 0.330) 3.126 ======================= Grid point 270 (130/140) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 8.381 -5.832 -4.437) 11.133 0.911 ( 9.349 -5.349 -2.775) 11.123 1.037 ( 2.506 -2.848 4.699) 6.040 1.135 ( 1.793 0.658 3.775) 4.230 1.232 ( -0.278 -5.083 4.785) 6.987 1.386 ( -3.279 0.088 2.893) 4.374 1.414 ( -5.200 -1.410 2.537) 5.955 1.465 ( -3.586 -1.192 -2.287) 4.417 1.610 ( -2.875 0.572 1.130) 3.141 1.637 ( -1.473 -3.727 -3.495) 5.318 1.757 ( -0.164 -7.981 -5.018) 9.429 1.912 ( 4.475 -3.308 -1.478) 5.758 1.995 ( 1.468 1.956 -1.022) 2.650 2.047 ( 1.012 1.040 -0.975) 1.748 2.138 ( 4.252 -4.444 -1.067) 6.242 2.329 ( -3.391 -0.113 4.845) 5.915 2.509 ( -0.508 1.160 3.495) 3.717 2.553 ( -3.160 3.904 -1.318) 5.193 2.687 ( -2.769 3.471 -4.829) 6.560 2.851 ( 0.381 -3.040 0.034) 3.064 3.182 ( -2.186 -11.198 -0.088) 11.410 3.371 ( -4.013 -4.517 0.861) 6.103 3.411 ( 1.063 -8.827 -0.625) 8.913 3.642 ( 0.929 -3.900 0.117) 4.011 3.777 ( 1.462 -1.214 1.483) 2.411 3.999 ( -2.561 -0.985 0.723) 2.838 4.065 ( -0.255 -3.579 0.196) 3.594 4.164 ( -0.020 -5.461 -0.439) 5.479 4.339 ( 0.273 2.491 1.235) 2.794 4.687 ( -2.124 -15.097 -1.727) 15.343 5.086 ( -5.893 -5.186 -3.268) 8.503 5.260 ( -1.726 -0.199 -0.884) 1.950 5.430 ( 3.805 -5.846 0.115) 6.976 5.520 ( 1.781 -0.724 -1.588) 2.494 5.679 ( 1.450 -4.405 0.878) 4.720 6.073 ( -1.645 10.679 -0.255) 10.808 6.315 ( 5.592 -0.378 7.714) 9.535 6.687 ( 2.254 -12.137 -5.617) 13.562 6.813 ( 4.539 -5.226 1.529) 7.089 7.119 ( -10.059 3.475 3.253) 11.128 8.309 ( -2.708 0.977 0.879) 3.010 9.711 ( 0.332 2.788 0.091) 2.809 12.628 ( -0.381 -0.444 0.055) 0.588 13.108 ( 3.545 1.088 0.046) 3.708 14.035 ( 4.616 8.950 5.556) 11.502 14.451 ( -9.251 4.096 -4.032) 10.891 14.627 ( -0.694 -12.375 -1.238) 12.456 16.412 ( 3.190 1.855 0.335) 3.705 ======================= Grid point 271 (131/140) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 3.261 -2.342 3.049) 5.042 1.058 ( 4.559 -3.395 -1.514) 5.882 1.086 ( 3.290 -4.386 -3.773) 6.655 1.169 ( 1.574 -2.383 0.655) 2.930 1.318 ( -3.285 -0.908 2.407) 4.172 1.382 ( -5.106 -1.158 1.720) 5.511 1.420 ( 3.373 -4.540 3.900) 6.870 1.501 ( -1.560 -3.155 -1.407) 3.791 1.572 ( -2.382 0.984 1.543) 3.004 1.670 ( -3.713 -1.320 -0.459) 3.967 1.894 ( 1.926 -3.473 1.575) 4.272 1.945 ( 1.025 1.222 -1.623) 2.275 1.992 ( 0.718 0.499 -3.410) 3.520 2.062 ( 2.507 -4.880 -4.962) 7.397 2.267 ( 5.124 -4.531 -0.625) 6.868 2.340 ( -0.637 -1.864 2.385) 3.093 2.437 ( -3.999 3.060 1.474) 5.247 2.513 ( 1.210 -0.035 3.711) 3.903 2.634 ( -1.638 0.125 -4.488) 4.779 2.914 ( 0.273 -3.103 -0.211) 3.122 3.381 ( -1.963 -8.952 -1.304) 9.257 3.453 ( -3.239 -9.591 2.046) 10.328 3.616 ( -0.192 -10.682 -0.203) 10.685 3.702 ( 1.749 -0.849 1.223) 2.297 3.852 ( -1.372 -6.831 -0.140) 6.969 4.006 ( -4.521 -3.002 0.868) 5.495 4.115 ( 0.636 -1.763 0.718) 2.007 4.295 ( -0.845 -6.430 -4.434) 7.856 4.394 ( 3.536 -7.579 6.099) 10.351 4.964 ( -4.224 -16.303 -1.254) 16.888 5.162 ( -6.736 -9.247 -1.324) 11.517 5.253 ( -0.987 -0.436 -1.077) 1.525 5.559 ( 2.734 -3.444 -4.268) 6.128 5.600 ( 4.992 -6.893 1.052) 8.576 5.761 ( 1.110 -0.817 -2.557) 2.905 5.937 ( -4.109 -0.920 1.225) 4.385 6.397 ( 7.188 -0.498 9.720) 12.100 6.726 ( 1.537 2.323 -10.087) 10.464 6.890 ( -4.037 4.072 4.704) 7.417 7.221 ( 0.085 -18.317 2.050) 18.431 8.265 ( -2.052 1.720 0.738) 2.778 9.646 ( 0.199 4.275 0.061) 4.280 12.636 ( -0.294 -0.770 0.071) 0.828 13.105 ( 2.914 2.114 -0.010) 3.600 13.883 ( -0.241 9.242 1.621) 9.387 14.318 ( 1.031 5.408 -2.789) 6.172 14.848 ( -5.968 -13.435 1.125) 14.744 16.390 ( 2.883 3.077 0.155) 4.220 ======================= Grid point 272 (132/140) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -1.149 -1.789 0.513) 2.187 1.117 ( 1.856 -0.715 1.117) 2.281 1.224 ( -1.051 -3.186 -2.288) 4.061 1.237 ( 4.249 -5.654 -2.458) 7.488 1.291 ( -0.521 0.899 1.390) 1.735 1.390 ( -2.165 -2.366 1.134) 3.402 1.500 ( -1.414 0.979 1.495) 2.279 1.540 ( 2.763 -3.467 -0.712) 4.490 1.562 ( -2.421 -0.184 2.266) 3.321 1.633 ( 0.677 1.484 1.232) 2.044 1.854 ( 1.851 6.056 3.667) 7.318 1.919 ( -2.698 0.603 -0.934) 2.918 2.076 ( 3.516 -4.233 -2.249) 5.945 2.146 ( 2.190 -2.600 -3.872) 5.153 2.312 ( -4.781 0.008 -0.474) 4.804 2.356 ( -0.717 -1.064 -0.826) 1.526 2.470 ( 4.319 -4.883 1.999) 6.819 2.547 ( 1.672 -0.571 3.442) 3.870 2.623 ( -1.147 -1.146 -3.626) 3.972 2.962 ( 0.068 -1.913 -0.303) 1.938 3.462 ( -1.685 -3.369 -0.614) 3.817 3.645 ( -1.464 -9.937 1.128) 10.107 3.688 ( -1.638 -0.749 1.049) 2.084 3.806 ( 2.170 -5.984 -0.574) 6.392 3.946 ( -1.939 -3.632 -1.433) 4.360 4.061 ( -3.639 -6.172 2.491) 7.585 4.146 ( -0.080 -1.261 -0.524) 1.368 4.404 ( 2.528 -5.963 -1.139) 6.576 4.614 ( 2.810 -9.809 3.076) 10.657 5.135 ( -7.679 -7.205 -0.282) 10.533 5.255 ( -1.450 -0.989 1.389) 2.239 5.334 ( -3.614 -12.932 -0.316) 13.431 5.660 ( 3.587 -5.336 -7.681) 10.017 5.713 ( -1.779 2.229 -2.236) 3.624 5.792 ( 6.167 -8.758 1.370) 10.799 6.013 ( -1.165 -5.006 1.167) 5.271 6.476 ( 7.258 0.869 9.809) 12.234 6.648 ( 0.263 3.689 -6.672) 7.628 6.801 ( -5.292 1.516 0.973) 5.590 7.538 ( -0.243 -13.298 0.340) 13.304 8.224 ( -0.458 1.275 0.765) 1.556 9.567 ( 0.010 3.950 -0.010) 3.950 12.650 ( -0.163 -0.819 0.057) 0.837 13.077 ( 1.192 2.633 -0.073) 2.891 13.729 ( 0.117 6.918 0.329) 6.927 14.237 ( 2.864 4.987 -1.097) 5.855 15.034 ( -5.971 -11.749 0.710) 13.198 16.350 ( 2.149 3.404 0.005) 4.026 ======================= Grid point 273 (133/140) ======================= q-point: ( 0.67 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.088 -1.829 -0.291) 1.854 1.129 ( 0.452 0.591 0.806) 1.096 1.231 ( -0.772 2.686 -0.938) 2.948 1.267 ( -1.966 -3.109 -0.658) 3.737 1.372 ( 1.913 -3.233 1.375) 4.000 1.427 ( 0.155 -2.253 -1.709) 2.832 1.477 ( -0.382 0.036 1.791) 1.832 1.488 ( -0.975 4.704 0.243) 4.811 1.620 ( 1.300 -3.004 -0.346) 3.292 1.674 ( 3.339 -1.958 1.524) 4.161 1.767 ( 0.872 3.924 1.834) 4.418 1.890 ( -2.991 -0.248 -0.696) 3.081 2.137 ( 4.741 1.545 0.908) 5.069 2.183 ( -0.376 -0.946 3.156) 3.316 2.244 ( -5.359 0.771 -7.308) 9.095 2.395 ( -0.429 -2.957 -0.026) 2.988 2.535 ( 0.060 3.274 1.650) 3.667 2.578 ( 2.711 -2.014 2.592) 4.257 2.653 ( 0.808 -2.772 -3.067) 4.212 2.983 ( -0.030 -0.291 -0.176) 0.342 3.488 ( -1.210 -1.054 0.057) 1.606 3.700 ( -0.824 -1.517 -0.047) 1.727 3.775 ( -0.492 -4.781 0.340) 4.818 3.898 ( 3.144 -1.851 -0.677) 3.711 3.965 ( -3.157 -1.325 -0.324) 3.439 4.134 ( -0.223 -1.688 3.565) 3.951 4.160 ( -1.478 -1.337 -2.870) 3.494 4.523 ( 2.704 -3.448 0.078) 4.382 4.771 ( 2.130 -3.774 1.223) 4.503 5.153 ( -5.917 -1.728 -0.251) 6.169 5.265 ( -0.962 -0.876 1.169) 1.749 5.516 ( -0.836 -7.406 0.437) 7.466 5.664 ( -0.688 0.702 -2.353) 2.550 5.767 ( 0.195 -4.637 -2.719) 5.379 6.010 ( 3.956 -1.159 -2.412) 4.776 6.036 ( 1.780 -4.465 2.458) 5.399 6.501 ( 4.042 3.902 5.307) 7.728 6.606 ( -1.299 -0.507 -0.459) 1.468 6.749 ( -2.749 0.032 -2.177) 3.506 7.663 ( -1.867 -0.736 -0.354) 2.038 8.233 ( 0.960 -1.993 0.536) 2.276 9.511 ( -0.081 1.768 -0.048) 1.770 12.662 ( -0.037 -0.456 0.019) 0.458 13.034 ( -0.107 2.158 -0.063) 2.162 13.634 ( 0.733 3.870 0.078) 3.939 14.183 ( 1.098 1.826 -0.272) 2.148 15.184 ( -2.630 -7.796 0.202) 8.231 16.304 ( 1.021 2.800 -0.026) 2.980 ======================= Grid point 274 (134/140) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.000 0.967 -0.000) 0.967 1.107 ( -0.000 1.968 0.000) 1.968 1.165 ( 0.000 3.797 0.000) 3.797 1.294 ( 0.000 -0.383 0.000) 0.383 1.371 ( 0.000 7.594 0.000) 7.594 1.402 ( 0.000 0.028 0.000) 0.028 1.467 ( -0.000 -2.558 0.000) 2.558 1.517 ( 0.000 -3.499 0.000) 3.499 1.669 ( 0.000 -1.477 0.000) 1.477 1.742 ( -0.000 -2.384 0.000) 2.384 1.768 ( -0.000 -4.344 0.000) 4.344 1.886 ( 0.000 -1.009 0.000) 1.009 2.073 ( 0.000 6.681 0.000) 6.681 2.194 ( 0.000 0.034 -0.000) 0.034 2.206 ( -0.000 1.244 0.000) 1.244 2.433 ( -0.000 -0.724 0.000) 0.724 2.446 ( -0.000 5.441 0.000) 5.441 2.609 ( -0.000 -0.595 0.000) 0.595 2.697 ( 0.000 -1.081 0.000) 1.081 2.973 ( 0.000 1.274 0.000) 1.274 3.499 ( 0.000 -1.031 0.000) 1.031 3.716 ( -0.000 -0.165 0.000) 0.165 3.818 ( -0.000 -0.068 0.000) 0.068 3.915 ( -0.000 2.640 0.000) 2.640 3.953 ( 0.000 0.063 0.000) 0.063 4.133 ( 0.000 3.678 0.000) 3.678 4.148 ( -0.000 0.063 -0.000) 0.063 4.543 ( 0.000 2.880 0.000) 2.880 4.777 ( -0.000 4.305 0.000) 4.305 5.125 ( -0.000 1.692 0.000) 1.692 5.277 ( -0.000 -0.636 0.000) 0.636 5.567 ( -0.000 1.487 0.000) 1.487 5.668 ( -0.000 -1.480 0.000) 1.480 5.814 ( 0.000 -0.128 0.000) 0.128 5.880 ( -0.000 10.045 0.000) 10.045 6.195 ( -0.000 -3.548 0.000) 3.548 6.434 ( -0.000 3.523 0.000) 3.523 6.603 ( 0.000 0.997 0.000) 0.997 6.769 ( 0.000 -3.982 0.000) 3.982 7.560 ( 0.000 9.811 0.000) 9.811 8.292 ( -0.000 -3.036 0.000) 3.036 9.507 ( -0.000 -1.311 0.000) 1.311 12.664 ( 0.000 0.175 0.000) 0.175 13.005 ( -0.000 0.758 0.000) 0.758 13.590 ( -0.000 1.369 0.000) 1.369 14.208 ( 0.000 -4.497 0.000) 4.497 15.259 ( -0.000 -0.650 0.000) 0.650 16.270 ( -0.000 1.128 0.000) 1.128 ======================= Grid point 280 (135/140) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 10.672 0.000 -6.665) 12.582 0.968 ( 12.079 0.000 -2.126) 12.265 1.056 ( 4.848 0.000 8.647) 9.914 1.156 ( -1.994 -0.000 1.865) 2.730 1.190 ( 1.232 0.000 6.916) 7.025 1.327 ( -6.337 -0.000 3.588) 7.282 1.386 ( -4.531 -0.000 3.518) 5.737 1.414 ( -5.268 -0.000 -2.609) 5.878 1.563 ( -2.826 -0.000 -3.384) 4.409 1.610 ( -1.154 -0.000 -1.926) 2.245 1.620 ( -3.081 -0.000 -4.013) 5.060 1.924 ( 3.998 0.000 -2.936) 4.961 2.021 ( 1.300 0.000 -2.379) 2.711 2.073 ( 2.231 0.000 1.289) 2.577 2.142 ( 7.395 0.000 -1.100) 7.476 2.301 ( -4.153 -0.000 4.662) 6.244 2.530 ( 0.510 0.000 3.275) 3.315 2.559 ( -3.602 -0.000 -1.733) 3.997 2.692 ( -4.216 -0.000 -4.921) 6.479 2.820 ( 0.172 0.000 0.231) 0.288 3.061 ( 0.191 0.000 -0.514) 0.548 3.290 ( -2.335 -0.000 0.436) 2.375 3.340 ( 0.202 0.000 -0.480) 0.520 3.600 ( 0.327 0.000 -0.152) 0.361 3.788 ( 0.427 0.000 1.742) 1.794 3.958 ( -4.339 -0.000 -1.056) 4.466 4.010 ( -0.585 -0.000 0.230) 0.629 4.144 ( 2.102 0.000 2.023) 2.918 4.383 ( -2.712 -0.000 -0.607) 2.779 4.493 ( -0.189 -0.000 -0.061) 0.198 4.983 ( -5.733 -0.000 -1.889) 6.036 5.245 ( -0.904 -0.000 -1.528) 1.775 5.405 ( 3.659 0.000 -0.052) 3.660 5.532 ( 3.597 0.000 -3.183) 4.803 5.644 ( -0.238 -0.000 2.535) 2.546 6.237 ( -0.684 -0.000 -0.970) 1.187 6.410 ( -1.510 -0.000 -0.003) 1.510 6.449 ( 9.551 0.000 6.936) 11.804 6.804 ( 1.522 0.000 -3.230) 3.571 7.089 ( -8.703 -0.000 2.807) 9.145 8.299 ( -2.404 -0.000 1.016) 2.610 9.741 ( 0.234 0.000 0.037) 0.237 12.620 ( -0.354 -0.000 0.034) 0.356 13.152 ( 4.246 0.000 0.091) 4.247 14.127 ( -8.870 -0.000 5.075) 10.219 14.438 ( 0.190 0.000 -0.032) 0.192 14.506 ( 2.367 0.000 -4.945) 5.482 16.456 ( 2.900 0.000 0.484) 2.940 ======================= Grid point 281 (136/140) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 9.096 -5.421 -4.124) 11.364 1.055 ( -1.111 2.329 2.395) 3.521 1.070 ( 9.059 -1.866 -2.347) 9.542 1.168 ( 0.831 0.256 2.540) 2.684 1.255 ( -1.310 -3.739 4.666) 6.121 1.307 ( -7.064 -2.065 4.268) 8.507 1.367 ( -1.049 -2.907 3.343) 4.552 1.413 ( -1.985 -3.873 -1.687) 4.667 1.547 ( -3.748 -0.699 -0.296) 3.824 1.612 ( -0.077 -2.373 -2.295) 3.302 1.722 ( -1.806 -10.950 -3.234) 11.559 1.953 ( 1.502 -1.055 -1.108) 2.144 2.020 ( 2.311 0.394 -3.711) 4.390 2.065 ( 0.845 2.767 1.067) 3.084 2.235 ( 5.753 -3.323 -1.325) 6.775 2.302 ( -0.171 -1.756 3.950) 4.326 2.493 ( -3.000 3.732 -0.303) 4.798 2.534 ( 0.647 0.537 3.588) 3.685 2.619 ( -3.150 1.986 -5.376) 6.540 2.855 ( 0.080 -3.048 0.041) 3.049 3.165 ( -0.044 -10.147 -0.307) 10.151 3.315 ( -2.909 -4.027 0.550) 4.998 3.423 ( 0.592 -8.536 -0.361) 8.565 3.656 ( 0.828 -5.195 -0.062) 5.260 3.777 ( -1.861 0.460 1.426) 2.389 3.932 ( -3.757 -1.120 -1.275) 4.123 4.074 ( 0.529 -5.760 1.595) 6.000 4.173 ( 1.145 -1.562 0.568) 2.018 4.352 ( -0.034 -1.162 0.851) 1.441 4.643 ( -2.045 -13.620 -0.901) 13.802 4.981 ( -4.784 -4.546 -0.787) 6.646 5.238 ( -0.539 -0.188 -1.394) 1.507 5.479 ( 2.015 -4.577 -0.304) 5.010 5.576 ( 5.582 -2.099 -3.634) 6.984 5.687 ( -1.335 -4.741 2.314) 5.442 6.025 ( -2.542 12.042 -1.313) 12.377 6.465 ( 7.060 -1.331 9.288) 11.742 6.689 ( 0.333 -7.610 -8.041) 11.076 6.869 ( 1.752 -10.119 1.558) 10.387 6.989 ( -6.632 3.142 2.632) 7.796 8.276 ( -1.641 0.867 0.784) 2.015 9.716 ( 0.148 2.784 0.019) 2.788 12.622 ( -0.258 -0.474 0.035) 0.540 13.170 ( 3.500 1.691 0.081) 3.888 13.996 ( -7.437 5.424 1.014) 9.261 14.428 ( 5.307 2.891 -1.452) 6.216 14.594 ( -3.280 -8.053 0.325) 8.702 16.460 ( 2.217 1.891 0.321) 2.932 ======================= Grid point 282 (137/140) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -1.135 0.369 0.600) 1.336 1.121 ( 3.614 -1.663 0.049) 3.978 1.170 ( -1.571 -1.125 -0.625) 2.031 1.180 ( 5.902 -4.009 -2.152) 7.452 1.285 ( -1.186 -1.309 1.047) 2.053 1.310 ( -4.088 -3.545 2.041) 5.784 1.474 ( 0.539 -4.962 0.238) 4.997 1.486 ( 0.616 -3.545 1.480) 3.891 1.520 ( -3.024 -0.339 0.264) 3.054 1.655 ( 1.008 -0.848 0.083) 1.320 1.873 ( -2.030 -4.413 -1.509) 5.086 1.986 ( 1.006 3.011 5.829) 6.638 2.014 ( 3.230 -2.028 -2.964) 4.830 2.063 ( -0.359 -4.723 -5.016) 6.899 2.288 ( -1.423 -0.816 1.067) 1.957 2.374 ( 0.569 3.280 -1.377) 3.602 2.423 ( 3.864 -4.048 2.504) 6.131 2.548 ( 0.292 -0.802 4.083) 4.171 2.573 ( -2.844 -0.773 -5.469) 6.213 2.915 ( -0.013 -3.059 -0.076) 3.060 3.367 ( 0.524 -6.230 -1.050) 6.339 3.411 ( -2.262 -12.339 1.224) 12.605 3.610 ( -0.357 -9.105 0.072) 9.112 3.730 ( 1.035 -0.829 0.254) 1.350 3.825 ( -1.388 -8.264 0.126) 8.381 3.937 ( -2.475 -2.684 -0.399) 3.673 4.149 ( 1.581 0.193 2.777) 3.202 4.266 ( -0.854 -8.812 -3.025) 9.356 4.455 ( 1.444 -8.586 2.233) 8.988 4.898 ( -2.438 -13.965 -0.378) 14.182 5.073 ( -2.957 -9.574 0.008) 10.020 5.238 ( -0.262 -0.477 -0.909) 1.059 5.573 ( 0.761 -4.732 -1.882) 5.149 5.691 ( 3.547 -5.278 0.063) 6.359 5.783 ( 3.899 0.821 -3.153) 5.082 5.862 ( -5.625 -3.836 2.537) 7.265 6.564 ( 7.388 -0.326 10.046) 12.475 6.693 ( -1.668 0.773 -10.641) 10.799 6.821 ( -4.148 6.468 2.475) 8.073 7.228 ( 0.013 -19.239 0.733) 19.253 8.246 ( -0.595 1.331 0.459) 1.528 9.648 ( 0.045 4.338 0.002) 4.338 12.633 ( -0.124 -0.814 0.028) 0.824 13.145 ( 1.500 3.141 0.005) 3.480 13.845 ( -2.482 6.216 0.097) 6.694 14.380 ( 4.439 6.735 -0.714) 8.098 14.754 ( -4.530 -12.789 0.528) 13.578 16.427 ( 1.223 3.133 0.091) 3.365 ======================= Grid point 283 (138/140) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.000 -2.120 0.000) 2.120 1.139 ( -0.000 0.276 -0.000) 0.276 1.202 ( -0.000 -2.803 0.000) 2.803 1.249 ( -0.000 -0.870 -0.000) 0.870 1.330 ( -0.000 -2.255 0.000) 2.255 1.358 ( 0.000 -4.153 0.000) 4.153 1.487 ( -0.000 0.863 0.000) 0.863 1.538 ( -0.000 0.429 0.000) 0.429 1.560 ( -0.000 -3.841 0.000) 3.841 1.663 ( -0.000 -0.476 -0.000) 0.476 1.881 ( -0.000 0.455 0.000) 0.455 1.885 ( 0.000 6.696 -0.000) 6.696 2.133 ( 0.000 -4.121 0.000) 4.121 2.139 ( -0.000 -4.677 -0.000) 4.677 2.248 ( 0.000 3.283 -0.000) 3.283 2.346 ( -0.000 -1.376 0.000) 1.376 2.556 ( -0.000 -3.746 -0.000) 3.746 2.569 ( 0.000 -1.384 -0.000) 1.384 2.572 ( -0.000 -2.065 0.000) 2.065 2.962 ( -0.000 -1.905 0.000) 1.905 3.447 ( -0.000 -3.192 0.000) 3.192 3.634 ( -0.000 -10.266 0.000) 10.266 3.672 ( -0.000 -0.730 0.000) 0.730 3.829 ( -0.000 -6.611 0.000) 6.611 3.922 ( -0.000 -2.211 0.000) 2.211 4.029 ( -0.000 -7.636 0.000) 7.636 4.151 ( -0.000 0.037 0.000) 0.037 4.422 ( -0.000 -7.878 0.000) 7.878 4.649 ( -0.000 -9.727 0.000) 9.727 5.062 ( -0.000 -5.729 0.000) 5.729 5.248 ( -0.000 -0.753 0.000) 0.753 5.300 ( -0.000 -14.112 -0.000) 14.112 5.669 ( 0.000 -5.359 -0.000) 5.359 5.692 ( -0.000 2.969 0.000) 2.969 5.866 ( -0.000 -8.918 0.000) 8.918 5.998 ( 0.000 -6.405 -0.000) 6.405 6.596 ( -0.000 2.843 -0.000) 2.843 6.630 ( -0.000 3.334 0.000) 3.334 6.727 ( 0.000 0.497 0.000) 0.497 7.532 ( -0.000 -12.376 0.000) 12.376 8.224 ( -0.000 0.576 0.000) 0.576 9.567 ( -0.000 4.013 0.000) 4.013 12.649 ( -0.000 -0.856 0.000) 0.856 13.088 ( -0.000 3.343 0.000) 3.343 13.726 ( -0.000 5.579 0.000) 5.579 14.268 ( -0.000 6.239 0.000) 6.239 14.978 ( -0.000 -12.435 0.000) 12.435 16.369 ( -0.000 3.494 0.000) 3.494 ======================= Grid point 291 (139/140) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 10.635 0.000 -4.897) 11.708 1.076 ( 1.369 0.000 -3.245) 3.522 1.128 ( -2.091 -0.000 3.808) 4.345 1.170 ( 3.006 0.000 2.846) 4.139 1.235 ( 1.083 0.000 3.134) 3.316 1.239 ( -4.261 -0.000 6.907) 8.115 1.326 ( -3.368 -0.000 2.089) 3.964 1.333 ( -2.541 -0.000 -4.421) 5.099 1.527 ( -0.084 -0.000 1.152) 1.155 1.569 ( -1.361 -0.000 -1.686) 2.167 1.573 ( -1.908 -0.000 -3.774) 4.229 1.949 ( 0.697 0.000 -1.558) 1.707 2.037 ( 1.035 0.000 -0.933) 1.393 2.102 ( 0.773 0.000 0.439) 0.889 2.228 ( 0.847 0.000 -0.667) 1.078 2.310 ( 4.407 0.000 2.687) 5.162 2.492 ( -3.483 -0.000 -0.954) 3.611 2.552 ( 0.452 0.000 2.185) 2.231 2.619 ( -2.144 -0.000 -3.232) 3.878 2.823 ( 0.036 0.000 0.091) 0.097 3.065 ( 0.316 0.000 -0.223) 0.387 3.256 ( -1.347 -0.000 0.246) 1.369 3.346 ( 0.361 0.000 -0.262) 0.446 3.603 ( 0.045 0.000 -0.060) 0.075 3.778 ( -1.403 -0.000 0.671) 1.555 3.897 ( -1.744 -0.000 -0.851) 1.941 4.005 ( -0.184 -0.000 0.105) 0.211 4.200 ( 2.676 0.000 3.896) 4.726 4.330 ( -2.695 -0.000 -2.709) 3.821 4.490 ( -0.085 -0.000 -0.025) 0.089 4.911 ( -2.204 -0.000 -0.052) 2.205 5.231 ( -0.248 -0.000 -0.819) 0.856 5.449 ( 1.480 0.000 -0.019) 1.480 5.585 ( 4.410 0.000 -5.296) 6.891 5.631 ( -2.904 -0.000 4.610) 5.448 6.232 ( 0.206 0.000 -0.788) 0.815 6.391 ( -0.651 -0.000 -0.002) 0.651 6.593 ( 4.320 0.000 4.278) 6.080 6.789 ( -1.088 -0.000 -2.572) 2.793 7.004 ( -2.684 -0.000 1.165) 2.926 8.274 ( -0.927 -0.000 0.467) 1.038 9.743 ( 0.070 0.000 0.001) 0.070 12.616 ( -0.140 -0.000 0.014) 0.141 13.213 ( 2.397 0.000 0.093) 2.398 13.983 ( -6.003 -0.000 0.129) 6.004 14.440 ( 0.075 0.000 -0.013) 0.076 14.558 ( 2.422 0.000 -0.246) 2.435 16.493 ( 1.176 0.000 0.226) 1.197 ======================= Grid point 292 (140/140) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.000 2.320 0.000) 2.320 1.110 ( -0.000 -2.236 0.000) 2.236 1.128 ( 0.000 -2.583 -0.000) 2.583 1.181 ( -0.000 0.598 0.000) 0.598 1.231 ( -0.000 -1.225 0.000) 1.225 1.244 ( -0.000 -1.803 -0.000) 1.803 1.378 ( -0.000 -5.099 0.000) 5.099 1.387 ( -0.000 -5.900 0.000) 5.900 1.521 ( -0.000 0.715 -0.000) 0.715 1.605 ( -0.000 -4.160 0.000) 4.160 1.694 ( -0.000 -11.210 0.000) 11.210 1.962 ( -0.000 -1.728 0.000) 1.728 2.032 ( -0.000 0.687 -0.000) 0.687 2.075 ( -0.000 3.058 0.000) 3.058 2.254 ( -0.000 -2.086 0.000) 2.086 2.365 ( -0.000 -3.103 0.000) 3.103 2.453 ( -0.000 2.685 0.000) 2.685 2.551 ( -0.000 0.260 -0.000) 0.260 2.566 ( 0.000 2.854 0.000) 2.854 2.855 ( -0.000 -3.010 0.000) 3.010 3.166 ( -0.000 -10.145 0.000) 10.145 3.290 ( -0.000 -3.611 0.000) 3.611 3.427 ( -0.000 -8.326 0.000) 8.326 3.665 ( -0.000 -6.462 0.000) 6.462 3.755 ( -0.000 1.533 0.000) 1.533 3.898 ( -0.000 -0.940 0.000) 0.940 4.084 ( -0.000 -7.928 0.000) 7.928 4.190 ( -0.000 2.092 0.000) 2.092 4.347 ( -0.000 -3.812 -0.000) 3.812 4.624 ( -0.000 -12.632 0.000) 12.632 4.940 ( -0.000 -4.088 0.000) 4.088 5.231 ( -0.000 -0.171 0.000) 0.171 5.495 ( -0.000 -3.706 0.000) 3.706 5.639 ( -0.000 -2.295 0.000) 2.295 5.661 ( 0.000 -6.360 -0.000) 6.360 5.999 ( -0.000 13.221 0.000) 13.221 6.590 ( -0.000 -7.115 0.000) 7.115 6.627 ( -0.000 -1.133 -0.000) 1.133 6.889 ( -0.000 -14.040 0.000) 14.040 6.937 ( -0.000 5.747 0.000) 5.747 8.264 ( -0.000 0.741 0.000) 0.741 9.717 ( -0.000 2.789 0.000) 2.789 12.620 ( -0.000 -0.482 0.000) 0.482 13.203 ( -0.000 2.086 0.000) 2.086 13.923 ( -0.000 3.608 0.000) 3.608 14.519 ( -0.000 4.958 0.000) 4.958 14.525 ( 0.000 -8.695 -0.000) 8.695 16.480 ( -0.000 1.882 0.000) 1.882 =================== 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 3/23328 10.0 46.230 46.022 34.114 0.000 7.684 0.000 3/23328 20.0 9.287 10.067 7.677 0.000 1.466 0.000 3/23328 30.0 4.606 4.958 3.878 0.000 0.667 0.000 3/23328 40.0 2.961 3.168 2.529 -0.000 0.397 0.000 3/23328 50.0 2.156 2.308 1.864 -0.000 0.270 0.000 3/23328 60.0 1.692 1.818 1.478 -0.000 0.200 0.000 3/23328 70.0 1.393 1.506 1.228 -0.000 0.157 0.000 3/23328 80.0 1.187 1.291 1.053 -0.000 0.128 0.000 3/23328 90.0 1.036 1.133 0.924 -0.000 0.108 0.000 3/23328 100.0 0.920 1.011 0.825 -0.000 0.093 0.000 3/23328 110.0 0.828 0.915 0.745 -0.000 0.081 0.000 3/23328 120.0 0.754 0.836 0.680 -0.000 0.072 0.000 3/23328 130.0 0.693 0.770 0.626 -0.000 0.065 0.000 3/23328 140.0 0.641 0.715 0.580 -0.000 0.059 0.000 3/23328 150.0 0.596 0.667 0.541 -0.000 0.055 0.000 3/23328 160.0 0.558 0.625 0.507 -0.000 0.051 0.000 3/23328 170.0 0.524 0.588 0.477 -0.000 0.047 0.000 3/23328 180.0 0.494 0.556 0.450 -0.000 0.044 0.000 3/23328 190.0 0.468 0.527 0.426 -0.000 0.042 0.000 3/23328 200.0 0.444 0.501 0.405 -0.000 0.039 0.000 3/23328 210.0 0.423 0.478 0.385 -0.000 0.037 0.000 3/23328 220.0 0.404 0.456 0.368 -0.000 0.035 0.000 3/23328 230.0 0.386 0.437 0.352 -0.000 0.034 0.000 3/23328 240.0 0.370 0.419 0.337 -0.000 0.032 0.000 3/23328 250.0 0.355 0.402 0.324 -0.000 0.031 0.000 3/23328 260.0 0.341 0.387 0.312 -0.000 0.030 0.000 3/23328 270.0 0.329 0.373 0.300 -0.000 0.028 0.000 3/23328 280.0 0.317 0.360 0.289 -0.000 0.027 0.000 3/23328 290.0 0.306 0.348 0.280 -0.000 0.026 0.000 3/23328 300.0 0.296 0.336 0.270 -0.000 0.025 0.000 3/23328 310.0 0.287 0.326 0.262 -0.000 0.025 0.000 3/23328 320.0 0.278 0.316 0.254 -0.000 0.024 0.000 3/23328 330.0 0.269 0.306 0.246 -0.000 0.023 0.000 3/23328 340.0 0.261 0.297 0.239 -0.000 0.022 0.000 3/23328 350.0 0.254 0.289 0.232 -0.000 0.022 0.000 3/23328 360.0 0.247 0.281 0.226 -0.000 0.021 0.000 3/23328 370.0 0.240 0.274 0.219 -0.000 0.021 0.000 3/23328 380.0 0.234 0.267 0.214 -0.000 0.020 0.000 3/23328 390.0 0.228 0.260 0.208 -0.000 0.019 0.000 3/23328 400.0 0.222 0.253 0.203 -0.000 0.019 0.000 3/23328 410.0 0.217 0.247 0.198 -0.000 0.019 0.000 3/23328 420.0 0.212 0.242 0.194 -0.000 0.018 0.000 3/23328 430.0 0.207 0.236 0.189 -0.000 0.018 0.000 3/23328 440.0 0.202 0.231 0.185 -0.000 0.017 0.000 3/23328 450.0 0.198 0.226 0.181 -0.000 0.017 0.000 3/23328 460.0 0.194 0.221 0.177 -0.000 0.017 0.000 3/23328 470.0 0.190 0.216 0.173 -0.000 0.016 0.000 3/23328 480.0 0.186 0.212 0.170 -0.000 0.016 0.000 3/23328 490.0 0.182 0.207 0.166 -0.000 0.015 0.000 3/23328 500.0 0.178 0.203 0.163 -0.000 0.015 0.000 3/23328 510.0 0.175 0.199 0.160 -0.000 0.015 0.000 3/23328 520.0 0.171 0.196 0.157 -0.000 0.015 0.000 3/23328 530.0 0.168 0.192 0.154 -0.000 0.014 0.000 3/23328 540.0 0.165 0.188 0.151 -0.000 0.014 0.000 3/23328 550.0 0.162 0.185 0.148 -0.000 0.014 0.000 3/23328 560.0 0.159 0.182 0.145 -0.000 0.014 0.000 3/23328 570.0 0.156 0.179 0.143 -0.000 0.013 0.000 3/23328 580.0 0.154 0.176 0.140 -0.000 0.013 0.000 3/23328 590.0 0.151 0.173 0.138 -0.000 0.013 0.000 3/23328 600.0 0.149 0.170 0.136 -0.000 0.013 0.000 3/23328 610.0 0.146 0.167 0.134 -0.000 0.012 0.000 3/23328 620.0 0.144 0.164 0.131 -0.000 0.012 0.000 3/23328 630.0 0.142 0.162 0.129 -0.000 0.012 0.000 3/23328 640.0 0.139 0.159 0.127 -0.000 0.012 0.000 3/23328 650.0 0.137 0.157 0.125 -0.000 0.012 0.000 3/23328 660.0 0.135 0.155 0.124 -0.000 0.012 0.000 3/23328 670.0 0.133 0.152 0.122 -0.000 0.011 0.000 3/23328 680.0 0.131 0.150 0.120 -0.000 0.011 0.000 3/23328 690.0 0.129 0.148 0.118 -0.000 0.011 0.000 3/23328 700.0 0.128 0.146 0.116 -0.000 0.011 0.000 3/23328 710.0 0.126 0.144 0.115 -0.000 0.011 0.000 3/23328 720.0 0.124 0.142 0.113 -0.000 0.011 0.000 3/23328 730.0 0.122 0.140 0.112 -0.000 0.010 0.000 3/23328 740.0 0.121 0.138 0.110 -0.000 0.010 0.000 3/23328 750.0 0.119 0.136 0.109 -0.000 0.010 0.000 3/23328 760.0 0.118 0.134 0.107 -0.000 0.010 0.000 3/23328 770.0 0.116 0.133 0.106 -0.000 0.010 0.000 3/23328 780.0 0.115 0.131 0.105 -0.000 0.010 0.000 3/23328 790.0 0.113 0.129 0.103 -0.000 0.010 0.000 3/23328 800.0 0.112 0.128 0.102 -0.000 0.009 0.000 3/23328 810.0 0.110 0.126 0.101 -0.000 0.009 0.000 3/23328 820.0 0.109 0.125 0.100 -0.000 0.009 0.000 3/23328 830.0 0.108 0.123 0.098 -0.000 0.009 0.000 3/23328 840.0 0.106 0.122 0.097 -0.000 0.009 0.000 3/23328 850.0 0.105 0.120 0.096 -0.000 0.009 0.000 3/23328 860.0 0.104 0.119 0.095 -0.000 0.009 0.000 3/23328 870.0 0.103 0.117 0.094 -0.000 0.009 0.000 3/23328 880.0 0.102 0.116 0.093 -0.000 0.009 0.000 3/23328 890.0 0.100 0.115 0.092 -0.000 0.009 0.000 3/23328 900.0 0.099 0.114 0.091 -0.000 0.008 0.000 3/23328 910.0 0.098 0.112 0.090 -0.000 0.008 0.000 3/23328 920.0 0.097 0.111 0.089 -0.000 0.008 0.000 3/23328 930.0 0.096 0.110 0.088 -0.000 0.008 0.000 3/23328 940.0 0.095 0.109 0.087 -0.000 0.008 0.000 3/23328 950.0 0.094 0.108 0.086 -0.000 0.008 0.000 3/23328 960.0 0.093 0.107 0.085 -0.000 0.008 0.000 3/23328 970.0 0.092 0.105 0.084 -0.000 0.008 0.000 3/23328 980.0 0.091 0.104 0.083 -0.000 0.008 0.000 3/23328 990.0 0.090 0.103 0.082 -0.000 0.008 0.000 3/23328 1000.0 0.089 0.102 0.082 -0.000 0.008 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:16:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|