----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:03:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pc (7) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.551334926480364 0.000000000000000 0.000000000000000 b 0.000000000000000 12.420298960000000 0.000000000000000 c -4.934905792442459 0.000000000000000 6.353535501723351 Atomic positions (fractional): *1 As 0.67076860447610 0.42034681542901 0.82402916081056 74.922 2 As 0.67076860447610 0.57965318457099 0.32402916081056 74.922 *3 As 0.52469843030610 0.60939367169285 0.74085929955141 74.922 4 As 0.52469843030610 0.39060632830715 0.24085929955141 74.922 *5 As 0.38041557765407 0.34214167111653 0.88304977695768 74.922 6 As 0.38041557765407 0.65785832888347 0.38304977695768 74.922 *7 As 0.00865966872468 0.99458448649367 0.99042882180175 74.922 8 As 0.00865966872468 0.00541551350633 0.49042882180175 74.922 *9 As 0.22150331138999 0.83988248478051 0.68265610715076 74.922 10 As 0.22150331138999 0.16011751521949 0.18265610715076 74.922 *11 As 0.25778802077857 0.84070937269234 0.01736247189413 74.922 12 As 0.25778802077857 0.15929062730766 0.51736247189413 74.922 *13 Ba 0.82845045458973 0.22336396770926 0.64558480929679 137.327 14 Ba 0.82845045458973 0.77663603229074 0.14558480929679 137.327 *15 Ba 0.55496438008270 0.08100393882692 0.01195981582108 137.327 16 Ba 0.55496438008270 0.91899606117308 0.51195981582108 137.327 *17 Ba 0.09885154199806 0.42322286662581 0.35076974671585 137.327 18 Ba 0.09885154199806 0.57677713337419 0.85076974671585 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.551334926480364 0.000000000000000 0.000000000000000 b 0.000000000000000 12.420298960000000 0.000000000000000 c -4.934905792442459 0.000000000000000 6.353535501723351 Atomic positions (fractional): *1 As 0.67076860447610 0.42034681542901 0.82402916081056 74.922 > 1 2 As 0.67076860447610 0.57965318457099 0.32402916081056 74.922 > 2 *3 As 0.52469843030610 0.60939367169285 0.74085929955141 74.922 > 3 4 As 0.52469843030610 0.39060632830715 0.24085929955141 74.922 > 4 *5 As 0.38041557765407 0.34214167111653 0.88304977695768 74.922 > 5 6 As 0.38041557765407 0.65785832888347 0.38304977695768 74.922 > 6 *7 As 0.00865966872468 0.99458448649367 0.99042882180175 74.922 > 7 8 As 0.00865966872468 0.00541551350633 0.49042882180175 74.922 > 8 *9 As 0.22150331138999 0.83988248478051 0.68265610715076 74.922 > 9 10 As 0.22150331138999 0.16011751521949 0.18265610715076 74.922 > 10 *11 As 0.25778802077857 0.84070937269234 0.01736247189413 74.922 > 11 12 As 0.25778802077857 0.15929062730766 0.51736247189413 74.922 > 12 *13 Ba 0.82845045458973 0.22336396770926 0.64558480929679 137.327 > 13 14 Ba 0.82845045458973 0.77663603229074 0.14558480929679 137.327 > 14 *15 Ba 0.55496438008270 0.08100393882692 0.01195981582108 137.327 > 15 16 Ba 0.55496438008270 0.91899606117308 0.51195981582108 137.327 > 16 *17 Ba 0.09885154199806 0.42322286662581 0.35076974671585 137.327 > 17 18 Ba 0.09885154199806 0.57677713337419 0.85076974671585 137.327 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.102669852960728 0.000000000000000 0.000000000000000 b 0.000000000000000 24.840597920000000 0.000000000000000 c -9.869811584884918 0.000000000000000 12.707071003446702 Atomic positions (fractional): *1 As 0.33538430223805 0.21017340771450 0.41201458040528 74.922 > 1 2 As 0.83538430223805 0.21017340771450 0.41201458040528 74.922 > 1 3 As 0.33538430223805 0.71017340771450 0.41201458040528 74.922 > 1 4 As 0.83538430223805 0.71017340771450 0.41201458040528 74.922 > 1 5 As 0.33538430223805 0.21017340771450 0.91201458040528 74.922 > 1 6 As 0.83538430223805 0.21017340771450 0.91201458040528 74.922 > 1 7 As 0.33538430223805 0.71017340771450 0.91201458040528 74.922 > 1 8 As 0.83538430223805 0.71017340771450 0.91201458040528 74.922 > 1 9 As 0.33538430223805 0.28982659228550 0.16201458040528 74.922 > 2 10 As 0.83538430223805 0.28982659228550 0.16201458040528 74.922 > 2 11 As 0.33538430223805 0.78982659228550 0.16201458040528 74.922 > 2 12 As 0.83538430223805 0.78982659228550 0.16201458040528 74.922 > 2 13 As 0.33538430223805 0.28982659228550 0.66201458040528 74.922 > 2 14 As 0.83538430223805 0.28982659228550 0.66201458040528 74.922 > 2 15 As 0.33538430223805 0.78982659228550 0.66201458040528 74.922 > 2 16 As 0.83538430223805 0.78982659228550 0.66201458040528 74.922 > 2 *17 As 0.26234921515305 0.30469683584642 0.37042964977571 74.922 > 3 18 As 0.76234921515305 0.30469683584642 0.37042964977571 74.922 > 3 19 As 0.26234921515305 0.80469683584642 0.37042964977571 74.922 > 3 20 As 0.76234921515305 0.80469683584642 0.37042964977571 74.922 > 3 21 As 0.26234921515305 0.30469683584642 0.87042964977571 74.922 > 3 22 As 0.76234921515305 0.30469683584642 0.87042964977571 74.922 > 3 23 As 0.26234921515305 0.80469683584642 0.87042964977571 74.922 > 3 24 As 0.76234921515305 0.80469683584642 0.87042964977571 74.922 > 3 25 As 0.26234921515305 0.19530316415358 0.12042964977571 74.922 > 4 26 As 0.76234921515305 0.19530316415358 0.12042964977571 74.922 > 4 27 As 0.26234921515305 0.69530316415358 0.12042964977571 74.922 > 4 28 As 0.76234921515305 0.69530316415358 0.12042964977571 74.922 > 4 29 As 0.26234921515305 0.19530316415358 0.62042964977571 74.922 > 4 30 As 0.76234921515305 0.19530316415358 0.62042964977571 74.922 > 4 31 As 0.26234921515305 0.69530316415358 0.62042964977571 74.922 > 4 32 As 0.76234921515305 0.69530316415358 0.62042964977571 74.922 > 4 *33 As 0.19020778882704 0.17107083555827 0.44152488847884 74.922 > 5 34 As 0.69020778882704 0.17107083555827 0.44152488847884 74.922 > 5 35 As 0.19020778882704 0.67107083555827 0.44152488847884 74.922 > 5 36 As 0.69020778882704 0.67107083555827 0.44152488847884 74.922 > 5 37 As 0.19020778882704 0.17107083555827 0.94152488847884 74.922 > 5 38 As 0.69020778882704 0.17107083555827 0.94152488847884 74.922 > 5 39 As 0.19020778882704 0.67107083555827 0.94152488847884 74.922 > 5 40 As 0.69020778882704 0.67107083555827 0.94152488847884 74.922 > 5 41 As 0.19020778882704 0.32892916444173 0.19152488847884 74.922 > 6 42 As 0.69020778882704 0.32892916444173 0.19152488847884 74.922 > 6 43 As 0.19020778882704 0.82892916444173 0.19152488847884 74.922 > 6 44 As 0.69020778882704 0.82892916444173 0.19152488847884 74.922 > 6 45 As 0.19020778882704 0.32892916444173 0.69152488847884 74.922 > 6 46 As 0.69020778882704 0.32892916444173 0.69152488847884 74.922 > 6 47 As 0.19020778882704 0.82892916444173 0.69152488847884 74.922 > 6 48 As 0.69020778882704 0.82892916444173 0.69152488847884 74.922 > 6 *49 As 0.00432983436234 0.49729224324683 0.49521441090087 74.922 > 7 50 As 0.50432983436234 0.49729224324683 0.49521441090087 74.922 > 7 51 As 0.00432983436234 0.99729224324683 0.49521441090087 74.922 > 7 52 As 0.50432983436234 0.99729224324683 0.49521441090087 74.922 > 7 53 As 0.00432983436234 0.49729224324683 0.99521441090087 74.922 > 7 54 As 0.50432983436234 0.49729224324683 0.99521441090087 74.922 > 7 55 As 0.00432983436234 0.99729224324683 0.99521441090087 74.922 > 7 56 As 0.50432983436234 0.99729224324683 0.99521441090087 74.922 > 7 57 As 0.00432983436234 0.00270775675317 0.24521441090088 74.922 > 8 58 As 0.50432983436234 0.00270775675317 0.24521441090088 74.922 > 8 59 As 0.00432983436234 0.50270775675317 0.24521441090088 74.922 > 8 60 As 0.50432983436234 0.50270775675317 0.24521441090088 74.922 > 8 61 As 0.00432983436234 0.00270775675317 0.74521441090088 74.922 > 8 62 As 0.50432983436234 0.00270775675317 0.74521441090088 74.922 > 8 63 As 0.00432983436234 0.50270775675317 0.74521441090088 74.922 > 8 64 As 0.50432983436234 0.50270775675317 0.74521441090088 74.922 > 8 *65 As 0.11075165569500 0.41994124239026 0.34132805357538 74.922 > 9 66 As 0.61075165569500 0.41994124239026 0.34132805357538 74.922 > 9 67 As 0.11075165569500 0.91994124239026 0.34132805357538 74.922 > 9 68 As 0.61075165569500 0.91994124239026 0.34132805357538 74.922 > 9 69 As 0.11075165569500 0.41994124239026 0.84132805357538 74.922 > 9 70 As 0.61075165569500 0.41994124239026 0.84132805357538 74.922 > 9 71 As 0.11075165569500 0.91994124239026 0.84132805357538 74.922 > 9 72 As 0.61075165569500 0.91994124239026 0.84132805357538 74.922 > 9 73 As 0.11075165569500 0.08005875760974 0.09132805357538 74.922 > 10 74 As 0.61075165569500 0.08005875760974 0.09132805357538 74.922 > 10 75 As 0.11075165569500 0.58005875760974 0.09132805357538 74.922 > 10 76 As 0.61075165569500 0.58005875760974 0.09132805357538 74.922 > 10 77 As 0.11075165569500 0.08005875760974 0.59132805357538 74.922 > 10 78 As 0.61075165569500 0.08005875760974 0.59132805357538 74.922 > 10 79 As 0.11075165569500 0.58005875760974 0.59132805357538 74.922 > 10 80 As 0.61075165569500 0.58005875760974 0.59132805357538 74.922 > 10 *81 As 0.12889401038929 0.42035468634617 0.00868123594707 74.922 > 11 82 As 0.62889401038929 0.42035468634617 0.00868123594707 74.922 > 11 83 As 0.12889401038929 0.92035468634617 0.00868123594707 74.922 > 11 84 As 0.62889401038929 0.92035468634617 0.00868123594707 74.922 > 11 85 As 0.12889401038929 0.42035468634617 0.50868123594707 74.922 > 11 86 As 0.62889401038929 0.42035468634617 0.50868123594707 74.922 > 11 87 As 0.12889401038929 0.92035468634617 0.50868123594707 74.922 > 11 88 As 0.62889401038929 0.92035468634617 0.50868123594707 74.922 > 11 89 As 0.12889401038929 0.07964531365383 0.25868123594707 74.922 > 12 90 As 0.62889401038929 0.07964531365383 0.25868123594707 74.922 > 12 91 As 0.12889401038929 0.57964531365383 0.25868123594707 74.922 > 12 92 As 0.62889401038929 0.57964531365383 0.25868123594707 74.922 > 12 93 As 0.12889401038929 0.07964531365383 0.75868123594707 74.922 > 12 94 As 0.62889401038929 0.07964531365383 0.75868123594707 74.922 > 12 95 As 0.12889401038929 0.57964531365383 0.75868123594707 74.922 > 12 96 As 0.62889401038929 0.57964531365383 0.75868123594707 74.922 > 12 *97 Ba 0.41422522729487 0.11168198385463 0.32279240464840 137.327 > 13 98 Ba 0.91422522729487 0.11168198385463 0.32279240464840 137.327 > 13 99 Ba 0.41422522729487 0.61168198385463 0.32279240464840 137.327 > 13 100 Ba 0.91422522729487 0.61168198385463 0.32279240464840 137.327 > 13 101 Ba 0.41422522729487 0.11168198385463 0.82279240464840 137.327 > 13 102 Ba 0.91422522729487 0.11168198385463 0.82279240464840 137.327 > 13 103 Ba 0.41422522729487 0.61168198385463 0.82279240464840 137.327 > 13 104 Ba 0.91422522729487 0.61168198385463 0.82279240464840 137.327 > 13 105 Ba 0.41422522729487 0.38831801614537 0.07279240464840 137.327 > 14 106 Ba 0.91422522729487 0.38831801614537 0.07279240464840 137.327 > 14 107 Ba 0.41422522729487 0.88831801614537 0.07279240464840 137.327 > 14 108 Ba 0.91422522729487 0.88831801614537 0.07279240464840 137.327 > 14 109 Ba 0.41422522729487 0.38831801614537 0.57279240464840 137.327 > 14 110 Ba 0.91422522729487 0.38831801614537 0.57279240464840 137.327 > 14 111 Ba 0.41422522729487 0.88831801614537 0.57279240464840 137.327 > 14 112 Ba 0.91422522729487 0.88831801614537 0.57279240464840 137.327 > 14 *113 Ba 0.27748219004135 0.04050196941346 0.00597990791054 137.327 > 15 114 Ba 0.77748219004135 0.04050196941346 0.00597990791054 137.327 > 15 115 Ba 0.27748219004135 0.54050196941346 0.00597990791054 137.327 > 15 116 Ba 0.77748219004135 0.54050196941346 0.00597990791054 137.327 > 15 117 Ba 0.27748219004135 0.04050196941346 0.50597990791054 137.327 > 15 118 Ba 0.77748219004135 0.04050196941346 0.50597990791054 137.327 > 15 119 Ba 0.27748219004135 0.54050196941346 0.50597990791054 137.327 > 15 120 Ba 0.77748219004135 0.54050196941346 0.50597990791054 137.327 > 15 121 Ba 0.27748219004135 0.45949803058654 0.25597990791054 137.327 > 16 122 Ba 0.77748219004135 0.45949803058654 0.25597990791054 137.327 > 16 123 Ba 0.27748219004135 0.95949803058654 0.25597990791054 137.327 > 16 124 Ba 0.77748219004135 0.95949803058654 0.25597990791054 137.327 > 16 125 Ba 0.27748219004135 0.45949803058654 0.75597990791054 137.327 > 16 126 Ba 0.77748219004135 0.45949803058654 0.75597990791054 137.327 > 16 127 Ba 0.27748219004135 0.95949803058654 0.75597990791054 137.327 > 16 128 Ba 0.77748219004135 0.95949803058654 0.75597990791054 137.327 > 16 *129 Ba 0.04942577099903 0.21161143331291 0.17538487335792 137.327 > 17 130 Ba 0.54942577099903 0.21161143331291 0.17538487335792 137.327 > 17 131 Ba 0.04942577099903 0.71161143331291 0.17538487335792 137.327 > 17 132 Ba 0.54942577099903 0.71161143331291 0.17538487335792 137.327 > 17 133 Ba 0.04942577099903 0.21161143331291 0.67538487335792 137.327 > 17 134 Ba 0.54942577099903 0.21161143331291 0.67538487335792 137.327 > 17 135 Ba 0.04942577099903 0.71161143331291 0.67538487335792 137.327 > 17 136 Ba 0.54942577099903 0.71161143331291 0.67538487335792 137.327 > 17 137 Ba 0.04942577099903 0.28838856668709 0.42538487335792 137.327 > 18 138 Ba 0.54942577099903 0.28838856668709 0.42538487335792 137.327 > 18 139 Ba 0.04942577099903 0.78838856668709 0.42538487335792 137.327 > 18 140 Ba 0.54942577099903 0.78838856668709 0.42538487335792 137.327 > 18 141 Ba 0.04942577099903 0.28838856668709 0.92538487335792 137.327 > 18 142 Ba 0.54942577099903 0.28838856668709 0.92538487335792 137.327 > 18 143 Ba 0.04942577099903 0.78838856668709 0.92538487335792 137.327 > 18 144 Ba 0.54942577099903 0.78838856668709 0.92538487335792 137.327 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 17.9243830 0.0000000 -5.7640657 0.0000000 19.2589220 0.0000000 -5.7724903 0.0000000 19.8464473 -------------------------- Born effective charges -------------------------- 1 As -1.6134890 -0.0562391 0.2889031 0.9724467 -1.2810735 -0.6744179 0.2192385 0.1424117 -1.6544620 2 As -1.6134890 0.0562391 0.2889031 -0.9724467 -1.2810735 0.6744179 0.2192385 -0.1424117 -1.6544620 3 As -1.1948721 -0.5237497 -0.2413181 -0.4818820 -1.6307834 -0.5750474 -0.3747975 -0.4606758 -1.3595478 4 As -1.1948721 0.5237497 -0.2413181 0.4818820 -1.6307834 0.5750474 -0.3747975 0.4606758 -1.3595478 5 As -1.6433115 -0.1004982 -0.1475447 -0.8338892 -1.5178988 -0.5898821 0.1042568 0.3203613 -1.4005723 6 As -1.6433115 0.1004982 -0.1475447 0.8338892 -1.5178988 0.5898821 0.1042568 -0.3203613 -1.4005723 7 As -1.3982910 -0.4338720 -0.1487730 -0.3736014 -0.6162383 0.0349454 -0.5282380 0.0305247 -1.4758350 8 As -1.3982910 0.4338720 -0.1487730 0.3736014 -0.6162383 -0.0349454 -0.5282380 -0.0305247 -1.4758350 9 As -1.8777836 -0.9195214 0.3384465 -0.2554138 -1.0907504 -0.2657146 0.1128858 -0.1099814 -1.7867244 10 As -1.8777836 0.9195214 0.3384465 0.2554138 -1.0907504 0.2657146 0.1128858 0.1099814 -1.7867244 11 As -1.7328127 0.1085165 -0.5004322 0.2579527 -1.0180842 -0.2533202 0.3203956 -0.8838851 -1.3202410 12 As -1.7328127 -0.1085165 -0.5004322 -0.2579527 -1.0180842 0.2533202 0.3203956 0.8838851 -1.3202410 13 Ba 3.3017263 -0.1997320 0.0021784 0.3826612 2.9101231 0.4725946 0.3340777 -1.0816237 3.0756161 14 Ba 3.3017263 0.1997320 0.0021784 -0.3826612 2.9101231 -0.4725946 0.3340777 1.0816237 3.0756161 15 Ba 3.1254741 -0.0241736 0.0675608 0.0689194 1.7761330 0.0284716 -0.0746999 -0.2472166 3.0933722 16 Ba 3.1254741 0.0241736 0.0675608 -0.0689194 1.7761330 -0.0284716 -0.0746999 0.2472166 3.0933722 17 Ba 3.0333595 -0.0782877 0.3409791 -0.3101761 2.4685725 0.3147987 -0.1131190 -0.0535962 2.8283942 18 Ba 3.0333595 0.0782877 0.3409791 0.3101761 2.4685725 -0.3147987 -0.1131190 0.0535962 2.8283942 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 178 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 178 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 178 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. Tree of FC basis block matrices: - (5940, 5860), data: False |-- (684, 675), data: False |-- (684, 6), data: (684, 15) @ (15, 6) |-- (184, 178), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 6), data: (684, 15) @ (15, 6) |-- (184, 178), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 6), data: (684, 15) @ (15, 6) |-- (184, 178), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.014 Solver_block: 100 / 1120 - Time: 3.924 Solver_block: 200 / 1120 - Time: 3.531 Solver_block: 300 / 1120 - Time: 3.903 Solver_block: 400 / 1120 - Time: 4.076 Solver_block: 500 / 1120 - Time: 3.647 Solver_block: 600 / 1120 - Time: 4.182 Solver_block: 700 / 1120 - Time: 4.189 Solver_block: 800 / 1120 - Time: 4.155 Solver_block: 900 / 1120 - Time: 3.967 Solver_block: 1000 / 1120 - Time: 4.063 Solver_block: 1100 / 1120 - Time: 3.088 Solver_block: 1120 / 1120 - Time: 0.908 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 44.682 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 178 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 178 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 178 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. Tree of FC basis block matrices: - (5940, 5860), data: False |-- (684, 675), data: False |-- (684, 6), data: (684, 15) @ (15, 6) |-- (184, 178), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 6), data: (684, 15) @ (15, 6) |-- (184, 178), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 6), data: (684, 15) @ (15, 6) |-- (184, 178), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 09:05:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:05:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pc (7) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.551334926480364 0.000000000000000 0.000000000000000 b 0.000000000000000 12.420298960000000 0.000000000000000 c -4.934905792442459 0.000000000000000 6.353535501723351 Atomic positions (fractional): 1 As 0.67076860447610 0.42034681542901 0.82402916081056 74.922 2 As 0.67076860447610 0.57965318457099 0.32402916081056 74.922 3 As 0.52469843030610 0.60939367169285 0.74085929955141 74.922 4 As 0.52469843030610 0.39060632830715 0.24085929955141 74.922 5 As 0.38041557765407 0.34214167111653 0.88304977695768 74.922 6 As 0.38041557765407 0.65785832888347 0.38304977695768 74.922 7 As 0.00865966872468 0.99458448649367 0.99042882180175 74.922 8 As 0.00865966872468 0.00541551350633 0.49042882180175 74.922 9 As 0.22150331138999 0.83988248478051 0.68265610715076 74.922 10 As 0.22150331138999 0.16011751521949 0.18265610715076 74.922 11 As 0.25778802077857 0.84070937269234 0.01736247189413 74.922 12 As 0.25778802077857 0.15929062730766 0.51736247189413 74.922 13 Ba 0.82845045458973 0.22336396770926 0.64558480929679 137.327 14 Ba 0.82845045458973 0.77663603229074 0.14558480929679 137.327 15 Ba 0.55496438008270 0.08100393882692 0.01195981582108 137.327 16 Ba 0.55496438008270 0.91899606117308 0.51195981582108 137.327 17 Ba 0.09885154199806 0.42322286662581 0.35076974671585 137.327 18 Ba 0.09885154199806 0.57677713337419 0.85076974671585 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.102669852960728 0.000000000000000 0.000000000000000 b 0.000000000000000 24.840597920000000 0.000000000000000 c -9.869811584884918 0.000000000000000 12.707071003446702 Atomic positions (fractional): 1 As 0.33538430223805 0.21017340771450 0.41201458040528 74.922 > 1 2 As 0.83538430223805 0.21017340771450 0.41201458040528 74.922 > 1 3 As 0.33538430223805 0.71017340771450 0.41201458040528 74.922 > 1 4 As 0.83538430223805 0.71017340771450 0.41201458040528 74.922 > 1 5 As 0.33538430223805 0.21017340771450 0.91201458040528 74.922 > 1 6 As 0.83538430223805 0.21017340771450 0.91201458040528 74.922 > 1 7 As 0.33538430223805 0.71017340771450 0.91201458040528 74.922 > 1 8 As 0.83538430223805 0.71017340771450 0.91201458040528 74.922 > 1 9 As 0.33538430223805 0.28982659228550 0.16201458040528 74.922 > 9 10 As 0.83538430223805 0.28982659228550 0.16201458040528 74.922 > 9 11 As 0.33538430223805 0.78982659228550 0.16201458040528 74.922 > 9 12 As 0.83538430223805 0.78982659228550 0.16201458040528 74.922 > 9 13 As 0.33538430223805 0.28982659228550 0.66201458040528 74.922 > 9 14 As 0.83538430223805 0.28982659228550 0.66201458040528 74.922 > 9 15 As 0.33538430223805 0.78982659228550 0.66201458040528 74.922 > 9 16 As 0.83538430223805 0.78982659228550 0.66201458040528 74.922 > 9 17 As 0.26234921515305 0.30469683584642 0.37042964977571 74.922 > 17 18 As 0.76234921515305 0.30469683584642 0.37042964977571 74.922 > 17 19 As 0.26234921515305 0.80469683584642 0.37042964977571 74.922 > 17 20 As 0.76234921515305 0.80469683584642 0.37042964977571 74.922 > 17 21 As 0.26234921515305 0.30469683584642 0.87042964977571 74.922 > 17 22 As 0.76234921515305 0.30469683584642 0.87042964977571 74.922 > 17 23 As 0.26234921515305 0.80469683584642 0.87042964977571 74.922 > 17 24 As 0.76234921515305 0.80469683584642 0.87042964977571 74.922 > 17 25 As 0.26234921515305 0.19530316415358 0.12042964977571 74.922 > 25 26 As 0.76234921515305 0.19530316415358 0.12042964977571 74.922 > 25 27 As 0.26234921515305 0.69530316415358 0.12042964977571 74.922 > 25 28 As 0.76234921515305 0.69530316415358 0.12042964977571 74.922 > 25 29 As 0.26234921515305 0.19530316415358 0.62042964977571 74.922 > 25 30 As 0.76234921515305 0.19530316415358 0.62042964977571 74.922 > 25 31 As 0.26234921515305 0.69530316415358 0.62042964977571 74.922 > 25 32 As 0.76234921515305 0.69530316415358 0.62042964977571 74.922 > 25 33 As 0.19020778882704 0.17107083555827 0.44152488847884 74.922 > 33 34 As 0.69020778882704 0.17107083555827 0.44152488847884 74.922 > 33 35 As 0.19020778882704 0.67107083555827 0.44152488847884 74.922 > 33 36 As 0.69020778882704 0.67107083555827 0.44152488847884 74.922 > 33 37 As 0.19020778882704 0.17107083555827 0.94152488847884 74.922 > 33 38 As 0.69020778882704 0.17107083555827 0.94152488847884 74.922 > 33 39 As 0.19020778882704 0.67107083555827 0.94152488847884 74.922 > 33 40 As 0.69020778882704 0.67107083555827 0.94152488847884 74.922 > 33 41 As 0.19020778882704 0.32892916444173 0.19152488847884 74.922 > 41 42 As 0.69020778882704 0.32892916444173 0.19152488847884 74.922 > 41 43 As 0.19020778882704 0.82892916444173 0.19152488847884 74.922 > 41 44 As 0.69020778882704 0.82892916444173 0.19152488847884 74.922 > 41 45 As 0.19020778882704 0.32892916444173 0.69152488847884 74.922 > 41 46 As 0.69020778882704 0.32892916444173 0.69152488847884 74.922 > 41 47 As 0.19020778882704 0.82892916444173 0.69152488847884 74.922 > 41 48 As 0.69020778882704 0.82892916444173 0.69152488847884 74.922 > 41 49 As 0.00432983436234 0.49729224324683 0.49521441090087 74.922 > 49 50 As 0.50432983436234 0.49729224324683 0.49521441090087 74.922 > 49 51 As 0.00432983436234 0.99729224324683 0.49521441090087 74.922 > 49 52 As 0.50432983436234 0.99729224324683 0.49521441090087 74.922 > 49 53 As 0.00432983436234 0.49729224324683 0.99521441090087 74.922 > 49 54 As 0.50432983436234 0.49729224324683 0.99521441090087 74.922 > 49 55 As 0.00432983436234 0.99729224324683 0.99521441090087 74.922 > 49 56 As 0.50432983436234 0.99729224324683 0.99521441090087 74.922 > 49 57 As 0.00432983436234 0.00270775675317 0.24521441090088 74.922 > 57 58 As 0.50432983436234 0.00270775675317 0.24521441090088 74.922 > 57 59 As 0.00432983436234 0.50270775675317 0.24521441090088 74.922 > 57 60 As 0.50432983436234 0.50270775675317 0.24521441090088 74.922 > 57 61 As 0.00432983436234 0.00270775675317 0.74521441090088 74.922 > 57 62 As 0.50432983436234 0.00270775675317 0.74521441090088 74.922 > 57 63 As 0.00432983436234 0.50270775675317 0.74521441090088 74.922 > 57 64 As 0.50432983436234 0.50270775675317 0.74521441090088 74.922 > 57 65 As 0.11075165569500 0.41994124239026 0.34132805357538 74.922 > 65 66 As 0.61075165569500 0.41994124239026 0.34132805357538 74.922 > 65 67 As 0.11075165569500 0.91994124239026 0.34132805357538 74.922 > 65 68 As 0.61075165569500 0.91994124239026 0.34132805357538 74.922 > 65 69 As 0.11075165569500 0.41994124239026 0.84132805357538 74.922 > 65 70 As 0.61075165569500 0.41994124239026 0.84132805357538 74.922 > 65 71 As 0.11075165569500 0.91994124239026 0.84132805357538 74.922 > 65 72 As 0.61075165569500 0.91994124239026 0.84132805357538 74.922 > 65 73 As 0.11075165569500 0.08005875760974 0.09132805357538 74.922 > 73 74 As 0.61075165569500 0.08005875760974 0.09132805357538 74.922 > 73 75 As 0.11075165569500 0.58005875760974 0.09132805357538 74.922 > 73 76 As 0.61075165569500 0.58005875760974 0.09132805357538 74.922 > 73 77 As 0.11075165569500 0.08005875760974 0.59132805357538 74.922 > 73 78 As 0.61075165569500 0.08005875760974 0.59132805357538 74.922 > 73 79 As 0.11075165569500 0.58005875760974 0.59132805357538 74.922 > 73 80 As 0.61075165569500 0.58005875760974 0.59132805357538 74.922 > 73 81 As 0.12889401038929 0.42035468634617 0.00868123594707 74.922 > 81 82 As 0.62889401038929 0.42035468634617 0.00868123594707 74.922 > 81 83 As 0.12889401038929 0.92035468634617 0.00868123594707 74.922 > 81 84 As 0.62889401038929 0.92035468634617 0.00868123594707 74.922 > 81 85 As 0.12889401038929 0.42035468634617 0.50868123594707 74.922 > 81 86 As 0.62889401038929 0.42035468634617 0.50868123594707 74.922 > 81 87 As 0.12889401038929 0.92035468634617 0.50868123594707 74.922 > 81 88 As 0.62889401038929 0.92035468634617 0.50868123594707 74.922 > 81 89 As 0.12889401038929 0.07964531365383 0.25868123594707 74.922 > 89 90 As 0.62889401038929 0.07964531365383 0.25868123594707 74.922 > 89 91 As 0.12889401038929 0.57964531365383 0.25868123594707 74.922 > 89 92 As 0.62889401038929 0.57964531365383 0.25868123594707 74.922 > 89 93 As 0.12889401038929 0.07964531365383 0.75868123594707 74.922 > 89 94 As 0.62889401038929 0.07964531365383 0.75868123594707 74.922 > 89 95 As 0.12889401038929 0.57964531365383 0.75868123594707 74.922 > 89 96 As 0.62889401038929 0.57964531365383 0.75868123594707 74.922 > 89 97 Ba 0.41422522729487 0.11168198385463 0.32279240464840 137.327 > 97 98 Ba 0.91422522729487 0.11168198385463 0.32279240464840 137.327 > 97 99 Ba 0.41422522729487 0.61168198385463 0.32279240464840 137.327 > 97 100 Ba 0.91422522729487 0.61168198385463 0.32279240464840 137.327 > 97 101 Ba 0.41422522729487 0.11168198385463 0.82279240464840 137.327 > 97 102 Ba 0.91422522729487 0.11168198385463 0.82279240464840 137.327 > 97 103 Ba 0.41422522729487 0.61168198385463 0.82279240464840 137.327 > 97 104 Ba 0.91422522729487 0.61168198385463 0.82279240464840 137.327 > 97 105 Ba 0.41422522729487 0.38831801614537 0.07279240464840 137.327 > 105 106 Ba 0.91422522729487 0.38831801614537 0.07279240464840 137.327 > 105 107 Ba 0.41422522729487 0.88831801614537 0.07279240464840 137.327 > 105 108 Ba 0.91422522729487 0.88831801614537 0.07279240464840 137.327 > 105 109 Ba 0.41422522729487 0.38831801614537 0.57279240464840 137.327 > 105 110 Ba 0.91422522729487 0.38831801614537 0.57279240464840 137.327 > 105 111 Ba 0.41422522729487 0.88831801614537 0.57279240464840 137.327 > 105 112 Ba 0.91422522729487 0.88831801614537 0.57279240464840 137.327 > 105 113 Ba 0.27748219004135 0.04050196941346 0.00597990791054 137.327 > 113 114 Ba 0.77748219004135 0.04050196941346 0.00597990791054 137.327 > 113 115 Ba 0.27748219004135 0.54050196941346 0.00597990791054 137.327 > 113 116 Ba 0.77748219004135 0.54050196941346 0.00597990791054 137.327 > 113 117 Ba 0.27748219004135 0.04050196941346 0.50597990791054 137.327 > 113 118 Ba 0.77748219004135 0.04050196941346 0.50597990791054 137.327 > 113 119 Ba 0.27748219004135 0.54050196941346 0.50597990791054 137.327 > 113 120 Ba 0.77748219004135 0.54050196941346 0.50597990791054 137.327 > 113 121 Ba 0.27748219004135 0.45949803058654 0.25597990791054 137.327 > 121 122 Ba 0.77748219004135 0.45949803058654 0.25597990791054 137.327 > 121 123 Ba 0.27748219004135 0.95949803058654 0.25597990791054 137.327 > 121 124 Ba 0.77748219004135 0.95949803058654 0.25597990791054 137.327 > 121 125 Ba 0.27748219004135 0.45949803058654 0.75597990791054 137.327 > 121 126 Ba 0.77748219004135 0.45949803058654 0.75597990791054 137.327 > 121 127 Ba 0.27748219004135 0.95949803058654 0.75597990791054 137.327 > 121 128 Ba 0.77748219004135 0.95949803058654 0.75597990791054 137.327 > 121 129 Ba 0.04942577099903 0.21161143331291 0.17538487335792 137.327 > 129 130 Ba 0.54942577099903 0.21161143331291 0.17538487335792 137.327 > 129 131 Ba 0.04942577099903 0.71161143331291 0.17538487335792 137.327 > 129 132 Ba 0.54942577099903 0.71161143331291 0.17538487335792 137.327 > 129 133 Ba 0.04942577099903 0.21161143331291 0.67538487335792 137.327 > 129 134 Ba 0.54942577099903 0.21161143331291 0.67538487335792 137.327 > 129 135 Ba 0.04942577099903 0.71161143331291 0.67538487335792 137.327 > 129 136 Ba 0.54942577099903 0.71161143331291 0.67538487335792 137.327 > 129 137 Ba 0.04942577099903 0.28838856668709 0.42538487335792 137.327 > 137 138 Ba 0.54942577099903 0.28838856668709 0.42538487335792 137.327 > 137 139 Ba 0.04942577099903 0.78838856668709 0.42538487335792 137.327 > 137 140 Ba 0.54942577099903 0.78838856668709 0.42538487335792 137.327 > 137 141 Ba 0.04942577099903 0.28838856668709 0.92538487335792 137.327 > 137 142 Ba 0.54942577099903 0.28838856668709 0.92538487335792 137.327 > 137 143 Ba 0.04942577099903 0.78838856668709 0.92538487335792 137.327 > 137 144 Ba 0.54942577099903 0.78838856668709 0.92538487335792 137.327 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 17.9243830 0.0000000 -5.7640657 0.0000000 19.2589220 0.0000000 -5.7724903 0.0000000 19.8464473 -------------------------- Born effective charges -------------------------- 1 As -1.6134890 -0.0562391 0.2889031 0.9724467 -1.2810735 -0.6744179 0.2192385 0.1424117 -1.6544620 2 As -1.6134890 0.0562391 0.2889031 -0.9724467 -1.2810735 0.6744179 0.2192385 -0.1424117 -1.6544620 3 As -1.1948721 -0.5237497 -0.2413181 -0.4818820 -1.6307834 -0.5750474 -0.3747975 -0.4606758 -1.3595478 4 As -1.1948721 0.5237497 -0.2413181 0.4818820 -1.6307834 0.5750474 -0.3747975 0.4606758 -1.3595478 5 As -1.6433115 -0.1004982 -0.1475447 -0.8338892 -1.5178988 -0.5898821 0.1042568 0.3203613 -1.4005723 6 As -1.6433115 0.1004982 -0.1475447 0.8338892 -1.5178988 0.5898821 0.1042568 -0.3203613 -1.4005723 7 As -1.3982910 -0.4338720 -0.1487730 -0.3736014 -0.6162383 0.0349454 -0.5282380 0.0305247 -1.4758350 8 As -1.3982910 0.4338720 -0.1487730 0.3736014 -0.6162383 -0.0349454 -0.5282380 -0.0305247 -1.4758350 9 As -1.8777836 -0.9195214 0.3384465 -0.2554138 -1.0907504 -0.2657146 0.1128858 -0.1099814 -1.7867244 10 As -1.8777836 0.9195214 0.3384465 0.2554138 -1.0907504 0.2657146 0.1128858 0.1099814 -1.7867244 11 As -1.7328127 0.1085165 -0.5004322 0.2579527 -1.0180842 -0.2533202 0.3203956 -0.8838851 -1.3202410 12 As -1.7328127 -0.1085165 -0.5004322 -0.2579527 -1.0180842 0.2533202 0.3203956 0.8838851 -1.3202410 13 Ba 3.3017263 -0.1997320 0.0021784 0.3826612 2.9101231 0.4725946 0.3340777 -1.0816237 3.0756161 14 Ba 3.3017263 0.1997320 0.0021784 -0.3826612 2.9101231 -0.4725946 0.3340777 1.0816237 3.0756161 15 Ba 3.1254741 -0.0241736 0.0675608 0.0689194 1.7761330 0.0284716 -0.0746999 -0.2472166 3.0933722 16 Ba 3.1254741 0.0241736 0.0675608 -0.0689194 1.7761330 -0.0284716 -0.0746999 0.2472166 3.0933722 17 Ba 3.0333595 -0.0782877 0.3409791 -0.3101761 2.4685725 0.3147987 -0.1131190 -0.0535962 2.8283942 18 Ba 3.0333595 0.0782877 0.3409791 0.3101761 2.4685725 -0.3147987 -0.1131190 0.0535962 2.8283942 ---------------------------------------------------------------------------- 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 81, 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000007 (zx) -0.00000007 (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 09:06:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:06:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pc (7) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.551334926480364 0.000000000000000 0.000000000000000 b 0.000000000000000 12.420298960000000 0.000000000000000 c -4.934905792442459 0.000000000000000 6.353535501723351 Atomic positions (fractional): 1 As 0.67076860447610 0.42034681542901 0.82402916081056 74.922 2 As 0.67076860447610 0.57965318457099 0.32402916081056 74.922 3 As 0.52469843030610 0.60939367169285 0.74085929955141 74.922 4 As 0.52469843030610 0.39060632830715 0.24085929955141 74.922 5 As 0.38041557765407 0.34214167111653 0.88304977695768 74.922 6 As 0.38041557765407 0.65785832888347 0.38304977695768 74.922 7 As 0.00865966872468 0.99458448649367 0.99042882180175 74.922 8 As 0.00865966872468 0.00541551350633 0.49042882180175 74.922 9 As 0.22150331138999 0.83988248478051 0.68265610715076 74.922 10 As 0.22150331138999 0.16011751521949 0.18265610715076 74.922 11 As 0.25778802077857 0.84070937269234 0.01736247189413 74.922 12 As 0.25778802077857 0.15929062730766 0.51736247189413 74.922 13 Ba 0.82845045458973 0.22336396770926 0.64558480929679 137.327 14 Ba 0.82845045458973 0.77663603229074 0.14558480929679 137.327 15 Ba 0.55496438008270 0.08100393882692 0.01195981582108 137.327 16 Ba 0.55496438008270 0.91899606117308 0.51195981582108 137.327 17 Ba 0.09885154199806 0.42322286662581 0.35076974671585 137.327 18 Ba 0.09885154199806 0.57677713337419 0.85076974671585 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.102669852960728 0.000000000000000 0.000000000000000 b 0.000000000000000 24.840597920000000 0.000000000000000 c -9.869811584884918 0.000000000000000 12.707071003446702 Atomic positions (fractional): 1 As 0.33538430223805 0.21017340771450 0.41201458040528 74.922 > 1 2 As 0.83538430223805 0.21017340771450 0.41201458040528 74.922 > 1 3 As 0.33538430223805 0.71017340771450 0.41201458040528 74.922 > 1 4 As 0.83538430223805 0.71017340771450 0.41201458040528 74.922 > 1 5 As 0.33538430223805 0.21017340771450 0.91201458040528 74.922 > 1 6 As 0.83538430223805 0.21017340771450 0.91201458040528 74.922 > 1 7 As 0.33538430223805 0.71017340771450 0.91201458040528 74.922 > 1 8 As 0.83538430223805 0.71017340771450 0.91201458040528 74.922 > 1 9 As 0.33538430223805 0.28982659228550 0.16201458040528 74.922 > 9 10 As 0.83538430223805 0.28982659228550 0.16201458040528 74.922 > 9 11 As 0.33538430223805 0.78982659228550 0.16201458040528 74.922 > 9 12 As 0.83538430223805 0.78982659228550 0.16201458040528 74.922 > 9 13 As 0.33538430223805 0.28982659228550 0.66201458040528 74.922 > 9 14 As 0.83538430223805 0.28982659228550 0.66201458040528 74.922 > 9 15 As 0.33538430223805 0.78982659228550 0.66201458040528 74.922 > 9 16 As 0.83538430223805 0.78982659228550 0.66201458040528 74.922 > 9 17 As 0.26234921515305 0.30469683584642 0.37042964977571 74.922 > 17 18 As 0.76234921515305 0.30469683584642 0.37042964977571 74.922 > 17 19 As 0.26234921515305 0.80469683584642 0.37042964977571 74.922 > 17 20 As 0.76234921515305 0.80469683584642 0.37042964977571 74.922 > 17 21 As 0.26234921515305 0.30469683584642 0.87042964977571 74.922 > 17 22 As 0.76234921515305 0.30469683584642 0.87042964977571 74.922 > 17 23 As 0.26234921515305 0.80469683584642 0.87042964977571 74.922 > 17 24 As 0.76234921515305 0.80469683584642 0.87042964977571 74.922 > 17 25 As 0.26234921515305 0.19530316415358 0.12042964977571 74.922 > 25 26 As 0.76234921515305 0.19530316415358 0.12042964977571 74.922 > 25 27 As 0.26234921515305 0.69530316415358 0.12042964977571 74.922 > 25 28 As 0.76234921515305 0.69530316415358 0.12042964977571 74.922 > 25 29 As 0.26234921515305 0.19530316415358 0.62042964977571 74.922 > 25 30 As 0.76234921515305 0.19530316415358 0.62042964977571 74.922 > 25 31 As 0.26234921515305 0.69530316415358 0.62042964977571 74.922 > 25 32 As 0.76234921515305 0.69530316415358 0.62042964977571 74.922 > 25 33 As 0.19020778882704 0.17107083555827 0.44152488847884 74.922 > 33 34 As 0.69020778882704 0.17107083555827 0.44152488847884 74.922 > 33 35 As 0.19020778882704 0.67107083555827 0.44152488847884 74.922 > 33 36 As 0.69020778882704 0.67107083555827 0.44152488847884 74.922 > 33 37 As 0.19020778882704 0.17107083555827 0.94152488847884 74.922 > 33 38 As 0.69020778882704 0.17107083555827 0.94152488847884 74.922 > 33 39 As 0.19020778882704 0.67107083555827 0.94152488847884 74.922 > 33 40 As 0.69020778882704 0.67107083555827 0.94152488847884 74.922 > 33 41 As 0.19020778882704 0.32892916444173 0.19152488847884 74.922 > 41 42 As 0.69020778882704 0.32892916444173 0.19152488847884 74.922 > 41 43 As 0.19020778882704 0.82892916444173 0.19152488847884 74.922 > 41 44 As 0.69020778882704 0.82892916444173 0.19152488847884 74.922 > 41 45 As 0.19020778882704 0.32892916444173 0.69152488847884 74.922 > 41 46 As 0.69020778882704 0.32892916444173 0.69152488847884 74.922 > 41 47 As 0.19020778882704 0.82892916444173 0.69152488847884 74.922 > 41 48 As 0.69020778882704 0.82892916444173 0.69152488847884 74.922 > 41 49 As 0.00432983436234 0.49729224324683 0.49521441090087 74.922 > 49 50 As 0.50432983436234 0.49729224324683 0.49521441090087 74.922 > 49 51 As 0.00432983436234 0.99729224324683 0.49521441090087 74.922 > 49 52 As 0.50432983436234 0.99729224324683 0.49521441090087 74.922 > 49 53 As 0.00432983436234 0.49729224324683 0.99521441090087 74.922 > 49 54 As 0.50432983436234 0.49729224324683 0.99521441090087 74.922 > 49 55 As 0.00432983436234 0.99729224324683 0.99521441090087 74.922 > 49 56 As 0.50432983436234 0.99729224324683 0.99521441090087 74.922 > 49 57 As 0.00432983436234 0.00270775675317 0.24521441090088 74.922 > 57 58 As 0.50432983436234 0.00270775675317 0.24521441090088 74.922 > 57 59 As 0.00432983436234 0.50270775675317 0.24521441090088 74.922 > 57 60 As 0.50432983436234 0.50270775675317 0.24521441090088 74.922 > 57 61 As 0.00432983436234 0.00270775675317 0.74521441090088 74.922 > 57 62 As 0.50432983436234 0.00270775675317 0.74521441090088 74.922 > 57 63 As 0.00432983436234 0.50270775675317 0.74521441090088 74.922 > 57 64 As 0.50432983436234 0.50270775675317 0.74521441090088 74.922 > 57 65 As 0.11075165569500 0.41994124239026 0.34132805357538 74.922 > 65 66 As 0.61075165569500 0.41994124239026 0.34132805357538 74.922 > 65 67 As 0.11075165569500 0.91994124239026 0.34132805357538 74.922 > 65 68 As 0.61075165569500 0.91994124239026 0.34132805357538 74.922 > 65 69 As 0.11075165569500 0.41994124239026 0.84132805357538 74.922 > 65 70 As 0.61075165569500 0.41994124239026 0.84132805357538 74.922 > 65 71 As 0.11075165569500 0.91994124239026 0.84132805357538 74.922 > 65 72 As 0.61075165569500 0.91994124239026 0.84132805357538 74.922 > 65 73 As 0.11075165569500 0.08005875760974 0.09132805357538 74.922 > 73 74 As 0.61075165569500 0.08005875760974 0.09132805357538 74.922 > 73 75 As 0.11075165569500 0.58005875760974 0.09132805357538 74.922 > 73 76 As 0.61075165569500 0.58005875760974 0.09132805357538 74.922 > 73 77 As 0.11075165569500 0.08005875760974 0.59132805357538 74.922 > 73 78 As 0.61075165569500 0.08005875760974 0.59132805357538 74.922 > 73 79 As 0.11075165569500 0.58005875760974 0.59132805357538 74.922 > 73 80 As 0.61075165569500 0.58005875760974 0.59132805357538 74.922 > 73 81 As 0.12889401038929 0.42035468634617 0.00868123594707 74.922 > 81 82 As 0.62889401038929 0.42035468634617 0.00868123594707 74.922 > 81 83 As 0.12889401038929 0.92035468634617 0.00868123594707 74.922 > 81 84 As 0.62889401038929 0.92035468634617 0.00868123594707 74.922 > 81 85 As 0.12889401038929 0.42035468634617 0.50868123594707 74.922 > 81 86 As 0.62889401038929 0.42035468634617 0.50868123594707 74.922 > 81 87 As 0.12889401038929 0.92035468634617 0.50868123594707 74.922 > 81 88 As 0.62889401038929 0.92035468634617 0.50868123594707 74.922 > 81 89 As 0.12889401038929 0.07964531365383 0.25868123594707 74.922 > 89 90 As 0.62889401038929 0.07964531365383 0.25868123594707 74.922 > 89 91 As 0.12889401038929 0.57964531365383 0.25868123594707 74.922 > 89 92 As 0.62889401038929 0.57964531365383 0.25868123594707 74.922 > 89 93 As 0.12889401038929 0.07964531365383 0.75868123594707 74.922 > 89 94 As 0.62889401038929 0.07964531365383 0.75868123594707 74.922 > 89 95 As 0.12889401038929 0.57964531365383 0.75868123594707 74.922 > 89 96 As 0.62889401038929 0.57964531365383 0.75868123594707 74.922 > 89 97 Ba 0.41422522729487 0.11168198385463 0.32279240464840 137.327 > 97 98 Ba 0.91422522729487 0.11168198385463 0.32279240464840 137.327 > 97 99 Ba 0.41422522729487 0.61168198385463 0.32279240464840 137.327 > 97 100 Ba 0.91422522729487 0.61168198385463 0.32279240464840 137.327 > 97 101 Ba 0.41422522729487 0.11168198385463 0.82279240464840 137.327 > 97 102 Ba 0.91422522729487 0.11168198385463 0.82279240464840 137.327 > 97 103 Ba 0.41422522729487 0.61168198385463 0.82279240464840 137.327 > 97 104 Ba 0.91422522729487 0.61168198385463 0.82279240464840 137.327 > 97 105 Ba 0.41422522729487 0.38831801614537 0.07279240464840 137.327 > 105 106 Ba 0.91422522729487 0.38831801614537 0.07279240464840 137.327 > 105 107 Ba 0.41422522729487 0.88831801614537 0.07279240464840 137.327 > 105 108 Ba 0.91422522729487 0.88831801614537 0.07279240464840 137.327 > 105 109 Ba 0.41422522729487 0.38831801614537 0.57279240464840 137.327 > 105 110 Ba 0.91422522729487 0.38831801614537 0.57279240464840 137.327 > 105 111 Ba 0.41422522729487 0.88831801614537 0.57279240464840 137.327 > 105 112 Ba 0.91422522729487 0.88831801614537 0.57279240464840 137.327 > 105 113 Ba 0.27748219004135 0.04050196941346 0.00597990791054 137.327 > 113 114 Ba 0.77748219004135 0.04050196941346 0.00597990791054 137.327 > 113 115 Ba 0.27748219004135 0.54050196941346 0.00597990791054 137.327 > 113 116 Ba 0.77748219004135 0.54050196941346 0.00597990791054 137.327 > 113 117 Ba 0.27748219004135 0.04050196941346 0.50597990791054 137.327 > 113 118 Ba 0.77748219004135 0.04050196941346 0.50597990791054 137.327 > 113 119 Ba 0.27748219004135 0.54050196941346 0.50597990791054 137.327 > 113 120 Ba 0.77748219004135 0.54050196941346 0.50597990791054 137.327 > 113 121 Ba 0.27748219004135 0.45949803058654 0.25597990791054 137.327 > 121 122 Ba 0.77748219004135 0.45949803058654 0.25597990791054 137.327 > 121 123 Ba 0.27748219004135 0.95949803058654 0.25597990791054 137.327 > 121 124 Ba 0.77748219004135 0.95949803058654 0.25597990791054 137.327 > 121 125 Ba 0.27748219004135 0.45949803058654 0.75597990791054 137.327 > 121 126 Ba 0.77748219004135 0.45949803058654 0.75597990791054 137.327 > 121 127 Ba 0.27748219004135 0.95949803058654 0.75597990791054 137.327 > 121 128 Ba 0.77748219004135 0.95949803058654 0.75597990791054 137.327 > 121 129 Ba 0.04942577099903 0.21161143331291 0.17538487335792 137.327 > 129 130 Ba 0.54942577099903 0.21161143331291 0.17538487335792 137.327 > 129 131 Ba 0.04942577099903 0.71161143331291 0.17538487335792 137.327 > 129 132 Ba 0.54942577099903 0.71161143331291 0.17538487335792 137.327 > 129 133 Ba 0.04942577099903 0.21161143331291 0.67538487335792 137.327 > 129 134 Ba 0.54942577099903 0.21161143331291 0.67538487335792 137.327 > 129 135 Ba 0.04942577099903 0.71161143331291 0.67538487335792 137.327 > 129 136 Ba 0.54942577099903 0.71161143331291 0.67538487335792 137.327 > 129 137 Ba 0.04942577099903 0.28838856668709 0.42538487335792 137.327 > 137 138 Ba 0.54942577099903 0.28838856668709 0.42538487335792 137.327 > 137 139 Ba 0.04942577099903 0.78838856668709 0.42538487335792 137.327 > 137 140 Ba 0.54942577099903 0.78838856668709 0.42538487335792 137.327 > 137 141 Ba 0.04942577099903 0.28838856668709 0.92538487335792 137.327 > 137 142 Ba 0.54942577099903 0.28838856668709 0.92538487335792 137.327 > 137 143 Ba 0.04942577099903 0.78838856668709 0.92538487335792 137.327 > 137 144 Ba 0.54942577099903 0.78838856668709 0.92538487335792 137.327 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 17.9243830 0.0000000 -5.7640657 0.0000000 19.2589220 0.0000000 -5.7724903 0.0000000 19.8464473 -------------------------- Born effective charges -------------------------- 1 As -1.6134890 -0.0562391 0.2889031 0.9724467 -1.2810735 -0.6744179 0.2192385 0.1424117 -1.6544620 2 As -1.6134890 0.0562391 0.2889031 -0.9724467 -1.2810735 0.6744179 0.2192385 -0.1424117 -1.6544620 3 As -1.1948721 -0.5237497 -0.2413181 -0.4818820 -1.6307834 -0.5750474 -0.3747975 -0.4606758 -1.3595478 4 As -1.1948721 0.5237497 -0.2413181 0.4818820 -1.6307834 0.5750474 -0.3747975 0.4606758 -1.3595478 5 As -1.6433115 -0.1004982 -0.1475447 -0.8338892 -1.5178988 -0.5898821 0.1042568 0.3203613 -1.4005723 6 As -1.6433115 0.1004982 -0.1475447 0.8338892 -1.5178988 0.5898821 0.1042568 -0.3203613 -1.4005723 7 As -1.3982910 -0.4338720 -0.1487730 -0.3736014 -0.6162383 0.0349454 -0.5282380 0.0305247 -1.4758350 8 As -1.3982910 0.4338720 -0.1487730 0.3736014 -0.6162383 -0.0349454 -0.5282380 -0.0305247 -1.4758350 9 As -1.8777836 -0.9195214 0.3384465 -0.2554138 -1.0907504 -0.2657146 0.1128858 -0.1099814 -1.7867244 10 As -1.8777836 0.9195214 0.3384465 0.2554138 -1.0907504 0.2657146 0.1128858 0.1099814 -1.7867244 11 As -1.7328127 0.1085165 -0.5004322 0.2579527 -1.0180842 -0.2533202 0.3203956 -0.8838851 -1.3202410 12 As -1.7328127 -0.1085165 -0.5004322 -0.2579527 -1.0180842 0.2533202 0.3203956 0.8838851 -1.3202410 13 Ba 3.3017263 -0.1997320 0.0021784 0.3826612 2.9101231 0.4725946 0.3340777 -1.0816237 3.0756161 14 Ba 3.3017263 0.1997320 0.0021784 -0.3826612 2.9101231 -0.4725946 0.3340777 1.0816237 3.0756161 15 Ba 3.1254741 -0.0241736 0.0675608 0.0689194 1.7761330 0.0284716 -0.0746999 -0.2472166 3.0933722 16 Ba 3.1254741 0.0241736 0.0675608 -0.0689194 1.7761330 -0.0284716 -0.0746999 0.2472166 3.0933722 17 Ba 3.0333595 -0.0782877 0.3409791 -0.3101761 2.4685725 0.3147987 -0.1131190 -0.0535962 2.8283942 18 Ba 3.0333595 0.0782877 0.3409791 0.3101761 2.4685725 -0.3147987 -0.1131190 0.0535962 2.8283942 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 4 8 ] 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: 0.52, Number of G-points: 309, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 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 0.953 ( 0.000 0.000 0.000) 0.000 1.208 ( 0.000 0.000 0.000) 0.000 1.222 ( 0.000 0.000 0.000) 0.000 1.334 ( 0.000 0.000 0.000) 0.000 1.435 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.565 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 4.090 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 6.757 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.10 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 12.774 0.000 13.940) 18.908 0.380 ( 16.904 0.000 9.582) 19.431 0.679 ( 26.993 0.000 20.035) 33.616 1.020 ( 3.826 0.000 5.123) 6.394 1.163 ( -2.719 0.000 -3.430) 4.377 1.259 ( 3.401 0.000 0.911) 3.521 1.387 ( 3.245 0.000 2.849) 4.318 1.409 ( 0.412 0.000 -1.214) 1.282 1.529 ( 0.917 0.000 4.156) 4.256 1.618 ( -6.251 0.000 1.824) 6.512 1.634 ( 0.083 0.000 3.914) 3.915 1.786 ( 0.014 0.000 -0.031) 0.034 1.899 ( 0.936 0.000 -0.636) 1.131 1.941 ( 3.236 0.000 4.590) 5.616 2.062 ( 3.471 0.000 2.124) 4.070 2.067 ( 4.498 0.000 0.097) 4.499 2.207 ( 0.427 0.000 1.378) 1.442 2.235 ( 3.677 0.000 4.339) 5.687 2.430 ( 3.873 0.000 -1.832) 4.284 2.472 ( -3.668 0.000 0.104) 3.670 2.585 ( -3.619 0.000 -1.423) 3.889 2.588 ( -1.880 0.000 -0.105) 1.883 2.699 ( 0.741 0.000 -1.755) 1.905 2.736 ( -1.881 0.000 1.604) 2.472 2.841 ( -5.359 0.000 -2.744) 6.021 2.895 ( 0.689 0.000 -0.941) 1.166 3.045 ( 2.392 0.000 3.018) 3.851 3.093 ( -1.221 0.000 -3.758) 3.952 3.178 ( 3.485 0.000 -0.361) 3.503 3.192 ( 2.214 0.000 0.874) 2.380 3.374 ( 0.054 0.000 -2.561) 2.562 3.382 ( 1.365 0.000 0.510) 1.457 3.498 ( -0.323 0.000 2.345) 2.367 3.530 ( -0.142 0.000 -0.139) 0.199 3.684 ( -1.156 0.000 -0.861) 1.442 3.744 ( 0.932 0.000 -0.644) 1.133 3.830 ( -3.323 0.000 -1.896) 3.826 3.968 ( 1.556 0.000 -2.168) 2.668 4.087 ( -1.386 0.000 -1.048) 1.738 4.224 ( 0.137 0.000 -0.528) 0.546 4.244 ( -2.255 0.000 -2.617) 3.454 4.483 ( -2.696 0.000 2.161) 3.455 5.394 ( 0.051 0.000 0.572) 0.574 5.546 ( 0.324 0.000 -0.052) 0.328 6.119 ( 0.027 0.000 0.097) 0.100 6.253 ( 0.092 0.000 0.066) 0.113 6.514 ( -0.172 0.000 0.144) 0.225 6.568 ( 0.041 0.000 0.107) 0.114 6.633 ( -0.391 0.000 0.520) 0.651 6.694 ( -0.192 0.000 0.148) 0.242 6.755 ( -0.161 0.000 -0.152) 0.221 7.055 ( -0.010 0.000 -0.639) 0.639 7.119 ( 0.244 0.000 0.219) 0.328 7.130 ( 0.227 0.000 0.041) 0.230 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 11.120 0.000 12.514) 16.741 0.730 ( 14.733 0.000 7.929) 16.732 1.083 ( -1.208 0.000 -2.895) 3.136 1.121 ( 5.482 0.000 2.668) 6.097 1.247 ( 12.413 0.000 11.409) 16.860 1.374 ( 9.845 0.000 4.989) 11.036 1.403 ( -0.254 0.000 -0.286) 0.382 1.508 ( 8.663 0.000 5.567) 10.298 1.523 ( -0.622 0.000 1.521) 1.643 1.702 ( 3.205 0.000 8.900) 9.459 1.729 ( 2.371 0.000 5.769) 6.237 1.787 ( 0.613 0.000 3.514) 3.567 1.937 ( 2.981 0.000 0.672) 3.056 2.025 ( -0.463 0.000 3.998) 4.024 2.122 ( 3.036 0.000 1.530) 3.400 2.141 ( 3.330 0.000 2.776) 4.335 2.202 ( -1.020 0.000 0.300) 1.063 2.366 ( 2.652 0.000 3.916) 4.729 2.404 ( -3.159 0.000 -1.558) 3.522 2.460 ( 3.893 0.000 -2.901) 4.856 2.519 ( -3.484 0.000 0.238) 3.492 2.586 ( -2.298 0.000 1.456) 2.721 2.679 ( 0.233 0.000 -0.496) 0.548 2.711 ( -0.934 0.000 -2.376) 2.552 2.742 ( 0.168 0.000 -4.345) 4.348 2.891 ( -0.850 0.000 -0.691) 1.096 3.008 ( -2.552 0.000 -3.378) 4.234 3.116 ( 2.610 0.000 3.067) 4.027 3.243 ( 3.642 0.000 0.580) 3.688 3.249 ( 2.746 0.000 1.366) 3.067 3.346 ( -0.585 0.000 -1.022) 1.178 3.405 ( 0.938 0.000 0.239) 0.968 3.512 ( -0.648 0.000 0.798) 1.028 3.523 ( -1.103 0.000 0.240) 1.129 3.649 ( -1.294 0.000 -1.362) 1.878 3.727 ( -4.454 0.000 -2.207) 4.971 3.758 ( 0.404 0.000 -1.308) 1.369 3.959 ( 0.079 0.000 -1.697) 1.699 4.047 ( -1.537 0.000 -1.930) 2.468 4.148 ( -4.515 0.000 -4.715) 6.528 4.209 ( -0.674 0.000 -1.225) 1.398 4.464 ( -1.832 0.000 0.503) 1.900 5.404 ( 0.123 0.000 0.890) 0.898 5.551 ( 0.506 0.000 -0.158) 0.530 6.121 ( 0.019 0.000 0.140) 0.141 6.256 ( 0.172 0.000 0.130) 0.216 6.512 ( -0.210 0.000 0.092) 0.230 6.570 ( -0.019 0.000 0.105) 0.106 6.633 ( -0.162 0.000 0.233) 0.284 6.693 ( -0.272 0.000 0.429) 0.508 6.750 ( -0.162 0.000 -0.316) 0.355 7.044 ( -0.402 0.000 -0.555) 0.686 7.127 ( 0.314 0.000 0.320) 0.449 7.136 ( 0.340 0.000 0.057) 0.345 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.30 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 6.389 0.000 1.377) 6.535 0.974 ( 7.035 0.000 7.488) 10.274 1.121 ( 7.108 0.000 4.601) 8.467 1.209 ( 4.965 0.000 0.907) 5.047 1.394 ( 1.714 0.000 2.837) 3.315 1.416 ( 1.425 0.000 1.322) 1.944 1.551 ( 6.954 0.000 4.576) 8.324 1.578 ( 4.119 0.000 3.195) 5.213 1.736 ( 1.309 0.000 4.017) 4.225 1.856 ( 3.637 0.000 6.417) 7.376 1.857 ( 8.777 0.000 5.485) 10.350 1.905 ( 1.458 0.000 6.458) 6.620 1.994 ( 5.014 0.000 2.392) 5.556 2.025 ( -2.123 0.000 0.499) 2.180 2.146 ( -2.685 0.000 -0.104) 2.687 2.218 ( 0.654 0.000 3.366) 3.428 2.275 ( 8.704 0.000 5.312) 10.197 2.371 ( -0.536 0.000 1.292) 1.398 2.403 ( 0.612 0.000 0.636) 0.882 2.462 ( -3.929 0.000 -1.892) 4.360 2.487 ( -1.621 0.000 1.445) 2.172 2.502 ( -1.643 0.000 -3.485) 3.852 2.660 ( 0.366 0.000 -4.431) 4.446 2.663 ( -1.351 0.000 1.524) 2.037 2.820 ( -3.808 0.000 -3.927) 5.470 2.833 ( 9.685 0.000 0.419) 9.694 2.984 ( 0.349 0.000 1.346) 1.391 3.189 ( 1.439 0.000 1.768) 2.280 3.279 ( 1.416 0.000 -0.140) 1.423 3.280 ( 0.381 0.000 0.046) 0.384 3.358 ( 1.296 0.000 2.103) 2.470 3.421 ( 1.796 0.000 -1.482) 2.329 3.491 ( -1.856 0.000 -0.738) 1.997 3.498 ( -2.047 0.000 0.160) 2.053 3.621 ( -1.682 0.000 0.411) 1.731 3.640 ( -3.701 0.000 0.191) 3.706 3.757 ( 1.165 0.000 -1.793) 2.139 3.921 ( -3.004 0.000 -2.114) 3.674 3.985 ( -2.624 0.000 -3.604) 4.458 4.010 ( -3.795 0.000 -6.034) 7.128 4.181 ( -0.799 0.000 -1.081) 1.344 4.441 ( -1.263 0.000 -0.246) 1.287 5.418 ( 0.158 0.000 0.872) 0.886 5.557 ( 0.481 0.000 -0.254) 0.544 6.123 ( -0.008 0.000 0.131) 0.131 6.261 ( 0.196 0.000 0.168) 0.258 6.510 ( -0.224 0.000 0.046) 0.228 6.570 ( -0.121 0.000 0.005) 0.121 6.633 ( -0.066 0.000 0.107) 0.126 6.696 ( -0.301 0.000 0.749) 0.807 6.744 ( 0.017 0.000 -0.481) 0.481 7.031 ( -0.470 0.000 -0.464) 0.661 7.135 ( 0.224 0.000 0.283) 0.361 7.141 ( 0.302 0.000 0.038) 0.304 ======================= Grid point 4 (5/126) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 1.089 0.000 -0.163) 1.102 1.095 ( 3.317 0.000 1.136) 3.506 1.282 ( 0.967 0.000 1.875) 2.110 1.339 ( 10.375 0.000 5.864) 11.917 1.446 ( 2.286 0.000 1.985) 3.028 1.465 ( 2.368 0.000 2.101) 3.166 1.690 ( 4.303 0.000 3.283) 5.412 1.715 ( 5.964 0.000 4.803) 7.657 1.783 ( -0.027 0.000 0.079) 0.083 1.879 ( -4.297 0.000 -4.142) 5.968 1.913 ( 0.543 0.000 4.747) 4.778 1.989 ( 3.167 0.000 1.268) 3.411 2.009 ( 0.331 0.000 0.305) 0.450 2.117 ( -1.432 0.000 2.764) 3.113 2.135 ( 2.313 0.000 3.453) 4.156 2.241 ( -2.308 0.000 1.955) 3.024 2.324 ( -5.196 0.000 -2.282) 5.675 2.372 ( -0.056 0.000 -2.042) 2.043 2.386 ( -0.696 0.000 1.078) 1.283 2.408 ( -0.968 0.000 -4.265) 4.374 2.497 ( 2.214 0.000 1.913) 2.926 2.557 ( 3.943 0.000 1.987) 4.415 2.693 ( 1.142 0.000 3.079) 3.284 2.700 ( 5.253 0.000 3.297) 6.202 2.734 ( 1.806 0.000 -2.384) 2.990 2.948 ( 4.742 0.000 -1.101) 4.868 3.017 ( 0.027 0.000 2.874) 2.874 3.160 ( -3.358 0.000 -1.981) 3.899 3.262 ( -1.309 0.000 -1.060) 1.685 3.339 ( 3.216 0.000 2.010) 3.793 3.396 ( -0.962 0.000 -3.016) 3.165 3.399 ( 1.890 0.000 0.401) 1.932 3.484 ( -0.048 0.000 2.950) 2.951 3.500 ( 0.747 0.000 1.497) 1.673 3.601 ( -2.809 0.000 1.670) 3.268 3.619 ( -1.065 0.000 1.552) 1.882 3.750 ( 0.786 0.000 -1.723) 1.893 3.791 ( -5.756 0.000 -5.510) 7.968 3.881 ( -3.916 0.000 -4.724) 6.136 3.938 ( -0.022 0.000 -2.471) 2.472 4.164 ( -0.308 0.000 -0.467) 0.560 4.422 ( -0.707 0.000 -0.347) 0.788 5.428 ( 0.113 0.000 0.532) 0.544 5.560 ( 0.285 0.000 -0.209) 0.353 6.124 ( -0.015 0.000 0.082) 0.083 6.265 ( 0.134 0.000 0.125) 0.183 6.507 ( -0.148 0.000 0.011) 0.149 6.567 ( -0.119 0.000 -0.049) 0.129 6.634 ( -0.021 0.000 0.034) 0.040 6.701 ( -0.266 0.000 0.708) 0.757 6.739 ( 0.154 0.000 -0.466) 0.491 7.021 ( -0.300 0.000 -0.263) 0.399 7.140 ( 0.097 0.000 0.157) 0.185 7.145 ( 0.167 0.000 0.013) 0.168 ======================= Grid point 5 (6/126) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.000 0.000 0.000) 0.000 1.126 ( 0.000 0.000 0.000) 0.000 1.292 ( 0.000 0.000 0.000) 0.000 1.450 ( -0.000 0.000 0.000) 0.000 1.485 ( 0.000 0.000 0.000) 0.000 1.581 ( -0.000 0.000 -0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.749 ( -0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 -0.000) 0.000 1.843 ( -0.000 0.000 -0.000) 0.000 1.956 ( 0.000 0.000 -0.000) 0.000 2.011 ( -0.000 0.000 0.000) 0.000 2.067 ( -0.000 0.000 -0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 -0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 -0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.243 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.419 ( -0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.577 ( -0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 -0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.506 ( 0.000 0.000 0.000) 0.000 6.566 ( 0.000 0.000 0.000) 0.000 6.634 ( 0.000 0.000 0.000) 0.000 6.703 ( -0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 7.017 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.147 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/126) ======================= q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.294 ( 0.000 14.443 0.000) 14.443 0.389 ( 0.000 19.277 0.000) 19.277 0.650 ( 0.000 27.504 0.000) 27.504 0.860 ( 0.000 -5.669 0.000) 5.669 1.101 ( 0.000 -13.070 0.000) 13.070 1.300 ( 0.000 1.766 0.000) 1.766 1.329 ( 0.000 2.977 0.000) 2.977 1.437 ( 0.000 0.521 0.000) 0.521 1.457 ( 0.000 0.525 0.000) 0.525 1.589 ( 0.000 2.062 0.000) 2.062 1.724 ( 0.000 -5.867 0.000) 5.867 1.778 ( 0.000 -4.859 0.000) 4.859 1.838 ( 0.000 -1.488 0.000) 1.488 1.910 ( 0.000 -2.308 0.000) 2.308 1.939 ( 0.000 -2.068 0.000) 2.068 2.018 ( 0.000 3.526 0.000) 3.526 2.144 ( 0.000 -1.377 0.000) 1.377 2.217 ( 0.000 -1.350 0.000) 1.350 2.374 ( 0.000 -3.241 0.000) 3.241 2.511 ( 0.000 0.098 0.000) 0.098 2.560 ( 0.000 -3.497 0.000) 3.497 2.639 ( 0.000 1.576 0.000) 1.576 2.754 ( 0.000 1.504 0.000) 1.504 2.758 ( 0.000 3.411 0.000) 3.411 2.872 ( 0.000 -4.317 0.000) 4.317 2.944 ( 0.000 -3.535 0.000) 3.535 2.987 ( 0.000 0.918 0.000) 0.918 3.101 ( 0.000 -0.227 0.000) 0.227 3.185 ( 0.000 1.443 0.000) 1.443 3.257 ( 0.000 -1.851 0.000) 1.851 3.368 ( 0.000 -0.082 0.000) 0.082 3.421 ( 0.000 -1.820 0.000) 1.820 3.472 ( 0.000 2.412 0.000) 2.412 3.549 ( 0.000 0.154 0.000) 0.154 3.608 ( 0.000 2.558 0.000) 2.558 3.702 ( 0.000 -0.155 0.000) 0.155 3.745 ( 0.000 0.268 0.000) 0.268 3.864 ( 0.000 -1.057 0.000) 1.057 4.076 ( 0.000 -0.969 0.000) 0.969 4.100 ( 0.000 -0.801 0.000) 0.801 4.244 ( 0.000 0.874 0.000) 0.874 4.424 ( 0.000 0.114 0.000) 0.114 5.393 ( 0.000 0.225 0.000) 0.225 5.543 ( 0.000 -0.279 0.000) 0.279 6.126 ( 0.000 0.140 0.000) 0.140 6.245 ( 0.000 -0.505 0.000) 0.505 6.505 ( 0.000 -0.521 0.000) 0.521 6.579 ( 0.000 0.701 0.000) 0.701 6.625 ( 0.000 0.668 0.000) 0.668 6.685 ( 0.000 -0.888 0.000) 0.888 6.763 ( 0.000 0.231 0.000) 0.231 7.051 ( 0.000 -0.436 0.000) 0.436 7.125 ( 0.000 -0.237 0.000) 0.237 7.127 ( 0.000 -0.344 0.000) 0.344 ======================= Grid point 12 (8/126) ======================= q-point: ( 0.10 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 8.046 9.777 10.605) 16.516 0.506 ( 9.945 11.459 8.593) 17.437 0.909 ( 8.071 -3.564 8.353) 12.150 0.967 ( 15.120 15.436 9.982) 23.801 1.103 ( 0.023 -10.233 -1.260) 10.310 1.287 ( 0.712 3.671 -0.682) 3.802 1.335 ( 0.651 -0.181 1.748) 1.875 1.447 ( 2.055 2.471 -0.644) 3.278 1.511 ( 2.350 -1.286 5.056) 5.721 1.608 ( -2.389 1.226 3.444) 4.367 1.679 ( -0.291 -2.233 1.411) 2.658 1.789 ( -0.138 -0.700 1.979) 2.103 1.887 ( 1.082 0.407 -0.401) 1.224 1.934 ( 3.045 -1.034 4.310) 5.378 2.016 ( 5.815 -4.710 1.643) 7.662 2.071 ( 3.873 -0.277 1.278) 4.087 2.157 ( 0.129 -2.235 2.065) 3.045 2.228 ( 1.769 -1.458 1.591) 2.790 2.367 ( -0.780 -4.031 -0.729) 4.170 2.487 ( -0.065 0.110 -2.214) 2.217 2.549 ( -2.057 -2.427 1.006) 3.337 2.603 ( -1.306 1.418 -3.612) 4.094 2.699 ( -3.163 1.581 -0.729) 3.611 2.774 ( -1.787 1.411 -1.719) 2.853 2.828 ( -0.218 -1.117 0.293) 1.176 2.921 ( -2.426 1.856 -1.537) 3.419 3.046 ( 3.252 -3.499 3.270) 5.789 3.062 ( -2.450 -0.650 -0.521) 2.587 3.166 ( 1.094 1.599 -3.606) 4.094 3.243 ( 1.798 0.778 -0.777) 2.107 3.361 ( -1.935 -0.173 -1.992) 2.782 3.397 ( 1.175 0.015 1.215) 1.690 3.494 ( 1.181 2.958 1.935) 3.726 3.606 ( 0.542 3.224 -0.057) 3.270 3.664 ( -1.179 -1.276 0.450) 1.795 3.741 ( 1.492 -1.827 0.380) 2.389 3.783 ( 3.676 -6.089 1.269) 7.225 3.839 ( -0.970 -3.622 -0.209) 3.755 4.080 ( -0.956 -0.762 -0.626) 1.374 4.102 ( 1.335 -3.596 -0.511) 3.869 4.241 ( -0.221 0.643 -0.575) 0.890 4.440 ( 0.379 -0.785 1.412) 1.660 5.396 ( 0.031 0.165 0.419) 0.451 5.545 ( 0.316 -0.188 -0.060) 0.372 6.124 ( -0.091 0.220 -0.081) 0.251 6.247 ( 0.123 -0.467 0.110) 0.495 6.507 ( 0.091 -0.426 0.221) 0.489 6.580 ( 0.037 0.763 0.102) 0.771 6.628 ( 0.106 0.293 0.288) 0.424 6.684 ( -0.192 -0.916 0.081) 0.939 6.760 ( -0.197 0.291 -0.202) 0.405 7.048 ( -0.211 -0.437 -0.209) 0.529 7.125 ( -0.079 -0.043 0.055) 0.105 7.128 ( 0.292 -0.170 0.027) 0.339 ======================= Grid point 13 (9/126) ======================= q-point: ( 0.20 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 11.051 3.659 10.190) 15.471 0.784 ( 9.792 5.461 9.388) 14.624 1.018 ( 1.698 -5.597 1.077) 5.948 1.137 ( 5.444 -5.318 3.880) 8.543 1.273 ( 2.625 6.025 1.294) 6.698 1.339 ( 5.034 -2.786 3.638) 6.807 1.456 ( 4.400 3.786 5.071) 7.708 1.500 ( 7.885 5.040 4.169) 10.245 1.581 ( 3.046 -1.297 3.704) 4.968 1.698 ( 6.246 2.069 7.903) 10.283 1.748 ( 2.403 0.974 4.261) 4.988 1.823 ( 0.279 2.036 6.135) 6.470 1.938 ( 3.286 0.860 1.242) 3.616 2.017 ( 2.396 -0.237 2.533) 3.495 2.096 ( 2.060 -3.200 0.792) 3.887 2.130 ( 1.856 -1.678 2.284) 3.388 2.169 ( -0.411 -1.752 1.868) 2.594 2.319 ( 0.403 -6.449 0.678) 6.497 2.356 ( 2.606 -0.763 3.870) 4.728 2.461 ( 0.968 -0.607 -4.144) 4.298 2.537 ( -2.953 0.247 0.043) 2.963 2.555 ( 1.143 -1.996 0.765) 2.424 2.667 ( 1.082 0.176 -1.804) 2.111 2.700 ( -3.349 0.294 -1.933) 3.878 2.806 ( -1.703 3.601 -2.793) 4.865 2.896 ( 0.124 0.648 -0.429) 0.787 2.990 ( -3.327 -0.897 -3.508) 4.917 3.114 ( 2.355 -2.008 2.371) 3.899 3.197 ( 3.409 -0.841 1.186) 3.706 3.276 ( 2.919 -0.512 -1.308) 3.239 3.313 ( -1.483 -1.545 0.144) 2.146 3.426 ( -0.142 1.378 1.471) 2.021 3.525 ( 0.433 3.266 1.033) 3.453 3.597 ( -2.770 3.794 -0.331) 4.709 3.639 ( -0.015 -0.027 -0.675) 0.676 3.723 ( -4.747 -0.809 -2.240) 5.311 3.756 ( 1.342 -0.160 -1.303) 1.877 3.868 ( 0.927 -7.564 -0.284) 7.625 4.048 ( -1.410 -0.227 -1.540) 2.100 4.082 ( -1.288 -3.586 -3.314) 5.050 4.217 ( -1.284 0.386 -1.511) 2.020 4.452 ( -0.527 -0.606 0.598) 1.001 5.404 ( 0.124 0.017 0.795) 0.805 5.550 ( 0.538 -0.092 -0.135) 0.563 6.123 ( -0.034 0.105 0.004) 0.110 6.251 ( 0.191 -0.390 0.175) 0.468 6.511 ( -0.007 -0.124 0.188) 0.225 6.581 ( -0.050 0.835 0.077) 0.840 6.633 ( 0.089 0.258 0.268) 0.383 6.682 ( -0.243 -1.036 0.238) 1.091 6.754 ( -0.240 0.284 -0.298) 0.477 7.040 ( -0.351 -0.308 -0.355) 0.587 7.127 ( 0.120 -0.047 0.296) 0.323 7.135 ( 0.409 -0.095 0.078) 0.427 ======================= Grid point 14 (10/126) ======================= q-point: ( 0.30 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 3.695 -0.743 2.857) 4.729 1.008 ( 6.654 0.575 6.462) 9.293 1.116 ( 6.591 1.216 4.785) 8.235 1.247 ( 3.733 -3.975 2.259) 5.903 1.336 ( 4.573 6.205 2.714) 8.172 1.447 ( 2.954 -4.725 4.302) 7.040 1.525 ( 3.160 0.967 3.364) 4.715 1.610 ( 5.596 2.468 1.515) 6.301 1.714 ( 2.701 -1.201 3.396) 4.503 1.838 ( 1.763 -2.203 4.219) 5.075 1.893 ( 1.218 1.078 3.149) 3.545 1.921 ( 2.387 0.437 4.261) 4.904 2.001 ( 3.485 1.666 3.614) 5.290 2.078 ( 2.577 3.862 2.088) 5.090 2.129 ( -1.434 -1.480 0.079) 2.063 2.187 ( 4.391 -0.553 5.813) 7.306 2.243 ( 4.972 -2.762 3.349) 6.600 2.341 ( 0.926 -2.653 2.889) 4.030 2.396 ( 0.439 1.073 -0.337) 1.207 2.452 ( 0.702 0.311 0.337) 0.838 2.497 ( -1.269 0.274 -2.660) 2.960 2.566 ( -1.111 2.601 -0.171) 2.834 2.648 ( -0.186 -0.662 -0.237) 0.727 2.680 ( -0.476 -0.887 0.410) 1.087 2.773 ( 0.765 0.069 -2.194) 2.324 2.878 ( 2.709 1.988 -2.630) 4.268 2.945 ( 0.407 -3.196 0.692) 3.295 3.165 ( -1.386 -2.386 1.417) 3.102 3.227 ( 2.974 -0.396 -0.863) 3.122 3.322 ( 3.823 -3.440 0.418) 5.160 3.336 ( 1.632 0.775 1.662) 2.455 3.425 ( -1.426 1.439 0.501) 2.087 3.512 ( -3.792 1.980 -2.601) 5.006 3.534 ( -2.048 2.261 1.050) 3.227 3.624 ( -3.289 -0.226 0.076) 3.297 3.656 ( -1.092 1.995 0.794) 2.409 3.757 ( 0.894 -0.053 -1.702) 1.923 3.852 ( -1.121 -5.115 -1.916) 5.576 3.991 ( -3.268 -0.723 -4.588) 5.679 3.997 ( -1.792 -0.375 -3.863) 4.275 4.175 ( -1.509 -0.487 -1.516) 2.194 4.443 ( -0.630 0.202 -0.177) 0.684 5.417 ( 0.173 -0.053 0.842) 0.862 5.557 ( 0.517 -0.007 -0.228) 0.565 6.123 ( -0.016 -0.008 0.055) 0.057 6.256 ( 0.191 -0.356 0.179) 0.442 6.511 ( -0.109 0.112 0.093) 0.182 6.580 ( -0.117 0.857 -0.003) 0.865 6.637 ( 0.030 0.443 0.142) 0.466 6.683 ( -0.132 -1.175 0.478) 1.275 6.747 ( -0.163 0.225 -0.335) 0.436 7.030 ( -0.348 -0.074 -0.345) 0.496 7.133 ( 0.138 -0.108 0.327) 0.371 7.142 ( 0.350 -0.021 0.067) 0.357 ======================= Grid point 15 (11/126) ======================= q-point: ( 0.40 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.983 -1.303 1.207) 2.029 1.085 ( 0.306 -2.603 0.627) 2.695 1.276 ( 5.526 0.161 3.608) 6.601 1.348 ( 4.665 -1.584 2.434) 5.495 1.437 ( 4.211 5.965 1.659) 7.488 1.517 ( 0.557 -0.294 4.481) 4.525 1.640 ( 4.165 -1.702 4.919) 6.667 1.744 ( 6.365 0.623 2.091) 6.729 1.758 ( 0.700 -2.495 -1.387) 2.939 1.845 ( -0.547 -1.021 -0.294) 1.195 1.922 ( -0.296 -1.036 3.563) 3.722 1.976 ( 1.165 0.180 1.036) 1.570 2.049 ( 0.761 1.533 0.493) 1.781 2.118 ( -0.566 0.657 2.143) 2.312 2.150 ( 0.956 1.092 1.233) 1.904 2.235 ( -1.549 -0.887 1.785) 2.524 2.314 ( -0.998 -1.486 -0.370) 1.828 2.353 ( -1.735 -0.068 -1.716) 2.441 2.411 ( 0.394 2.074 -0.060) 2.112 2.435 ( -1.689 1.381 -2.321) 3.185 2.504 ( 1.354 1.602 1.635) 2.659 2.564 ( 2.076 -0.105 1.102) 2.353 2.682 ( 2.183 -0.479 2.556) 3.395 2.723 ( 1.265 1.031 -1.889) 2.497 2.757 ( 5.111 2.904 3.663) 6.927 2.941 ( 3.499 -1.436 0.725) 3.851 2.983 ( 1.928 -2.581 1.763) 3.673 3.125 ( -1.844 -2.688 -1.316) 3.516 3.269 ( 0.718 0.971 -0.743) 1.418 3.347 ( -0.285 0.893 0.360) 1.004 3.377 ( -0.188 -1.379 -1.766) 2.249 3.403 ( 2.202 -0.562 -0.208) 2.282 3.469 ( 0.411 -0.260 1.977) 2.036 3.523 ( -2.174 1.042 2.387) 3.393 3.583 ( -2.704 -0.818 0.876) 2.957 3.651 ( -2.111 1.892 1.199) 3.078 3.743 ( -0.415 -0.357 -0.961) 1.106 3.788 ( -1.681 -0.363 -4.040) 4.391 3.878 ( -3.248 0.065 -5.092) 6.041 3.934 ( -0.692 -0.617 -2.759) 2.911 4.143 ( -0.838 -1.552 -0.746) 1.915 4.433 ( -0.303 0.815 -0.272) 0.911 5.428 ( 0.127 -0.055 0.531) 0.549 5.560 ( 0.302 0.049 -0.195) 0.363 6.123 ( -0.011 -0.056 0.050) 0.075 6.261 ( 0.121 -0.370 0.118) 0.406 6.510 ( -0.095 0.237 0.035) 0.258 6.578 ( -0.102 0.885 -0.049) 0.892 6.638 ( -0.033 0.447 0.029) 0.449 6.688 ( -0.035 -1.148 0.445) 1.232 6.741 ( -0.049 0.165 -0.255) 0.307 7.023 ( -0.207 0.144 -0.198) 0.320 7.138 ( 0.072 -0.110 0.197) 0.237 7.146 ( 0.189 0.035 0.029) 0.194 ======================= Grid point 16 (12/126) ======================= q-point: (-0.50 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.000 -1.002 0.000) 1.002 1.087 ( 0.000 -3.926 0.000) 3.926 1.337 ( -0.000 0.532 0.000) 0.532 1.409 ( 0.000 0.486 -0.000) 0.486 1.463 ( -0.000 0.661 0.000) 0.661 1.620 ( -0.000 -1.013 -0.000) 1.013 1.662 ( 0.000 -1.899 0.000) 1.899 1.717 ( 0.000 -1.283 0.000) 1.283 1.815 ( 0.000 4.503 0.000) 4.503 1.872 ( -0.000 0.655 -0.000) 0.655 1.951 ( -0.000 -2.697 -0.000) 2.697 1.973 ( 0.000 -0.254 0.000) 0.254 2.093 ( -0.000 1.712 -0.000) 1.712 2.122 ( 0.000 0.092 0.000) 0.092 2.137 ( 0.000 0.234 -0.000) 0.234 2.236 ( 0.000 0.376 -0.000) 0.376 2.290 ( 0.000 -0.631 0.000) 0.631 2.310 ( 0.000 1.807 -0.000) 1.807 2.373 ( 0.000 0.080 0.000) 0.080 2.431 ( 0.000 1.179 0.000) 1.179 2.521 ( 0.000 0.280 0.000) 0.280 2.627 ( 0.000 1.709 0.000) 1.709 2.661 ( -0.000 -2.431 0.000) 2.431 2.762 ( 0.000 2.622 -0.000) 2.622 2.838 ( 0.000 -0.277 0.000) 0.277 2.977 ( 0.000 -3.543 0.000) 3.543 3.019 ( 0.000 3.593 0.000) 3.593 3.113 ( 0.000 -1.343 0.000) 1.343 3.232 ( -0.000 -0.283 0.000) 0.283 3.339 ( -0.000 -1.238 -0.000) 1.238 3.383 ( 0.000 -0.159 0.000) 0.159 3.424 ( 0.000 0.274 0.000) 0.274 3.501 ( -0.000 -1.104 0.000) 1.104 3.525 ( 0.000 -0.874 0.000) 0.874 3.562 ( -0.000 -0.637 -0.000) 0.637 3.627 ( 0.000 0.242 0.000) 0.242 3.735 ( 0.000 1.365 -0.000) 1.365 3.754 ( 0.000 1.309 0.000) 1.309 3.803 ( 0.000 0.812 -0.000) 0.812 3.915 ( 0.000 -1.219 0.000) 1.219 4.132 ( 0.000 -1.975 0.000) 1.975 4.429 ( 0.000 1.071 0.000) 1.071 5.432 ( 0.000 -0.047 0.000) 0.047 5.561 ( 0.000 0.066 0.000) 0.066 6.123 ( 0.000 -0.067 0.000) 0.067 6.262 ( 0.000 -0.384 0.000) 0.384 6.510 ( 0.000 0.280 0.000) 0.280 6.577 ( 0.000 0.898 0.000) 0.898 6.637 ( 0.000 0.403 0.000) 0.403 6.691 ( -0.000 -1.105 0.000) 1.105 6.739 ( 0.000 0.141 0.000) 0.141 7.020 ( 0.000 0.234 0.000) 0.234 7.140 ( 0.000 -0.104 0.000) 0.104 7.148 ( 0.000 0.057 0.000) 0.057 ======================= Grid point 22 (13/126) ======================= q-point: ( 0.00 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.000 -0.000 0.000) 0.000 0.606 ( 0.000 0.000 0.000) 0.000 0.756 ( 0.000 0.000 0.000) 0.000 0.782 ( 0.000 -0.000 0.000) 0.000 1.213 ( 0.000 -0.000 0.000) 0.000 1.261 ( 0.000 -0.000 0.000) 0.000 1.388 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 -0.000 0.000) 0.000 1.479 ( 0.000 -0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 -0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 -0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.134 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 -0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 -0.000 0.000) 0.000 2.700 ( 0.000 -0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 -0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 -0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 -0.000 0.000) 0.000 3.359 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 -0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.536 ( 0.000 -0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 -0.000 0.000) 0.000 4.255 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 6.128 ( 0.000 0.000 0.000) 0.000 6.238 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 6.638 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 -0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.122 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 24 (14/126) ======================= q-point: ( 0.10 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 3.969 -0.000 7.337) 8.342 0.718 ( 6.822 0.000 8.860) 11.182 0.795 ( 3.522 0.000 3.876) 5.238 0.849 ( 2.989 -0.000 2.611) 3.968 1.282 ( 1.240 0.000 0.068) 1.242 1.334 ( 7.237 -0.000 6.271) 9.576 1.413 ( 4.221 0.000 1.295) 4.415 1.430 ( 1.246 -0.000 0.324) 1.288 1.516 ( 4.675 -0.000 2.738) 5.418 1.528 ( 0.145 0.000 0.820) 0.832 1.627 ( 1.876 0.000 6.016) 6.302 1.774 ( 1.130 0.000 3.413) 3.595 1.851 ( 4.800 -0.000 2.461) 5.394 1.939 ( 3.404 -0.000 3.625) 4.972 1.952 ( 1.458 0.000 2.813) 3.169 2.122 ( 2.332 0.000 -0.854) 2.484 2.130 ( -0.049 -0.000 -0.001) 0.049 2.180 ( -1.397 -0.000 0.620) 1.528 2.328 ( -1.016 -0.000 0.715) 1.242 2.494 ( 0.049 -0.000 -2.538) 2.539 2.505 ( 0.181 0.000 -0.858) 0.877 2.633 ( -3.772 -0.000 -3.160) 4.920 2.721 ( -2.281 0.000 -2.607) 3.464 2.757 ( -1.983 -0.000 -0.706) 2.105 2.871 ( 2.758 -0.000 2.060) 3.443 2.903 ( 0.515 0.000 -0.573) 0.770 2.998 ( -0.243 0.000 1.810) 1.826 3.059 ( -3.276 0.000 0.193) 3.282 3.184 ( 1.099 0.000 -5.023) 5.142 3.242 ( 1.884 0.000 0.588) 1.973 3.362 ( -3.490 -0.000 -2.105) 4.076 3.396 ( 2.130 -0.000 2.010) 2.929 3.579 ( 2.548 0.000 3.080) 3.997 3.586 ( 0.166 -0.000 3.214) 3.218 3.640 ( 4.019 0.000 0.297) 4.030 3.698 ( -1.540 -0.000 -0.282) 1.566 3.760 ( 1.853 -0.000 -0.877) 2.050 3.812 ( -3.278 -0.000 -1.895) 3.786 4.066 ( 0.790 0.000 -1.269) 1.495 4.075 ( -0.968 -0.000 -0.852) 1.289 4.250 ( -0.465 0.000 -0.596) 0.756 4.434 ( 0.328 0.000 0.813) 0.877 5.398 ( -0.012 0.000 0.355) 0.355 5.542 ( 0.366 0.000 -0.010) 0.366 6.126 ( -0.068 0.000 -0.133) 0.149 6.241 ( 0.145 -0.000 0.167) 0.221 6.502 ( 0.238 0.000 0.259) 0.352 6.588 ( 0.091 -0.000 0.188) 0.209 6.639 ( 0.024 -0.000 0.102) 0.105 6.668 ( -0.190 0.000 -0.055) 0.198 6.764 ( -0.185 -0.000 -0.183) 0.260 7.043 ( -0.247 0.000 -0.097) 0.265 7.123 ( 0.036 -0.000 0.122) 0.127 7.126 ( 0.300 -0.000 0.094) 0.315 ======================= Grid point 26 (15/126) ======================= q-point: ( 0.20 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 6.957 0.000 10.652) 12.723 0.882 ( 1.885 -0.000 0.782) 2.040 0.947 ( 7.539 0.000 5.887) 9.565 0.979 ( 8.950 -0.000 9.826) 13.291 1.295 ( 1.799 0.000 -0.168) 1.807 1.404 ( -2.092 -0.000 3.080) 3.723 1.485 ( 2.891 0.000 0.876) 3.020 1.519 ( 4.643 -0.000 1.576) 4.903 1.604 ( 6.176 0.000 5.131) 8.030 1.725 ( 6.160 -0.000 7.146) 9.434 1.777 ( 5.435 -0.000 7.648) 9.382 1.831 ( 5.661 0.000 4.883) 7.476 1.961 ( -2.637 -0.000 1.168) 2.884 1.993 ( 6.910 -0.000 4.016) 7.993 2.048 ( 4.133 0.000 2.368) 4.764 2.133 ( -1.699 0.000 1.869) 2.525 2.167 ( 2.028 0.000 1.707) 2.651 2.198 ( 2.908 -0.000 3.274) 4.378 2.346 ( 1.631 0.000 3.140) 3.539 2.448 ( 0.465 -0.000 -5.326) 5.347 2.517 ( 2.843 0.000 -1.075) 3.039 2.553 ( -3.590 0.000 0.001) 3.590 2.676 ( -0.119 0.000 -1.742) 1.746 2.702 ( -3.478 -0.000 -1.267) 3.701 2.862 ( -1.760 0.000 -3.219) 3.669 2.902 ( -0.056 -0.000 -0.092) 0.108 2.985 ( -3.852 -0.000 -3.858) 5.452 3.068 ( 3.821 0.000 4.154) 5.644 3.192 ( 3.841 0.000 -0.268) 3.851 3.264 ( -0.210 0.000 -3.302) 3.309 3.302 ( -0.770 0.000 1.847) 2.001 3.440 ( -0.100 -0.000 2.266) 2.268 3.594 ( -0.969 -0.000 0.434) 1.062 3.615 ( -1.460 0.000 0.388) 1.511 3.680 ( -1.285 0.000 2.330) 2.661 3.686 ( -2.463 -0.000 -2.073) 3.219 3.744 ( 1.309 -0.000 -1.198) 1.775 3.773 ( 1.809 -0.000 -1.997) 2.694 4.043 ( -1.536 -0.000 -1.291) 2.007 4.045 ( -0.197 0.000 -3.344) 3.350 4.221 ( -1.610 -0.000 -1.589) 2.262 4.446 ( 0.025 0.000 0.457) 0.458 5.405 ( 0.085 0.000 0.706) 0.712 5.549 ( 0.588 0.000 -0.088) 0.595 6.124 ( -0.053 0.000 -0.105) 0.118 6.246 ( 0.206 -0.000 0.229) 0.308 6.509 ( 0.174 0.000 0.253) 0.307 6.591 ( -0.006 -0.000 0.159) 0.159 6.643 ( 0.280 -0.000 0.360) 0.456 6.663 ( -0.346 0.000 -0.111) 0.364 6.757 ( -0.291 0.000 -0.265) 0.393 7.036 ( -0.301 0.000 -0.219) 0.372 7.126 ( 0.092 -0.000 0.319) 0.332 7.133 ( 0.429 -0.000 0.132) 0.449 ======================= Grid point 28 (16/126) ======================= q-point: ( 0.30 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 2.364 0.000 1.922) 3.047 1.009 ( 1.720 0.000 5.184) 5.461 1.154 ( 8.996 -0.000 7.971) 12.019 1.179 ( 4.631 0.000 4.326) 6.338 1.367 ( 5.445 -0.000 3.105) 6.268 1.461 ( 3.462 -0.000 5.748) 6.710 1.534 ( 2.120 0.000 1.074) 2.377 1.604 ( 5.393 -0.000 1.216) 5.529 1.745 ( 3.433 0.000 3.506) 4.907 1.778 ( 0.622 0.000 2.135) 2.224 1.878 ( -1.511 -0.000 -1.730) 2.297 1.952 ( 1.700 -0.000 5.626) 5.877 1.998 ( 2.219 0.000 2.580) 3.404 2.120 ( 0.688 0.000 0.492) 0.846 2.127 ( 1.411 0.000 6.195) 6.354 2.172 ( 3.001 -0.000 4.429) 5.350 2.239 ( 4.555 -0.000 1.967) 4.961 2.315 ( 5.475 0.000 2.859) 6.177 2.418 ( 2.367 0.000 -1.986) 3.090 2.436 ( 3.711 0.000 1.808) 4.128 2.536 ( 0.578 -0.000 2.522) 2.588 2.548 ( 1.338 0.000 0.946) 1.638 2.632 ( -2.986 -0.000 -0.750) 3.079 2.663 ( -0.454 0.000 -0.218) 0.504 2.807 ( -1.362 0.000 -2.465) 2.816 2.897 ( -0.353 -0.000 0.545) 0.649 2.903 ( 2.095 0.000 -4.045) 4.555 3.132 ( -2.841 -0.000 1.758) 3.341 3.243 ( 5.631 -0.000 -2.572) 6.191 3.261 ( 3.927 0.000 1.158) 4.094 3.340 ( 0.954 0.000 2.551) 2.724 3.444 ( -1.947 -0.000 1.124) 2.248 3.539 ( -5.397 0.000 -2.839) 6.098 3.573 ( -3.602 -0.000 0.509) 3.638 3.608 ( -2.313 0.000 -0.386) 2.345 3.695 ( -2.282 0.000 3.413) 4.106 3.762 ( 0.610 0.000 -2.824) 2.889 3.772 ( 2.836 -0.000 -1.773) 3.344 3.979 ( -1.359 0.000 -5.574) 5.737 3.992 ( -2.552 0.000 -2.288) 3.427 4.169 ( -2.115 -0.000 -1.892) 2.838 4.446 ( -0.108 0.000 -0.147) 0.182 5.416 ( 0.171 0.000 0.805) 0.823 5.556 ( 0.558 0.000 -0.193) 0.590 6.122 ( -0.020 0.000 -0.020) 0.028 6.252 ( 0.183 0.000 0.195) 0.268 6.513 ( 0.003 -0.000 0.128) 0.128 6.592 ( -0.097 -0.000 0.043) 0.106 6.655 ( 0.481 -0.000 0.510) 0.701 6.656 ( -0.397 0.000 -0.129) 0.418 6.749 ( -0.295 0.000 -0.230) 0.374 7.029 ( -0.231 0.000 -0.237) 0.331 7.132 ( 0.101 -0.000 0.369) 0.383 7.141 ( 0.373 -0.000 0.109) 0.388 ======================= Grid point 30 (17/126) ======================= q-point: ( 0.40 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.693 0.000 1.657) 1.796 1.037 ( -1.293 0.000 1.357) 1.874 1.263 ( 3.453 -0.000 1.051) 3.609 1.367 ( 6.540 0.000 6.410) 9.158 1.459 ( 2.246 -0.000 0.320) 2.269 1.583 ( 0.886 -0.000 3.378) 3.492 1.609 ( 5.230 0.000 5.180) 7.361 1.683 ( 0.447 -0.000 -2.446) 2.486 1.776 ( 3.589 -0.000 2.525) 4.389 1.839 ( 2.880 -0.000 2.148) 3.593 1.887 ( 1.556 0.000 2.162) 2.664 1.998 ( -0.936 -0.000 0.766) 1.210 2.047 ( 2.353 0.000 2.656) 3.549 2.132 ( -0.031 0.000 1.216) 1.216 2.175 ( -1.212 -0.000 -3.010) 3.245 2.209 ( 0.182 -0.000 3.426) 3.431 2.294 ( 1.089 0.000 0.719) 1.305 2.359 ( -1.263 0.000 -2.286) 2.611 2.435 ( 1.141 0.000 0.174) 1.154 2.448 ( -3.276 0.000 -2.094) 3.888 2.543 ( -2.273 -0.000 0.349) 2.299 2.547 ( 2.559 0.000 0.500) 2.607 2.692 ( -2.133 -0.000 1.098) 2.399 2.731 ( 8.280 0.000 4.902) 9.623 2.799 ( 3.718 -0.000 1.219) 3.913 2.912 ( -0.025 0.000 2.595) 2.596 2.946 ( 6.198 0.000 -0.673) 6.235 3.090 ( -1.490 -0.000 -0.252) 1.511 3.306 ( 3.891 -0.000 -1.402) 4.136 3.321 ( 0.836 0.000 -1.091) 1.375 3.379 ( -4.571 -0.000 -0.868) 4.653 3.390 ( 2.159 0.000 1.834) 2.833 3.470 ( 0.030 0.000 0.427) 0.428 3.530 ( -4.165 0.000 2.157) 4.691 3.576 ( -2.158 0.000 0.470) 2.208 3.671 ( -3.576 0.000 0.038) 3.576 3.742 ( -0.385 0.000 -0.066) 0.391 3.782 ( 0.959 -0.000 -1.865) 2.097 3.889 ( -0.687 -0.000 -5.845) 5.886 3.917 ( -2.533 0.000 -2.767) 3.751 4.124 ( -1.285 0.000 -0.986) 1.620 4.443 ( 0.019 0.000 -0.230) 0.231 5.427 ( 0.136 0.000 0.528) 0.545 5.561 ( 0.321 0.000 -0.179) 0.368 6.122 ( -0.006 0.000 0.017) 0.018 6.256 ( 0.106 0.000 0.112) 0.154 6.513 ( -0.041 0.000 0.053) 0.067 6.590 ( -0.091 -0.000 -0.025) 0.094 6.649 ( -0.266 0.000 -0.080) 0.277 6.667 ( 0.358 0.000 0.345) 0.497 6.744 ( -0.191 0.000 -0.121) 0.226 7.024 ( -0.114 0.000 -0.135) 0.177 7.137 ( 0.055 -0.000 0.227) 0.234 7.146 ( 0.206 0.000 0.056) 0.213 ======================= Grid point 32 (18/126) ======================= q-point: (-0.50 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.000 0.000 0.000) 0.000 1.032 ( 0.000 0.000 0.000) 0.000 1.301 ( -0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.474 ( 0.000 0.000 0.000) 0.000 1.616 ( 0.000 0.000 -0.000) 0.000 1.621 ( 0.000 -0.000 0.000) 0.000 1.700 ( 0.000 -0.000 0.000) 0.000 1.876 ( 0.000 -0.000 -0.000) 0.000 1.876 ( -0.000 0.000 -0.000) 0.000 1.909 ( 0.000 0.000 -0.000) 0.000 1.974 ( 0.000 -0.000 0.000) 0.000 2.117 ( -0.000 0.000 -0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 -0.000) 0.000 2.212 ( 0.000 -0.000 -0.000) 0.000 2.301 ( 0.000 -0.000 0.000) 0.000 2.331 ( -0.000 0.000 -0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 -0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.633 ( -0.000 0.000 -0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 -0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.053 ( 0.000 0.000 -0.000) 0.000 3.093 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.426 ( -0.000 0.000 -0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 3.560 ( -0.000 -0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 -0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 -0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.513 ( 0.000 0.000 0.000) 0.000 6.589 ( 0.000 -0.000 0.000) 0.000 6.646 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 -0.000) 0.000 6.741 ( 0.000 0.000 0.000) 0.000 7.023 ( 0.000 0.000 0.000) 0.000 7.139 ( 0.000 0.000 0.000) 0.000 7.148 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 55 (19/126) ======================= q-point: ( 0.00 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 4.562 0.000 15.583) 16.237 0.358 ( 6.254 0.000 17.685) 18.758 0.702 ( -3.114 0.000 33.904) 34.046 1.062 ( -2.227 0.000 8.465) 8.753 1.185 ( -3.079 0.000 -2.272) 3.827 1.266 ( -0.716 0.000 4.013) 4.077 1.378 ( 0.938 0.000 -2.899) 3.047 1.381 ( 0.033 0.000 1.852) 1.852 1.537 ( 2.426 0.000 5.060) 5.612 1.611 ( 3.937 0.000 3.460) 5.242 1.720 ( -3.800 0.000 0.817) 3.887 1.786 ( 0.569 0.000 0.222) 0.611 1.920 ( -2.827 0.000 0.552) 2.881 1.921 ( 6.080 0.000 3.595) 7.063 1.977 ( 1.714 0.000 0.125) 1.719 2.041 ( 1.825 0.000 2.464) 3.067 2.178 ( 5.469 0.000 -1.625) 5.705 2.226 ( -0.534 0.000 2.575) 2.630 2.433 ( -3.210 0.000 2.739) 4.220 2.484 ( 0.756 0.000 -3.699) 3.776 2.565 ( 2.063 0.000 -4.524) 4.972 2.643 ( -3.015 0.000 -0.363) 3.037 2.704 ( -1.319 0.000 1.038) 1.678 2.777 ( 0.568 0.000 0.661) 0.872 2.891 ( -0.809 0.000 -3.004) 3.111 2.923 ( -5.363 0.000 -0.004) 5.363 3.039 ( 1.531 0.000 4.243) 4.511 3.113 ( 1.540 0.000 0.200) 1.553 3.160 ( 1.235 0.000 -1.184) 1.710 3.194 ( -7.930 0.000 -1.326) 8.040 3.351 ( 0.507 0.000 -0.666) 0.837 3.353 ( -0.064 0.000 -2.581) 2.581 3.524 ( 0.262 0.000 2.760) 2.772 3.557 ( -0.850 0.000 1.816) 2.005 3.713 ( -2.407 0.000 0.558) 2.470 3.726 ( 0.104 0.000 -1.343) 1.347 3.740 ( 17.421 0.000 -3.620) 17.793 3.841 ( -0.436 0.000 -2.446) 2.485 4.100 ( -1.067 0.000 -0.754) 1.307 4.100 ( 4.563 0.000 -2.990) 5.455 4.216 ( 0.083 0.000 -0.531) 0.538 4.433 ( 2.470 0.000 -0.700) 2.567 5.409 ( -0.628 0.000 1.364) 1.501 5.531 ( 0.987 0.000 -1.235) 1.581 6.127 ( -0.562 0.000 0.871) 1.037 6.250 ( 0.205 0.000 -0.168) 0.265 6.517 ( -0.115 0.000 0.352) 0.370 6.570 ( -0.068 0.000 0.224) 0.234 6.624 ( 0.749 0.000 -0.157) 0.765 6.689 ( 0.455 0.000 -0.512) 0.686 6.774 ( -1.303 0.000 1.635) 2.091 7.055 ( -0.192 0.000 -0.405) 0.448 7.122 ( -0.188 0.000 0.615) 0.644 7.133 ( -0.241 0.000 0.495) 0.551 ======================= Grid point 56 (20/126) ======================= q-point: ( 0.10 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 11.010 0.000 12.685) 16.797 0.686 ( 8.331 0.000 16.161) 18.182 1.090 ( 3.503 0.000 7.428) 8.213 1.095 ( -3.280 0.000 -2.688) 4.241 1.191 ( 8.710 0.000 21.805) 23.480 1.311 ( 1.453 0.000 3.650) 3.928 1.378 ( 1.916 0.000 -1.431) 2.391 1.449 ( 4.337 0.000 3.332) 5.470 1.562 ( -2.666 0.000 1.032) 2.859 1.734 ( 2.984 0.000 5.859) 6.575 1.737 ( 0.786 0.000 6.728) 6.774 1.815 ( 0.713 0.000 3.663) 3.732 1.918 ( 1.343 0.000 2.476) 2.816 2.018 ( 3.210 0.000 0.364) 3.231 2.061 ( 5.844 0.000 1.787) 6.111 2.111 ( 2.732 0.000 2.514) 3.713 2.208 ( 1.235 0.000 -0.905) 1.531 2.326 ( 5.998 0.000 2.480) 6.491 2.426 ( -1.902 0.000 -3.386) 3.884 2.431 ( -1.557 0.000 3.319) 3.666 2.556 ( 3.737 0.000 -2.294) 4.385 2.584 ( -4.100 0.000 0.300) 4.111 2.695 ( -2.051 0.000 1.658) 2.638 2.733 ( -4.225 0.000 -1.665) 4.541 2.806 ( -8.240 0.000 -0.922) 8.292 2.872 ( 1.638 0.000 -2.081) 2.648 3.058 ( -5.578 0.000 -1.331) 5.735 3.104 ( 1.517 0.000 2.106) 2.595 3.181 ( 4.145 0.000 -2.190) 4.688 3.187 ( 4.100 0.000 1.121) 4.251 3.345 ( 0.978 0.000 0.035) 0.979 3.384 ( 2.054 0.000 0.142) 2.059 3.541 ( -1.589 0.000 1.356) 2.089 3.549 ( -1.755 0.000 1.028) 2.034 3.675 ( -2.667 0.000 -0.055) 2.668 3.711 ( 1.073 0.000 -3.015) 3.200 3.786 ( -2.901 0.000 -1.615) 3.320 3.868 ( 8.530 0.000 -6.470) 10.706 4.060 ( -1.877 0.000 -1.838) 2.627 4.095 ( 2.370 0.000 -7.526) 7.890 4.209 ( -0.366 0.000 -0.673) 0.766 4.454 ( 1.840 0.000 -2.055) 2.758 5.415 ( -0.485 0.000 1.220) 1.313 5.534 ( 1.165 0.000 -1.048) 1.567 6.129 ( -0.548 0.000 0.892) 1.047 6.252 ( 0.315 0.000 -0.144) 0.346 6.519 ( -0.312 0.000 0.408) 0.514 6.571 ( -0.056 0.000 0.100) 0.114 6.630 ( 0.445 0.000 -0.282) 0.527 6.688 ( 0.417 0.000 -0.611) 0.740 6.774 ( -1.575 0.000 1.967) 2.520 7.045 ( -0.292 0.000 -0.618) 0.684 7.129 ( -0.014 0.000 0.732) 0.733 7.137 ( -0.152 0.000 0.556) 0.576 ======================= Grid point 57 (21/126) ======================= q-point: ( 0.20 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 8.057 0.000 7.127) 10.757 0.959 ( 4.633 0.000 10.507) 11.483 1.077 ( 2.495 0.000 3.047) 3.939 1.158 ( 3.553 0.000 2.979) 4.636 1.395 ( 1.959 0.000 -0.334) 1.987 1.396 ( 2.280 0.000 4.610) 5.143 1.483 ( 5.186 0.000 4.529) 6.885 1.557 ( 0.911 0.000 1.669) 1.901 1.706 ( 13.780 0.000 10.305) 17.207 1.768 ( 0.593 0.000 3.034) 3.092 1.852 ( 3.250 0.000 5.724) 6.582 1.917 ( 2.958 0.000 3.884) 4.882 2.006 ( 0.015 0.000 7.249) 7.249 2.033 ( 0.159 0.000 -2.062) 2.068 2.150 ( 3.792 0.000 -0.186) 3.796 2.196 ( 5.919 0.000 2.943) 6.610 2.208 ( 0.312 0.000 -1.001) 1.049 2.384 ( -0.202 0.000 0.646) 0.677 2.387 ( 2.015 0.000 -0.434) 2.061 2.464 ( -0.016 0.000 2.538) 2.539 2.536 ( -3.080 0.000 1.039) 3.250 2.583 ( -4.916 0.000 -0.066) 4.916 2.644 ( -3.020 0.000 -3.405) 4.552 2.678 ( -1.304 0.000 -1.487) 1.978 2.736 ( 2.989 0.000 4.423) 5.338 2.826 ( -2.012 0.000 -5.644) 5.992 3.007 ( -1.338 0.000 2.185) 2.562 3.154 ( 4.306 0.000 -0.795) 4.379 3.217 ( 3.237 0.000 -1.776) 3.693 3.260 ( 3.193 0.000 1.190) 3.407 3.368 ( 0.412 0.000 1.073) 1.149 3.395 ( -0.060 0.000 -1.441) 1.443 3.511 ( -2.097 0.000 -0.759) 2.230 3.528 ( -1.615 0.000 -0.041) 1.615 3.646 ( -1.368 0.000 0.906) 1.641 3.678 ( -0.137 0.000 -3.305) 3.308 3.744 ( -1.836 0.000 0.916) 2.052 3.887 ( 3.471 0.000 -5.217) 6.266 4.000 ( -2.486 0.000 -2.902) 3.822 4.006 ( -2.099 0.000 -7.036) 7.343 4.191 ( -1.063 0.000 -0.203) 1.082 4.443 ( 0.158 0.000 -1.925) 1.932 5.422 ( -0.102 0.000 0.633) 0.642 5.541 ( 1.105 0.000 -0.755) 1.339 6.131 ( -0.568 0.000 0.850) 1.022 6.256 ( 0.410 0.000 -0.159) 0.440 6.518 ( -0.492 0.000 0.472) 0.682 6.570 ( -0.056 0.000 -0.191) 0.199 6.632 ( 0.192 0.000 -0.111) 0.221 6.687 ( 0.562 0.000 -0.874) 1.039 6.774 ( -1.890 0.000 2.579) 3.198 7.032 ( -0.281 0.000 -0.817) 0.864 7.138 ( -0.029 0.000 0.683) 0.683 7.141 ( -0.068 0.000 0.495) 0.500 ======================= Grid point 58 (22/126) ======================= q-point: ( 0.30 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 1.467 0.000 3.858) 4.128 1.058 ( 2.143 0.000 0.914) 2.330 1.234 ( 8.809 0.000 5.656) 10.468 1.294 ( 2.996 0.000 7.072) 7.680 1.437 ( 2.928 0.000 1.097) 3.126 1.443 ( -0.284 0.000 2.156) 2.175 1.634 ( 6.841 0.000 3.877) 7.863 1.643 ( 6.825 0.000 2.747) 7.357 1.757 ( 2.159 0.000 -1.000) 2.379 1.910 ( -2.386 0.000 -2.170) 3.225 1.931 ( 0.198 0.000 -0.124) 0.233 1.980 ( 1.882 0.000 4.386) 4.773 1.992 ( 0.052 0.000 -1.333) 1.334 2.129 ( 3.786 0.000 7.763) 8.637 2.164 ( -0.813 0.000 1.058) 1.335 2.227 ( 2.970 0.000 -1.492) 3.323 2.323 ( 4.736 0.000 0.752) 4.795 2.382 ( -1.333 0.000 -3.476) 3.722 2.408 ( -0.629 0.000 -0.367) 0.728 2.439 ( -7.525 0.000 0.018) 7.525 2.505 ( -0.700 0.000 3.749) 3.813 2.527 ( 0.649 0.000 1.352) 1.500 2.625 ( 4.663 0.000 2.839) 5.459 2.679 ( 1.714 0.000 -0.193) 1.725 2.722 ( -1.982 0.000 -4.671) 5.074 2.858 ( 5.701 0.000 0.659) 5.739 3.040 ( 0.381 0.000 3.565) 3.586 3.172 ( 0.474 0.000 -4.147) 4.174 3.265 ( 5.280 0.000 -0.100) 5.281 3.288 ( -2.410 0.000 -0.214) 2.419 3.356 ( 1.763 0.000 -4.089) 4.453 3.373 ( 0.837 0.000 -0.976) 1.285 3.497 ( 0.015 0.000 1.864) 1.864 3.515 ( -0.746 0.000 1.167) 1.385 3.645 ( -1.401 0.000 1.618) 2.141 3.648 ( -0.053 0.000 -1.465) 1.466 3.740 ( -0.744 0.000 1.557) 1.726 3.821 ( -3.429 0.000 -6.939) 7.740 3.911 ( -4.019 0.000 -3.510) 5.335 3.921 ( -0.278 0.000 -1.718) 1.741 4.177 ( -1.148 0.000 0.843) 1.425 4.421 ( -0.110 0.000 -1.528) 1.532 5.427 ( 0.223 0.000 -0.096) 0.243 5.549 ( 0.845 0.000 -0.377) 0.926 6.132 ( -0.590 0.000 0.771) 0.971 6.260 ( 0.434 0.000 -0.246) 0.499 6.515 ( -0.585 0.000 0.505) 0.773 6.566 ( 0.028 0.000 -0.418) 0.419 6.634 ( 0.039 0.000 0.032) 0.051 6.684 ( 0.729 0.000 -1.301) 1.491 6.777 ( -2.167 0.000 3.162) 3.833 7.019 ( -0.058 0.000 -0.831) 0.833 7.144 ( -0.148 0.000 0.519) 0.540 7.146 ( -0.056 0.000 0.392) 0.396 ======================= Grid point 59 (23/126) ======================= q-point: ( 0.40 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -1.721 0.000 3.189) 3.624 1.094 ( 2.801 0.000 -0.762) 2.903 1.347 ( -3.897 0.000 4.038) 5.611 1.409 ( 5.571 0.000 0.976) 5.655 1.475 ( 1.500 0.000 0.761) 1.683 1.536 ( 6.857 0.000 5.261) 8.643 1.703 ( 1.820 0.000 -2.238) 2.885 1.735 ( -4.517 0.000 -8.294) 9.444 1.808 ( 3.696 0.000 2.972) 4.743 1.810 ( 0.608 0.000 2.981) 3.042 1.921 ( 1.244 0.000 -2.752) 3.019 1.995 ( 1.134 0.000 -1.861) 2.179 2.054 ( 2.113 0.000 3.437) 4.034 2.142 ( -2.778 0.000 -2.001) 3.423 2.177 ( -3.438 0.000 -0.172) 3.442 2.222 ( -1.095 0.000 -4.115) 4.258 2.291 ( -2.700 0.000 1.656) 3.168 2.304 ( -0.014 0.000 -3.031) 3.031 2.397 ( -1.829 0.000 2.946) 3.468 2.414 ( -0.136 0.000 2.064) 2.068 2.541 ( -0.234 0.000 1.717) 1.732 2.593 ( 3.025 0.000 1.310) 3.296 2.640 ( 1.762 0.000 -4.308) 4.655 2.700 ( 2.485 0.000 -3.462) 4.262 2.808 ( 5.961 0.000 4.664) 7.568 2.923 ( 4.537 0.000 -0.539) 4.569 3.074 ( -2.743 0.000 1.518) 3.135 3.110 ( -1.137 0.000 -3.164) 3.362 3.215 ( 0.987 0.000 -3.569) 3.703 3.339 ( 6.122 0.000 -4.249) 7.453 3.363 ( 0.356 0.000 -0.087) 0.366 3.381 ( 0.870 0.000 0.124) 0.879 3.520 ( -0.050 0.000 0.020) 0.054 3.525 ( -1.003 0.000 1.346) 1.679 3.606 ( -3.785 0.000 -2.460) 4.514 3.633 ( 0.312 0.000 -1.915) 1.940 3.721 ( -1.951 0.000 1.251) 2.318 3.761 ( 0.001 0.000 3.316) 3.316 3.821 ( -3.058 0.000 -0.261) 3.069 3.925 ( 0.594 0.000 1.002) 1.165 4.174 ( -1.131 0.000 1.504) 1.882 4.407 ( 0.333 0.000 -1.046) 1.098 5.426 ( 0.356 0.000 -0.719) 0.803 5.557 ( 0.490 0.000 -0.068) 0.495 6.132 ( -0.593 0.000 0.690) 0.909 6.263 ( 0.362 0.000 -0.383) 0.527 6.512 ( -0.544 0.000 0.513) 0.747 6.562 ( 0.217 0.000 -0.449) 0.498 6.634 ( -0.061 0.000 0.084) 0.104 6.679 ( 0.860 0.000 -1.631) 1.844 6.781 ( -2.379 0.000 3.341) 4.102 7.012 ( 0.306 0.000 -0.667) 0.734 7.145 ( -0.258 0.000 0.339) 0.426 7.149 ( -0.117 0.000 0.326) 0.346 ======================= Grid point 60 (24/126) ======================= q-point: (-0.50 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -2.119 0.000 2.815) 3.523 1.114 ( 0.325 0.000 -1.108) 1.154 1.322 ( -3.979 0.000 2.779) 4.853 1.429 ( -3.424 0.000 -2.932) 4.508 1.467 ( -1.864 0.000 -1.667) 2.501 1.490 ( -6.719 0.000 -5.340) 8.583 1.698 ( 0.590 0.000 -3.328) 3.380 1.727 ( 2.534 0.000 0.070) 2.535 1.787 ( -2.489 0.000 -1.062) 2.706 1.864 ( 0.793 0.000 1.354) 1.569 1.880 ( -0.685 0.000 -5.785) 5.826 1.970 ( 1.965 0.000 -3.900) 4.367 2.041 ( -4.173 0.000 -2.450) 4.839 2.097 ( 0.249 0.000 -4.865) 4.871 2.149 ( -0.760 0.000 1.637) 1.805 2.161 ( 2.412 0.000 -1.913) 3.079 2.308 ( -0.299 0.000 2.733) 2.750 2.320 ( 3.619 0.000 -1.277) 3.838 2.421 ( -2.071 0.000 0.997) 2.299 2.432 ( 0.346 0.000 3.800) 3.816 2.527 ( -2.066 0.000 -0.165) 2.073 2.591 ( -1.787 0.000 0.237) 1.803 2.667 ( 0.488 0.000 -4.068) 4.097 2.674 ( 4.549 0.000 -0.831) 4.625 2.828 ( -7.210 0.000 -2.883) 7.765 2.988 ( 1.063 0.000 1.130) 1.551 3.000 ( -0.731 0.000 -2.165) 2.285 3.103 ( 4.622 0.000 -1.243) 4.786 3.262 ( 1.409 0.000 2.424) 2.804 3.324 ( 1.437 0.000 -6.405) 6.564 3.373 ( 2.944 0.000 0.731) 3.033 3.404 ( 0.643 0.000 -0.397) 0.756 3.472 ( -3.229 0.000 -2.069) 3.835 3.508 ( -0.405 0.000 -1.429) 1.485 3.551 ( 0.385 0.000 -1.517) 1.565 3.606 ( 0.084 0.000 -2.240) 2.241 3.765 ( 2.135 0.000 4.234) 4.742 3.786 ( -1.640 0.000 2.856) 3.294 3.868 ( 3.032 0.000 5.741) 6.492 3.956 ( 0.422 0.000 2.946) 2.976 4.177 ( -0.950 0.000 1.649) 1.903 4.408 ( 0.971 0.000 -0.651) 1.170 5.421 ( 0.279 0.000 -1.029) 1.066 5.561 ( 0.163 0.000 -0.052) 0.171 6.130 ( -0.583 0.000 0.649) 0.872 6.262 ( 0.233 0.000 -0.480) 0.533 6.511 ( -0.404 0.000 0.475) 0.623 6.562 ( 0.386 0.000 -0.354) 0.523 6.634 ( -0.096 0.000 -0.001) 0.096 6.673 ( 1.003 0.000 -1.661) 1.941 6.783 ( -2.473 0.000 3.094) 3.961 7.013 ( 0.672 0.000 -0.379) 0.771 7.144 ( -0.342 0.000 0.206) 0.400 7.150 ( -0.248 0.000 0.311) 0.398 ======================= Grid point 61 (25/126) ======================= q-point: (-0.40 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -3.341 0.000 2.481) 4.162 1.046 ( -6.758 0.000 -3.094) 7.432 1.217 ( -10.209 0.000 -5.704) 11.694 1.287 ( -4.649 0.000 1.558) 4.903 1.409 ( -2.469 0.000 -1.250) 2.768 1.429 ( -1.991 0.000 -1.841) 2.712 1.595 ( -4.410 0.000 -7.147) 8.398 1.622 ( -5.653 0.000 -4.660) 7.326 1.735 ( -2.122 0.000 -4.054) 4.576 1.823 ( 1.662 0.000 -3.576) 3.944 1.857 ( -2.772 0.000 -6.156) 6.751 1.952 ( -3.991 0.000 -3.829) 5.531 1.962 ( 2.695 0.000 -5.585) 6.201 2.086 ( -7.540 0.000 -0.592) 7.563 2.093 ( 5.562 0.000 0.550) 5.589 2.183 ( 0.758 0.000 -2.060) 2.195 2.326 ( -0.648 0.000 -3.744) 3.800 2.375 ( 4.506 0.000 2.464) 5.136 2.390 ( -3.986 0.000 -0.822) 4.070 2.440 ( -0.918 0.000 0.506) 1.048 2.488 ( -6.042 0.000 -3.543) 7.004 2.536 ( -0.416 0.000 2.922) 2.952 2.637 ( 0.133 0.000 -0.966) 0.975 2.694 ( -0.886 0.000 1.235) 1.520 2.779 ( 4.509 0.000 2.656) 5.233 2.960 ( -5.529 0.000 0.456) 5.548 2.990 ( -0.376 0.000 0.605) 0.713 3.164 ( 3.674 0.000 -2.584) 4.491 3.255 ( -0.551 0.000 -5.179) 5.208 3.288 ( -0.224 0.000 1.512) 1.529 3.377 ( -0.849 0.000 -1.104) 1.393 3.446 ( 1.317 0.000 0.745) 1.513 3.457 ( 1.901 0.000 0.465) 1.957 3.479 ( -0.611 0.000 0.164) 0.633 3.572 ( 4.321 0.000 -0.949) 4.424 3.599 ( 1.667 0.000 -0.751) 1.829 3.792 ( -1.588 0.000 2.169) 2.688 3.852 ( 4.728 0.000 0.334) 4.740 3.979 ( 2.441 0.000 4.784) 5.371 4.010 ( 1.371 0.000 4.019) 4.246 4.186 ( -0.225 0.000 1.555) 1.571 4.419 ( 1.356 0.000 -0.682) 1.518 5.411 ( 0.062 0.000 -0.891) 0.894 5.560 ( -0.022 0.000 -0.382) 0.382 6.129 ( -0.588 0.000 0.661) 0.884 6.259 ( 0.114 0.000 -0.469) 0.482 6.511 ( -0.245 0.000 0.383) 0.454 6.565 ( 0.401 0.000 -0.257) 0.476 6.631 ( -0.049 0.000 -0.216) 0.222 6.671 ( 1.116 0.000 -1.379) 1.774 6.780 ( -2.320 0.000 2.633) 3.509 7.023 ( 0.908 0.000 -0.061) 0.910 7.140 ( -0.451 0.000 0.132) 0.470 7.148 ( -0.427 0.000 0.312) 0.529 ======================= Grid point 62 (26/126) ======================= q-point: (-0.30 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -13.572 0.000 -4.227) 14.216 0.908 ( -13.977 0.000 -4.242) 14.606 1.105 ( -1.403 0.000 2.508) 2.874 1.202 ( -6.641 0.000 -1.869) 6.899 1.340 ( -6.618 0.000 -2.140) 6.956 1.383 ( 0.272 0.000 -2.056) 2.074 1.446 ( -4.021 0.000 -4.947) 6.376 1.521 ( -1.887 0.000 -2.899) 3.459 1.628 ( -9.697 0.000 -5.667) 11.232 1.693 ( -4.390 0.000 -8.795) 9.830 1.731 ( -4.126 0.000 -6.753) 7.914 1.817 ( -6.195 0.000 -0.272) 6.201 1.947 ( 3.605 0.000 -5.928) 6.938 1.994 ( -4.256 0.000 0.354) 4.271 2.132 ( -0.471 0.000 -3.141) 3.176 2.167 ( -4.969 0.000 -4.564) 6.747 2.191 ( 1.560 0.000 2.323) 2.798 2.373 ( 1.621 0.000 0.965) 1.887 2.392 ( -2.329 0.000 -0.405) 2.364 2.474 ( 2.412 0.000 -0.167) 2.418 2.501 ( -0.154 0.000 -0.508) 0.531 2.525 ( 3.297 0.000 -0.163) 3.301 2.672 ( 1.449 0.000 3.037) 3.365 2.715 ( 0.818 0.000 0.493) 0.955 2.862 ( -8.042 0.000 2.924) 8.557 2.863 ( 2.460 0.000 0.973) 2.645 3.022 ( 1.067 0.000 4.871) 4.986 3.124 ( -1.540 0.000 -4.740) 4.984 3.223 ( 1.777 0.000 -3.143) 3.611 3.284 ( -1.987 0.000 0.197) 1.997 3.369 ( -0.904 0.000 2.082) 2.270 3.413 ( -1.302 0.000 -2.072) 2.447 3.493 ( 1.721 0.000 -1.043) 2.013 3.507 ( 1.269 0.000 1.071) 1.661 3.643 ( 2.734 0.000 2.441) 3.665 3.656 ( 5.424 0.000 1.335) 5.586 3.787 ( -1.730 0.000 1.371) 2.207 3.901 ( 5.144 0.000 -4.941) 7.133 4.046 ( 0.863 0.000 2.553) 2.694 4.086 ( 3.434 0.000 1.657) 3.813 4.208 ( 0.607 0.000 1.356) 1.485 4.428 ( 1.318 0.000 -1.276) 1.835 5.403 ( -0.200 0.000 -0.323) 0.380 5.552 ( 0.012 0.000 -0.850) 0.850 6.128 ( -0.621 0.000 0.690) 0.928 6.255 ( 0.050 0.000 -0.378) 0.381 6.512 ( -0.135 0.000 0.271) 0.303 6.567 ( 0.251 0.000 -0.168) 0.302 6.627 ( 0.063 0.000 -0.472) 0.477 6.674 ( 1.087 0.000 -0.957) 1.448 6.776 ( -1.891 0.000 2.165) 2.874 7.038 ( 0.927 0.000 0.142) 0.938 7.134 ( -0.576 0.000 0.122) 0.588 7.144 ( -0.580 0.000 0.295) 0.651 ======================= Grid point 63 (27/126) ======================= q-point: (-0.20 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -17.511 0.000 -0.111) 17.511 0.602 ( -18.180 0.000 -4.414) 18.709 1.008 ( -21.930 0.000 -5.089) 22.513 1.090 ( -11.432 0.000 -2.277) 11.657 1.156 ( 1.944 0.000 3.898) 4.355 1.341 ( -6.051 0.000 1.010) 6.135 1.389 ( 2.661 0.000 -2.025) 3.344 1.440 ( -5.619 0.000 -1.984) 5.959 1.486 ( 0.883 0.000 -3.275) 3.392 1.570 ( -0.773 0.000 -1.484) 1.673 1.611 ( -2.664 0.000 -3.936) 4.753 1.794 ( -0.349 0.000 2.051) 2.080 1.921 ( 1.596 0.000 -5.403) 5.634 1.937 ( -2.981 0.000 0.073) 2.982 2.077 ( -1.306 0.000 -3.282) 3.532 2.089 ( -2.096 0.000 -2.306) 3.116 2.222 ( -0.521 0.000 1.545) 1.631 2.293 ( -7.142 0.000 -2.687) 7.631 2.426 ( 2.991 0.000 0.738) 3.081 2.499 ( 0.794 0.000 -0.610) 1.002 2.540 ( 5.154 0.000 2.328) 5.656 2.542 ( -0.335 0.000 -0.638) 0.721 2.717 ( -0.238 0.000 -0.867) 0.900 2.727 ( 0.387 0.000 2.227) 2.260 2.832 ( -1.074 0.000 4.396) 4.525 2.887 ( 1.235 0.000 -0.832) 1.489 3.059 ( -1.614 0.000 -1.521) 2.218 3.115 ( 2.002 0.000 4.808) 5.208 3.201 ( -0.494 0.000 -2.168) 2.224 3.238 ( -3.486 0.000 0.458) 3.516 3.377 ( 0.038 0.000 -2.133) 2.134 3.394 ( 0.025 0.000 2.436) 2.436 3.483 ( -0.029 0.000 -1.907) 1.907 3.538 ( 0.575 0.000 1.498) 1.605 3.697 ( -0.260 0.000 3.130) 3.140 3.754 ( 2.409 0.000 0.270) 2.424 3.782 ( 1.727 0.000 1.202) 2.104 3.888 ( 5.240 0.000 -11.629) 12.755 4.079 ( 0.759 0.000 1.371) 1.568 4.128 ( 2.811 0.000 -3.741) 4.680 4.227 ( 0.187 0.000 0.471) 0.507 4.426 ( 0.780 0.000 -1.729) 1.897 5.399 ( -0.410 0.000 0.473) 0.626 5.542 ( 0.262 0.000 -1.195) 1.223 6.127 ( -0.641 0.000 0.728) 0.970 6.252 ( 0.048 0.000 -0.282) 0.286 6.513 ( -0.104 0.000 0.208) 0.233 6.568 ( 0.048 0.000 -0.027) 0.056 6.622 ( 0.111 0.000 -0.618) 0.628 6.680 ( 0.912 0.000 -0.629) 1.108 6.774 ( -1.421 0.000 1.802) 2.295 7.052 ( 0.747 0.000 0.075) 0.751 7.126 ( -0.608 0.000 0.206) 0.642 7.138 ( -0.601 0.000 0.262) 0.656 ======================= Grid point 64 (28/126) ======================= q-point: (-0.10 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( -17.896 0.000 2.265) 18.039 0.323 ( -18.638 0.000 5.250) 19.363 0.602 ( -28.737 0.000 18.114) 33.970 1.012 ( -3.984 0.000 5.765) 7.007 1.214 ( 0.132 0.000 1.549) 1.554 1.275 ( -4.169 0.000 0.973) 4.281 1.373 ( -2.636 0.000 2.150) 3.402 1.417 ( 1.075 0.000 -2.315) 2.553 1.438 ( 2.001 0.000 -0.316) 2.026 1.563 ( -0.133 0.000 -0.970) 0.979 1.669 ( 6.759 0.000 4.561) 8.153 1.796 ( -1.502 0.000 0.231) 1.520 1.869 ( -1.102 0.000 -2.718) 2.933 1.933 ( 0.613 0.000 1.474) 1.597 2.015 ( -2.080 0.000 -3.245) 3.855 2.032 ( -2.223 0.000 -0.957) 2.420 2.169 ( -2.832 0.000 -1.994) 3.463 2.225 ( -1.349 0.000 1.371) 1.924 2.464 ( -4.327 0.000 1.871) 4.714 2.472 ( 3.056 0.000 -0.444) 3.088 2.565 ( 3.838 0.000 -2.703) 4.695 2.663 ( 2.072 0.000 2.811) 3.492 2.709 ( 2.873 0.000 0.970) 3.032 2.721 ( -1.952 0.000 0.433) 2.000 2.893 ( 1.765 0.000 -1.251) 2.163 2.908 ( 3.373 0.000 3.181) 4.637 3.026 ( -3.606 0.000 1.888) 4.071 3.135 ( -0.921 0.000 -2.299) 2.477 3.169 ( -0.568 0.000 -1.247) 1.371 3.243 ( 0.922 0.000 1.994) 2.197 3.394 ( -0.996 0.000 -1.774) 2.035 3.395 ( 3.370 0.000 2.758) 4.355 3.483 ( 0.934 0.000 1.631) 1.879 3.542 ( -0.921 0.000 -2.812) 2.959 3.682 ( -4.996 0.000 -5.621) 7.520 3.743 ( -0.859 0.000 -0.591) 1.043 3.750 ( -1.838 0.000 -7.562) 7.783 3.843 ( 2.810 0.000 -0.650) 2.884 4.090 ( -0.760 0.000 -2.001) 2.141 4.103 ( 0.614 0.000 0.589) 0.851 4.224 ( -0.341 0.000 -0.370) 0.503 4.418 ( 0.324 0.000 -0.537) 0.627 5.402 ( -0.461 0.000 1.127) 1.218 5.533 ( 0.637 0.000 -1.308) 1.455 6.126 ( -0.610 0.000 0.798) 1.005 6.250 ( 0.099 0.000 -0.213) 0.235 6.515 ( -0.113 0.000 0.332) 0.350 6.569 ( -0.065 0.000 0.141) 0.156 6.617 ( 0.066 0.000 -0.167) 0.179 6.686 ( 0.669 0.000 -0.498) 0.834 6.774 ( -1.209 0.000 1.605) 2.009 7.060 ( 0.346 0.000 -0.394) 0.524 7.121 ( -0.454 0.000 0.396) 0.602 7.133 ( -0.446 0.000 0.332) 0.556 ======================= Grid point 65 (29/126) ======================= q-point: ( 0.00 0.25 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -2.267 14.706 9.474) 17.639 0.545 ( -0.410 11.794 14.558) 18.741 0.895 ( 3.011 15.722 23.074) 28.083 0.978 ( -2.662 -4.614 9.867) 11.213 1.122 ( -2.862 -10.474 1.489) 10.959 1.282 ( 0.118 2.225 -1.116) 2.492 1.332 ( 0.797 0.884 2.026) 2.350 1.422 ( -0.167 2.429 -0.776) 2.555 1.507 ( 3.095 -0.963 4.794) 5.787 1.636 ( 2.493 2.083 3.458) 4.744 1.725 ( -2.674 -5.332 1.008) 6.050 1.785 ( 1.081 -1.995 1.827) 2.913 1.898 ( 3.480 -1.818 0.757) 3.998 1.922 ( 0.562 -0.463 1.184) 1.390 1.935 ( 1.039 -1.202 3.334) 3.693 2.045 ( 1.434 1.480 2.481) 3.225 2.167 ( 1.943 -2.592 2.242) 3.939 2.191 ( 1.522 -0.644 -1.760) 2.414 2.374 ( -1.051 -4.005 0.257) 4.148 2.471 ( 1.317 -4.155 -5.179) 6.769 2.544 ( -0.944 1.894 -0.252) 2.131 2.665 ( -4.380 1.119 1.450) 4.748 2.727 ( -0.192 1.652 -0.827) 1.857 2.779 ( 0.029 1.536 0.109) 1.540 2.857 ( -3.066 -2.938 -0.817) 4.324 2.940 ( -0.285 -1.748 -1.108) 2.089 3.029 ( 1.875 -0.662 2.789) 3.425 3.078 ( -0.690 -0.524 -0.287) 0.913 3.155 ( -0.750 0.920 -1.761) 2.124 3.217 ( -0.958 -0.348 -2.455) 2.658 3.353 ( 0.997 0.044 -1.096) 1.482 3.399 ( -2.440 1.956 -1.312) 3.391 3.495 ( 1.146 0.760 2.425) 2.787 3.603 ( 3.502 0.684 1.143) 3.747 3.663 ( 5.324 -3.222 1.671) 6.443 3.702 ( -0.793 -0.592 -0.088) 0.994 3.736 ( -0.756 0.806 -0.157) 1.117 3.836 ( -0.229 -0.788 -2.658) 2.782 4.062 ( 1.247 -1.986 -1.996) 3.080 4.096 ( -1.163 -0.452 -0.478) 1.337 4.235 ( 0.059 1.143 -0.697) 1.340 4.426 ( 1.509 -0.350 -0.322) 1.583 5.406 ( -0.562 -0.022 1.283) 1.401 5.529 ( 0.993 -0.166 -1.247) 1.603 6.130 ( -0.509 0.162 0.596) 0.801 6.245 ( 0.178 -0.414 -0.064) 0.455 6.510 ( -0.121 -0.475 0.533) 0.724 6.580 ( 0.048 0.672 0.101) 0.681 6.626 ( 0.236 0.500 0.041) 0.554 6.680 ( 0.367 -0.825 -0.477) 1.021 6.778 ( -1.273 0.238 1.497) 1.980 7.049 ( -0.065 -0.422 -0.308) 0.527 7.126 ( -0.079 0.049 0.283) 0.298 7.131 ( -0.244 -0.213 0.528) 0.620 ======================= Grid point 66 (30/126) ======================= q-point: ( 0.10 0.25 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 7.205 7.301 11.522) 15.426 0.773 ( 5.368 6.941 14.821) 17.224 1.032 ( -2.293 -5.418 1.774) 6.145 1.110 ( 1.834 -4.683 4.753) 6.920 1.236 ( 4.296 3.056 7.015) 8.776 1.322 ( 2.816 5.875 8.635) 10.817 1.408 ( 6.073 3.053 7.213) 9.911 1.450 ( 2.644 2.263 1.924) 3.977 1.586 ( 0.450 0.316 2.417) 2.479 1.713 ( -1.045 -1.737 5.505) 5.866 1.739 ( 4.357 0.209 4.726) 6.431 1.870 ( 0.734 -1.551 4.457) 4.776 1.898 ( 2.554 3.681 3.515) 5.694 1.979 ( 3.157 -2.203 -0.208) 3.855 2.046 ( 5.319 -1.977 2.214) 6.092 2.108 ( 2.556 -0.805 1.311) 2.983 2.187 ( -0.200 -1.294 0.310) 1.346 2.284 ( 5.543 -4.450 2.917) 7.683 2.370 ( 0.099 -2.740 2.307) 3.583 2.417 ( -0.046 -3.750 -3.339) 5.021 2.527 ( 0.469 0.729 -0.733) 1.135 2.612 ( -4.754 0.976 1.672) 5.133 2.691 ( -4.129 -0.011 -0.246) 4.137 2.729 ( -2.146 -0.005 -1.982) 2.921 2.839 ( -3.377 1.456 -0.360) 3.695 2.885 ( 0.135 1.409 -1.717) 2.225 3.022 ( -4.187 -1.230 -3.059) 5.330 3.095 ( 2.091 -3.126 1.063) 3.908 3.151 ( 2.608 -0.298 1.449) 2.998 3.213 ( 2.999 0.505 -2.268) 3.793 3.348 ( -2.048 0.333 0.203) 2.085 3.408 ( 3.364 1.300 0.326) 3.622 3.527 ( 0.266 2.223 1.106) 2.497 3.622 ( -0.152 3.423 0.181) 3.431 3.661 ( -2.634 -0.946 0.054) 2.799 3.719 ( 0.247 0.577 -2.461) 2.540 3.767 ( -0.584 -2.326 -0.599) 2.472 3.797 ( 4.682 -4.838 -3.771) 7.717 4.045 ( 1.078 -2.934 -4.687) 5.634 4.062 ( -1.727 -0.112 -1.273) 2.148 4.221 ( -0.706 0.753 -1.121) 1.524 4.443 ( 1.383 -0.683 -1.121) 1.907 5.413 ( -0.399 -0.082 1.165) 1.234 5.533 ( 1.184 -0.113 -1.038) 1.579 6.130 ( -0.544 0.030 0.712) 0.896 6.248 ( 0.293 -0.337 -0.045) 0.449 6.515 ( -0.173 -0.252 0.581) 0.656 6.581 ( 0.019 0.780 0.006) 0.780 6.631 ( 0.295 0.249 -0.044) 0.389 6.679 ( 0.294 -0.916 -0.569) 1.117 6.776 ( -1.521 0.183 1.812) 2.373 7.041 ( -0.229 -0.303 -0.570) 0.684 7.131 ( -0.050 0.050 0.632) 0.636 7.135 ( -0.110 -0.144 0.605) 0.632 ======================= Grid point 67 (31/126) ======================= q-point: ( 0.20 0.25 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 5.073 2.092 7.395) 9.208 0.995 ( 3.713 2.550 9.742) 10.733 1.072 ( 4.349 0.850 5.548) 7.101 1.211 ( 3.144 -0.303 2.597) 4.089 1.300 ( 2.935 -0.488 2.731) 4.038 1.426 ( 4.009 -2.190 4.449) 6.376 1.506 ( 2.073 3.722 2.732) 5.061 1.566 ( 1.699 0.551 1.926) 2.627 1.717 ( 1.402 -1.448 4.250) 4.703 1.795 ( 8.207 3.402 5.353) 10.373 1.860 ( 2.797 -1.262 3.728) 4.829 1.940 ( 3.010 1.970 3.324) 4.898 1.995 ( 0.120 0.065 4.160) 4.162 2.046 ( 3.967 2.648 3.586) 5.967 2.128 ( 3.678 -3.191 2.115) 5.309 2.154 ( 3.258 -1.441 -0.477) 3.594 2.198 ( 1.986 -0.810 0.716) 2.262 2.336 ( 1.332 -4.266 -2.033) 4.910 2.388 ( 1.620 -0.508 3.916) 4.268 2.453 ( -0.154 -0.825 2.372) 2.516 2.540 ( -4.766 -0.805 1.318) 5.010 2.586 ( 0.792 0.251 1.067) 1.353 2.629 ( -0.612 0.729 -1.464) 1.746 2.709 ( 0.039 -1.680 2.339) 2.880 2.747 ( -2.827 4.080 -2.400) 5.513 2.855 ( -2.201 2.186 -4.516) 5.479 2.958 ( -0.677 -3.423 1.352) 3.742 3.139 ( 4.538 -1.368 -1.283) 4.910 3.199 ( -0.111 -0.793 -1.288) 1.517 3.246 ( 4.766 -3.103 0.215) 5.692 3.331 ( -0.068 -0.447 -0.178) 0.486 3.444 ( 0.166 2.382 0.436) 2.427 3.535 ( -0.486 2.968 -0.262) 3.019 3.573 ( -3.364 2.596 -1.817) 4.622 3.654 ( -0.169 0.849 0.552) 1.027 3.671 ( -0.857 -0.497 -2.363) 2.562 3.745 ( -0.989 0.074 0.768) 1.254 3.826 ( 2.499 -4.902 -2.535) 6.058 3.977 ( -1.385 -1.955 -6.172) 6.620 4.012 ( -2.259 0.366 -2.393) 3.311 4.189 ( -1.611 -0.098 -0.797) 1.799 4.439 ( 0.457 -0.256 -1.560) 1.646 5.421 ( -0.069 -0.082 0.646) 0.655 5.540 ( 1.150 -0.051 -0.756) 1.378 6.130 ( -0.556 -0.065 0.769) 0.951 6.252 ( 0.370 -0.302 -0.102) 0.488 6.518 ( -0.374 0.005 0.555) 0.669 6.580 ( -0.023 0.871 -0.191) 0.892 6.634 ( 0.277 0.254 -0.106) 0.391 6.676 ( 0.408 -1.023 -0.753) 1.334 6.775 ( -1.814 0.122 2.409) 3.018 7.030 ( -0.174 -0.144 -0.737) 0.771 7.138 ( -0.134 -0.000 0.718) 0.731 7.141 ( 0.001 -0.039 0.533) 0.534 ======================= Grid point 68 (32/126) ======================= q-point: ( 0.30 0.25 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.165 0.188 4.658) 4.665 1.106 ( -0.908 1.221 3.098) 3.451 1.217 ( 6.368 1.260 4.819) 8.085 1.300 ( 4.159 -2.759 3.096) 5.873 1.397 ( 3.596 4.398 3.659) 6.757 1.538 ( 1.466 0.260 3.972) 4.242 1.602 ( 6.330 -0.604 3.463) 7.241 1.652 ( 6.265 1.139 3.548) 7.289 1.734 ( 0.813 -1.112 -1.377) 1.948 1.863 ( -1.715 -2.929 -2.333) 4.119 1.908 ( 2.121 -2.862 0.817) 3.655 1.990 ( 0.376 1.536 1.725) 2.340 2.038 ( 0.866 1.570 0.511) 1.865 2.147 ( 0.327 -0.635 3.006) 3.090 2.159 ( -0.175 1.213 2.057) 2.395 2.217 ( 4.086 -0.965 -0.743) 4.264 2.303 ( 6.489 -0.695 -0.124) 6.527 2.341 ( -0.783 -2.712 2.349) 3.672 2.418 ( -1.323 0.743 -2.069) 2.565 2.456 ( -3.211 1.480 1.154) 3.720 2.507 ( -0.269 0.637 0.761) 1.029 2.566 ( -1.788 2.374 0.649) 3.042 2.637 ( 3.789 0.580 3.219) 5.005 2.694 ( 1.204 2.010 -1.854) 2.988 2.748 ( -1.769 2.127 -1.211) 3.020 2.858 ( 6.540 -0.539 1.752) 6.792 2.993 ( 0.627 -3.898 3.477) 5.261 3.136 ( -1.306 -2.967 -4.698) 5.708 3.211 ( 4.908 -1.564 -0.693) 5.198 3.318 ( 3.473 -2.866 -1.364) 4.705 3.336 ( 2.159 1.407 -1.169) 2.830 3.406 ( -3.457 2.723 -2.557) 5.090 3.494 ( -1.487 0.296 1.822) 2.371 3.556 ( -0.340 2.382 0.464) 2.450 3.623 ( -1.260 -1.623 -1.197) 2.378 3.675 ( -0.144 1.978 0.603) 2.073 3.748 ( -0.448 0.591 1.416) 1.599 3.798 ( -2.555 -1.805 -3.467) 4.670 3.885 ( -1.889 -1.415 -3.020) 3.833 3.938 ( -2.513 0.506 -2.745) 3.755 4.161 ( -1.670 -1.225 0.358) 2.102 4.427 ( 0.343 0.399 -1.324) 1.425 5.426 ( 0.226 -0.048 -0.051) 0.236 5.549 ( 0.898 -0.003 -0.408) 0.986 6.131 ( -0.573 -0.088 0.752) 0.949 6.256 ( 0.384 -0.320 -0.214) 0.544 6.517 ( -0.504 0.166 0.530) 0.750 6.577 ( 0.026 0.953 -0.345) 1.014 6.636 ( 0.161 0.288 -0.112) 0.348 6.673 ( 0.639 -1.035 -1.121) 1.654 6.777 ( -2.120 0.039 2.995) 3.669 7.020 ( 0.053 0.069 -0.748) 0.753 7.143 ( -0.233 -0.035 0.562) 0.609 7.147 ( -0.019 0.034 0.428) 0.430 ======================= Grid point 69 (33/126) ======================= q-point: ( 0.40 0.25 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -2.130 -0.395 2.263) 3.132 1.110 ( -1.539 -1.378 2.182) 3.004 1.333 ( 1.978 -1.652 2.418) 3.533 1.380 ( 3.061 0.005 0.763) 3.155 1.466 ( 0.520 2.135 0.816) 2.344 1.601 ( 3.307 0.850 3.735) 5.061 1.680 ( -2.672 -2.205 -3.916) 5.228 1.726 ( 1.216 -0.948 0.813) 1.743 1.791 ( 1.960 2.918 1.783) 3.942 1.828 ( 5.670 0.585 -0.121) 5.701 1.925 ( 0.932 -1.692 -2.977) 3.549 1.994 ( -1.180 0.648 0.041) 1.347 2.062 ( 2.063 0.564 1.066) 2.390 2.125 ( -2.678 -0.959 -2.225) 3.612 2.174 ( -0.675 0.016 0.871) 1.102 2.248 ( -1.244 -0.372 -1.450) 1.946 2.288 ( -0.876 0.585 -0.593) 1.209 2.331 ( -2.213 1.974 -0.621) 3.030 2.378 ( -1.226 -1.118 -0.151) 1.667 2.424 ( 0.510 0.765 0.792) 1.214 2.543 ( -1.056 0.916 1.998) 2.439 2.587 ( 5.205 -1.330 -0.884) 5.445 2.644 ( -1.532 1.104 -2.979) 3.527 2.735 ( 2.298 2.866 -1.632) 4.020 2.803 ( 5.309 -0.223 3.464) 6.343 2.970 ( 5.402 3.572 0.870) 6.535 3.006 ( -3.153 -4.208 -1.884) 5.585 3.107 ( 2.616 -2.020 2.126) 3.930 3.225 ( -1.344 0.980 -5.166) 5.428 3.303 ( 4.325 -1.973 -3.003) 5.623 3.363 ( 1.054 -0.082 -1.853) 2.133 3.379 ( 1.993 -0.503 0.005) 2.056 3.511 ( -1.450 -0.188 1.579) 2.152 3.544 ( -1.123 0.497 -1.081) 1.636 3.583 ( -2.224 -1.420 -1.545) 3.058 3.649 ( -2.129 1.193 -1.490) 2.859 3.722 ( -0.606 0.177 0.036) 0.633 3.776 ( -0.030 0.616 2.562) 2.635 3.832 ( -2.786 1.554 1.706) 3.618 3.917 ( 0.433 -0.923 1.156) 1.542 4.147 ( -1.348 -1.990 1.245) 2.707 4.421 ( 0.597 0.960 -0.888) 1.438 5.426 ( 0.336 -0.019 -0.676) 0.755 5.557 ( 0.538 0.019 -0.118) 0.551 6.131 ( -0.581 -0.073 0.699) 0.912 6.258 ( 0.322 -0.344 -0.345) 0.584 6.516 ( -0.499 0.247 0.503) 0.750 6.574 ( 0.171 1.007 -0.347) 1.079 6.637 ( 0.055 0.254 -0.096) 0.277 6.669 ( 0.850 -0.900 -1.450) 1.907 6.780 ( -2.370 -0.074 3.211) 3.992 7.015 ( 0.343 0.226 -0.624) 0.747 7.144 ( -0.308 -0.067 0.355) 0.475 7.150 ( -0.120 0.065 0.345) 0.371 ======================= Grid point 70 (34/126) ======================= q-point: (-0.50 0.25 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -2.040 -1.499 1.021) 2.729 1.110 ( -2.129 -3.297 2.170) 4.485 1.327 ( -3.624 0.137 -1.174) 3.812 1.391 ( -2.441 -0.696 -1.529) 2.963 1.462 ( 0.718 0.830 -0.489) 1.201 1.524 ( -6.359 1.846 -5.176) 8.404 1.668 ( -3.920 -0.605 -4.219) 5.790 1.730 ( 3.288 -2.441 1.575) 4.388 1.816 ( 1.945 1.994 -2.405) 3.680 1.847 ( -4.525 0.339 -0.554) 4.571 1.886 ( -0.686 -1.226 -3.227) 3.520 1.978 ( 0.157 0.994 -2.354) 2.560 2.051 ( -1.274 -0.167 -3.027) 3.288 2.098 ( 0.744 0.977 -2.094) 2.428 2.153 ( 1.212 0.620 -2.534) 2.877 2.198 ( -1.284 2.250 0.561) 2.651 2.301 ( 1.694 0.665 -0.021) 1.819 2.336 ( 0.777 -1.027 2.487) 2.800 2.402 ( 1.401 0.674 1.357) 2.064 2.438 ( -0.414 -0.062 0.370) 0.558 2.534 ( -2.213 0.898 -0.208) 2.397 2.581 ( -1.376 -0.753 -1.025) 1.874 2.639 ( 4.444 -1.513 -0.938) 4.788 2.744 ( -0.300 4.384 -1.450) 4.628 2.834 ( -6.065 0.662 -2.436) 6.570 2.935 ( 0.984 -3.500 -1.525) 3.942 3.015 ( -0.872 0.592 -0.844) 1.350 3.102 ( 0.773 -0.911 -2.036) 2.361 3.252 ( 3.526 -0.169 2.312) 4.220 3.323 ( 2.875 0.148 -4.379) 5.240 3.366 ( 1.740 -0.573 -0.039) 1.832 3.398 ( 0.992 -1.090 -0.791) 1.673 3.466 ( -2.137 -0.195 -1.789) 2.794 3.503 ( -0.800 -0.628 -1.636) 1.926 3.545 ( -0.107 -0.131 -1.372) 1.382 3.617 ( 0.673 0.794 -2.073) 2.320 3.749 ( 0.491 -0.533 3.210) 3.290 3.812 ( -0.267 0.803 3.425) 3.528 3.877 ( 1.946 1.368 5.523) 6.013 3.952 ( 0.382 -0.512 3.532) 3.589 4.150 ( -0.596 -2.022 1.713) 2.716 4.423 ( 0.800 1.110 -0.606) 1.496 5.420 ( 0.247 -0.016 -0.994) 1.025 5.561 ( 0.195 0.019 -0.104) 0.222 6.130 ( -0.570 -0.044 0.670) 0.881 6.258 ( 0.206 -0.342 -0.430) 0.587 6.514 ( -0.408 0.258 0.452) 0.661 6.574 ( 0.300 1.009 -0.258) 1.084 6.636 ( 0.054 0.244 -0.183) 0.309 6.666 ( 0.961 -0.742 -1.480) 1.914 6.781 ( -2.438 -0.150 3.028) 3.891 7.016 ( 0.600 0.218 -0.399) 0.753 7.142 ( -0.380 -0.115 0.195) 0.442 7.151 ( -0.268 0.051 0.299) 0.405 ======================= Grid point 71 (35/126) ======================= q-point: (-0.40 0.25 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -3.695 -2.002 0.375) 4.219 1.076 ( -5.352 -1.912 -0.808) 5.741 1.195 ( -7.965 0.010 -3.640) 8.757 1.296 ( -5.631 -3.793 -3.043) 7.441 1.383 ( -4.157 5.299 -3.676) 7.673 1.457 ( -1.619 -1.136 -1.640) 2.569 1.548 ( -3.473 -0.664 -4.362) 5.616 1.681 ( -5.291 2.513 -3.700) 6.928 1.740 ( -4.186 -0.190 -3.632) 5.546 1.818 ( 0.401 -0.964 -3.604) 3.752 1.848 ( 0.311 0.117 -3.545) 3.561 1.931 ( -0.956 -1.073 -3.962) 4.215 2.016 ( -1.122 1.033 -2.988) 3.355 2.056 ( 1.776 -0.261 -3.441) 3.881 2.135 ( -1.357 1.023 0.304) 1.727 2.189 ( -1.704 2.230 -2.293) 3.624 2.300 ( -3.459 -2.405 -3.285) 5.343 2.355 ( -2.186 -1.837 1.003) 3.026 2.395 ( -1.002 2.407 -2.051) 3.317 2.459 ( 1.556 2.823 1.089) 3.403 2.485 ( 0.043 0.422 -0.197) 0.467 2.589 ( -1.738 0.855 2.635) 3.270 2.646 ( -3.379 0.420 -4.638) 5.754 2.698 ( -0.630 -0.345 2.671) 2.766 2.757 ( 3.257 -0.393 1.502) 3.608 2.946 ( -1.239 -1.393 1.173) 2.203 2.974 ( -3.392 -0.952 0.660) 3.585 3.115 ( 2.849 -3.826 -2.637) 5.450 3.259 ( -1.157 1.117 -2.970) 3.378 3.308 ( 0.086 1.059 -1.151) 1.567 3.374 ( 0.121 -0.919 -0.834) 1.247 3.408 ( -0.833 -2.379 0.094) 2.523 3.472 ( 4.116 1.587 0.582) 4.450 3.498 ( 0.641 0.878 0.420) 1.166 3.564 ( 4.666 -0.576 -0.712) 4.755 3.617 ( 2.357 1.045 -2.009) 3.269 3.785 ( -0.649 -0.290 2.427) 2.529 3.846 ( 0.599 -0.675 1.481) 1.735 3.975 ( 2.422 -0.125 4.313) 4.948 4.010 ( 0.981 -0.147 4.234) 4.349 4.171 ( 0.543 -1.144 1.903) 2.286 4.429 ( 0.907 0.781 -0.708) 1.391 5.411 ( 0.037 -0.019 -0.858) 0.859 5.560 ( -0.018 -0.007 -0.425) 0.426 6.129 ( -0.557 0.001 0.690) 0.887 6.255 ( 0.084 -0.331 -0.430) 0.549 6.514 ( -0.313 0.206 0.370) 0.527 6.576 ( 0.306 0.948 -0.202) 1.017 6.634 ( 0.097 0.282 -0.393) 0.493 6.664 ( 0.969 -0.680 -1.164) 1.660 6.778 ( -2.207 -0.097 2.625) 3.431 7.023 ( 0.750 0.033 -0.135) 0.763 7.137 ( -0.455 -0.166 0.107) 0.496 7.149 ( -0.459 -0.002 0.276) 0.535 ======================= Grid point 72 (36/126) ======================= q-point: (-0.30 0.25 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -11.994 1.462 -4.960) 13.061 0.905 ( -11.078 1.194 -3.005) 11.540 1.062 ( -4.957 -3.283 -0.874) 6.010 1.192 ( -4.692 -6.511 -2.803) 8.501 1.299 ( -2.252 4.483 -1.092) 5.134 1.377 ( -3.668 -5.837 -3.537) 7.748 1.472 ( -1.632 3.558 -2.101) 4.443 1.569 ( -5.037 6.277 -2.524) 8.435 1.634 ( -5.664 -1.204 -4.261) 7.189 1.712 ( -2.431 0.140 -6.908) 7.324 1.779 ( -2.620 3.315 -6.364) 7.639 1.836 ( -9.458 3.920 -3.739) 10.899 1.945 ( -0.242 -1.113 -2.500) 2.747 2.040 ( -3.181 4.105 -1.903) 5.531 2.089 ( -0.446 -3.772 -3.080) 4.890 2.135 ( -0.939 -2.923 -2.258) 3.811 2.173 ( -2.633 -0.930 0.669) 2.872 2.323 ( -1.303 -3.960 0.065) 4.169 2.386 ( -2.067 0.151 -0.663) 2.176 2.476 ( -0.376 -1.144 -0.967) 1.545 2.501 ( 1.805 0.472 -1.648) 2.489 2.552 ( 0.843 1.307 0.362) 1.596 2.671 ( 2.082 0.664 3.350) 4.000 2.715 ( -1.063 -1.291 1.766) 2.432 2.826 ( 0.591 0.587 2.440) 2.579 2.916 ( -2.821 2.453 2.280) 4.379 2.983 ( 1.075 -2.790 3.251) 4.417 3.107 ( 0.873 -2.629 -3.792) 4.696 3.213 ( -0.694 0.634 -1.669) 1.915 3.296 ( -0.585 -0.007 -0.880) 1.057 3.341 ( -2.710 -2.994 1.615) 4.349 3.403 ( 0.478 0.255 -1.922) 1.997 3.503 ( 2.266 2.201 -1.935) 3.705 3.558 ( 2.949 2.310 1.207) 3.936 3.630 ( 3.265 -0.313 0.639) 3.342 3.663 ( 4.861 -0.605 0.957) 4.991 3.787 ( -1.690 0.086 1.247) 2.102 3.852 ( 0.509 -3.209 -2.097) 3.867 4.041 ( 1.192 -0.493 2.188) 2.540 4.073 ( 1.693 -0.958 2.313) 3.022 4.208 ( 1.258 -0.042 1.594) 2.031 4.431 ( 0.837 0.258 -1.256) 1.531 5.403 ( -0.192 0.008 -0.301) 0.357 5.551 ( -0.011 -0.063 -0.875) 0.878 6.129 ( -0.544 0.089 0.724) 0.910 6.251 ( -0.001 -0.358 -0.366) 0.512 6.513 ( -0.303 0.065 0.245) 0.395 6.578 ( 0.219 0.844 -0.166) 0.888 6.630 ( 0.101 0.303 -0.524) 0.613 6.668 ( 0.912 -0.665 -0.747) 1.353 6.777 ( -1.736 0.071 2.175) 2.784 7.034 ( 0.720 -0.259 0.039) 0.766 7.131 ( -0.476 -0.159 0.105) 0.513 7.144 ( -0.622 -0.075 0.257) 0.677 ======================= Grid point 73 (37/126) ======================= q-point: (-0.20 0.25 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -14.011 4.873 -3.045) 15.143 0.674 ( -14.907 6.598 -0.350) 16.306 0.979 ( -6.199 -7.968 -0.897) 10.135 1.120 ( -2.342 -6.873 1.077) 7.340 1.206 ( -14.991 10.568 -2.462) 18.506 1.314 ( -1.282 -0.408 -0.531) 1.446 1.349 ( -6.375 3.650 -1.826) 7.570 1.464 ( -1.420 1.997 -2.588) 3.564 1.523 ( -3.531 0.143 -2.293) 4.213 1.581 ( -2.847 2.790 -2.612) 4.765 1.677 ( -1.637 1.780 -1.958) 3.112 1.757 ( 1.401 -0.882 -1.672) 2.353 1.917 ( -0.120 -2.300 -2.212) 3.193 1.947 ( -4.969 1.482 -1.892) 5.520 2.071 ( -2.919 -2.489 -2.125) 4.385 2.085 ( 0.061 0.077 -1.804) 1.807 2.167 ( -1.319 -4.070 0.987) 4.391 2.267 ( -6.277 -2.511 -2.221) 7.116 2.346 ( 1.671 -5.554 0.675) 5.839 2.472 ( 3.281 -1.244 -3.161) 4.722 2.550 ( -1.961 0.985 2.808) 3.564 2.580 ( 5.678 1.745 1.194) 6.059 2.700 ( -1.805 -0.010 1.290) 2.219 2.749 ( 2.622 1.326 1.954) 3.529 2.849 ( -1.174 1.787 2.164) 3.042 2.920 ( -0.366 1.649 1.864) 2.515 3.025 ( 0.832 -1.546 0.001) 1.756 3.077 ( -1.387 -4.548 -1.049) 4.869 3.198 ( 0.088 1.430 0.560) 1.538 3.267 ( -1.203 0.002 -0.245) 1.228 3.357 ( 0.682 -0.942 1.238) 1.698 3.385 ( 0.610 -0.706 -0.434) 1.029 3.493 ( -0.318 2.345 -2.346) 3.332 3.595 ( 1.838 2.623 -0.912) 3.330 3.678 ( -0.246 -1.480 2.179) 2.646 3.735 ( 2.020 -2.779 -1.919) 3.935 3.781 ( 1.389 -0.409 0.703) 1.609 3.809 ( -0.695 -2.966 -3.975) 5.008 4.073 ( 0.669 -0.451 0.942) 1.240 4.103 ( 0.518 -1.518 -0.196) 1.616 4.236 ( 0.693 0.562 0.457) 1.002 4.424 ( 0.469 -0.092 -1.560) 1.631 5.399 ( -0.373 0.058 0.416) 0.561 5.540 ( 0.243 -0.131 -1.199) 1.231 6.130 ( -0.500 0.206 0.712) 0.894 6.247 ( -0.013 -0.422 -0.269) 0.501 6.510 ( -0.348 -0.196 0.177) 0.437 6.579 ( 0.091 0.727 -0.097) 0.740 6.625 ( 0.100 0.439 -0.408) 0.607 6.673 ( 0.771 -0.684 -0.492) 1.142 6.777 ( -1.300 0.225 1.791) 2.225 7.045 ( 0.511 -0.534 0.040) 0.740 7.126 ( -0.331 -0.059 0.169) 0.377 7.137 ( -0.651 -0.144 0.246) 0.710 ======================= Grid point 74 (38/126) ======================= q-point: (-0.10 0.25 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -5.206 15.117 6.872) 17.403 0.507 ( -12.837 10.195 10.146) 19.279 0.845 ( -18.895 13.745 5.668) 24.043 0.936 ( -6.641 -0.343 6.501) 9.299 1.133 ( -2.533 -12.475 2.419) 12.957 1.301 ( 1.056 2.723 -1.740) 3.400 1.316 ( -1.220 1.320 1.140) 2.129 1.432 ( 1.173 0.464 -0.612) 1.402 1.467 ( -2.851 1.766 0.063) 3.355 1.568 ( 2.013 1.932 0.336) 2.810 1.696 ( 3.001 -1.888 1.743) 3.951 1.784 ( 1.913 -3.880 1.450) 4.562 1.843 ( -1.925 -1.315 -3.856) 4.506 1.915 ( -1.254 -2.157 2.054) 3.231 1.972 ( -5.066 -3.404 -1.404) 6.263 2.052 ( -2.296 2.666 -0.892) 3.630 2.151 ( -1.655 -1.720 0.977) 2.580 2.197 ( 0.196 -0.827 -1.867) 2.051 2.376 ( 0.426 -5.546 0.606) 5.596 2.484 ( 3.670 -2.616 -3.959) 5.999 2.550 ( -1.606 1.432 2.179) 3.063 2.692 ( 0.289 1.760 3.151) 3.621 2.702 ( 3.978 1.406 -0.625) 4.265 2.766 ( -0.571 3.164 -0.577) 3.266 2.870 ( 0.779 -2.568 2.932) 3.975 2.944 ( 0.227 -0.640 -0.107) 0.688 2.997 ( -2.215 -0.898 0.277) 2.406 3.071 ( 1.413 -2.570 0.615) 2.997 3.187 ( -0.638 1.650 -2.122) 2.763 3.257 ( 0.001 -0.819 -1.932) 2.098 3.386 ( 0.708 -0.816 1.580) 1.914 3.422 ( 0.482 -0.060 2.183) 2.237 3.462 ( 1.085 1.122 -0.681) 1.703 3.557 ( -2.259 -1.269 -6.691) 7.175 3.643 ( -3.201 0.619 1.443) 3.566 3.717 ( -0.799 -1.414 0.039) 1.625 3.755 ( -1.581 0.835 -0.172) 1.797 3.838 ( 2.690 -0.745 -0.715) 2.881 4.073 ( -0.233 -0.967 -1.258) 1.604 4.104 ( -0.128 -0.416 0.513) 0.673 4.241 ( 0.059 1.016 -0.385) 1.089 4.416 ( 0.528 -0.086 -0.736) 0.910 5.401 ( -0.503 0.053 0.983) 1.106 5.532 ( 0.648 -0.179 -1.319) 1.480 6.131 ( -0.450 0.238 0.610) 0.795 6.244 ( 0.057 -0.456 -0.156) 0.486 6.508 ( -0.280 -0.434 0.334) 0.615 6.579 ( -0.003 0.635 0.012) 0.635 6.624 ( 0.115 0.681 -0.095) 0.697 6.678 ( 0.564 -0.747 -0.418) 1.026 6.778 ( -1.139 0.267 1.526) 1.923 7.050 ( 0.228 -0.579 -0.085) 0.628 7.125 ( -0.087 -0.007 0.144) 0.169 7.131 ( -0.497 -0.181 0.325) 0.621 ======================= Grid point 75 (39/126) ======================= q-point: ( 0.00 -0.50 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -5.724 -0.000 11.677) 13.005 0.758 ( -1.848 0.000 10.679) 10.838 0.836 ( -1.514 -0.000 9.416) 9.537 0.864 ( -0.444 0.000 7.450) 7.463 1.256 ( 1.054 -0.000 -0.509) 1.171 1.312 ( 2.490 0.000 10.061) 10.364 1.371 ( 2.616 0.000 2.035) 3.314 1.411 ( 1.386 -0.000 -0.122) 1.391 1.524 ( -1.359 -0.000 4.136) 4.354 1.571 ( -2.225 0.000 4.217) 4.767 1.628 ( 2.725 0.000 2.458) 3.670 1.782 ( 1.851 0.000 4.039) 4.443 1.797 ( 3.230 -0.000 0.457) 3.262 1.934 ( 0.979 -0.000 3.747) 3.873 1.937 ( 2.543 0.000 3.462) 4.295 2.111 ( -1.208 0.000 -0.089) 1.211 2.129 ( -0.006 -0.000 -0.295) 0.295 2.185 ( 1.296 -0.000 -0.607) 1.432 2.313 ( 1.284 -0.000 -0.813) 1.520 2.432 ( 1.627 -0.000 -5.882) 6.103 2.555 ( -3.104 0.000 2.364) 3.901 2.709 ( -4.908 -0.000 0.893) 4.988 2.753 ( -4.529 0.000 -1.583) 4.798 2.760 ( 0.795 -0.000 -1.841) 2.005 2.856 ( 0.842 -0.000 2.994) 3.111 2.874 ( 2.913 0.000 -0.869) 3.040 3.033 ( -1.413 0.000 2.688) 3.037 3.073 ( 0.993 -0.000 -2.121) 2.343 3.165 ( -2.567 0.000 -3.005) 3.952 3.210 ( 1.361 -0.000 -1.414) 1.963 3.350 ( 2.627 0.000 -0.615) 2.698 3.413 ( -3.881 -0.000 -0.030) 3.881 3.539 ( 4.505 0.000 1.344) 4.702 3.567 ( 5.040 -0.000 0.700) 5.088 3.648 ( -3.152 0.000 2.784) 4.205 3.700 ( 1.305 -0.000 -1.819) 2.239 3.748 ( -1.511 -0.000 0.810) 1.714 3.824 ( -0.704 -0.000 -2.486) 2.584 4.041 ( 0.427 0.000 -2.375) 2.413 4.089 ( -1.245 -0.000 -0.094) 1.249 4.249 ( -0.171 0.000 -0.592) 0.616 4.423 ( 1.290 -0.000 -0.501) 1.384 5.407 ( -0.482 0.000 1.086) 1.189 5.527 ( 0.981 0.000 -1.175) 1.531 6.132 ( -0.508 0.000 0.486) 0.703 6.239 ( 0.157 -0.000 0.050) 0.165 6.505 ( -0.123 0.000 0.629) 0.641 6.587 ( 0.172 -0.000 0.090) 0.194 6.638 ( 0.008 -0.000 0.007) 0.010 6.665 ( 0.285 0.000 -0.478) 0.557 6.781 ( -1.271 0.000 1.460) 1.936 7.044 ( 0.002 0.000 -0.266) 0.266 7.125 ( -0.111 -0.000 0.445) 0.459 7.128 ( -0.247 -0.000 0.527) 0.582 ======================= Grid point 77 (40/126) ======================= q-point: ( 0.10 -0.50 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 3.375 0.000 10.141) 10.688 0.900 ( -1.712 -0.000 3.215) 3.642 0.928 ( 6.737 0.000 10.463) 12.444 0.956 ( 0.155 -0.000 12.037) 12.038 1.258 ( 1.557 0.000 -1.877) 2.439 1.446 ( 1.210 0.000 2.136) 2.455 1.473 ( 1.245 -0.000 4.674) 4.838 1.491 ( 1.125 0.000 5.101) 5.224 1.586 ( 1.882 -0.000 7.941) 8.161 1.680 ( 8.457 -0.000 12.084) 14.750 1.737 ( 5.714 0.000 3.089) 6.496 1.826 ( 0.222 0.000 2.155) 2.167 1.897 ( 7.411 0.000 2.456) 7.807 2.010 ( -0.757 0.000 4.197) 4.264 2.011 ( 2.769 -0.000 2.007) 3.420 2.132 ( 2.939 0.000 0.017) 2.939 2.151 ( 1.373 -0.000 2.600) 2.940 2.196 ( 0.796 -0.000 0.874) 1.182 2.345 ( 2.676 0.000 3.818) 4.662 2.378 ( 1.402 -0.000 -6.161) 6.318 2.526 ( -3.302 0.000 1.490) 3.622 2.640 ( -6.157 -0.000 1.777) 6.408 2.676 ( -2.225 0.000 -1.847) 2.892 2.736 ( -1.608 -0.000 -1.150) 1.977 2.866 ( -0.930 -0.000 -2.984) 3.125 2.896 ( 1.344 0.000 0.667) 1.501 3.014 ( -4.099 -0.000 -4.393) 6.009 3.050 ( 0.764 0.000 2.322) 2.444 3.139 ( 2.416 0.000 0.395) 2.448 3.221 ( 2.152 -0.000 -2.541) 3.330 3.352 ( -3.713 -0.000 0.389) 3.734 3.420 ( 4.473 -0.000 0.719) 4.530 3.605 ( 0.206 -0.000 -1.076) 1.096 3.609 ( 2.634 0.000 -0.337) 2.656 3.671 ( 1.901 0.000 2.186) 2.897 3.701 ( 1.120 -0.000 -0.695) 1.318 3.744 ( -0.602 0.000 1.303) 1.435 3.749 ( -3.412 -0.000 -4.390) 5.559 4.012 ( 0.482 0.000 -4.064) 4.093 4.060 ( -1.718 -0.000 -0.855) 1.919 4.230 ( -1.042 0.000 -1.271) 1.643 4.435 ( 1.214 0.000 -0.873) 1.495 5.413 ( -0.355 0.000 1.038) 1.097 5.531 ( 1.210 0.000 -0.993) 1.566 6.130 ( -0.536 0.000 0.576) 0.787 6.244 ( 0.271 -0.000 0.057) 0.277 6.512 ( -0.061 0.000 0.714) 0.716 6.591 ( 0.147 -0.000 0.070) 0.163 6.639 ( 0.212 -0.000 -0.102) 0.235 6.662 ( 0.113 -0.000 -0.525) 0.537 6.778 ( -1.479 0.000 1.703) 2.255 7.037 ( -0.161 0.000 -0.524) 0.549 7.131 ( -0.115 -0.000 0.722) 0.731 7.133 ( -0.033 -0.000 0.621) 0.621 ======================= Grid point 79 (41/126) ======================= q-point: ( 0.20 -0.50 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.393 0.000 4.980) 4.996 1.036 ( 4.421 -0.000 9.258) 10.259 1.107 ( 3.800 0.000 9.469) 10.203 1.144 ( 5.302 0.000 5.717) 7.797 1.294 ( 5.815 -0.000 1.308) 5.960 1.471 ( -0.089 0.000 3.441) 3.443 1.530 ( 0.431 0.000 3.535) 3.562 1.552 ( 3.394 -0.000 2.362) 4.135 1.731 ( 2.711 0.000 6.104) 6.679 1.789 ( -0.575 0.000 1.144) 1.281 1.836 ( 4.534 -0.000 -2.741) 5.299 1.972 ( 4.198 0.000 3.892) 5.725 1.986 ( -0.073 -0.000 4.416) 4.416 2.084 ( 5.687 -0.000 2.959) 6.411 2.134 ( 3.592 0.000 4.869) 6.051 2.158 ( 6.492 -0.000 2.063) 6.812 2.184 ( 0.446 -0.000 3.242) 3.272 2.244 ( 3.417 0.000 -3.100) 4.614 2.379 ( 3.046 -0.000 3.713) 4.803 2.441 ( -1.393 0.000 2.961) 3.273 2.529 ( 2.288 0.000 2.809) 3.623 2.576 ( -3.976 0.000 1.869) 4.394 2.655 ( 1.583 0.000 0.373) 1.627 2.683 ( -3.719 -0.000 -0.906) 3.827 2.802 ( -1.532 0.000 -2.893) 3.274 2.887 ( -4.143 0.000 -4.863) 6.389 2.913 ( -0.126 -0.000 1.311) 1.317 3.117 ( 5.820 -0.000 -0.552) 5.847 3.185 ( -2.051 -0.000 -3.211) 3.810 3.205 ( 4.134 0.000 1.113) 4.282 3.332 ( 0.599 0.000 0.005) 0.599 3.468 ( 0.431 -0.000 0.675) 0.801 3.586 ( -1.964 -0.000 -1.602) 2.534 3.611 ( -0.553 0.000 -0.865) 1.026 3.631 ( -3.502 0.000 -3.328) 4.831 3.710 ( 1.149 0.000 -1.422) 1.828 3.720 ( 2.617 -0.000 -0.169) 2.622 3.762 ( -0.996 -0.000 3.523) 3.661 3.951 ( -0.827 0.000 -5.812) 5.871 4.015 ( -2.378 -0.000 -1.858) 3.018 4.188 ( -2.069 -0.000 -1.323) 2.456 4.436 ( 0.738 0.000 -1.319) 1.511 5.420 ( -0.052 0.000 0.629) 0.631 5.539 ( 1.197 0.000 -0.747) 1.411 6.130 ( -0.541 0.000 0.693) 0.879 6.248 ( 0.328 0.000 -0.045) 0.331 6.518 ( -0.263 0.000 0.630) 0.683 6.592 ( 0.006 -0.000 -0.050) 0.051 6.643 ( 0.671 0.000 -0.439) 0.802 6.657 ( -0.042 -0.000 -0.468) 0.469 6.777 ( -1.749 0.000 2.254) 2.853 7.028 ( -0.067 0.000 -0.663) 0.666 7.138 ( -0.188 -0.000 0.771) 0.794 7.140 ( 0.032 -0.000 0.586) 0.587 ======================= Grid point 81 (42/126) ======================= q-point: ( 0.30 -0.50 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.504 -0.000 5.585) 5.608 1.105 ( -3.914 -0.000 4.628) 6.061 1.221 ( 2.833 -0.000 1.250) 3.097 1.315 ( 7.227 0.000 7.520) 10.430 1.418 ( 3.989 -0.000 1.085) 4.134 1.566 ( 5.804 0.000 4.019) 7.060 1.593 ( 2.203 -0.000 4.403) 4.923 1.635 ( 3.306 -0.000 1.777) 3.753 1.778 ( -0.752 -0.000 0.106) 0.760 1.811 ( 1.824 0.000 1.368) 2.281 1.852 ( 3.038 0.000 -0.450) 3.071 2.016 ( 2.651 -0.000 -0.632) 2.725 2.033 ( -0.976 0.000 2.467) 2.653 2.138 ( -0.162 -0.000 0.601) 0.622 2.187 ( -1.191 -0.000 -2.405) 2.684 2.196 ( 4.694 0.000 1.446) 4.911 2.299 ( 4.897 -0.000 -0.988) 4.996 2.308 ( -1.137 0.000 3.163) 3.361 2.442 ( 3.264 0.000 1.403) 3.553 2.457 ( -1.910 -0.000 2.587) 3.215 2.521 ( -2.185 -0.000 -4.460) 4.967 2.605 ( -4.086 0.000 1.077) 4.226 2.648 ( 6.646 0.000 4.883) 8.247 2.716 ( 0.037 -0.000 0.522) 0.523 2.780 ( -0.379 0.000 0.026) 0.380 2.841 ( 6.196 0.000 0.824) 6.251 2.938 ( -0.029 0.000 3.244) 3.244 3.098 ( -1.336 -0.000 -4.874) 5.054 3.205 ( 6.361 -0.000 -2.088) 6.695 3.276 ( 3.538 0.000 0.155) 3.542 3.350 ( 2.351 -0.000 -1.198) 2.639 3.442 ( -4.353 -0.000 -2.670) 5.107 3.500 ( -2.635 0.000 1.070) 2.844 3.586 ( -1.368 -0.000 -0.953) 1.667 3.596 ( -0.595 0.000 -1.035) 1.194 3.702 ( -0.829 -0.000 -0.261) 0.869 3.758 ( 1.592 0.000 0.850) 1.805 3.773 ( -2.715 -0.000 0.967) 2.882 3.868 ( -1.169 0.000 -3.095) 3.308 3.941 ( -3.236 -0.000 -2.766) 4.257 4.146 ( -2.101 -0.000 -0.152) 2.107 4.432 ( 0.729 0.000 -1.170) 1.378 5.425 ( 0.225 0.000 -0.016) 0.226 5.549 ( 0.950 0.000 -0.436) 1.045 6.130 ( -0.556 0.000 0.733) 0.920 6.252 ( 0.334 0.000 -0.183) 0.381 6.519 ( -0.425 0.000 0.554) 0.699 6.591 ( -0.051 0.000 -0.144) 0.153 6.648 ( 1.031 0.000 -1.003) 1.438 6.651 ( -0.124 -0.000 -0.324) 0.347 6.778 ( -2.074 0.000 2.824) 3.504 7.021 ( 0.164 0.000 -0.667) 0.687 7.142 ( -0.278 -0.000 0.604) 0.665 7.147 ( -0.016 0.000 0.471) 0.472 ======================= Grid point 83 (43/126) ======================= q-point: ( 0.40 -0.50 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -3.007 0.000 2.973) 4.228 1.078 ( -4.274 0.000 2.527) 4.966 1.289 ( 2.381 -0.000 1.865) 3.024 1.450 ( 1.849 0.000 -0.635) 1.955 1.459 ( 2.903 -0.000 1.815) 3.424 1.614 ( -0.199 0.000 -0.966) 0.987 1.641 ( -1.882 -0.000 1.093) 2.176 1.714 ( 1.488 0.000 3.082) 3.422 1.845 ( 4.186 0.000 4.276) 5.984 1.858 ( 2.275 -0.000 -0.215) 2.285 1.870 ( 3.541 0.000 -4.591) 5.798 2.009 ( -4.280 -0.000 0.528) 4.313 2.063 ( 4.552 0.000 -2.044) 4.990 2.116 ( -0.646 -0.000 -0.874) 1.087 2.180 ( -0.290 0.000 2.354) 2.372 2.217 ( -1.488 -0.000 -2.772) 3.146 2.306 ( -0.768 0.000 -1.561) 1.739 2.330 ( 2.930 -0.000 3.026) 4.213 2.385 ( -4.887 0.000 -2.835) 5.650 2.436 ( -0.886 -0.000 -0.171) 0.902 2.562 ( -2.371 -0.000 1.345) 2.726 2.567 ( 5.808 0.000 -0.519) 5.831 2.661 ( -2.611 -0.000 -3.456) 4.332 2.781 ( 2.828 0.000 -1.793) 3.349 2.797 ( 4.392 0.000 2.392) 5.001 2.949 ( -2.236 -0.000 -1.593) 2.745 3.022 ( 7.139 -0.000 6.802) 9.861 3.067 ( 2.629 0.000 -1.013) 2.817 3.251 ( -4.295 0.000 -4.838) 6.469 3.266 ( 6.888 -0.000 -4.150) 8.042 3.365 ( 1.640 -0.000 -1.993) 2.581 3.372 ( 0.702 0.000 -0.191) 0.727 3.511 ( -1.269 0.000 1.981) 2.352 3.537 ( -2.466 0.000 -2.596) 3.581 3.573 ( -1.439 0.000 -0.105) 1.443 3.664 ( -3.449 0.000 -0.787) 3.538 3.726 ( 0.167 0.000 -1.082) 1.095 3.778 ( -0.466 0.000 1.724) 1.786 3.875 ( -0.735 0.000 4.795) 4.851 3.886 ( -0.725 -0.000 -0.049) 0.727 4.123 ( -1.458 0.000 0.932) 1.731 4.432 ( 0.815 0.000 -0.778) 1.127 5.426 ( 0.317 0.000 -0.636) 0.711 5.557 ( 0.584 0.000 -0.167) 0.607 6.130 ( -0.568 0.000 0.709) 0.909 6.254 ( 0.281 0.000 -0.307) 0.416 6.519 ( -0.456 0.000 0.497) 0.674 6.588 ( 0.024 0.000 -0.141) 0.143 6.646 ( -0.050 0.000 -0.199) 0.205 6.650 ( 1.153 -0.000 -1.437) 1.842 6.780 ( -2.351 0.000 3.064) 3.862 7.018 ( 0.382 0.000 -0.581) 0.695 7.143 ( -0.352 -0.000 0.375) 0.514 7.151 ( -0.128 0.000 0.358) 0.380 ======================= Grid point 85 (44/126) ======================= q-point: (-0.50 -0.50 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -2.936 0.000 1.303) 3.212 1.050 ( -2.532 0.000 1.603) 2.996 1.301 ( -2.136 0.000 -0.312) 2.158 1.411 ( -4.815 0.000 -4.772) 6.779 1.477 ( 0.384 -0.000 0.578) 0.694 1.581 ( -2.347 0.000 -2.957) 3.776 1.655 ( -4.034 0.000 -3.684) 5.463 1.672 ( 1.372 -0.000 1.470) 2.011 1.834 ( -0.079 0.000 -4.069) 4.069 1.854 ( -1.286 0.000 -2.391) 2.715 1.872 ( -4.567 0.000 -0.536) 4.598 1.999 ( 0.217 0.000 0.048) 0.222 2.040 ( -0.739 -0.000 -5.632) 5.681 2.113 ( 0.812 0.000 -1.035) 1.316 2.168 ( 1.363 0.000 -4.177) 4.394 2.211 ( -0.726 0.000 3.795) 3.863 2.310 ( -1.740 0.000 -1.018) 2.016 2.322 ( 2.969 -0.000 1.426) 3.294 2.420 ( 2.148 0.000 3.417) 4.036 2.438 ( 0.899 -0.000 -0.298) 0.947 2.554 ( -1.694 0.000 2.262) 2.826 2.559 ( -0.857 -0.000 -3.423) 3.528 2.629 ( 3.968 0.000 -2.083) 4.482 2.802 ( -5.510 -0.000 -4.502) 7.115 2.836 ( 0.659 0.000 1.218) 1.385 2.892 ( 1.243 0.000 -1.202) 1.729 3.033 ( -6.215 0.000 -1.877) 6.492 3.068 ( 0.123 0.000 -2.703) 2.706 3.268 ( 7.124 0.000 3.231) 7.822 3.316 ( 4.283 0.000 -4.263) 6.043 3.359 ( 1.353 0.000 -1.028) 1.699 3.377 ( -1.505 -0.000 -0.723) 1.670 3.474 ( -0.201 -0.000 -2.761) 2.768 3.485 ( -1.255 0.000 -0.294) 1.289 3.547 ( -0.642 -0.000 -1.018) 1.204 3.627 ( 1.001 0.000 -2.127) 2.351 3.745 ( 0.409 0.000 2.722) 2.752 3.814 ( -0.174 0.000 3.960) 3.964 3.910 ( 1.323 0.000 2.818) 3.114 3.935 ( -0.277 -0.000 6.151) 6.157 4.125 ( -0.212 0.000 1.653) 1.666 4.436 ( 0.691 -0.000 -0.557) 0.888 5.420 ( 0.217 0.000 -0.961) 0.985 5.562 ( 0.225 0.000 -0.155) 0.273 6.129 ( -0.558 0.000 0.692) 0.889 6.253 ( 0.179 0.000 -0.381) 0.421 6.518 ( -0.412 0.000 0.439) 0.602 6.588 ( 0.121 0.000 -0.090) 0.151 6.645 ( 0.194 0.000 -0.169) 0.258 6.649 ( 1.005 -0.000 -1.550) 1.847 6.779 ( -2.388 0.000 2.937) 3.786 7.019 ( 0.530 0.000 -0.418) 0.675 7.141 ( -0.414 0.000 0.184) 0.453 7.151 ( -0.293 0.000 0.287) 0.410 ======================= Grid point 87 (45/126) ======================= q-point: (-0.40 -0.50 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -3.324 -0.000 0.718) 3.401 1.026 ( -2.972 0.000 -0.074) 2.973 1.224 ( -5.095 0.000 -3.355) 6.100 1.236 ( -8.833 0.000 -6.118) 10.745 1.416 ( -4.724 0.000 -3.492) 5.874 1.479 ( -5.236 0.000 -7.467) 9.120 1.556 ( -0.612 -0.000 -0.010) 0.612 1.686 ( -5.236 0.000 -1.781) 5.531 1.768 ( -2.296 -0.000 -0.177) 2.303 1.771 ( -1.850 0.000 -4.445) 4.814 1.853 ( 1.972 0.000 -0.185) 1.980 1.931 ( -1.698 0.000 -6.630) 6.844 1.989 ( 0.815 -0.000 -3.074) 3.180 2.102 ( -2.407 -0.000 -5.876) 6.350 2.107 ( 0.241 0.000 -1.564) 1.582 2.219 ( -3.376 0.000 1.070) 3.542 2.280 ( -2.270 -0.000 -0.518) 2.328 2.350 ( -1.389 0.000 -1.892) 2.347 2.445 ( 0.206 -0.000 -0.338) 0.396 2.472 ( -0.585 0.000 0.118) 0.596 2.541 ( 1.187 0.000 -0.705) 1.381 2.551 ( -3.308 -0.000 -1.021) 3.462 2.634 ( -3.375 -0.000 -0.943) 3.504 2.680 ( -0.315 -0.000 2.332) 2.353 2.788 ( 0.346 0.000 -0.448) 0.566 2.906 ( -0.789 0.000 1.627) 1.808 2.985 ( -3.298 -0.000 2.419) 4.090 3.057 ( 3.705 0.000 -3.705) 5.240 3.301 ( 1.979 0.000 -4.617) 5.023 3.302 ( -3.393 -0.000 -1.855) 3.867 3.339 ( -4.412 -0.000 1.129) 4.555 3.393 ( 4.336 0.000 0.288) 4.345 3.500 ( 5.539 0.000 -1.079) 5.643 3.504 ( 1.022 -0.000 1.994) 2.241 3.553 ( 4.202 0.000 -1.159) 4.358 3.628 ( 2.534 0.000 -2.949) 3.888 3.787 ( 0.235 0.000 2.813) 2.823 3.833 ( -2.591 0.000 2.698) 3.740 3.978 ( 1.996 0.000 3.254) 3.818 4.005 ( 0.488 -0.000 4.991) 5.015 4.157 ( 1.309 0.000 2.189) 2.550 4.439 ( 0.543 -0.000 -0.708) 0.892 5.411 ( 0.021 0.000 -0.824) 0.824 5.560 ( -0.022 -0.000 -0.472) 0.472 6.129 ( -0.527 0.000 0.719) 0.892 6.251 ( 0.053 0.000 -0.393) 0.397 6.516 ( -0.381 0.000 0.371) 0.531 6.589 ( 0.130 0.000 -0.125) 0.180 6.644 ( 0.634 0.000 -1.329) 1.473 6.648 ( 0.497 -0.000 -0.203) 0.537 6.777 ( -2.076 0.000 2.592) 3.321 7.024 ( 0.597 0.000 -0.207) 0.632 7.135 ( -0.461 0.000 0.072) 0.466 7.149 ( -0.495 0.000 0.250) 0.554 ======================= Grid point 89 (46/126) ======================= q-point: (-0.30 -0.50 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -9.482 -0.000 -5.704) 11.066 0.927 ( -3.365 -0.000 1.002) 3.511 1.050 ( -9.452 -0.000 -7.296) 11.941 1.053 ( -9.026 0.000 -1.392) 9.133 1.314 ( -2.280 0.000 -2.848) 3.649 1.362 ( -0.240 -0.000 -4.148) 4.155 1.525 ( -2.459 0.000 -0.575) 2.525 1.584 ( -5.010 0.000 -1.601) 5.260 1.661 ( -5.321 -0.000 -4.341) 6.867 1.732 ( -0.026 0.000 -1.709) 1.709 1.794 ( -4.255 -0.000 -7.524) 8.644 1.918 ( 0.949 0.000 -0.597) 1.121 1.921 ( -7.319 -0.000 -3.836) 8.263 2.015 ( 0.140 0.000 -2.980) 2.983 2.078 ( -0.644 0.000 -3.753) 3.808 2.122 ( -5.973 -0.000 -0.903) 6.041 2.204 ( -5.576 -0.000 -1.497) 5.774 2.236 ( -4.786 0.000 -3.192) 5.753 2.383 ( -5.074 -0.000 -1.999) 5.453 2.448 ( 1.745 0.000 -0.705) 1.882 2.518 ( 2.338 0.000 -0.197) 2.346 2.564 ( -0.729 -0.000 1.594) 1.753 2.684 ( 1.435 0.000 5.064) 5.264 2.688 ( -0.190 -0.000 1.248) 1.263 2.865 ( 3.036 -0.000 3.151) 4.376 2.913 ( -0.792 0.000 1.688) 1.864 2.977 ( -0.695 -0.000 3.467) 3.536 3.056 ( 1.304 0.000 -4.604) 4.785 3.240 ( -2.451 -0.000 -0.815) 2.583 3.269 ( -0.373 -0.000 -2.291) 2.322 3.308 ( -1.209 -0.000 2.144) 2.461 3.411 ( 0.512 0.000 -2.373) 2.427 3.548 ( 3.964 0.000 -1.604) 4.276 3.569 ( 3.909 -0.000 -1.214) 4.094 3.633 ( 2.581 -0.000 -1.784) 3.137 3.639 ( 5.033 0.000 2.023) 5.425 3.802 ( -4.150 0.000 1.111) 4.296 3.808 ( -0.993 -0.000 1.570) 1.858 4.036 ( 1.178 0.000 2.444) 2.713 4.059 ( 0.634 -0.000 2.457) 2.538 4.207 ( 1.743 0.000 1.785) 2.495 4.435 ( 0.438 -0.000 -1.240) 1.315 5.403 ( -0.162 0.000 -0.278) 0.322 5.550 ( -0.051 -0.000 -0.908) 0.909 6.130 ( -0.481 -0.000 0.757) 0.897 6.246 ( -0.055 0.000 -0.357) 0.361 6.514 ( -0.465 0.000 0.245) 0.526 6.589 ( 0.094 0.000 -0.235) 0.253 6.638 ( 0.319 0.000 -0.811) 0.871 6.654 ( 0.654 -0.000 -0.262) 0.704 6.778 ( -1.588 0.000 2.177) 2.694 7.031 ( 0.551 0.000 -0.060) 0.555 7.129 ( -0.426 0.000 0.076) 0.433 7.142 ( -0.666 0.000 0.234) 0.706 ======================= Grid point 91 (47/126) ======================= q-point: (-0.20 -0.50 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -8.014 -0.000 0.299) 8.019 0.802 ( -9.802 0.000 -5.084) 11.042 0.895 ( -4.128 -0.001 0.993) 4.246 0.897 ( -10.734 0.001 1.292) 10.812 1.282 ( 0.364 0.000 -0.987) 1.052 1.348 ( 1.293 0.000 -2.376) 2.705 1.471 ( -4.167 -0.000 -0.886) 4.260 1.486 ( -5.059 0.000 -0.630) 5.098 1.572 ( -4.776 -0.000 0.770) 4.838 1.613 ( -4.704 0.000 -7.496) 8.850 1.632 ( -10.816 -0.000 -0.099) 10.816 1.778 ( -2.927 -0.000 -2.306) 3.726 1.857 ( -1.153 -0.000 -5.447) 5.567 1.970 ( -4.034 -0.000 -4.097) 5.749 1.990 ( -4.641 0.000 0.235) 4.647 2.108 ( 2.243 -0.000 -0.715) 2.354 2.157 ( 0.104 0.000 1.407) 1.411 2.172 ( -1.697 -0.000 -0.186) 1.707 2.303 ( -2.083 0.000 -2.132) 2.981 2.464 ( 2.391 0.000 -2.514) 3.469 2.561 ( -2.513 -0.000 2.908) 3.844 2.598 ( 6.179 -0.000 1.929) 6.473 2.709 ( 1.495 -0.000 1.438) 2.075 2.754 ( 0.017 0.000 4.170) 4.170 2.908 ( -2.747 -0.000 0.141) 2.751 2.919 ( -0.273 0.000 2.210) 2.226 3.000 ( -1.659 0.000 -1.153) 2.021 3.015 ( 1.428 -0.000 -0.251) 1.450 3.228 ( 0.067 -0.000 2.041) 2.042 3.243 ( 0.192 0.000 -2.267) 2.275 3.349 ( 1.493 0.000 3.570) 3.870 3.379 ( 0.303 0.000 -3.110) 3.125 3.560 ( 1.009 0.000 -3.820) 3.951 3.566 ( 0.386 -0.000 -3.734) 3.754 3.673 ( 2.477 -0.000 0.405) 2.509 3.700 ( -1.531 0.000 0.419) 1.587 3.775 ( 1.305 0.000 1.777) 2.205 3.794 ( -2.062 0.000 0.397) 2.099 4.075 ( 0.497 -0.000 1.991) 2.052 4.078 ( -0.122 0.000 0.074) 0.143 4.243 ( 0.942 -0.000 0.638) 1.137 4.423 ( 0.347 -0.000 -1.545) 1.584 5.400 ( -0.295 0.000 0.376) 0.478 5.538 ( 0.182 -0.000 -1.202) 1.216 6.132 ( -0.436 -0.000 0.713) 0.836 6.241 ( -0.079 0.000 -0.257) 0.269 6.508 ( -0.570 -0.000 0.173) 0.595 6.587 ( 0.048 0.000 -0.258) 0.262 6.636 ( 0.218 0.000 -0.248) 0.330 6.661 ( 0.611 -0.000 -0.327) 0.693 6.780 ( -1.233 0.000 1.804) 2.185 7.038 ( 0.429 0.000 -0.022) 0.430 7.125 ( -0.294 0.000 0.150) 0.330 7.135 ( -0.699 0.000 0.259) 0.746 ======================= Grid point 93 (48/126) ======================= q-point: (-0.10 -0.50 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -6.460 -0.000 12.332) 13.922 0.697 ( -5.631 0.000 8.443) 10.148 0.794 ( -5.157 -0.000 3.762) 6.383 0.831 ( -4.913 0.000 1.876) 5.259 1.267 ( -1.389 0.000 -0.765) 1.585 1.286 ( -6.946 -0.000 1.570) 7.121 1.385 ( -2.393 0.000 -2.314) 3.328 1.422 ( -1.714 -0.000 -1.379) 2.200 1.513 ( 0.461 -0.000 2.063) 2.114 1.540 ( -5.244 0.000 3.473) 6.290 1.591 ( 1.196 0.000 1.390) 1.834 1.728 ( -0.430 0.000 0.125) 0.448 1.792 ( -0.226 -0.000 -3.109) 3.117 1.910 ( -1.337 -0.000 0.763) 1.539 1.921 ( -3.084 -0.000 0.193) 3.090 2.131 ( 0.633 0.000 -0.087) 0.639 2.148 ( -3.477 0.000 0.910) 3.594 2.168 ( 1.682 -0.000 -0.845) 1.883 2.293 ( 2.891 0.000 -1.529) 3.271 2.460 ( 2.237 0.000 -4.056) 4.633 2.562 ( -2.514 0.000 3.380) 4.212 2.715 ( 5.935 0.000 -0.309) 5.943 2.769 ( 2.752 -0.000 2.074) 3.446 2.776 ( -2.854 0.000 2.706) 3.933 2.836 ( -3.853 -0.000 0.581) 3.897 2.885 ( -3.131 0.000 -2.128) 3.785 3.009 ( 0.123 -0.000 2.656) 2.658 3.048 ( 3.550 0.000 -0.396) 3.572 3.220 ( -0.179 -0.000 -1.433) 1.444 3.229 ( -0.639 0.000 -2.799) 2.871 3.365 ( -1.013 0.000 -0.106) 1.019 3.419 ( 1.643 -0.000 3.244) 3.637 3.511 ( 1.199 0.000 -2.733) 2.984 3.514 ( -1.020 -0.000 -3.002) 3.171 3.669 ( -3.568 -0.000 2.470) 4.340 3.698 ( 1.262 0.000 -0.919) 1.561 3.767 ( -1.836 -0.000 0.364) 1.872 3.826 ( 2.425 0.000 -0.304) 2.444 4.063 ( -0.447 -0.000 -1.376) 1.446 4.095 ( -0.277 0.000 1.089) 1.124 4.253 ( 0.171 -0.000 -0.140) 0.221 4.415 ( 0.705 -0.000 -0.979) 1.206 5.402 ( -0.415 -0.000 0.847) 0.943 5.529 ( 0.590 -0.000 -1.271) 1.401 6.133 ( -0.448 0.000 0.564) 0.720 6.238 ( 0.011 0.000 -0.089) 0.090 6.503 ( -0.422 -0.000 0.353) 0.550 6.585 ( 0.064 0.000 -0.089) 0.109 6.637 ( 0.110 0.000 0.012) 0.111 6.665 ( 0.465 0.000 -0.396) 0.610 6.782 ( -1.150 0.000 1.534) 1.917 7.043 ( 0.270 0.000 -0.064) 0.278 7.124 ( -0.176 0.000 0.225) 0.285 7.129 ( -0.530 0.000 0.366) 0.645 ======================= Grid point 105 (49/126) ======================= q-point: ( 0.00 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 3.460 0.000 15.379) 15.764 0.689 ( 5.853 0.000 15.850) 16.897 1.136 ( -2.643 0.000 5.180) 5.815 1.144 ( -5.035 0.000 -0.767) 5.093 1.323 ( -3.114 0.000 13.269) 13.630 1.347 ( 0.546 0.000 -0.308) 0.626 1.401 ( -3.309 0.000 15.258) 15.613 1.424 ( 0.232 0.000 3.445) 3.453 1.611 ( -1.750 0.000 1.711) 2.448 1.738 ( 2.572 0.000 6.238) 6.748 1.761 ( 0.471 0.000 2.586) 2.629 1.811 ( 2.858 0.000 5.097) 5.843 1.919 ( 7.396 0.000 -1.020) 7.466 1.942 ( -1.996 0.000 2.151) 2.934 2.025 ( 1.302 0.000 -1.002) 1.643 2.100 ( 2.132 0.000 3.365) 3.984 2.147 ( 4.534 0.000 1.808) 4.881 2.301 ( 1.492 0.000 4.357) 4.605 2.421 ( -0.801 0.000 -1.934) 2.093 2.452 ( 2.103 0.000 -3.575) 4.148 2.524 ( -1.395 0.000 3.820) 4.067 2.630 ( -2.117 0.000 -0.949) 2.320 2.726 ( -0.463 0.000 0.667) 0.812 2.770 ( 0.771 0.000 -1.803) 1.961 2.815 ( 0.461 0.000 -4.144) 4.169 2.928 ( -5.905 0.000 0.021) 5.905 3.081 ( 1.057 0.000 -2.614) 2.820 3.104 ( -0.711 0.000 -2.292) 2.400 3.145 ( -0.680 0.000 2.208) 2.311 3.165 ( -0.870 0.000 0.208) 0.894 3.322 ( 1.468 0.000 -0.509) 1.554 3.355 ( 1.570 0.000 0.508) 1.650 3.541 ( 2.172 0.000 -1.819) 2.833 3.556 ( 3.035 0.000 -2.843) 4.159 3.683 ( 4.969 0.000 -0.263) 4.976 3.694 ( -2.081 0.000 -2.163) 3.002 3.728 ( -2.685 0.000 0.257) 2.697 3.802 ( -0.437 0.000 -0.288) 0.523 4.027 ( 0.866 0.000 -3.987) 4.080 4.066 ( -1.037 0.000 -2.958) 3.135 4.216 ( -0.752 0.000 0.796) 1.095 4.409 ( 1.790 0.000 -1.786) 2.529 5.438 ( -1.100 0.000 1.336) 1.731 5.501 ( 1.708 0.000 -1.614) 2.349 6.150 ( -0.930 0.000 1.361) 1.648 6.244 ( 0.492 0.000 -0.516) 0.713 6.527 ( -0.243 0.000 0.633) 0.678 6.573 ( -0.121 0.000 0.054) 0.133 6.623 ( 0.310 0.000 0.104) 0.327 6.677 ( 0.425 0.000 -0.671) 0.794 6.819 ( -1.762 0.000 2.819) 3.324 7.040 ( 0.202 0.000 -1.211) 1.228 7.138 ( -0.256 0.000 0.904) 0.939 7.146 ( -0.347 0.000 0.735) 0.813 ======================= Grid point 106 (50/126) ======================= q-point: ( 0.10 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 5.664 0.000 10.848) 12.238 0.968 ( 6.059 0.000 11.411) 12.920 1.095 ( -1.680 0.000 3.323) 3.724 1.148 ( 0.440 0.000 2.146) 2.191 1.360 ( 1.682 0.000 -0.539) 1.766 1.387 ( 2.046 0.000 4.175) 4.649 1.478 ( 1.947 0.000 2.403) 3.093 1.571 ( -1.962 0.000 -0.756) 2.103 1.636 ( 4.964 0.000 14.067) 14.917 1.783 ( 0.779 0.000 2.016) 2.161 1.830 ( 4.018 0.000 2.371) 4.665 1.920 ( 0.410 0.000 3.651) 3.674 1.990 ( 3.359 0.000 -1.923) 3.871 2.033 ( 4.401 0.000 8.644) 9.700 2.062 ( 4.968 0.000 -1.882) 5.313 2.166 ( 1.148 0.000 4.165) 4.321 2.192 ( 0.907 0.000 -0.225) 0.935 2.351 ( 1.852 0.000 -1.307) 2.266 2.396 ( -0.762 0.000 1.196) 1.418 2.484 ( 1.060 0.000 2.585) 2.794 2.584 ( -2.540 0.000 -0.606) 2.612 2.585 ( 2.293 0.000 4.778) 5.300 2.685 ( -4.425 0.000 -2.888) 5.284 2.733 ( -0.014 0.000 1.404) 1.404 2.799 ( 0.191 0.000 -4.398) 4.402 2.804 ( -9.427 0.000 0.587) 9.445 3.045 ( -1.875 0.000 0.163) 1.882 3.052 ( 3.578 0.000 -6.999) 7.861 3.187 ( 1.526 0.000 2.710) 3.110 3.213 ( 3.473 0.000 1.222) 3.682 3.352 ( 1.954 0.000 0.108) 1.957 3.385 ( 0.909 0.000 -0.351) 0.974 3.531 ( -0.402 0.000 -2.170) 2.207 3.534 ( -0.023 0.000 -3.146) 3.146 3.631 ( -0.244 0.000 -4.237) 4.244 3.680 ( -2.081 0.000 0.454) 2.130 3.768 ( 5.643 0.000 -2.332) 6.106 3.794 ( -2.042 0.000 1.810) 2.729 3.980 ( -0.613 0.000 -4.186) 4.231 4.008 ( -1.497 0.000 -3.313) 3.636 4.212 ( -1.274 0.000 1.235) 1.774 4.410 ( 1.546 0.000 -2.500) 2.939 5.433 ( -0.837 0.000 0.481) 0.965 5.512 ( 1.729 0.000 -1.037) 2.016 6.152 ( -0.934 0.000 1.309) 1.608 6.246 ( 0.594 0.000 -0.549) 0.809 6.530 ( -0.463 0.000 0.767) 0.896 6.570 ( -0.185 0.000 -0.274) 0.331 6.628 ( 0.238 0.000 0.163) 0.289 6.674 ( 0.348 0.000 -0.843) 0.912 6.827 ( -1.920 0.000 3.357) 3.867 7.025 ( 0.062 0.000 -1.465) 1.467 7.146 ( -0.176 0.000 0.853) 0.871 7.150 ( -0.316 0.000 0.667) 0.738 ======================= Grid point 107 (51/126) ======================= q-point: ( 0.20 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 3.717 0.000 6.563) 7.543 1.047 ( -0.229 0.000 -0.302) 0.379 1.180 ( 3.557 0.000 5.690) 6.710 1.286 ( 5.662 0.000 7.905) 9.724 1.392 ( 3.449 0.000 -0.208) 3.456 1.476 ( 0.661 0.000 3.672) 3.731 1.554 ( 5.810 0.000 2.541) 6.341 1.567 ( 3.419 0.000 -0.919) 3.540 1.726 ( 0.638 0.000 -1.246) 1.400 1.904 ( 1.923 0.000 -0.752) 2.064 1.904 ( 4.453 0.000 2.865) 5.295 1.961 ( 2.805 0.000 1.912) 3.395 1.989 ( 0.071 0.000 -1.978) 1.979 2.104 ( 4.609 0.000 -2.348) 5.173 2.149 ( 1.458 0.000 4.591) 4.817 2.198 ( 1.315 0.000 -0.839) 1.560 2.266 ( 3.358 0.000 4.705) 5.780 2.354 ( 1.074 0.000 -2.038) 2.304 2.419 ( -0.624 0.000 1.116) 1.278 2.511 ( -1.279 0.000 2.039) 2.407 2.547 ( -1.775 0.000 0.104) 1.778 2.609 ( -5.834 0.000 1.733) 6.086 2.619 ( -0.803 0.000 1.844) 2.011 2.680 ( -4.446 0.000 1.147) 4.592 2.723 ( -2.509 0.000 -2.980) 3.895 2.793 ( 3.686 0.000 0.419) 3.710 3.039 ( 7.175 0.000 -9.173) 11.646 3.057 ( 0.586 0.000 2.393) 2.464 3.238 ( 1.087 0.000 1.673) 1.995 3.280 ( 3.990 0.000 -0.595) 4.034 3.336 ( -3.918 0.000 -3.290) 5.116 3.360 ( 0.073 0.000 -1.230) 1.232 3.513 ( 0.117 0.000 1.315) 1.321 3.517 ( 1.241 0.000 -1.153) 1.694 3.599 ( 1.832 0.000 -3.511) 3.960 3.670 ( -0.584 0.000 0.469) 0.749 3.782 ( -1.895 0.000 1.452) 2.387 3.795 ( 0.819 0.000 -1.850) 2.024 3.922 ( -1.294 0.000 -1.773) 2.195 3.942 ( -2.776 0.000 -2.133) 3.501 4.210 ( -1.535 0.000 2.033) 2.547 4.399 ( 0.993 0.000 -2.490) 2.681 5.425 ( -0.362 0.000 -0.324) 0.485 5.528 ( 1.499 0.000 -0.490) 1.577 6.152 ( -0.967 0.000 1.237) 1.570 6.248 ( 0.667 0.000 -0.644) 0.927 6.531 ( -0.715 0.000 0.849) 1.110 6.562 ( -0.119 0.000 -0.551) 0.564 6.634 ( 0.086 0.000 0.268) 0.281 6.667 ( 0.320 0.000 -1.043) 1.091 6.839 ( -2.183 0.000 3.766) 4.353 7.009 ( 0.216 0.000 -1.575) 1.590 7.152 ( -0.246 0.000 0.668) 0.712 7.152 ( -0.257 0.000 0.526) 0.585 ======================= Grid point 108 (52/126) ======================= q-point: ( 0.30 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 2.188 0.000 -1.603) 2.712 1.110 ( -1.626 0.000 5.542) 5.776 1.311 ( 7.802 0.000 1.485) 7.942 1.416 ( 1.845 0.000 3.734) 4.165 1.467 ( 6.255 0.000 1.727) 6.489 1.479 ( -2.940 0.000 1.674) 3.383 1.642 ( 6.615 0.000 -2.920) 7.231 1.652 ( 3.185 0.000 -2.701) 4.176 1.758 ( 5.352 0.000 1.500) 5.558 1.840 ( -4.606 0.000 -2.515) 5.248 1.921 ( -1.124 0.000 -0.240) 1.149 1.968 ( 0.222 0.000 -2.094) 2.105 2.047 ( 2.841 0.000 1.795) 3.360 2.143 ( 1.731 0.000 -4.116) 4.465 2.179 ( 0.578 0.000 -2.900) 2.957 2.189 ( 0.459 0.000 -3.188) 3.220 2.313 ( -1.088 0.000 -1.940) 2.224 2.342 ( -1.233 0.000 1.666) 2.072 2.407 ( 1.286 0.000 1.785) 2.201 2.479 ( -4.862 0.000 2.295) 5.377 2.540 ( 0.519 0.000 0.301) 0.600 2.566 ( -1.885 0.000 2.210) 2.905 2.641 ( -1.349 0.000 0.066) 1.351 2.642 ( -0.100 0.000 -3.173) 3.174 2.760 ( 5.026 0.000 6.181) 7.966 2.842 ( 4.600 0.000 -1.694) 4.902 3.035 ( 5.970 0.000 -9.064) 10.853 3.108 ( 1.491 0.000 3.190) 3.522 3.186 ( -3.760 0.000 -7.750) 8.614 3.245 ( 0.878 0.000 -2.273) 2.437 3.348 ( 1.906 0.000 1.278) 2.294 3.368 ( 1.424 0.000 0.888) 1.678 3.521 ( 0.131 0.000 -0.797) 0.807 3.542 ( 1.049 0.000 -0.495) 1.160 3.598 ( 0.672 0.000 -0.389) 0.777 3.636 ( -2.739 0.000 -2.673) 3.827 3.773 ( -2.554 0.000 2.637) 3.671 3.777 ( 0.127 0.000 0.877) 0.887 3.886 ( -3.683 0.000 1.900) 4.144 3.922 ( 1.004 0.000 1.541) 1.839 4.213 ( -1.681 0.000 2.545) 3.050 4.386 ( 0.942 0.000 -2.048) 2.254 5.415 ( 0.060 0.000 -0.825) 0.828 5.544 ( 1.090 0.000 -0.224) 1.113 6.152 ( -0.996 0.000 1.186) 1.549 6.250 ( 0.670 0.000 -0.764) 1.016 6.529 ( -0.852 0.000 0.858) 1.209 6.555 ( 0.114 0.000 -0.610) 0.621 6.637 ( -0.100 0.000 0.297) 0.313 6.659 ( 0.340 0.000 -1.188) 1.236 6.848 ( -2.526 0.000 3.817) 4.577 6.997 ( 0.610 0.000 -1.478) 1.599 7.154 ( -0.351 0.000 0.469) 0.586 7.154 ( -0.190 0.000 0.411) 0.453 ======================= Grid point 109 (53/126) ======================= q-point: ( 0.40 0.00 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 3.231 0.000 -1.055) 3.398 1.118 ( -3.338 0.000 3.584) 4.898 1.394 ( 3.858 0.000 -2.901) 4.827 1.417 ( -4.049 0.000 1.871) 4.461 1.468 ( -0.236 0.000 -1.161) 1.185 1.566 ( -5.839 0.000 -6.599) 8.811 1.651 ( 8.544 0.000 5.258) 10.032 1.651 ( 1.882 0.000 -1.988) 2.738 1.785 ( -0.618 0.000 -7.880) 7.904 1.826 ( 3.575 0.000 -1.679) 3.950 1.882 ( -2.467 0.000 0.518) 2.520 1.931 ( -0.876 0.000 -4.912) 4.990 2.038 ( -1.803 0.000 -8.264) 8.458 2.056 ( -1.728 0.000 -4.176) 4.520 2.152 ( -0.741 0.000 -1.686) 1.842 2.165 ( 1.319 0.000 -0.143) 1.327 2.273 ( 0.893 0.000 0.354) 0.960 2.361 ( -2.217 0.000 3.920) 4.503 2.454 ( -0.906 0.000 0.215) 0.932 2.459 ( -1.473 0.000 1.352) 1.999 2.545 ( -1.070 0.000 -0.854) 1.369 2.571 ( 5.856 0.000 -1.174) 5.972 2.627 ( -1.274 0.000 1.587) 2.035 2.633 ( 1.233 0.000 0.288) 1.266 2.870 ( 0.125 0.000 0.667) 0.678 2.913 ( 7.771 0.000 -3.235) 8.417 3.019 ( 3.366 0.000 -3.975) 5.208 3.023 ( -4.858 0.000 -3.261) 5.851 3.221 ( 6.182 0.000 3.308) 7.012 3.230 ( 2.691 0.000 -4.704) 5.420 3.360 ( -0.874 0.000 -0.692) 1.114 3.400 ( 0.702 0.000 0.876) 1.123 3.493 ( -0.740 0.000 -2.024) 2.155 3.513 ( -2.493 0.000 -2.392) 3.455 3.567 ( -2.405 0.000 -0.933) 2.580 3.577 ( -0.160 0.000 -2.607) 2.612 3.790 ( -0.761 0.000 3.898) 3.971 3.818 ( 0.775 0.000 2.432) 2.552 3.895 ( -0.604 0.000 6.079) 6.109 3.970 ( 1.049 0.000 3.246) 3.411 4.216 ( -1.864 0.000 2.494) 3.114 4.381 ( 1.336 0.000 -1.619) 2.099 5.408 ( 0.250 0.000 -0.847) 0.883 5.553 ( 0.638 0.000 -0.441) 0.776 6.150 ( -1.004 0.000 1.199) 1.564 6.251 ( 0.605 0.000 -0.826) 1.024 6.526 ( -0.829 0.000 0.792) 1.147 6.552 ( 0.393 0.000 -0.490) 0.628 6.637 ( -0.262 0.000 0.173) 0.314 6.651 ( 0.482 0.000 -1.166) 1.261 6.851 ( -2.866 0.000 3.528) 4.545 6.994 ( 1.089 0.000 -1.201) 1.621 7.153 ( -0.424 0.000 0.358) 0.555 7.156 ( -0.186 0.000 0.370) 0.414 ======================= Grid point 110 (54/126) ======================= q-point: (-0.50 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -0.714 0.000 -0.509) 0.876 1.111 ( -2.609 0.000 2.969) 3.953 1.315 ( -7.067 0.000 -6.466) 9.579 1.373 ( -4.679 0.000 0.771) 4.742 1.435 ( -1.103 0.000 -1.048) 1.522 1.445 ( -2.202 0.000 -0.993) 2.416 1.589 ( -4.012 0.000 -8.179) 9.110 1.680 ( -6.527 0.000 -5.083) 8.272 1.704 ( 2.504 0.000 -3.221) 4.079 1.818 ( -4.472 0.000 -3.122) 5.454 1.843 ( -0.820 0.000 -4.689) 4.760 1.866 ( 2.787 0.000 -7.245) 7.763 1.950 ( -1.170 0.000 -5.883) 5.998 1.975 ( 7.712 0.000 -3.078) 8.304 2.166 ( 1.602 0.000 0.814) 1.797 2.176 ( -2.529 0.000 0.429) 2.565 2.310 ( 0.506 0.000 1.063) 1.177 2.362 ( -0.451 0.000 2.442) 2.484 2.412 ( -2.079 0.000 -0.904) 2.267 2.449 ( 0.191 0.000 -0.112) 0.222 2.545 ( 0.613 0.000 -0.248) 0.661 2.583 ( -4.780 0.000 -1.131) 4.912 2.652 ( -0.916 0.000 2.299) 2.474 2.687 ( 1.875 0.000 -2.530) 3.150 2.766 ( -2.484 0.000 2.047) 3.219 2.964 ( 5.513 0.000 -4.468) 7.096 3.002 ( -0.235 0.000 2.005) 2.018 3.061 ( 3.544 0.000 -0.949) 3.668 3.219 ( 2.288 0.000 -3.196) 3.930 3.313 ( -1.271 0.000 1.721) 2.139 3.377 ( -2.378 0.000 -2.033) 3.129 3.388 ( 7.276 0.000 1.138) 7.364 3.461 ( -1.081 0.000 -0.021) 1.081 3.465 ( 1.013 0.000 -3.375) 3.524 3.532 ( -1.329 0.000 -0.229) 1.348 3.563 ( 1.682 0.000 -1.477) 2.239 3.826 ( 0.319 0.000 1.968) 1.994 3.834 ( -1.382 0.000 1.894) 2.345 3.987 ( 1.809 0.000 5.619) 5.903 4.024 ( 0.821 0.000 3.409) 3.506 4.215 ( -1.688 0.000 2.081) 2.680 4.387 ( 1.724 0.000 -1.405) 2.224 5.404 ( 0.179 0.000 -0.346) 0.389 5.552 ( 0.324 0.000 -1.070) 1.118 6.150 ( -1.010 0.000 1.267) 1.620 6.249 ( 0.505 0.000 -0.780) 0.929 6.523 ( -0.694 0.000 0.670) 0.964 6.555 ( 0.543 0.000 -0.330) 0.635 6.633 ( -0.337 0.000 -0.071) 0.344 6.648 ( 0.752 0.000 -0.939) 1.203 6.845 ( -3.043 0.000 3.078) 4.328 7.001 ( 1.475 0.000 -0.853) 1.704 7.150 ( -0.505 0.000 0.343) 0.611 7.157 ( -0.293 0.000 0.364) 0.467 ======================= Grid point 111 (55/126) ======================= q-point: (-0.40 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -9.795 0.000 0.425) 9.805 1.067 ( -8.873 0.000 -1.163) 8.949 1.164 ( -4.144 0.000 1.270) 4.334 1.269 ( -5.381 0.000 -4.767) 7.189 1.384 ( -2.987 0.000 -3.206) 4.381 1.417 ( -2.068 0.000 0.913) 2.260 1.453 ( -3.494 0.000 -3.707) 5.095 1.524 ( -2.988 0.000 -5.319) 6.101 1.675 ( -2.465 0.000 -3.297) 4.117 1.693 ( -4.051 0.000 -7.446) 8.476 1.730 ( -0.914 0.000 -3.728) 3.838 1.850 ( 2.918 0.000 -5.187) 5.952 1.893 ( -1.620 0.000 -1.341) 2.104 2.074 ( 5.439 0.000 -2.217) 5.873 2.089 ( -8.072 0.000 0.262) 8.077 2.186 ( 0.916 0.000 1.032) 1.380 2.254 ( -9.053 0.000 -3.340) 9.649 2.382 ( -1.962 0.000 0.779) 2.111 2.406 ( 0.548 0.000 0.789) 0.961 2.449 ( -1.213 0.000 -1.071) 1.618 2.480 ( 2.958 0.000 2.395) 3.806 2.511 ( -2.188 0.000 -2.720) 3.491 2.677 ( 0.799 0.000 2.093) 2.240 2.682 ( 2.620 0.000 -1.700) 3.123 2.853 ( 1.712 0.000 3.939) 4.295 2.975 ( -2.650 0.000 0.851) 2.783 3.035 ( 1.123 0.000 3.113) 3.310 3.063 ( 2.552 0.000 -4.415) 5.099 3.208 ( -1.218 0.000 -0.539) 1.332 3.310 ( -0.972 0.000 0.622) 1.154 3.363 ( 3.010 0.000 -0.851) 3.128 3.405 ( -0.667 0.000 -3.954) 4.010 3.456 ( 0.680 0.000 -0.692) 0.970 3.504 ( 1.087 0.000 1.278) 1.678 3.557 ( 7.698 0.000 -1.406) 7.826 3.595 ( 3.487 0.000 0.231) 3.494 3.829 ( -1.901 0.000 1.650) 2.517 3.832 ( -0.373 0.000 -0.987) 1.055 4.058 ( 0.596 0.000 2.987) 3.046 4.073 ( 1.040 0.000 2.172) 2.409 4.219 ( -0.693 0.000 1.733) 1.866 4.397 ( 1.640 0.000 -1.449) 2.188 5.405 ( -0.093 0.000 0.523) 0.531 5.539 ( 0.296 0.000 -1.770) 1.794 6.149 ( -1.048 0.000 1.314) 1.681 6.248 ( 0.403 0.000 -0.676) 0.787 6.521 ( -0.522 0.000 0.545) 0.755 6.560 ( 0.509 0.000 -0.194) 0.545 6.626 ( -0.284 0.000 -0.288) 0.405 6.652 ( 0.982 0.000 -0.628) 1.166 6.833 ( -2.905 0.000 2.667) 3.943 7.017 ( 1.619 0.000 -0.604) 1.728 7.145 ( -0.634 0.000 0.380) 0.739 7.155 ( -0.480 0.000 0.342) 0.589 ======================= Grid point 112 (56/126) ======================= q-point: (-0.30 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -14.977 0.000 2.337) 15.159 0.845 ( -16.135 0.000 -1.592) 16.213 1.140 ( -5.543 0.000 -0.781) 5.598 1.171 ( -0.310 0.000 3.649) 3.662 1.332 ( 1.688 0.000 -2.501) 3.017 1.342 ( -10.917 0.000 2.888) 11.292 1.407 ( -1.541 0.000 -0.028) 1.541 1.463 ( -0.128 0.000 -2.445) 2.449 1.549 ( -9.832 0.000 -0.868) 9.870 1.586 ( -2.520 0.000 -0.943) 2.691 1.660 ( -5.482 0.000 -1.512) 5.687 1.834 ( 3.184 0.000 -5.182) 6.083 1.847 ( -4.118 0.000 3.171) 5.198 1.979 ( -3.867 0.000 -1.773) 4.254 2.074 ( -0.418 0.000 -2.573) 2.607 2.108 ( -3.706 0.000 -1.593) 4.034 2.229 ( 1.562 0.000 1.054) 1.885 2.369 ( -4.279 0.000 -3.457) 5.501 2.396 ( 1.448 0.000 0.682) 1.601 2.438 ( 0.366 0.000 -1.927) 1.961 2.477 ( 3.916 0.000 0.846) 4.006 2.569 ( 0.866 0.000 2.984) 3.108 2.699 ( 2.015 0.000 -1.561) 2.549 2.715 ( 2.140 0.000 0.353) 2.169 2.881 ( -1.034 0.000 0.895) 1.367 2.912 ( -4.819 0.000 0.665) 4.865 3.068 ( 0.292 0.000 1.380) 1.411 3.104 ( 2.607 0.000 2.085) 3.338 3.188 ( -0.296 0.000 -0.859) 0.909 3.283 ( -2.410 0.000 -0.999) 2.609 3.356 ( 0.291 0.000 -2.602) 2.618 3.400 ( 1.513 0.000 -0.049) 1.514 3.457 ( 1.170 0.000 -1.624) 2.001 3.530 ( 1.229 0.000 0.400) 1.293 3.650 ( 7.404 0.000 -4.341) 8.583 3.673 ( 5.972 0.000 0.104) 5.973 3.795 ( -2.347 0.000 -0.982) 2.544 3.814 ( -2.467 0.000 1.344) 2.810 4.084 ( 0.077 0.000 1.203) 1.206 4.099 ( 0.496 0.000 -0.088) 0.504 4.231 ( -0.214 0.000 1.004) 1.026 4.402 ( 1.232 0.000 -1.432) 1.889 5.413 ( -0.460 0.000 1.432) 1.504 5.521 ( 0.561 0.000 -2.218) 2.288 6.149 ( -1.084 0.000 1.320) 1.708 6.246 ( 0.336 0.000 -0.596) 0.684 6.520 ( -0.376 0.000 0.472) 0.603 6.565 ( 0.355 0.000 -0.038) 0.357 6.619 ( -0.136 0.000 -0.309) 0.338 6.661 ( 0.998 0.000 -0.426) 1.086 6.821 ( -2.476 0.000 2.405) 3.451 7.034 ( 1.457 0.000 -0.588) 1.571 7.140 ( -0.740 0.000 0.457) 0.870 7.151 ( -0.635 0.000 0.333) 0.717 ======================= Grid point 113 (57/126) ======================= q-point: (-0.20 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -17.386 0.000 2.632) 17.584 0.638 ( -16.559 0.000 5.984) 17.607 1.085 ( -11.455 0.000 10.179) 15.324 1.195 ( -14.988 0.000 14.237) 20.672 1.223 ( 0.783 0.000 2.507) 2.626 1.365 ( -5.577 0.000 1.255) 5.717 1.372 ( 4.136 0.000 1.870) 4.539 1.420 ( -1.702 0.000 -1.970) 2.603 1.436 ( -4.445 0.000 1.967) 4.861 1.576 ( -2.807 0.000 0.097) 2.809 1.629 ( 3.650 0.000 5.712) 6.778 1.827 ( 2.772 0.000 -3.794) 4.699 1.846 ( -3.357 0.000 2.722) 4.322 1.931 ( 0.228 0.000 -0.085) 0.243 2.026 ( -2.064 0.000 -1.440) 2.516 2.058 ( -1.996 0.000 -0.802) 2.151 2.196 ( -4.270 0.000 -4.279) 6.045 2.283 ( -2.686 0.000 0.961) 2.853 2.425 ( 2.268 0.000 -0.789) 2.401 2.450 ( 3.899 0.000 -2.723) 4.756 2.568 ( -3.957 0.000 1.930) 4.402 2.581 ( 7.210 0.000 0.811) 7.256 2.709 ( 0.769 0.000 -0.228) 0.803 2.736 ( 0.694 0.000 -1.069) 1.274 2.866 ( -0.192 0.000 -0.838) 0.860 2.894 ( 0.861 0.000 1.909) 2.094 3.095 ( -1.940 0.000 4.524) 4.922 3.124 ( -0.140 0.000 -2.325) 2.329 3.170 ( -0.791 0.000 -0.904) 1.202 3.242 ( -0.056 0.000 -1.624) 1.625 3.362 ( 2.140 0.000 0.414) 2.180 3.387 ( -0.205 0.000 -3.486) 3.492 3.473 ( 1.524 0.000 1.053) 1.852 3.523 ( -0.323 0.000 -4.374) 4.385 3.660 ( 2.116 0.000 -4.712) 5.165 3.743 ( 2.516 0.000 -1.249) 2.809 3.770 ( -2.433 0.000 3.001) 3.864 3.799 ( 0.059 0.000 0.585) 0.588 4.086 ( -0.540 0.000 -1.681) 1.766 4.098 ( 0.587 0.000 0.286) 0.653 4.230 ( -0.702 0.000 0.179) 0.724 4.402 ( 0.945 0.000 -1.229) 1.550 5.424 ( -0.796 0.000 2.011) 2.163 5.506 ( 0.997 0.000 -2.300) 2.507 6.148 ( -1.056 0.000 1.333) 1.701 6.244 ( 0.332 0.000 -0.558) 0.649 6.521 ( -0.252 0.000 0.478) 0.541 6.570 ( 0.154 0.000 0.129) 0.201 6.615 ( 0.024 0.000 -0.103) 0.105 6.670 ( 0.831 0.000 -0.407) 0.925 6.815 ( -2.011 0.000 2.318) 3.068 7.045 ( 1.036 0.000 -0.772) 1.292 7.134 ( -0.699 0.000 0.599) 0.921 7.145 ( -0.627 0.000 0.459) 0.778 ======================= Grid point 114 (58/126) ======================= q-point: (-0.10 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -8.276 0.000 12.616) 15.088 0.520 ( -9.917 0.000 13.549) 16.791 1.077 ( -11.108 0.000 20.143) 23.003 1.220 ( -2.714 0.000 -0.580) 2.775 1.232 ( -9.322 0.000 16.124) 18.625 1.321 ( -1.546 0.000 4.768) 5.013 1.360 ( -1.491 0.000 -1.079) 1.840 1.422 ( -3.071 0.000 3.107) 4.368 1.522 ( 5.595 0.000 6.106) 8.281 1.597 ( 2.292 0.000 5.078) 5.572 1.750 ( 1.049 0.000 3.099) 3.272 1.802 ( -2.982 0.000 0.374) 3.005 1.833 ( 3.670 0.000 -0.964) 3.794 1.957 ( -0.659 0.000 1.243) 1.407 2.017 ( -0.412 0.000 4.085) 4.106 2.040 ( 0.376 0.000 1.679) 1.721 2.087 ( 0.533 0.000 -5.870) 5.894 2.269 ( -2.074 0.000 2.547) 3.285 2.441 ( 1.472 0.000 -1.854) 2.368 2.469 ( 3.571 0.000 -4.635) 5.851 2.526 ( -3.923 0.000 2.462) 4.632 2.656 ( 1.786 0.000 -1.427) 2.286 2.728 ( -0.442 0.000 0.109) 0.456 2.729 ( 3.449 0.000 -0.910) 3.567 2.864 ( 0.635 0.000 -1.817) 1.924 2.947 ( 2.253 0.000 0.867) 2.414 3.093 ( 0.506 0.000 -0.924) 1.054 3.096 ( -3.857 0.000 3.116) 4.958 3.151 ( -1.094 0.000 0.307) 1.136 3.224 ( 0.159 0.000 -3.242) 3.246 3.336 ( -0.406 0.000 -3.154) 3.180 3.371 ( -2.045 0.000 -2.485) 3.218 3.491 ( 5.195 0.000 -0.800) 5.256 3.514 ( 2.434 0.000 0.176) 2.440 3.648 ( -0.093 0.000 0.189) 0.211 3.733 ( -1.431 0.000 -0.267) 1.456 3.762 ( -2.747 0.000 1.709) 3.235 3.812 ( 1.442 0.000 -1.924) 2.405 4.055 ( 0.154 0.000 -2.554) 2.559 4.100 ( 0.131 0.000 -1.348) 1.354 4.220 ( -0.809 0.000 0.336) 0.876 4.403 ( 1.184 0.000 -1.208) 1.691 5.434 ( -1.033 0.000 1.955) 2.211 5.498 ( 1.434 0.000 -2.066) 2.515 6.148 ( -0.981 0.000 1.363) 1.679 6.243 ( 0.396 0.000 -0.529) 0.661 6.523 ( -0.171 0.000 0.528) 0.555 6.573 ( -0.009 0.000 0.201) 0.201 6.617 ( 0.212 0.000 0.086) 0.229 6.676 ( 0.602 0.000 -0.518) 0.794 6.815 ( -1.761 0.000 2.441) 3.010 7.047 ( 0.555 0.000 -0.967) 1.115 7.133 ( -0.487 0.000 0.786) 0.925 7.144 ( -0.452 0.000 0.664) 0.804 ======================= Grid point 115 (59/126) ======================= q-point: ( 0.00 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -0.433 9.253 11.788) 14.992 0.819 ( 2.838 10.010 13.341) 16.918 1.113 ( -6.058 -3.134 1.347) 6.953 1.156 ( -2.655 -2.151 5.879) 6.799 1.270 ( -1.287 -3.630 2.446) 4.563 1.387 ( 0.510 3.820 8.413) 9.253 1.429 ( 0.926 3.638 5.637) 6.772 1.447 ( -1.036 3.945 14.643) 15.200 1.604 ( -0.015 -0.101 2.894) 2.895 1.694 ( 4.066 -1.925 2.694) 5.243 1.782 ( -1.970 -0.709 4.657) 5.106 1.829 ( 5.211 -3.629 2.036) 6.668 1.925 ( 3.181 0.077 1.348) 3.456 1.944 ( -0.532 4.270 4.186) 6.004 2.009 ( 0.786 -1.335 1.351) 2.055 2.085 ( 1.494 -0.693 0.615) 1.758 2.158 ( 3.070 0.212 0.437) 3.108 2.258 ( 2.239 -4.105 6.348) 7.884 2.357 ( 0.946 -3.131 -2.527) 4.133 2.422 ( -0.532 -5.427 2.218) 5.887 2.524 ( -0.626 2.660 -1.494) 3.115 2.678 ( -1.482 2.977 -0.144) 3.329 2.711 ( 0.076 0.045 -1.278) 1.281 2.765 ( -2.382 -1.385 -1.023) 2.939 2.832 ( 0.979 1.074 -1.933) 2.418 2.922 ( -4.554 -0.971 -0.404) 4.674 3.049 ( 0.925 -2.819 -1.770) 3.455 3.068 ( -1.404 -0.862 -2.352) 2.872 3.142 ( 0.571 0.158 0.645) 0.876 3.179 ( -0.484 -0.161 0.393) 0.644 3.340 ( 2.966 0.633 -0.300) 3.048 3.380 ( -0.598 2.159 -0.984) 2.447 3.521 ( 1.518 -0.335 -0.616) 1.672 3.566 ( 5.055 -0.371 -4.065) 6.498 3.664 ( 3.414 -0.410 -0.520) 3.478 3.696 ( -1.492 -0.569 -0.745) 1.762 3.754 ( -3.487 2.063 0.704) 4.112 3.797 ( -0.977 -0.470 0.648) 1.263 3.998 ( 0.472 -1.953 -3.977) 4.455 4.072 ( -1.065 0.240 -2.272) 2.521 4.228 ( -0.921 0.918 0.297) 1.334 4.404 ( 1.833 -0.410 -1.848) 2.635 5.435 ( -1.091 -0.168 1.382) 1.768 5.500 ( 1.702 -0.105 -1.602) 2.339 6.149 ( -0.919 -0.064 1.248) 1.551 6.241 ( 0.460 -0.238 -0.413) 0.663 6.525 ( -0.289 -0.191 0.891) 0.956 6.581 ( 0.025 0.587 -0.025) 0.588 6.627 ( 0.173 0.457 0.030) 0.489 6.668 ( 0.396 -0.816 -0.691) 1.140 6.820 ( -1.817 0.129 2.746) 3.295 7.035 ( 0.236 -0.346 -1.163) 1.236 7.139 ( -0.240 0.075 0.902) 0.937 7.145 ( -0.349 -0.132 0.823) 0.903 ======================= Grid point 116 (60/126) ======================= q-point: ( 0.10 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 4.734 4.602 11.079) 12.897 1.009 ( 3.396 3.349 7.047) 8.509 1.086 ( -0.170 0.030 7.249) 7.251 1.203 ( 0.684 2.194 2.776) 3.604 1.291 ( 1.122 -4.774 2.992) 5.745 1.419 ( -0.023 3.532 2.343) 4.238 1.507 ( 2.021 2.806 3.844) 5.170 1.576 ( -1.103 -0.065 0.040) 1.106 1.691 ( 4.862 3.518 7.781) 9.826 1.778 ( 1.044 -0.693 3.274) 3.505 1.833 ( 3.577 0.121 2.703) 4.485 1.922 ( 1.505 -0.660 2.471) 2.967 1.972 ( 4.739 -0.645 0.831) 4.854 2.031 ( 3.850 0.866 2.141) 4.490 2.074 ( 3.155 0.415 2.650) 4.142 2.123 ( 1.219 -3.297 2.922) 4.572 2.179 ( 0.817 -0.454 -0.026) 0.935 2.313 ( 0.411 -3.584 0.722) 3.679 2.401 ( 1.163 -0.673 5.480) 5.643 2.472 ( 0.554 -0.819 0.659) 1.188 2.536 ( 3.511 -1.640 2.981) 4.889 2.642 ( -3.914 2.648 1.412) 4.932 2.677 ( -3.582 -0.233 -1.536) 3.904 2.703 ( -0.812 -1.314 -0.096) 1.548 2.808 ( -4.717 0.560 -2.091) 5.190 2.856 ( -1.280 3.136 -1.424) 3.674 2.982 ( -2.152 -3.856 -0.567) 4.453 3.047 ( 3.113 -0.713 -6.257) 7.025 3.186 ( 2.782 -1.422 1.869) 3.641 3.200 ( 0.614 -0.641 1.300) 1.574 3.335 ( -1.060 -0.510 -1.919) 2.251 3.415 ( 3.527 1.391 0.175) 3.796 3.525 ( 1.416 1.290 -1.561) 2.471 3.566 ( 1.830 1.060 -4.676) 5.132 3.637 ( -1.494 0.326 -3.663) 3.970 3.692 ( -1.669 1.110 0.906) 2.199 3.744 ( 2.180 -1.502 0.149) 2.652 3.800 ( -1.026 0.212 2.120) 2.365 3.950 ( -0.618 -2.081 -4.039) 4.586 4.022 ( -1.505 0.709 -2.815) 3.270 4.213 ( -1.673 0.080 0.664) 1.802 4.406 ( 1.656 -0.303 -2.394) 2.927 5.432 ( -0.802 -0.107 0.541) 0.974 5.510 ( 1.744 -0.092 -1.049) 2.037 6.150 ( -0.923 -0.117 1.274) 1.577 6.243 ( 0.547 -0.209 -0.489) 0.763 6.530 ( -0.440 -0.018 0.923) 1.023 6.579 ( -0.070 0.793 -0.271) 0.840 6.630 ( 0.185 0.168 0.042) 0.253 6.665 ( 0.315 -0.831 -0.803) 1.198 6.827 ( -1.932 0.011 3.268) 3.796 7.022 ( 0.151 -0.225 -1.398) 1.424 7.147 ( -0.195 0.083 0.872) 0.898 7.149 ( -0.316 -0.029 0.765) 0.828 ======================= Grid point 117 (61/126) ======================= q-point: ( 0.20 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 1.196 2.728 6.371) 7.033 1.143 ( 1.892 4.707 4.405) 6.718 1.173 ( 1.899 2.346 4.274) 5.232 1.270 ( 3.378 -2.137 3.721) 5.461 1.375 ( 3.783 -0.007 4.003) 5.508 1.492 ( 6.058 -0.928 2.028) 6.455 1.563 ( 1.533 2.293 1.444) 3.114 1.602 ( 3.556 2.619 2.441) 5.046 1.730 ( -1.475 0.760 -1.439) 2.196 1.828 ( 2.900 -4.019 -1.708) 5.242 1.906 ( 0.546 -2.830 1.926) 3.466 1.968 ( 3.238 0.462 -0.292) 3.284 2.026 ( 1.265 2.198 -0.524) 2.589 2.110 ( 5.189 0.116 -0.891) 5.267 2.144 ( 4.321 -1.636 0.259) 4.628 2.168 ( 2.136 -1.054 -0.324) 2.404 2.233 ( 1.463 -0.856 4.671) 4.969 2.366 ( 0.763 -0.485 4.778) 4.863 2.422 ( -1.011 1.085 -1.489) 2.102 2.504 ( -0.658 -0.001 2.906) 2.980 2.560 ( -3.746 -0.918 -1.681) 4.207 2.590 ( -1.632 0.331 1.569) 2.288 2.642 ( -0.758 1.812 2.997) 3.583 2.688 ( -3.137 1.512 -1.073) 3.644 2.770 ( -0.541 1.015 0.019) 1.151 2.802 ( 0.744 2.159 0.690) 2.386 2.998 ( 2.230 -4.084 0.951) 4.749 3.027 ( 5.432 -1.511 -7.920) 9.722 3.193 ( -1.894 -3.266 -0.909) 3.884 3.257 ( 3.609 -2.042 0.337) 4.160 3.307 ( 0.832 -0.080 -0.931) 1.251 3.427 ( -1.373 2.998 -2.852) 4.359 3.522 ( -0.375 0.775 0.072) 0.864 3.540 ( 2.041 1.508 -1.879) 3.158 3.596 ( 0.626 -0.322 -2.323) 2.428 3.689 ( -0.502 1.910 0.615) 2.069 3.765 ( -0.270 -1.092 1.059) 1.545 3.803 ( -0.658 0.111 -0.600) 0.898 3.900 ( -1.544 -1.254 0.083) 1.991 3.957 ( -2.548 0.705 -2.762) 3.824 4.197 ( -2.052 -0.937 1.596) 2.763 4.400 ( 1.315 0.097 -2.261) 2.617 5.424 ( -0.342 -0.027 -0.265) 0.433 5.526 ( 1.535 -0.084 -0.532) 1.627 6.151 ( -0.955 -0.108 1.251) 1.577 6.245 ( 0.610 -0.232 -0.609) 0.893 6.532 ( -0.677 0.114 0.909) 1.139 6.573 ( -0.041 0.985 -0.496) 1.103 6.633 ( 0.149 -0.068 0.039) 0.168 6.659 ( 0.265 -0.758 -0.894) 1.202 6.838 ( -2.167 -0.073 3.673) 4.266 7.009 ( 0.338 -0.019 -1.483) 1.521 7.152 ( -0.340 0.061 0.657) 0.743 7.153 ( -0.216 0.053 0.624) 0.663 ======================= Grid point 118 (62/126) ======================= q-point: ( 0.30 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -2.615 2.787 1.976) 4.303 1.153 ( -1.201 2.906 3.058) 4.387 1.304 ( 4.936 -1.751 3.826) 6.486 1.349 ( 2.531 -0.922 1.896) 3.294 1.455 ( 2.129 0.568 0.691) 2.309 1.581 ( 1.897 2.711 -0.126) 3.311 1.638 ( 6.494 0.539 0.063) 6.517 1.678 ( 2.741 1.817 -2.732) 4.275 1.723 ( 4.355 -2.097 0.997) 4.936 1.821 ( -1.406 0.409 0.130) 1.470 1.897 ( -0.153 -2.962 -1.913) 3.530 1.981 ( 0.580 0.896 -1.742) 2.043 2.060 ( 1.886 0.193 0.403) 1.938 2.137 ( -0.387 -1.426 -2.112) 2.578 2.177 ( 0.294 0.168 -1.041) 1.094 2.201 ( 3.655 0.737 -3.641) 5.211 2.288 ( 2.627 -2.071 0.556) 3.391 2.331 ( -0.872 -0.941 -2.408) 2.729 2.429 ( -4.014 0.249 0.916) 4.125 2.456 ( -3.222 1.686 1.560) 3.957 2.533 ( -0.175 -0.837 1.452) 1.685 2.587 ( -2.107 1.644 1.632) 3.132 2.631 ( -0.023 1.109 -3.389) 3.566 2.712 ( -0.983 2.889 0.550) 3.101 2.757 ( 3.902 -0.103 4.565) 6.006 2.883 ( 5.592 3.781 -0.866) 6.806 2.994 ( 3.187 -3.256 -7.746) 8.986 3.075 ( 3.454 -3.256 3.830) 6.099 3.142 ( 1.625 -2.544 -6.052) 6.764 3.269 ( -1.464 0.786 -2.485) 2.989 3.338 ( 1.947 -0.494 0.734) 2.139 3.365 ( -0.110 0.197 -1.140) 1.162 3.533 ( 0.700 -0.210 -2.781) 2.876 3.539 ( -0.347 0.221 -0.003) 0.411 3.595 ( -0.282 -0.036 1.356) 1.386 3.652 ( -1.980 1.349 -3.936) 4.608 3.764 ( -2.116 -0.006 2.693) 3.425 3.794 ( -0.269 0.639 2.066) 2.179 3.893 ( -2.832 0.501 1.041) 3.059 3.921 ( 0.609 0.023 2.704) 2.771 4.189 ( -2.128 -1.779 2.317) 3.615 4.396 ( 1.318 0.714 -1.747) 2.302 5.416 ( 0.054 0.028 -0.779) 0.781 5.543 ( 1.140 -0.079 -0.281) 1.177 6.151 ( -0.988 -0.076 1.209) 1.563 6.247 ( 0.621 -0.262 -0.722) 0.988 6.531 ( -0.809 0.196 0.863) 1.199 6.568 ( 0.145 1.120 -0.533) 1.249 6.635 ( 0.086 -0.265 -0.074) 0.288 6.652 ( 0.240 -0.581 -0.886) 1.086 6.846 ( -2.517 -0.144 3.735) 4.506 6.999 ( 0.691 0.192 -1.399) 1.573 7.153 ( -0.403 0.019 0.457) 0.610 7.156 ( -0.210 0.081 0.461) 0.513 ======================= Grid point 119 (63/126) ======================= q-point: ( 0.40 0.25 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -2.394 0.434 0.690) 2.529 1.167 ( -2.050 -0.408 2.885) 3.563 1.361 ( -0.779 0.237 -0.234) 0.848 1.389 ( 0.882 -2.119 0.101) 2.297 1.453 ( -0.291 -0.346 -1.447) 1.516 1.578 ( -4.445 0.304 -6.032) 7.499 1.657 ( 5.037 1.054 0.926) 5.229 1.690 ( -0.820 0.619 -4.351) 4.470 1.752 ( 2.417 0.086 -3.246) 4.047 1.851 ( 2.584 0.223 -1.824) 3.170 1.882 ( 0.833 1.309 0.981) 1.836 1.963 ( -0.180 1.788 -3.866) 4.264 2.034 ( -2.581 -1.972 -4.517) 5.564 2.067 ( -1.403 1.577 -5.319) 5.723 2.138 ( -0.414 -0.638 -1.790) 1.945 2.198 ( 1.826 2.805 -1.638) 3.727 2.293 ( -0.914 0.511 0.295) 1.088 2.367 ( 0.862 -0.846 3.576) 3.775 2.393 ( -0.336 -1.515 -0.475) 1.623 2.468 ( -1.931 0.295 2.969) 3.554 2.523 ( 2.519 -1.874 -2.670) 4.122 2.577 ( 0.073 1.257 -0.315) 1.298 2.604 ( -0.647 -0.536 1.236) 1.495 2.728 ( 0.966 5.043 0.849) 5.204 2.858 ( 2.144 -1.381 0.117) 2.553 2.891 ( 2.931 -3.495 -6.044) 7.572 2.980 ( 1.320 1.875 -0.710) 2.400 3.081 ( -0.033 1.924 -5.739) 6.053 3.198 ( 5.154 -2.050 1.932) 5.874 3.231 ( 2.945 -0.392 -0.631) 3.037 3.350 ( -0.159 -0.537 -0.689) 0.888 3.384 ( 1.548 -1.190 0.027) 1.952 3.487 ( -1.994 -0.751 -2.294) 3.131 3.504 ( -1.925 -0.692 -2.599) 3.308 3.572 ( -2.691 0.851 -0.546) 2.875 3.590 ( -0.439 0.639 -2.749) 2.856 3.782 ( -0.924 -0.282 3.651) 3.777 3.836 ( 0.537 0.869 3.466) 3.613 3.903 ( 0.208 0.738 4.414) 4.480 3.975 ( 0.574 0.566 4.228) 4.304 4.187 ( -1.928 -2.145 2.593) 3.879 4.399 ( 1.402 1.190 -1.409) 2.316 5.408 ( 0.224 0.044 -0.815) 0.847 5.552 ( 0.689 -0.067 -0.489) 0.847 6.150 ( -0.993 -0.051 1.205) 1.562 6.247 ( 0.568 -0.266 -0.769) 0.992 6.529 ( -0.800 0.246 0.795) 1.155 6.566 ( 0.365 1.177 -0.420) 1.302 6.634 ( 0.050 -0.363 -0.278) 0.460 6.646 ( 0.319 -0.382 -0.773) 0.920 6.848 ( -2.855 -0.196 3.490) 4.513 6.997 ( 1.064 0.278 -1.175) 1.609 7.151 ( -0.478 -0.053 0.362) 0.602 7.158 ( -0.216 0.070 0.355) 0.421 ======================= Grid point 120 (64/126) ======================= q-point: (-0.50 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -2.197 -1.426 1.355) 2.949 1.150 ( -3.829 -2.222 1.116) 4.565 1.287 ( -5.996 -1.753 -2.643) 6.783 1.359 ( -4.266 -2.603 -2.301) 5.501 1.405 ( -3.328 2.041 -3.544) 5.273 1.472 ( -2.283 1.740 -2.444) 3.770 1.546 ( -1.823 -0.651 -6.067) 6.368 1.699 ( 0.257 0.213 -3.717) 3.732 1.746 ( -2.491 0.720 -6.883) 7.355 1.799 ( -1.286 -0.181 -2.854) 3.136 1.859 ( -4.080 0.747 -4.518) 6.133 1.896 ( -0.577 1.852 -2.763) 3.375 1.946 ( 4.679 -1.081 -4.258) 6.418 2.027 ( 0.237 4.035 -3.712) 5.487 2.142 ( 1.250 -1.477 -0.272) 1.953 2.203 ( -0.777 2.562 0.147) 2.681 2.303 ( 0.527 -0.651 0.393) 0.926 2.374 ( -0.590 -0.281 -0.661) 0.929 2.416 ( 0.306 0.466 2.560) 2.620 2.451 ( -1.250 0.290 1.149) 1.723 2.502 ( -2.482 1.383 -1.247) 3.103 2.618 ( 0.977 -0.689 1.608) 2.004 2.665 ( 3.278 -0.986 0.606) 3.476 2.688 ( -2.433 0.130 -2.851) 3.751 2.782 ( -5.187 3.110 0.368) 6.059 2.925 ( 4.887 -2.659 -1.792) 5.845 2.996 ( 1.703 -0.374 0.235) 1.760 3.055 ( 0.299 -1.412 -1.245) 1.906 3.216 ( 2.768 -0.138 -3.209) 4.240 3.318 ( 0.249 0.489 1.587) 1.679 3.366 ( -2.207 -0.745 -1.030) 2.547 3.386 ( 6.559 -0.292 0.143) 6.567 3.439 ( -1.955 -1.753 -0.982) 2.803 3.469 ( 2.745 0.002 -2.744) 3.881 3.528 ( -1.774 0.160 0.154) 1.787 3.571 ( 1.455 0.514 -1.962) 2.496 3.812 ( -0.344 -0.492 2.646) 2.713 3.864 ( -0.843 1.612 1.676) 2.474 3.983 ( 1.652 -0.213 4.994) 5.265 4.032 ( 0.402 0.656 3.892) 3.968 4.193 ( -1.218 -1.666 2.568) 3.295 4.404 ( 1.386 1.165 -1.416) 2.299 5.404 ( 0.147 0.031 -0.326) 0.359 5.551 ( 0.357 -0.051 -1.098) 1.155 6.149 ( -0.980 -0.033 1.253) 1.591 6.246 ( 0.467 -0.258 -0.728) 0.903 6.526 ( -0.719 0.280 0.720) 1.055 6.568 ( 0.458 1.136 -0.300) 1.261 6.630 ( -0.015 -0.271 -0.372) 0.461 6.644 ( 0.597 -0.317 -0.707) 0.978 6.842 ( -2.995 -0.168 3.114) 4.324 7.004 ( 1.343 0.181 -0.879) 1.615 7.147 ( -0.568 -0.134 0.347) 0.679 7.158 ( -0.319 0.017 0.319) 0.451 ======================= Grid point 121 (65/126) ======================= q-point: (-0.40 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -7.448 -0.927 0.398) 7.516 1.045 ( -8.822 -2.145 -1.113) 9.147 1.151 ( -7.740 -0.896 -2.194) 8.095 1.242 ( -3.972 -5.153 -0.962) 6.577 1.318 ( -2.595 1.472 -3.076) 4.285 1.403 ( -3.674 -5.227 -4.289) 7.695 1.476 ( -0.804 4.130 -2.047) 4.679 1.612 ( -1.882 5.149 -4.934) 7.376 1.650 ( -2.213 -0.949 -3.906) 4.589 1.702 ( -3.178 0.663 -5.447) 6.341 1.761 ( -1.232 2.696 -3.547) 4.623 1.882 ( 0.172 1.862 -1.615) 2.470 1.960 ( -2.128 3.173 -1.720) 4.190 2.019 ( 3.774 -3.156 -0.641) 4.961 2.122 ( -3.524 0.143 -2.868) 4.546 2.159 ( -3.784 0.284 -0.191) 3.800 2.249 ( -7.063 -0.237 -1.301) 7.185 2.352 ( -1.730 -2.286 -0.294) 2.881 2.405 ( -1.901 0.437 1.309) 2.349 2.460 ( 0.327 1.380 -0.523) 1.512 2.488 ( -1.153 -0.582 -1.901) 2.298 2.540 ( 0.000 1.890 -0.531) 1.963 2.669 ( 1.280 1.825 0.813) 2.373 2.731 ( 1.094 1.663 1.117) 2.282 2.811 ( 2.196 -2.919 3.167) 4.834 2.982 ( 1.167 -1.354 2.140) 2.788 3.003 ( -1.730 -1.319 1.782) 2.812 3.043 ( 1.918 -1.382 -2.452) 3.405 3.213 ( -0.770 0.775 -1.044) 1.511 3.293 ( -0.197 -1.688 -1.110) 2.030 3.376 ( 1.157 1.017 -0.117) 1.545 3.392 ( -1.908 -2.552 -0.959) 3.327 3.436 ( 2.549 0.988 -3.542) 4.474 3.516 ( 5.352 -1.475 0.120) 5.553 3.554 ( 3.780 1.268 -1.110) 4.138 3.592 ( 3.730 -0.410 0.164) 3.756 3.827 ( -1.390 0.210 1.856) 2.328 3.853 ( -1.595 1.188 -0.135) 1.993 4.051 ( 0.565 -0.431 3.292) 3.368 4.075 ( 0.450 0.052 2.118) 2.166 4.212 ( -0.129 -0.509 2.262) 2.322 4.406 ( 1.202 0.658 -1.650) 2.145 5.406 ( -0.114 0.014 0.526) 0.538 5.538 ( 0.297 -0.052 -1.777) 1.802 6.149 ( -0.982 0.006 1.290) 1.621 6.244 ( 0.349 -0.275 -0.646) 0.784 6.524 ( -0.656 0.260 0.617) 0.937 6.572 ( 0.405 0.975 -0.202) 1.074 6.625 ( -0.029 -0.042 -0.401) 0.404 6.648 ( 0.879 -0.378 -0.578) 1.118 6.832 ( -2.821 -0.026 2.754) 3.942 7.016 ( 1.418 -0.053 -0.639) 1.556 7.142 ( -0.660 -0.199 0.387) 0.791 7.155 ( -0.505 -0.044 0.305) 0.592 ======================= Grid point 122 (66/126) ======================= q-point: (-0.30 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -14.216 0.633 -1.225) 14.283 0.905 ( -12.409 2.640 3.690) 13.213 1.059 ( -3.586 -5.369 1.467) 6.621 1.190 ( -5.011 -3.440 2.836) 6.708 1.271 ( 0.438 -0.721 -1.354) 1.595 1.329 ( -1.430 -3.922 -0.498) 4.204 1.456 ( -2.418 4.050 0.920) 4.806 1.514 ( -3.721 4.242 -3.271) 6.522 1.564 ( -6.340 2.578 -0.838) 6.895 1.636 ( -2.260 2.235 -1.618) 3.567 1.697 ( -1.852 3.116 -1.728) 4.016 1.776 ( -9.876 1.799 -2.236) 10.285 1.916 ( -1.841 0.435 -0.082) 1.893 1.996 ( -2.870 0.117 -2.568) 3.853 2.050 ( 1.007 -0.413 -0.810) 1.357 2.111 ( -2.849 -1.228 -0.232) 3.111 2.200 ( -1.326 -1.293 1.145) 2.177 2.316 ( -1.300 -6.566 -1.867) 6.949 2.369 ( -3.894 -0.721 -0.665) 4.016 2.420 ( -0.661 -0.668 -1.515) 1.782 2.489 ( 4.254 0.755 -0.934) 4.421 2.583 ( 0.702 0.643 1.993) 2.208 2.696 ( 2.105 1.101 -0.363) 2.403 2.755 ( -0.381 1.069 0.890) 1.442 2.852 ( 1.646 1.734 0.214) 2.401 2.980 ( -3.894 2.673 3.325) 5.776 3.027 ( 0.673 -2.953 1.853) 3.551 3.069 ( 1.745 -3.148 0.503) 3.635 3.186 ( -0.247 0.706 -1.410) 1.596 3.275 ( -0.687 -2.362 -1.790) 3.042 3.348 ( -0.165 0.287 -2.183) 2.208 3.388 ( 0.377 -2.168 1.417) 2.617 3.454 ( 2.820 1.747 -2.574) 4.199 3.552 ( 1.782 0.004 -2.139) 2.784 3.619 ( 5.991 -1.204 -2.092) 6.459 3.668 ( 5.133 -0.698 -0.298) 5.189 3.804 ( -3.016 1.084 1.051) 3.373 3.828 ( -2.151 0.673 0.639) 2.343 4.076 ( -0.206 -0.263 0.650) 0.731 4.100 ( 0.356 -0.272 1.055) 1.146 4.235 ( 0.085 0.327 1.288) 1.332 4.402 ( 0.953 0.011 -1.710) 1.957 5.413 ( -0.474 -0.008 1.398) 1.476 5.521 ( 0.535 -0.074 -2.207) 2.272 6.149 ( -0.988 0.071 1.266) 1.608 6.242 ( 0.271 -0.325 -0.564) 0.705 6.521 ( -0.632 0.108 0.537) 0.836 6.575 ( 0.282 0.729 -0.099) 0.788 6.621 ( 0.079 0.296 -0.299) 0.428 6.656 ( 0.926 -0.504 -0.454) 1.148 6.823 ( -2.403 0.162 2.486) 3.461 7.030 ( 1.238 -0.317 -0.561) 1.396 7.137 ( -0.670 -0.185 0.464) 0.836 7.150 ( -0.669 -0.087 0.328) 0.750 ======================= Grid point 123 (67/126) ======================= q-point: (-0.20 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -10.285 7.969 6.336) 14.472 0.783 ( -13.058 7.975 8.711) 17.607 1.067 ( -4.278 -5.453 9.326) 11.620 1.163 ( -4.835 -6.151 4.743) 9.149 1.265 ( -5.950 0.596 4.961) 7.770 1.298 ( -7.003 2.635 2.311) 7.831 1.368 ( -5.615 3.966 2.818) 7.430 1.426 ( -3.129 2.144 0.298) 3.805 1.539 ( -2.928 0.885 3.308) 4.505 1.550 ( -1.331 3.786 0.171) 4.017 1.672 ( 0.731 -0.906 0.406) 1.233 1.737 ( 3.515 -0.997 0.213) 3.660 1.875 ( -3.556 -1.797 -0.914) 4.088 1.951 ( -1.480 -0.614 1.358) 2.100 2.031 ( -2.553 0.051 -1.491) 2.957 2.071 ( -1.977 1.548 0.336) 2.533 2.176 ( -1.847 -2.894 -1.112) 3.609 2.238 ( -5.125 -1.764 -0.445) 5.438 2.363 ( 1.934 -7.255 0.472) 7.523 2.407 ( 1.527 -1.237 -2.231) 2.973 2.554 ( 4.252 1.119 -1.682) 4.707 2.615 ( 2.180 0.340 1.156) 2.491 2.712 ( 0.699 0.861 0.034) 1.110 2.757 ( 0.990 2.452 -0.835) 2.773 2.883 ( 1.113 3.186 0.778) 3.464 2.956 ( -2.193 1.533 0.826) 2.800 3.044 ( -1.788 -3.097 2.231) 4.215 3.084 ( -1.510 -3.612 2.288) 4.535 3.164 ( 0.646 1.165 -3.251) 3.513 3.241 ( -0.280 -2.045 -2.464) 3.214 3.357 ( 3.237 0.149 -0.373) 3.262 3.418 ( 1.898 0.998 -1.552) 2.648 3.446 ( -0.410 -0.529 -0.012) 0.670 3.528 ( -0.072 -0.583 -4.026) 4.068 3.652 ( 1.910 0.074 -2.016) 2.777 3.723 ( 1.969 -1.360 -0.623) 2.473 3.792 ( -1.937 1.448 2.234) 3.292 3.804 ( -0.706 0.196 0.558) 0.921 4.065 ( -0.312 -0.929 -1.681) 1.946 4.110 ( -0.091 0.298 0.442) 0.541 4.242 ( -0.418 0.886 0.374) 1.048 4.397 ( 0.940 -0.406 -1.413) 1.745 5.423 ( -0.834 -0.064 1.947) 2.119 5.505 ( 0.967 -0.101 -2.280) 2.479 6.149 ( -0.972 0.100 1.212) 1.557 6.240 ( 0.281 -0.350 -0.483) 0.659 6.518 ( -0.543 -0.134 0.606) 0.825 6.578 ( 0.146 0.508 -0.020) 0.529 6.621 ( 0.184 0.627 -0.074) 0.658 6.664 ( 0.783 -0.636 -0.455) 1.107 6.818 ( -1.999 0.271 2.346) 3.094 7.039 ( 0.904 -0.454 -0.641) 1.198 7.134 ( -0.555 -0.097 0.569) 0.801 7.144 ( -0.680 -0.114 0.472) 0.835 ======================= Grid point 124 (68/126) ======================= q-point: (-0.10 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -2.895 12.527 12.630) 18.023 0.694 ( -10.197 15.070 8.346) 20.018 1.104 ( -6.341 -2.612 13.144) 14.826 1.189 ( -7.795 -2.944 8.237) 11.716 1.228 ( -6.955 -2.351 13.416) 15.294 1.273 ( -0.518 -0.863 2.105) 2.334 1.352 ( -2.065 3.705 4.812) 6.415 1.430 ( 0.194 -0.592 -0.107) 0.632 1.511 ( 0.027 3.233 4.738) 5.736 1.635 ( 1.348 0.492 5.324) 5.514 1.719 ( 3.368 -3.532 1.743) 5.182 1.791 ( 1.171 -0.863 -0.605) 1.576 1.843 ( 0.523 -1.285 2.772) 3.100 1.961 ( -1.598 0.656 1.806) 2.499 1.984 ( -1.969 -2.811 2.680) 4.354 2.055 ( -0.792 2.259 1.853) 3.027 2.124 ( 0.593 2.456 -3.330) 4.180 2.206 ( -1.561 -4.596 2.618) 5.515 2.378 ( 1.115 -4.433 -2.425) 5.174 2.414 ( 1.100 -4.703 -0.423) 4.848 2.554 ( -0.648 2.678 -1.299) 3.046 2.670 ( 4.136 0.417 -1.919) 4.578 2.723 ( -0.164 1.529 -0.159) 1.546 2.763 ( 1.362 2.044 -0.497) 2.506 2.881 ( -1.551 0.716 -1.507) 2.278 2.950 ( -0.251 -1.954 1.134) 2.273 3.036 ( -1.322 -1.637 1.545) 2.611 3.094 ( -0.140 -2.299 0.910) 2.476 3.138 ( -0.103 1.392 -1.161) 1.816 3.209 ( -0.360 -1.685 -2.206) 2.800 3.350 ( -1.306 -0.751 -3.697) 3.992 3.408 ( 0.536 3.495 -2.217) 4.174 3.478 ( 3.283 -0.172 0.961) 3.425 3.515 ( 2.900 -0.884 -0.270) 3.044 3.647 ( 0.239 0.523 -0.874) 1.046 3.720 ( -0.864 -1.082 -0.223) 1.402 3.780 ( -2.761 1.126 2.438) 3.852 3.811 ( 0.678 0.103 -1.363) 1.526 4.034 ( 0.015 -1.418 -2.867) 3.198 4.104 ( -0.449 0.091 -1.019) 1.117 4.236 ( -0.632 1.242 0.224) 1.411 4.398 ( 1.344 -0.445 -1.338) 1.948 5.432 ( -1.079 -0.148 1.942) 2.226 5.497 ( 1.414 -0.112 -2.047) 2.490 6.149 ( -0.941 0.037 1.204) 1.529 6.239 ( 0.363 -0.307 -0.416) 0.632 6.519 ( -0.366 -0.269 0.774) 0.897 6.580 ( 0.086 0.460 0.047) 0.471 6.624 ( 0.188 0.684 0.037) 0.711 6.669 ( 0.565 -0.743 -0.564) 1.091 6.818 ( -1.811 0.245 2.408) 3.023 7.041 ( 0.540 -0.421 -0.862) 1.101 7.134 ( -0.391 0.007 0.738) 0.835 7.142 ( -0.499 -0.152 0.708) 0.880 ======================= Grid point 125 (69/126) ======================= q-point: ( 0.00 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -3.348 -0.000 7.852) 8.536 0.933 ( -1.580 0.000 6.733) 6.916 1.017 ( -4.671 -0.000 8.808) 9.970 1.084 ( -2.594 0.000 12.172) 12.446 1.238 ( -0.730 0.000 -0.552) 0.915 1.425 ( 2.674 0.000 1.935) 3.301 1.508 ( 1.172 -0.000 7.583) 7.673 1.555 ( -1.738 0.000 8.812) 8.982 1.643 ( 2.037 0.000 3.167) 3.765 1.659 ( 5.463 -0.000 10.254) 11.619 1.672 ( 0.608 0.000 3.936) 3.983 1.831 ( 4.023 0.000 4.391) 5.955 1.842 ( -0.331 -0.000 2.118) 2.144 1.997 ( 0.778 -0.000 1.096) 1.344 2.061 ( -0.383 0.000 5.826) 5.838 2.104 ( 0.330 0.000 1.726) 1.757 2.128 ( 3.217 -0.000 -2.528) 4.092 2.171 ( 1.809 0.000 2.377) 2.987 2.347 ( 1.434 -0.000 4.720) 4.933 2.347 ( -1.000 0.000 -1.035) 1.440 2.556 ( -0.203 0.000 -2.587) 2.595 2.705 ( 1.615 -0.000 -1.920) 2.509 2.734 ( -5.717 0.000 -0.230) 5.722 2.741 ( -1.785 -0.000 0.524) 1.860 2.837 ( 1.087 0.000 -2.473) 2.701 2.901 ( -1.917 -0.000 1.151) 2.236 3.027 ( -1.022 0.000 -2.877) 3.053 3.063 ( -0.476 0.000 -1.233) 1.322 3.131 ( -0.555 0.000 -0.167) 0.580 3.181 ( 0.700 -0.000 -0.170) 0.721 3.344 ( 4.697 -0.000 -0.119) 4.698 3.405 ( -3.369 0.000 -1.537) 3.703 3.539 ( 4.375 -0.000 -1.856) 4.753 3.541 ( 4.513 0.000 -2.540) 5.179 3.665 ( 1.962 0.000 -0.424) 2.007 3.688 ( -1.018 -0.000 -0.475) 1.124 3.781 ( -3.648 -0.000 -0.247) 3.656 3.788 ( -1.851 0.000 2.799) 3.356 3.975 ( 0.149 0.000 -4.057) 4.060 4.073 ( -1.072 -0.000 -1.781) 2.078 4.240 ( -1.201 0.000 -0.043) 1.202 4.399 ( 1.945 0.000 -1.933) 2.742 5.433 ( -1.059 0.000 1.352) 1.717 5.498 ( 1.691 0.000 -1.569) 2.307 6.148 ( -0.910 0.000 1.145) 1.463 6.238 ( 0.427 -0.000 -0.309) 0.527 6.522 ( -0.342 0.000 1.112) 1.163 6.588 ( 0.231 -0.000 0.009) 0.231 6.638 ( -0.147 -0.000 -0.044) 0.154 6.652 ( 0.507 0.000 -0.799) 0.946 6.822 ( -1.866 0.000 2.672) 3.259 7.031 ( 0.275 -0.000 -1.120) 1.153 7.140 ( -0.228 0.000 0.986) 1.012 7.142 ( -0.366 -0.000 0.879) 0.952 ======================= Grid point 127 (70/126) ======================= q-point: ( 0.10 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.755 0.000 6.083) 6.129 1.018 ( 5.009 -0.000 8.642) 9.988 1.121 ( 3.260 -0.000 8.642) 9.236 1.180 ( -1.370 0.000 9.005) 9.109 1.240 ( 1.767 -0.000 0.563) 1.855 1.498 ( 1.089 0.000 3.095) 3.282 1.549 ( -1.501 0.000 2.061) 2.550 1.567 ( -0.908 -0.000 3.884) 3.989 1.717 ( 5.481 0.000 -1.925) 5.809 1.768 ( 1.038 -0.000 5.586) 5.682 1.815 ( -1.171 0.000 1.666) 2.037 1.930 ( 6.550 -0.000 5.358) 8.462 1.979 ( 5.091 0.000 4.638) 6.887 2.010 ( 3.869 0.000 -0.788) 3.949 2.063 ( 2.115 -0.000 -1.981) 2.898 2.147 ( 4.014 0.000 -3.806) 5.531 2.190 ( -0.226 -0.000 11.196) 11.198 2.217 ( -0.507 0.000 1.966) 2.030 2.385 ( 1.979 -0.000 7.385) 7.646 2.464 ( 2.372 0.000 4.417) 5.014 2.526 ( 0.953 0.000 -1.310) 1.620 2.659 ( -3.996 -0.000 -0.741) 4.064 2.662 ( -3.327 0.000 1.156) 3.522 2.729 ( -2.565 0.000 1.158) 2.814 2.797 ( -1.039 0.000 -3.795) 3.934 2.904 ( 1.590 0.000 0.083) 1.592 2.935 ( -4.918 -0.000 -2.963) 5.741 3.035 ( 2.110 0.000 -5.068) 5.490 3.163 ( 2.522 0.000 1.822) 3.111 3.189 ( -0.580 0.000 0.422) 0.718 3.333 ( -1.949 -0.000 -2.622) 3.267 3.427 ( 4.886 -0.000 -0.063) 4.886 3.561 ( 3.349 -0.000 -4.059) 5.263 3.562 ( 2.810 0.000 -3.147) 4.219 3.641 ( -2.242 0.000 -3.850) 4.455 3.700 ( 0.872 0.000 1.828) 2.026 3.736 ( -2.914 -0.000 2.691) 3.966 3.800 ( -0.504 0.000 2.041) 2.102 3.923 ( -0.845 0.000 -3.638) 3.735 4.029 ( -1.535 0.000 -2.456) 2.896 4.214 ( -2.063 0.000 0.110) 2.066 4.402 ( 1.786 0.000 -2.290) 2.904 5.430 ( -0.767 0.000 0.568) 0.954 5.509 ( 1.759 0.000 -1.052) 2.049 6.149 ( -0.911 0.000 1.242) 1.540 6.240 ( 0.499 -0.000 -0.430) 0.659 6.530 ( -0.428 0.000 1.074) 1.156 6.591 ( 0.128 -0.000 -0.149) 0.197 6.635 ( -0.004 -0.000 -0.323) 0.324 6.650 ( 0.342 -0.000 -0.630) 0.717 6.828 ( -1.938 0.000 3.165) 3.711 7.020 ( 0.241 -0.000 -1.334) 1.356 7.148 ( -0.259 0.000 0.842) 0.881 7.148 ( -0.271 -0.000 0.933) 0.971 ======================= Grid point 129 (71/126) ======================= q-point: ( 0.20 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.235 -0.000 8.167) 8.170 1.191 ( 0.663 -0.000 6.393) 6.427 1.205 ( 0.679 0.000 2.011) 2.122 1.272 ( 4.388 0.000 6.359) 7.726 1.349 ( 6.534 -0.000 2.531) 7.007 1.515 ( 2.120 0.000 1.080) 2.379 1.588 ( 0.929 0.000 1.590) 1.841 1.610 ( 2.855 -0.000 1.812) 3.381 1.761 ( 3.040 -0.000 -2.555) 3.971 1.816 ( -0.668 0.000 1.246) 1.414 1.818 ( 0.609 -0.000 2.785) 2.851 1.959 ( 2.618 0.000 -3.333) 4.238 2.053 ( 0.419 -0.000 0.840) 0.939 2.102 ( 6.732 -0.000 -0.665) 6.764 2.117 ( 3.945 -0.000 -1.696) 4.294 2.161 ( 1.608 0.000 -0.244) 1.627 2.246 ( 2.217 -0.000 1.927) 2.937 2.356 ( 0.396 0.000 7.321) 7.331 2.437 ( -1.268 0.000 -0.037) 1.268 2.513 ( -0.159 -0.000 5.564) 5.566 2.531 ( -2.553 0.000 -1.578) 3.001 2.612 ( 0.376 0.000 1.343) 1.395 2.678 ( 2.386 -0.000 -2.210) 3.252 2.688 ( -4.518 0.000 2.472) 5.150 2.774 ( 2.146 0.000 1.694) 2.734 2.840 ( -3.937 0.000 0.497) 3.968 2.943 ( 2.442 0.000 1.030) 2.650 3.007 ( 4.667 0.000 -8.975) 10.116 3.156 ( -2.046 -0.000 -1.878) 2.777 3.229 ( 3.121 0.000 1.319) 3.388 3.311 ( 1.764 -0.000 -0.970) 2.013 3.457 ( -0.235 -0.000 -3.177) 3.186 3.536 ( -0.847 0.000 -1.193) 1.464 3.552 ( 2.073 -0.000 -4.235) 4.715 3.592 ( -0.510 0.000 0.005) 0.510 3.722 ( -0.836 0.000 1.261) 1.513 3.752 ( 0.602 -0.000 2.640) 2.708 3.795 ( -0.873 0.000 -2.500) 2.648 3.888 ( -1.577 -0.000 2.501) 2.957 3.964 ( -2.631 0.000 -3.046) 4.025 4.185 ( -2.521 0.000 1.168) 2.778 4.401 ( 1.596 0.000 -2.075) 2.618 5.424 ( -0.322 0.000 -0.217) 0.388 5.525 ( 1.571 0.000 -0.572) 1.672 6.149 ( -0.943 0.000 1.266) 1.579 6.242 ( 0.554 0.000 -0.575) 0.799 6.534 ( -0.648 0.000 0.983) 1.177 6.589 ( 0.055 0.000 -0.348) 0.352 6.631 ( 0.272 0.000 -0.658) 0.712 6.648 ( 0.136 -0.000 -0.374) 0.398 6.837 ( -2.149 0.000 3.566) 4.163 7.008 ( 0.460 0.000 -1.392) 1.466 7.153 ( -0.383 -0.000 0.712) 0.809 7.154 ( -0.225 0.000 0.663) 0.700 ======================= Grid point 131 (72/126) ======================= q-point: ( 0.30 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -4.344 0.000 4.687) 6.391 1.183 ( -5.892 0.000 2.874) 6.556 1.267 ( 2.955 -0.000 3.777) 4.796 1.408 ( 2.441 0.000 -1.665) 2.955 1.414 ( 4.856 -0.000 1.796) 5.177 1.609 ( 2.549 0.000 1.321) 2.871 1.652 ( 2.434 0.000 0.068) 2.435 1.662 ( 6.617 -0.000 0.178) 6.619 1.764 ( 2.078 -0.000 -2.378) 3.158 1.812 ( 1.748 0.000 -1.820) 2.523 1.861 ( 0.347 -0.000 2.248) 2.274 1.981 ( 3.598 0.000 -1.839) 4.041 2.054 ( -0.637 0.000 -0.540) 0.835 2.114 ( 0.661 -0.000 -1.834) 1.950 2.188 ( 0.260 0.000 1.873) 1.891 2.192 ( 3.474 -0.000 -3.841) 5.179 2.289 ( 1.796 -0.000 -0.682) 1.921 2.295 ( -0.147 0.000 -1.713) 1.719 2.440 ( -4.304 0.000 -1.993) 4.744 2.489 ( -4.260 0.000 0.941) 4.363 2.520 ( 0.628 0.000 3.784) 3.836 2.609 ( -2.860 -0.000 0.945) 3.012 2.652 ( 0.695 -0.000 -5.456) 5.500 2.748 ( 4.212 0.000 3.706) 5.610 2.749 ( -1.747 -0.000 -0.018) 1.747 2.940 ( 1.357 0.000 -8.772) 8.877 2.960 ( 7.625 -0.000 7.107) 10.424 3.010 ( 3.619 0.000 0.110) 3.620 3.120 ( 3.700 0.000 -4.868) 6.115 3.265 ( -0.518 0.000 -1.268) 1.369 3.339 ( 1.711 -0.000 0.158) 1.719 3.369 ( -1.893 0.000 -3.391) 3.884 3.526 ( 0.410 -0.000 -3.544) 3.568 3.541 ( -1.199 0.000 0.404) 1.266 3.596 ( -0.285 0.000 2.155) 2.174 3.671 ( -1.956 0.000 -5.502) 5.840 3.767 ( -2.722 0.000 3.628) 4.535 3.799 ( 0.425 0.000 2.918) 2.949 3.898 ( -1.439 0.000 -1.130) 1.830 3.924 ( -0.301 -0.000 4.984) 4.993 4.167 ( -2.543 0.000 2.178) 3.348 4.404 ( 1.635 0.000 -1.554) 2.255 5.416 ( 0.048 0.000 -0.735) 0.736 5.542 ( 1.190 0.000 -0.337) 1.237 6.150 ( -0.980 0.000 1.232) 1.574 6.244 ( 0.573 0.000 -0.680) 0.889 6.534 ( -0.781 0.000 0.899) 1.191 6.585 ( 0.131 0.000 -0.413) 0.433 6.628 ( 0.506 0.000 -0.876) 1.011 6.645 ( -0.034 -0.000 -0.216) 0.219 6.845 ( -2.508 0.000 3.644) 4.424 7.002 ( 0.772 0.000 -1.324) 1.532 7.154 ( -0.473 -0.000 0.491) 0.682 7.157 ( -0.211 0.000 0.466) 0.511 ======================= Grid point 133 (73/126) ======================= q-point: ( 0.40 -0.50 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -4.907 0.000 2.429) 5.475 1.123 ( -4.759 -0.000 1.706) 5.056 1.321 ( -0.321 0.000 0.406) 0.517 1.434 ( -1.745 0.000 -2.800) 3.299 1.451 ( 3.662 -0.000 1.122) 3.830 1.598 ( -3.096 0.000 -5.143) 6.003 1.636 ( 2.206 0.000 0.034) 2.206 1.693 ( -2.535 -0.000 -6.511) 6.987 1.767 ( 2.835 0.000 -1.971) 3.453 1.837 ( 1.605 0.000 -1.571) 2.246 1.932 ( 3.502 -0.000 3.023) 4.626 1.980 ( 1.500 0.000 -6.837) 7.000 1.993 ( -4.089 -0.000 -2.327) 4.705 2.102 ( -0.033 -0.000 -0.776) 0.776 2.118 ( -0.493 0.000 -6.155) 6.174 2.213 ( 1.559 0.000 0.776) 1.741 2.315 ( 1.610 -0.000 1.641) 2.299 2.319 ( -0.142 -0.000 -1.626) 1.632 2.435 ( 2.260 0.000 4.660) 5.179 2.449 ( -2.362 -0.000 1.394) 2.743 2.503 ( 1.003 0.000 -4.769) 4.873 2.596 ( -1.387 0.000 -1.408) 1.977 2.598 ( -1.791 -0.000 2.819) 3.340 2.801 ( 4.374 0.000 3.010) 5.309 2.820 ( 1.201 -0.000 -5.585) 5.713 2.842 ( 0.594 -0.000 -2.793) 2.855 3.032 ( 2.209 -0.000 -3.468) 4.112 3.090 ( -2.016 0.000 -2.798) 3.448 3.172 ( 7.238 0.000 -2.648) 7.707 3.216 ( 2.071 -0.000 4.180) 4.665 3.347 ( 0.235 0.000 -1.028) 1.054 3.368 ( 1.959 0.000 -0.336) 1.987 3.476 ( -2.060 -0.000 -2.405) 3.167 3.496 ( -2.278 0.000 -2.594) 3.452 3.587 ( -3.428 -0.000 0.363) 3.447 3.594 ( 0.092 0.000 -3.680) 3.681 3.780 ( -1.460 0.000 3.691) 3.969 3.844 ( 0.560 0.000 4.015) 4.054 3.913 ( 1.269 0.000 2.733) 3.013 3.984 ( -0.080 -0.000 5.376) 5.376 4.160 ( -2.076 -0.000 2.740) 3.437 4.412 ( 1.514 0.000 -1.276) 1.980 5.409 ( 0.198 0.000 -0.785) 0.809 5.552 ( 0.739 -0.000 -0.536) 0.913 6.149 ( -0.982 0.000 1.211) 1.560 6.244 ( 0.530 -0.000 -0.712) 0.887 6.532 ( -0.793 0.000 0.833) 1.150 6.584 ( 0.273 0.000 -0.334) 0.431 6.626 ( 0.627 -0.000 -0.912) 1.107 6.642 ( -0.022 -0.000 -0.242) 0.243 6.846 ( -2.846 0.000 3.449) 4.471 7.001 ( 1.042 0.000 -1.153) 1.554 7.151 ( -0.544 -0.000 0.364) 0.655 7.158 ( -0.235 0.000 0.340) 0.413 ======================= Grid point 135 (74/126) ======================= q-point: (-0.50 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -4.218 0.000 2.053) 4.691 1.083 ( -3.277 -0.000 1.328) 3.535 1.272 ( -3.898 0.000 -2.972) 4.902 1.321 ( -6.979 0.000 -4.180) 8.135 1.458 ( -3.875 0.000 -3.251) 5.058 1.498 ( -5.576 -0.000 -8.721) 10.351 1.542 ( 2.060 0.000 -0.621) 2.151 1.689 ( 1.446 -0.000 -2.966) 3.300 1.766 ( -3.037 0.000 -6.440) 7.120 1.783 ( 2.233 -0.000 -1.585) 2.738 1.860 ( -4.877 0.000 -3.563) 6.040 1.926 ( -4.425 0.000 -3.199) 5.461 1.927 ( 2.974 -0.000 -4.636) 5.508 2.091 ( 0.763 -0.000 -2.534) 2.646 2.101 ( -0.113 0.000 -0.450) 0.464 2.243 ( 1.046 0.000 -0.375) 1.111 2.301 ( -0.808 -0.000 0.200) 0.833 2.346 ( 0.375 0.000 -0.568) 0.681 2.447 ( -0.886 0.000 1.876) 2.074 2.465 ( 1.778 -0.000 1.809) 2.536 2.533 ( -1.107 -0.000 -0.506) 1.217 2.598 ( -3.104 0.000 -0.506) 3.145 2.629 ( 7.416 -0.000 2.110) 7.710 2.688 ( -4.138 0.000 -2.301) 4.735 2.839 ( -5.061 0.000 -0.803) 5.124 2.892 ( 4.943 0.000 -1.189) 5.084 3.008 ( -1.523 -0.000 -1.336) 2.026 3.009 ( 0.750 0.000 0.168) 0.768 3.216 ( 3.915 0.000 -3.844) 5.487 3.327 ( 2.377 0.000 1.128) 2.631 3.357 ( -2.434 0.000 0.042) 2.435 3.377 ( 4.290 0.000 0.432) 4.312 3.417 ( -1.572 -0.000 -2.158) 2.670 3.468 ( 3.883 0.000 -2.204) 4.465 3.533 ( -2.494 -0.000 0.013) 2.494 3.577 ( 1.577 0.000 -2.142) 2.660 3.807 ( -0.194 0.000 2.736) 2.742 3.882 ( -0.939 0.000 2.106) 2.306 3.981 ( 1.574 0.000 4.272) 4.553 4.041 ( -0.246 -0.000 4.261) 4.268 4.172 ( -0.787 -0.000 3.074) 3.173 4.418 ( 1.177 -0.000 -1.410) 1.837 5.405 ( 0.118 0.000 -0.307) 0.329 5.550 ( 0.386 -0.000 -1.126) 1.190 6.149 ( -0.949 0.000 1.239) 1.561 6.243 ( 0.426 0.000 -0.675) 0.799 6.530 ( -0.754 0.000 0.791) 1.093 6.585 ( 0.277 0.000 -0.259) 0.379 6.625 ( 0.607 0.000 -0.797) 1.002 6.640 ( 0.248 -0.000 -0.376) 0.450 6.840 ( -2.947 0.000 3.144) 4.309 7.006 ( 1.214 0.000 -0.905) 1.514 7.146 ( -0.628 0.000 0.332) 0.710 7.158 ( -0.347 0.000 0.292) 0.454 ======================= Grid point 137 (75/126) ======================= q-point: (-0.40 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -4.460 0.000 1.232) 4.627 1.006 ( -8.093 -0.000 -2.122) 8.367 1.143 ( -7.589 0.000 -3.747) 8.463 1.179 ( -6.777 0.000 1.274) 6.896 1.331 ( -4.162 0.000 -4.926) 6.449 1.346 ( -3.022 -0.000 -5.358) 6.151 1.543 ( -0.526 -0.000 -0.956) 1.092 1.608 ( -1.653 0.000 -8.103) 8.270 1.696 ( -4.058 -0.000 -4.564) 6.107 1.708 ( 1.523 0.000 -1.367) 2.047 1.801 ( -3.358 0.000 -3.084) 4.559 1.908 ( 2.391 0.000 3.798) 4.488 1.931 ( 1.783 -0.000 -2.563) 3.122 2.026 ( -4.563 0.000 -1.965) 4.968 2.075 ( -1.728 0.000 -1.681) 2.410 2.218 ( -3.236 -0.000 -2.705) 4.217 2.280 ( -5.366 -0.001 -3.681) 6.508 2.281 ( -3.768 0.001 0.610) 3.817 2.441 ( -1.900 0.000 0.801) 2.062 2.444 ( -4.761 -0.000 -1.751) 5.072 2.491 ( -2.043 0.000 -2.299) 3.076 2.559 ( 2.694 0.000 1.522) 3.094 2.710 ( 1.281 0.000 4.187) 4.379 2.724 ( -3.710 -0.000 0.298) 3.722 2.792 ( 7.487 -0.000 1.809) 7.702 2.945 ( 0.137 0.000 1.381) 1.388 2.983 ( 2.363 0.000 -1.475) 2.785 3.039 ( -1.646 0.000 3.012) 3.433 3.230 ( 2.457 0.000 -2.545) 3.537 3.265 ( -2.995 -0.000 -1.917) 3.556 3.355 ( -2.610 -0.000 0.016) 2.610 3.390 ( 0.987 0.000 -0.969) 1.383 3.470 ( 3.051 -0.000 -3.608) 4.725 3.476 ( 6.308 0.000 -1.164) 6.415 3.575 ( 4.519 -0.000 1.597) 4.793 3.584 ( 2.174 0.000 -1.346) 2.557 3.831 ( -0.373 0.000 1.721) 1.761 3.867 ( -2.875 0.000 0.630) 2.943 4.047 ( 0.713 0.000 3.629) 3.699 4.074 ( -0.346 -0.000 2.061) 2.090 4.206 ( 0.389 -0.000 2.751) 2.779 4.414 ( 0.831 -0.000 -1.810) 1.992 5.406 ( -0.124 0.000 0.527) 0.542 5.538 ( 0.287 -0.000 -1.784) 1.807 6.149 ( -0.915 0.000 1.265) 1.561 6.241 ( 0.289 0.000 -0.613) 0.678 6.527 ( -0.782 0.000 0.714) 1.059 6.585 ( 0.148 0.000 -0.280) 0.317 6.626 ( 0.511 0.000 -0.501) 0.716 6.641 ( 0.622 -0.000 -0.492) 0.793 6.832 ( -2.728 0.000 2.839) 3.937 7.015 ( 1.220 0.000 -0.677) 1.395 7.140 ( -0.682 0.000 0.370) 0.776 7.154 ( -0.538 0.000 0.293) 0.613 ======================= Grid point 139 (76/126) ======================= q-point: (-0.30 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -9.156 -0.000 2.347) 9.452 0.899 ( -6.919 0.000 -2.299) 7.291 1.008 ( -7.639 0.000 3.416) 8.369 1.099 ( -10.532 0.000 5.745) 11.997 1.270 ( 0.039 0.000 -0.606) 0.607 1.298 ( 2.327 0.000 -2.199) 3.201 1.507 ( -0.465 -0.000 -4.189) 4.215 1.520 ( -2.341 0.000 0.504) 2.395 1.612 ( -2.625 0.000 -1.529) 3.038 1.691 ( -6.433 -0.000 -2.398) 6.866 1.723 ( 0.105 0.000 0.200) 0.226 1.874 ( -8.445 0.000 -1.584) 8.593 1.895 ( -7.739 -0.000 0.242) 7.743 1.980 ( -3.410 -0.000 -5.553) 6.517 2.019 ( 2.605 0.000 1.852) 3.197 2.104 ( -2.818 -0.000 -0.302) 2.835 2.195 ( -5.685 0.000 0.563) 5.713 2.211 ( -2.862 -0.000 0.040) 2.862 2.356 ( -4.844 -0.000 -0.977) 4.942 2.420 ( -0.131 0.000 -1.651) 1.656 2.501 ( 5.242 -0.000 -1.524) 5.459 2.587 ( 0.527 0.000 0.367) 0.642 2.705 ( -0.112 0.000 0.781) 0.789 2.775 ( 1.722 0.000 1.927) 2.584 2.911 ( 4.257 -0.000 1.068) 4.389 2.946 ( -1.082 0.000 1.601) 1.933 3.020 ( -0.086 0.000 2.375) 2.376 3.035 ( -2.771 -0.000 2.550) 3.766 3.214 ( 0.501 -0.000 -3.133) 3.173 3.218 ( -0.048 0.000 -2.092) 2.092 3.354 ( 0.885 0.000 1.787) 1.994 3.359 ( -0.174 -0.000 -2.657) 2.663 3.495 ( 3.376 0.000 -3.304) 4.724 3.520 ( 2.160 -0.000 -2.233) 3.107 3.622 ( 3.949 -0.000 -0.664) 4.004 3.657 ( 4.797 0.000 -0.190) 4.800 3.824 ( -3.443 0.000 1.196) 3.645 3.830 ( -1.826 0.000 0.889) 2.031 4.079 ( -0.394 -0.000 -0.268) 0.477 4.090 ( 0.072 0.000 2.666) 2.667 4.239 ( 0.341 -0.000 1.635) 1.670 4.402 ( 0.698 0.000 -2.025) 2.142 5.413 ( -0.461 0.000 1.359) 1.435 5.519 ( 0.491 -0.000 -2.189) 2.243 6.150 ( -0.898 0.000 1.216) 1.511 6.237 ( 0.200 0.000 -0.528) 0.564 6.522 ( -0.880 0.000 0.632) 1.084 6.583 ( 0.103 0.000 -0.278) 0.296 6.629 ( 0.423 0.000 -0.092) 0.433 6.646 ( 0.805 -0.000 -0.586) 0.995 6.825 ( -2.326 0.000 2.573) 3.469 7.026 ( 1.047 0.000 -0.554) 1.185 7.135 ( -0.629 0.000 0.453) 0.775 7.148 ( -0.705 0.000 0.351) 0.788 ======================= Grid point 141 (77/126) ======================= q-point: (-0.20 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -3.451 -0.000 9.456) 10.066 0.844 ( -3.535 0.000 8.867) 9.546 0.956 ( -7.480 0.000 6.323) 9.794 1.013 ( -12.134 0.000 9.793) 15.592 1.278 ( -0.296 0.000 0.709) 0.769 1.330 ( 2.121 -0.000 0.663) 2.222 1.455 ( -6.799 -0.000 -0.487) 6.816 1.508 ( 1.186 0.000 0.315) 1.227 1.526 ( -8.095 0.000 2.094) 8.362 1.613 ( -2.016 -0.000 3.166) 3.753 1.677 ( -8.792 0.000 1.333) 8.893 1.740 ( -1.421 0.000 1.337) 1.951 1.793 ( -4.393 -0.000 -0.366) 4.408 1.929 ( -0.152 -0.000 -0.067) 0.166 2.001 ( -5.427 0.000 1.077) 5.532 2.100 ( 1.672 0.000 -0.578) 1.769 2.170 ( -2.381 -0.000 0.028) 2.381 2.197 ( 0.390 -0.000 1.987) 2.024 2.271 ( -3.085 -0.000 -0.614) 3.146 2.401 ( 1.349 0.000 -3.154) 3.430 2.586 ( 7.971 -0.000 -2.376) 8.318 2.599 ( 0.098 0.000 0.298) 0.314 2.729 ( 2.571 -0.000 0.583) 2.637 2.800 ( 0.532 0.000 -0.600) 0.802 2.927 ( -2.260 -0.000 -1.125) 2.525 2.938 ( -4.191 -0.000 3.183) 5.263 3.026 ( -0.714 -0.000 1.622) 1.772 3.039 ( -1.500 0.000 4.037) 4.307 3.191 ( 0.843 -0.000 -4.436) 4.515 3.197 ( 1.480 0.000 -2.558) 2.955 3.357 ( 2.314 0.000 -1.331) 2.669 3.405 ( 2.760 0.000 1.557) 3.169 3.473 ( 0.085 0.000 -3.173) 3.175 3.507 ( -0.548 -0.000 -1.591) 1.683 3.661 ( 2.409 -0.000 -1.687) 2.941 3.705 ( 1.764 0.000 -0.564) 1.852 3.804 ( -2.372 0.000 0.840) 2.517 3.809 ( -0.840 0.000 1.882) 2.061 4.057 ( -0.597 -0.000 -2.046) 2.132 4.111 ( -0.396 0.000 1.126) 1.194 4.253 ( -0.231 -0.000 0.711) 0.748 4.391 ( 0.991 0.000 -1.744) 2.006 5.422 ( -0.816 0.000 1.855) 2.027 5.503 ( 0.914 -0.000 -2.237) 2.417 6.150 ( -0.905 0.000 1.106) 1.429 6.235 ( 0.225 0.000 -0.399) 0.458 6.517 ( -0.825 -0.000 0.727) 1.100 6.583 ( 0.150 0.000 -0.155) 0.215 6.635 ( 0.259 0.000 0.152) 0.300 6.651 ( 0.781 -0.000 -0.693) 1.045 6.822 ( -1.997 0.000 2.391) 3.116 7.033 ( 0.813 0.000 -0.566) 0.991 7.132 ( -0.498 0.000 0.576) 0.762 7.142 ( -0.720 0.000 0.508) 0.881 ======================= Grid point 143 (78/126) ======================= q-point: (-0.10 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -4.953 -0.000 7.945) 9.363 0.911 ( -6.591 0.000 8.249) 10.559 0.971 ( -3.297 0.000 12.289) 12.724 0.986 ( -6.490 0.000 13.070) 14.592 1.263 ( -2.020 0.000 0.370) 2.054 1.374 ( 1.667 0.000 2.172) 2.739 1.384 ( -1.424 -0.000 4.552) 4.770 1.449 ( -6.080 0.000 10.001) 11.704 1.580 ( 3.213 -0.000 1.646) 3.610 1.596 ( -4.150 -0.000 2.602) 4.898 1.655 ( -2.322 0.000 6.053) 6.483 1.766 ( 0.800 0.000 0.766) 1.107 1.791 ( 1.125 -0.000 4.890) 5.018 1.954 ( 0.537 -0.000 3.178) 3.223 1.965 ( -1.612 0.000 4.982) 5.237 2.116 ( 2.330 -0.000 -2.332) 3.297 2.147 ( -0.090 -0.000 -0.219) 0.237 2.149 ( -4.215 -0.000 -0.582) 4.255 2.296 ( 1.596 -0.000 1.939) 2.512 2.381 ( 0.590 0.000 -3.046) 3.103 2.587 ( -0.710 0.000 -1.315) 1.495 2.665 ( 6.340 -0.000 -3.004) 7.016 2.778 ( -1.933 -0.000 -0.890) 2.128 2.786 ( 3.059 0.000 -0.887) 3.185 2.853 ( -4.324 0.000 -0.349) 4.338 2.915 ( -3.717 -0.000 3.763) 5.289 3.041 ( 0.899 -0.000 -0.616) 1.090 3.066 ( -0.334 0.000 1.970) 1.998 3.155 ( 0.732 0.000 -2.908) 2.998 3.186 ( 0.230 -0.000 -1.521) 1.538 3.334 ( -0.761 0.000 -2.989) 3.084 3.458 ( 1.000 0.000 -1.994) 2.231 3.483 ( 0.618 -0.000 1.808) 1.911 3.488 ( 4.233 0.000 -0.632) 4.280 3.659 ( 1.290 0.000 -2.380) 2.707 3.705 ( -1.114 -0.000 0.316) 1.158 3.788 ( -1.829 -0.000 1.878) 2.621 3.817 ( -0.672 0.000 0.139) 0.687 4.018 ( -0.261 0.000 -3.175) 3.186 4.104 ( -0.817 0.000 -0.678) 1.062 4.252 ( -0.655 0.000 0.285) 0.714 4.392 ( 1.570 -0.000 -1.579) 2.227 5.430 ( -1.061 -0.000 1.849) 2.132 5.496 ( 1.378 0.000 -1.995) 2.425 6.149 ( -0.917 0.000 1.065) 1.405 6.235 ( 0.329 -0.000 -0.294) 0.441 6.516 ( -0.550 -0.000 0.968) 1.114 6.585 ( 0.222 -0.000 -0.004) 0.223 6.639 ( -0.007 -0.000 0.129) 0.129 6.653 ( 0.658 0.000 -0.795) 1.031 6.821 ( -1.867 0.000 2.390) 3.033 7.036 ( 0.540 0.000 -0.792) 0.958 7.134 ( -0.337 -0.000 0.801) 0.869 7.140 ( -0.561 -0.000 0.733) 0.923 ======================= Grid point 155 (79/126) ======================= q-point: ( 0.00 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 2.207 0.000 11.197) 11.413 0.964 ( 4.756 0.000 11.038) 12.018 1.174 ( -2.295 0.000 0.516) 2.352 1.181 ( -5.383 0.000 4.257) 6.863 1.351 ( -1.135 0.000 0.372) 1.195 1.413 ( 0.592 0.000 0.307) 0.667 1.452 ( -0.472 0.000 2.667) 2.708 1.589 ( -2.227 0.000 -3.796) 4.401 1.717 ( -1.738 0.000 3.223) 3.662 1.786 ( 1.538 0.000 -0.730) 1.703 1.801 ( -0.764 0.000 7.772) 7.810 1.915 ( 5.228 0.000 0.438) 5.247 1.951 ( -0.887 0.000 3.194) 3.315 1.978 ( 4.035 0.000 -1.130) 4.190 2.060 ( 0.559 0.000 7.583) 7.604 2.192 ( -0.478 0.000 0.460) 0.664 2.207 ( 0.296 0.000 10.308) 10.312 2.306 ( 2.154 0.000 -1.993) 2.934 2.430 ( -1.581 0.000 2.543) 2.994 2.480 ( 2.671 0.000 4.837) 5.525 2.596 ( -0.657 0.000 -2.337) 2.428 2.610 ( 0.090 0.000 4.073) 4.074 2.708 ( -1.122 0.000 -2.789) 3.006 2.718 ( 1.481 0.000 -1.489) 2.100 2.761 ( 1.071 0.000 -1.530) 1.868 2.884 ( -0.186 0.000 -5.967) 5.970 3.010 ( -5.300 0.000 -1.940) 5.644 3.047 ( 1.191 0.000 -2.643) 2.898 3.190 ( 0.870 0.000 1.412) 1.658 3.200 ( -0.288 0.000 1.930) 1.951 3.327 ( 1.352 0.000 1.011) 1.688 3.362 ( 1.627 0.000 0.283) 1.652 3.475 ( 2.695 0.000 -3.611) 4.506 3.477 ( 2.157 0.000 -3.989) 4.535 3.642 ( -2.919 0.000 -2.120) 3.608 3.697 ( -0.319 0.000 -1.874) 1.901 3.731 ( 0.191 0.000 2.747) 2.753 3.827 ( -0.834 0.000 1.325) 1.565 3.965 ( -0.631 0.000 -1.984) 2.082 3.991 ( -0.067 0.000 -3.974) 3.974 4.249 ( -1.649 0.000 2.432) 2.938 4.364 ( 1.768 0.000 -2.784) 3.298 5.456 ( -1.596 0.000 0.525) 1.681 5.474 ( 2.039 0.000 -0.989) 2.266 6.178 ( -1.077 0.000 1.471) 1.824 6.229 ( 0.816 0.000 -0.972) 1.269 6.542 ( -0.150 0.000 0.791) 0.805 6.570 ( -0.106 0.000 -0.440) 0.452 6.630 ( -0.012 0.000 0.619) 0.619 6.662 ( 0.320 0.000 -0.813) 0.874 6.882 ( -1.660 0.000 3.479) 3.855 7.005 ( 0.683 0.000 -2.308) 2.407 7.155 ( -0.158 0.000 0.697) 0.715 7.159 ( -0.266 0.000 0.487) 0.555 ======================= Grid point 156 (80/126) ======================= q-point: ( 0.10 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 2.416 0.000 5.570) 6.071 1.048 ( -0.879 0.000 -2.377) 2.534 1.200 ( 0.280 0.000 4.792) 4.801 1.254 ( 5.718 0.000 6.842) 8.917 1.347 ( 0.865 0.000 -0.640) 1.076 1.445 ( 4.269 0.000 0.328) 4.281 1.514 ( 3.107 0.000 2.397) 3.925 1.529 ( 0.353 0.000 -2.444) 2.470 1.719 ( -0.300 0.000 0.674) 0.737 1.827 ( 5.830 0.000 -2.253) 6.250 1.880 ( 1.171 0.000 3.363) 3.561 1.945 ( -0.132 0.000 -0.324) 0.350 1.950 ( 1.330 0.000 -2.071) 2.461 2.044 ( 3.986 0.000 -0.326) 3.999 2.143 ( 1.625 0.000 2.692) 3.144 2.160 ( -0.074 0.000 -3.730) 3.731 2.301 ( -1.339 0.000 3.686) 3.921 2.336 ( 1.308 0.000 1.723) 2.164 2.453 ( -1.105 0.000 4.897) 5.020 2.532 ( 0.246 0.000 0.942) 0.973 2.568 ( -1.052 0.000 0.553) 1.188 2.654 ( -1.136 0.000 1.203) 1.654 2.655 ( -2.206 0.000 0.597) 2.285 2.730 ( 2.966 0.000 -2.280) 3.741 2.748 ( -1.640 0.000 -0.344) 1.676 2.804 ( -1.919 0.000 -3.594) 4.074 2.902 ( -3.303 0.000 -3.866) 5.084 3.056 ( 1.303 0.000 0.679) 1.469 3.223 ( 2.287 0.000 -0.509) 2.343 3.228 ( 1.473 0.000 0.501) 1.556 3.349 ( 0.436 0.000 -0.009) 0.436 3.365 ( -1.901 0.000 -1.523) 2.436 3.460 ( 3.079 0.000 -2.782) 4.150 3.479 ( 2.651 0.000 -2.688) 3.776 3.597 ( -1.801 0.000 1.806) 2.550 3.668 ( 0.187 0.000 -1.411) 1.423 3.792 ( 0.974 0.000 3.707) 3.833 3.806 ( -1.384 0.000 -1.523) 2.058 3.930 ( -1.316 0.000 -1.056) 1.687 3.957 ( -0.620 0.000 -0.978) 1.158 4.254 ( -1.750 0.000 2.786) 3.290 4.356 ( 1.698 0.000 -2.938) 3.394 5.436 ( -1.312 0.000 -0.080) 1.315 5.497 ( 1.986 0.000 -0.496) 2.047 6.179 ( -1.098 0.000 1.415) 1.791 6.230 ( 0.868 0.000 -1.034) 1.350 6.547 ( -0.445 0.000 0.911) 1.014 6.561 ( -0.224 0.000 -0.625) 0.664 6.637 ( -0.064 0.000 0.644) 0.647 6.656 ( 0.232 0.000 -0.948) 0.976 6.899 ( -1.786 0.000 3.739) 4.143 6.987 ( 0.666 0.000 -2.459) 2.548 7.160 ( -0.153 0.000 0.507) 0.529 7.160 ( -0.242 0.000 0.306) 0.390 ======================= Grid point 157 (81/126) ======================= q-point: ( 0.20 0.00 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 1.152 0.000 -4.257) 4.410 1.125 ( 6.452 0.000 2.558) 6.941 1.243 ( 0.317 0.000 0.581) 0.662 1.372 ( 4.726 0.000 -1.359) 4.917 1.377 ( 4.114 0.000 0.206) 4.119 1.519 ( 3.530 0.000 -0.747) 3.608 1.556 ( 3.659 0.000 0.977) 3.787 1.573 ( 1.542 0.000 0.964) 1.819 1.732 ( 0.361 0.000 1.857) 1.892 1.864 ( 0.440 0.000 -2.483) 2.521 1.916 ( 2.385 0.000 0.466) 2.430 1.930 ( 1.789 0.000 -4.434) 4.781 1.973 ( 4.222 0.000 -2.482) 4.898 2.070 ( 1.880 0.000 -2.494) 3.123 2.129 ( 2.953 0.000 -5.191) 5.972 2.169 ( -0.674 0.000 0.200) 0.703 2.282 ( 0.659 0.000 -2.404) 2.493 2.371 ( -0.124 0.000 2.828) 2.831 2.444 ( -3.487 0.000 -0.521) 3.526 2.518 ( -0.948 0.000 -3.118) 3.259 2.574 ( -1.954 0.000 2.814) 3.426 2.602 ( -3.045 0.000 -2.135) 3.719 2.657 ( -0.518 0.000 0.710) 0.879 2.696 ( -0.997 0.000 -4.628) 4.734 2.767 ( 0.942 0.000 6.697) 6.763 2.770 ( -1.573 0.000 0.602) 1.684 2.869 ( 4.990 0.000 -3.018) 5.831 3.091 ( 1.863 0.000 0.869) 2.056 3.198 ( -2.918 0.000 -3.693) 4.707 3.231 ( -0.052 0.000 -2.359) 2.359 3.333 ( 0.664 0.000 0.302) 0.730 3.357 ( 0.792 0.000 0.894) 1.194 3.486 ( 2.541 0.000 -3.020) 3.947 3.493 ( 2.712 0.000 -0.926) 2.866 3.624 ( -0.966 0.000 3.777) 3.898 3.652 ( -1.319 0.000 -0.959) 1.630 3.773 ( 0.268 0.000 -0.909) 0.947 3.828 ( -1.408 0.000 2.601) 2.958 3.923 ( 0.363 0.000 2.083) 2.114 3.943 ( -1.697 0.000 1.694) 2.397 4.262 ( -1.799 0.000 3.026) 3.521 4.347 ( 1.605 0.000 -2.731) 3.167 5.417 ( -0.862 0.000 -0.251) 0.898 5.520 ( 1.671 0.000 -0.430) 1.725 6.178 ( -1.132 0.000 1.391) 1.793 6.231 ( 0.902 0.000 -1.118) 1.437 6.549 ( -0.760 0.000 0.917) 1.191 6.550 ( -0.110 0.000 -0.622) 0.632 6.642 ( -0.177 0.000 0.575) 0.602 6.647 ( 0.165 0.000 -1.010) 1.023 6.914 ( -2.114 0.000 3.685) 4.248 6.970 ( 0.951 0.000 -2.368) 2.552 7.159 ( -0.139 0.000 0.161) 0.213 7.162 ( -0.221 0.000 0.296) 0.370 ======================= Grid point 158 (82/126) ======================= q-point: ( 0.30 0.00 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 4.691 0.000 -2.979) 5.557 1.197 ( -2.279 0.000 2.061) 3.072 1.266 ( 7.412 0.000 -5.515) 9.239 1.394 ( 2.370 0.000 -5.151) 5.670 1.478 ( 8.862 0.000 0.046) 8.862 1.506 ( -2.426 0.000 -0.108) 2.429 1.608 ( 3.309 0.000 -1.574) 3.664 1.619 ( 2.585 0.000 0.805) 2.708 1.738 ( -1.142 0.000 -3.329) 3.519 1.801 ( -2.685 0.000 -1.929) 3.306 1.890 ( 0.866 0.000 -7.030) 7.083 1.912 ( -1.358 0.000 -2.133) 2.529 2.004 ( -1.711 0.000 -7.931) 8.114 2.023 ( 3.911 0.000 -1.857) 4.330 2.134 ( 1.999 0.000 -1.937) 2.784 2.142 ( -2.323 0.000 -1.516) 2.774 2.260 ( 2.020 0.000 -2.059) 2.885 2.406 ( 0.097 0.000 2.634) 2.636 2.445 ( 3.382 0.000 1.635) 3.757 2.447 ( -0.546 0.000 -4.454) 4.487 2.537 ( 1.070 0.000 -6.115) 6.208 2.558 ( -3.271 0.000 1.853) 3.760 2.646 ( -1.135 0.000 -0.547) 1.260 2.651 ( -0.590 0.000 0.322) 0.672 2.776 ( 2.458 0.000 0.011) 2.458 2.868 ( 1.545 0.000 3.455) 3.785 2.939 ( 4.779 0.000 1.056) 4.894 3.077 ( -4.163 0.000 -1.127) 4.313 3.170 ( 2.782 0.000 2.766) 3.924 3.189 ( -0.470 0.000 -3.050) 3.086 3.352 ( 1.360 0.000 -1.174) 1.796 3.389 ( 1.528 0.000 0.769) 1.711 3.484 ( 1.706 0.000 -2.826) 3.301 3.499 ( -0.731 0.000 -1.113) 1.332 3.602 ( -3.421 0.000 -0.987) 3.561 3.603 ( -3.231 0.000 -0.320) 3.247 3.814 ( 2.011 0.000 2.723) 3.385 3.833 ( -1.084 0.000 2.235) 2.484 3.953 ( -1.105 0.000 4.086) 4.233 3.977 ( 1.283 0.000 3.758) 3.971 4.268 ( -2.059 0.000 2.898) 3.555 4.342 ( 1.735 0.000 -2.416) 2.974 5.405 ( -0.449 0.000 0.047) 0.451 5.534 ( 1.174 0.000 -0.896) 1.477 6.178 ( -1.148 0.000 1.433) 1.836 6.231 ( 0.909 0.000 -1.156) 1.471 6.544 ( 0.175 0.000 -0.460) 0.493 6.546 ( -0.930 0.000 0.831) 1.247 6.638 ( 0.202 0.000 -0.947) 0.968 6.644 ( -0.365 0.000 0.386) 0.531 6.920 ( -2.560 0.000 3.364) 4.228 6.961 ( 1.439 0.000 -2.076) 2.526 7.160 ( -0.015 0.000 0.113) 0.114 7.161 ( -0.269 0.000 0.199) 0.334 ======================= Grid point 159 (83/126) ======================= q-point: ( 0.40 0.00 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 4.810 0.000 -0.311) 4.820 1.173 ( -2.748 0.000 1.703) 3.232 1.279 ( 3.641 0.000 -7.382) 8.231 1.358 ( 2.552 0.000 -5.571) 6.127 1.461 ( -2.660 0.000 -2.636) 3.744 1.499 ( -3.998 0.000 -1.222) 4.181 1.605 ( -3.299 0.000 -7.637) 8.319 1.645 ( 0.839 0.000 0.525) 0.989 1.685 ( 1.911 0.000 -6.818) 7.080 1.771 ( 2.919 0.000 -4.108) 5.039 1.814 ( 3.110 0.000 -2.187) 3.802 1.866 ( -2.367 0.000 -4.480) 5.067 1.877 ( -3.319 0.000 -5.305) 6.257 1.927 ( -4.342 0.000 -4.786) 6.462 2.146 ( 1.677 0.000 0.223) 1.692 2.160 ( 2.996 0.000 0.388) 3.021 2.314 ( 2.447 0.000 2.261) 3.332 2.387 ( -0.430 0.000 -1.917) 1.965 2.447 ( 0.740 0.000 1.231) 1.436 2.465 ( -3.919 0.000 -0.058) 3.919 2.503 ( 2.985 0.000 -5.547) 6.299 2.567 ( 3.151 0.000 0.567) 3.202 2.643 ( 3.066 0.000 -2.913) 4.229 2.665 ( 0.573 0.000 1.034) 1.182 2.841 ( 3.345 0.000 2.925) 4.444 2.844 ( -5.030 0.000 -0.579) 5.063 3.028 ( 3.365 0.000 2.756) 4.350 3.043 ( -2.479 0.000 3.749) 4.495 3.158 ( 1.389 0.000 -2.828) 3.150 3.277 ( 6.883 0.000 1.341) 7.012 3.339 ( -0.607 0.000 -1.095) 1.252 3.397 ( -0.959 0.000 -1.498) 1.779 3.451 ( -2.187 0.000 -2.156) 3.071 3.469 ( -0.387 0.000 -1.217) 1.277 3.545 ( -1.200 0.000 -0.653) 1.367 3.563 ( -2.365 0.000 0.474) 2.412 3.848 ( -0.478 0.000 1.935) 1.993 3.854 ( 0.219 0.000 1.118) 1.140 4.010 ( 0.838 0.000 4.992) 5.061 4.035 ( 0.926 0.000 3.040) 3.178 4.266 ( -2.406 0.000 2.550) 3.506 4.344 ( 2.091 0.000 -2.133) 2.987 5.405 ( -0.213 0.000 0.738) 0.768 5.533 ( 0.693 0.000 -1.704) 1.839 6.178 ( -1.150 0.000 1.519) 1.905 6.231 ( 0.885 0.000 -1.111) 1.421 6.541 ( -0.922 0.000 0.700) 1.158 6.544 ( 0.448 0.000 -0.292) 0.535 6.632 ( 0.423 0.000 -0.721) 0.836 6.640 ( -0.545 0.000 0.121) 0.558 6.915 ( -2.971 0.000 2.938) 4.179 6.965 ( 1.946 0.000 -1.706) 2.588 7.159 ( -0.311 0.000 0.241) 0.393 7.161 ( 0.008 0.000 0.124) 0.124 ======================= Grid point 160 (84/126) ======================= q-point: (-0.50 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -0.807 0.000 1.918) 2.081 1.154 ( -3.068 0.000 0.836) 3.180 1.215 ( -1.546 0.000 -3.025) 3.397 1.311 ( -6.280 0.000 -7.160) 9.524 1.370 ( 4.618 0.000 -3.358) 5.710 1.416 ( -4.527 0.000 -2.119) 4.998 1.504 ( -2.689 0.000 -1.500) 3.079 1.531 ( -3.895 0.000 -8.244) 9.118 1.670 ( 0.785 0.000 -0.800) 1.121 1.710 ( -4.005 0.000 -4.225) 5.821 1.731 ( -3.535 0.000 -3.521) 4.990 1.780 ( 1.524 0.000 -3.863) 4.153 1.884 ( -0.349 0.000 -0.311) 0.468 1.948 ( 8.061 0.000 -1.075) 8.132 2.177 ( -1.756 0.000 0.210) 1.768 2.178 ( 1.056 0.000 0.565) 1.197 2.336 ( -3.317 0.000 0.796) 3.411 2.399 ( 1.997 0.000 0.897) 2.189 2.410 ( -1.942 0.000 0.839) 2.115 2.460 ( 0.332 0.000 -0.447) 0.557 2.496 ( 3.099 0.000 -2.702) 4.111 2.552 ( -10.548 0.000 -2.189) 10.772 2.624 ( 2.734 0.000 -1.592) 3.164 2.657 ( 2.728 0.000 -2.370) 3.614 2.857 ( 2.156 0.000 4.734) 5.201 2.927 ( 3.379 0.000 1.458) 3.681 3.057 ( -1.354 0.000 3.054) 3.340 3.070 ( -1.195 0.000 1.591) 1.989 3.188 ( 4.220 0.000 -0.087) 4.220 3.316 ( 0.400 0.000 -0.937) 1.019 3.335 ( -2.454 0.000 -2.059) 3.203 3.368 ( 2.429 0.000 -6.025) 6.496 3.419 ( 3.384 0.000 1.439) 3.678 3.453 ( -0.377 0.000 -0.541) 0.659 3.539 ( -1.570 0.000 0.674) 1.709 3.553 ( 1.963 0.000 -0.007) 1.963 3.854 ( -1.228 0.000 1.070) 1.629 3.860 ( -0.657 0.000 0.835) 1.063 4.071 ( 0.639 0.000 2.754) 2.827 4.076 ( 0.668 0.000 1.837) 1.954 4.258 ( -2.246 0.000 2.367) 3.263 4.353 ( 2.264 0.000 -2.053) 3.056 5.416 ( -0.208 0.000 1.604) 1.618 5.517 ( 0.458 0.000 -2.446) 2.488 6.178 ( -1.182 0.000 1.561) 1.958 6.232 ( 0.820 0.000 -1.041) 1.325 6.535 ( -0.784 0.000 0.579) 0.975 6.550 ( 0.588 0.000 -0.209) 0.624 6.631 ( -0.596 0.000 -0.091) 0.603 6.635 ( 0.739 0.000 -0.410) 0.845 6.901 ( -3.151 0.000 2.584) 4.075 6.979 ( 2.267 0.000 -1.411) 2.670 7.157 ( -0.419 0.000 0.341) 0.540 7.162 ( -0.124 0.000 0.133) 0.182 ======================= Grid point 161 (85/126) ======================= q-point: (-0.40 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -10.174 0.000 1.534) 10.288 1.051 ( -10.730 0.000 0.162) 10.731 1.193 ( -1.554 0.000 0.313) 1.585 1.213 ( -0.613 0.000 3.100) 3.160 1.309 ( -2.173 0.000 -3.292) 3.945 1.401 ( 0.018 0.000 -0.253) 0.253 1.450 ( -0.172 0.000 -0.760) 0.779 1.463 ( -1.669 0.000 1.304) 2.118 1.631 ( -3.185 0.000 0.567) 3.235 1.642 ( -2.650 0.000 1.287) 2.946 1.702 ( -0.995 0.000 0.194) 1.014 1.759 ( 1.877 0.000 -3.929) 4.354 1.895 ( 1.156 0.000 0.943) 1.492 2.020 ( 4.835 0.000 -3.347) 5.881 2.108 ( -9.768 0.000 2.455) 10.071 2.197 ( 1.676 0.000 -0.079) 1.678 2.203 ( -11.020 0.000 -1.548) 11.128 2.382 ( -2.479 0.000 -2.960) 3.861 2.395 ( -1.282 0.000 -0.262) 1.309 2.452 ( 0.236 0.000 1.621) 1.638 2.462 ( -0.866 0.000 -0.282) 0.911 2.553 ( 3.567 0.000 3.067) 4.704 2.646 ( 2.371 0.000 -1.817) 2.987 2.675 ( 2.657 0.000 -1.590) 3.096 2.917 ( -1.047 0.000 2.300) 2.527 2.938 ( -0.283 0.000 -3.281) 3.293 3.082 ( 1.376 0.000 1.431) 1.985 3.092 ( -0.156 0.000 4.818) 4.821 3.208 ( -2.138 0.000 0.381) 2.172 3.283 ( -0.745 0.000 -6.149) 6.194 3.332 ( 4.420 0.000 -1.939) 4.827 3.333 ( 0.854 0.000 -0.233) 0.885 3.444 ( 0.078 0.000 -0.513) 0.519 3.493 ( 4.207 0.000 -2.156) 4.727 3.540 ( 1.692 0.000 0.302) 1.719 3.595 ( 3.880 0.000 -0.379) 3.898 3.840 ( -2.084 0.000 1.287) 2.449 3.856 ( -1.430 0.000 1.056) 1.778 4.092 ( -0.173 0.000 0.480) 0.510 4.096 ( 0.100 0.000 0.223) 0.244 4.256 ( -1.615 0.000 2.088) 2.640 4.362 ( 2.122 0.000 -2.081) 2.972 5.435 ( -0.430 0.000 2.333) 2.373 5.492 ( 0.570 0.000 -2.812) 2.869 6.178 ( -1.237 0.000 1.534) 1.970 6.231 ( 0.736 0.000 -1.015) 1.254 6.531 ( -0.593 0.000 0.493) 0.771 6.557 ( 0.619 0.000 -0.152) 0.638 6.622 ( -0.449 0.000 -0.112) 0.462 6.644 ( 0.906 0.000 -0.209) 0.930 6.883 ( -2.980 0.000 2.413) 3.834 6.998 ( 2.254 0.000 -1.306) 2.606 7.154 ( -0.575 0.000 0.429) 0.717 7.160 ( -0.327 0.000 0.162) 0.365 ======================= Grid point 162 (86/126) ======================= q-point: (-0.30 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -15.318 0.000 2.551) 15.529 0.912 ( -12.605 0.000 6.553) 14.207 1.220 ( -0.886 0.000 5.799) 5.866 1.236 ( -0.347 0.000 2.101) 2.130 1.333 ( 3.618 0.000 4.122) 5.484 1.384 ( -2.817 0.000 3.536) 4.521 1.456 ( -2.146 0.000 2.105) 3.006 1.463 ( -3.668 0.000 2.792) 4.610 1.601 ( -6.121 0.000 4.705) 7.720 1.642 ( 0.766 0.000 5.599) 5.651 1.686 ( -6.724 0.000 5.779) 8.866 1.755 ( 2.825 0.000 -2.266) 3.622 1.915 ( -1.648 0.000 0.868) 1.863 1.969 ( -8.234 0.000 4.659) 9.461 2.024 ( 0.934 0.000 -2.756) 2.910 2.093 ( -3.759 0.000 0.063) 3.760 2.222 ( 1.366 0.000 -2.466) 2.819 2.280 ( -3.716 0.000 -3.070) 4.820 2.391 ( 1.268 0.000 -0.590) 1.399 2.440 ( -2.339 0.000 1.014) 2.550 2.504 ( 3.394 0.000 1.056) 3.555 2.621 ( 0.408 0.000 1.872) 1.916 2.664 ( 3.152 0.000 -1.842) 3.651 2.686 ( 2.136 0.000 -2.730) 3.466 2.891 ( -2.926 0.000 -0.227) 2.935 2.899 ( -0.127 0.000 -0.838) 0.848 3.109 ( 0.437 0.000 -0.909) 1.009 3.151 ( -0.164 0.000 3.512) 3.516 3.180 ( -1.263 0.000 1.049) 1.642 3.202 ( 1.095 0.000 -6.492) 6.583 3.344 ( 1.159 0.000 -4.100) 4.260 3.350 ( 0.292 0.000 1.186) 1.221 3.459 ( 1.543 0.000 0.823) 1.749 3.492 ( 0.407 0.000 -2.835) 2.864 3.587 ( 3.924 0.000 -0.902) 4.026 3.658 ( 5.366 0.000 -1.586) 5.595 3.828 ( -2.099 0.000 2.024) 2.916 3.839 ( -2.457 0.000 1.123) 2.702 4.082 ( -0.721 0.000 -1.675) 1.824 4.089 ( 0.248 0.000 -0.817) 0.853 4.254 ( -1.561 0.000 1.541) 2.194 4.368 ( 1.834 0.000 -2.007) 2.719 5.455 ( -0.814 0.000 2.608) 2.732 5.470 ( 0.948 0.000 -2.735) 2.895 6.177 ( -1.241 0.000 1.507) 1.952 6.230 ( 0.690 0.000 -1.020) 1.232 6.529 ( -0.391 0.000 0.440) 0.589 6.565 ( 0.552 0.000 -0.087) 0.558 6.616 ( -0.192 0.000 0.079) 0.208 6.655 ( 0.833 0.000 -0.225) 0.863 6.869 ( -2.539 0.000 2.447) 3.526 7.014 ( 1.914 0.000 -1.409) 2.376 7.150 ( -0.645 0.000 0.524) 0.831 7.157 ( -0.440 0.000 0.296) 0.530 ======================= Grid point 163 (87/126) ======================= q-point: (-0.20 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -11.882 0.000 8.824) 14.800 0.807 ( -13.828 0.000 10.606) 17.427 1.251 ( -0.971 0.000 1.448) 1.744 1.272 ( -2.144 0.000 5.180) 5.607 1.371 ( -4.991 0.000 0.507) 5.016 1.416 ( -4.604 0.000 2.328) 5.159 1.450 ( -2.172 0.000 9.166) 9.419 1.479 ( 5.279 0.000 6.252) 8.182 1.613 ( -5.183 0.000 4.918) 7.145 1.663 ( -8.365 0.000 18.092) 19.932 1.745 ( 2.738 0.000 3.256) 4.255 1.801 ( 2.216 0.000 3.120) 3.826 1.870 ( -4.087 0.000 0.476) 4.115 1.983 ( -1.474 0.000 6.469) 6.635 2.003 ( 0.564 0.000 -1.903) 1.985 2.056 ( -1.640 0.000 0.604) 1.747 2.120 ( -5.618 0.000 -1.251) 5.755 2.278 ( 3.007 0.000 -1.971) 3.596 2.411 ( -1.505 0.000 -0.944) 1.776 2.412 ( 1.527 0.000 0.066) 1.529 2.566 ( 5.518 0.000 -2.025) 5.877 2.605 ( -3.549 0.000 1.792) 3.975 2.690 ( 1.972 0.000 -1.504) 2.480 2.700 ( 3.167 0.000 -2.404) 3.976 2.853 ( -0.681 0.000 -1.054) 1.255 2.914 ( 1.841 0.000 0.020) 1.841 3.072 ( 0.309 0.000 -3.706) 3.719 3.139 ( -1.488 0.000 -0.682) 1.637 3.174 ( 2.024 0.000 -3.454) 4.004 3.210 ( -1.907 0.000 4.221) 4.632 3.299 ( 1.017 0.000 -4.432) 4.547 3.364 ( 0.111 0.000 0.068) 0.130 3.458 ( -0.554 0.000 -1.399) 1.505 3.484 ( 0.742 0.000 -0.063) 0.744 3.630 ( 2.461 0.000 -0.041) 2.461 3.706 ( 3.783 0.000 -2.399) 4.479 3.815 ( -2.394 0.000 1.085) 2.628 3.816 ( -2.169 0.000 1.245) 2.501 4.041 ( -0.837 0.000 -2.823) 2.944 4.077 ( 0.627 0.000 -2.588) 2.663 4.247 ( -1.670 0.000 1.716) 2.394 4.370 ( 1.572 0.000 -2.064) 2.595 5.458 ( 1.427 0.000 -2.305) 2.711 5.469 ( -1.242 0.000 2.248) 2.568 6.176 ( -1.174 0.000 1.515) 1.917 6.229 ( 0.710 0.000 -0.998) 1.225 6.530 ( -0.184 0.000 0.461) 0.496 6.571 ( 0.380 0.000 -0.079) 0.388 6.617 ( -0.015 0.000 0.338) 0.338 6.663 ( 0.634 0.000 -0.400) 0.750 6.864 ( -2.067 0.000 2.667) 3.375 7.022 ( 1.421 0.000 -1.654) 2.180 7.147 ( -0.534 0.000 0.652) 0.843 7.155 ( -0.386 0.000 0.497) 0.630 ======================= Grid point 164 (88/126) ======================= q-point: (-0.10 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -2.982 0.000 13.270) 13.601 0.798 ( -4.853 0.000 13.732) 14.564 1.229 ( -4.768 0.000 2.324) 5.304 1.231 ( -5.890 0.000 1.178) 6.006 1.370 ( 2.485 0.000 0.925) 2.652 1.373 ( -3.596 0.000 1.821) 4.030 1.485 ( -5.579 0.000 3.819) 6.761 1.614 ( 3.213 0.000 1.942) 3.755 1.642 ( -4.441 0.000 14.776) 15.429 1.774 ( -2.623 0.000 5.337) 5.947 1.787 ( -0.215 0.000 0.337) 0.399 1.836 ( 1.003 0.000 1.746) 2.013 1.854 ( -1.173 0.000 10.389) 10.455 1.967 ( 1.656 0.000 -4.980) 5.248 2.012 ( -3.946 0.000 5.524) 6.789 2.094 ( 2.074 0.000 5.172) 5.573 2.145 ( 1.207 0.000 6.598) 6.707 2.299 ( 2.457 0.000 -1.541) 2.900 2.394 ( 1.251 0.000 0.557) 1.369 2.428 ( -0.460 0.000 1.013) 1.113 2.588 ( -2.382 0.000 3.115) 3.921 2.615 ( 3.382 0.000 -2.823) 4.405 2.696 ( 2.838 0.000 -1.752) 3.335 2.713 ( 1.792 0.000 -1.680) 2.456 2.814 ( -2.030 0.000 -2.960) 3.589 2.929 ( 1.879 0.000 -3.265) 3.767 3.060 ( 3.493 0.000 -4.566) 5.749 3.095 ( -3.069 0.000 -1.409) 3.377 3.169 ( 0.212 0.000 0.194) 0.287 3.200 ( -2.873 0.000 2.092) 3.554 3.297 ( 1.545 0.000 -0.095) 1.548 3.351 ( -0.692 0.000 -0.118) 0.702 3.465 ( 3.025 0.000 -1.548) 3.398 3.482 ( 1.388 0.000 -2.578) 2.928 3.666 ( 1.288 0.000 1.626) 2.075 3.704 ( -0.380 0.000 -2.837) 2.862 3.774 ( -3.034 0.000 -1.030) 3.204 3.812 ( -0.600 0.000 1.962) 2.051 3.998 ( -0.353 0.000 -2.659) 2.682 4.043 ( 0.223 0.000 -4.276) 4.282 4.246 ( -1.571 0.000 2.188) 2.694 4.368 ( 1.619 0.000 -2.362) 2.864 5.460 ( 1.832 0.000 -1.666) 2.477 5.469 ( -1.561 0.000 1.412) 2.105 6.177 ( -1.101 0.000 1.514) 1.872 6.228 ( 0.763 0.000 -0.964) 1.230 6.535 ( -0.061 0.000 0.601) 0.604 6.573 ( 0.140 0.000 -0.204) 0.248 6.623 ( 0.020 0.000 0.523) 0.524 6.665 ( 0.444 0.000 -0.624) 0.766 6.869 ( -1.756 0.000 3.049) 3.519 7.018 ( 0.972 0.000 -1.988) 2.213 7.149 ( -0.313 0.000 0.745) 0.808 7.157 ( -0.291 0.000 0.582) 0.651 ======================= Grid point 165 (89/126) ======================= q-point: ( 0.00 0.25 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 1.453 5.037 10.123) 11.400 1.036 ( -0.128 5.194 7.080) 8.782 1.170 ( -3.496 0.970 5.220) 6.357 1.234 ( -2.196 2.045 2.308) 3.785 1.311 ( -1.543 -3.552 1.896) 4.312 1.449 ( -0.463 3.245 0.664) 3.344 1.483 ( 3.707 4.040 2.808) 6.160 1.591 ( -3.194 -0.577 -1.609) 3.623 1.723 ( 1.091 -0.270 1.188) 1.636 1.770 ( -1.053 0.345 5.416) 5.528 1.831 ( 1.280 1.193 1.141) 2.089 1.890 ( 3.508 -1.752 3.580) 5.309 1.949 ( 0.677 -0.359 1.301) 1.510 1.984 ( 1.293 0.454 -0.721) 1.548 2.058 ( 1.682 0.033 3.400) 3.793 2.130 ( 0.020 -4.956 0.607) 4.993 2.215 ( -0.889 0.700 8.350) 8.426 2.326 ( 0.359 1.336 3.385) 3.657 2.437 ( 3.215 -2.519 7.090) 8.182 2.445 ( -0.484 -0.216 -0.710) 0.886 2.532 ( 0.708 -2.944 3.378) 4.536 2.660 ( 0.758 1.227 -1.772) 2.285 2.692 ( -1.310 1.641 0.328) 2.126 2.749 ( -0.657 0.432 -1.457) 1.656 2.784 ( 0.794 1.422 -2.483) 2.969 2.897 ( -1.524 0.950 -4.269) 4.631 2.971 ( -0.935 -2.547 -3.693) 4.582 3.000 ( -0.858 -3.089 -3.151) 4.495 3.174 ( 0.493 -0.722 2.431) 2.583 3.227 ( -1.129 0.286 2.855) 3.084 3.325 ( 0.790 0.465 -1.732) 1.959 3.356 ( 3.019 -0.701 -0.990) 3.253 3.470 ( 1.905 0.529 -3.002) 3.595 3.494 ( 1.983 0.374 -3.238) 3.816 3.642 ( -1.152 0.431 -1.097) 1.648 3.702 ( 1.058 -0.366 0.972) 1.483 3.753 ( -1.873 2.331 -0.200) 2.997 3.833 ( -1.450 0.046 0.828) 1.671 3.937 ( -0.384 -1.512 -1.181) 1.957 4.010 ( -0.248 0.941 -3.503) 3.636 4.251 ( -1.897 0.187 1.976) 2.746 4.357 ( 1.958 -0.506 -2.798) 3.452 5.454 ( -1.563 -0.124 0.565) 1.667 5.473 ( 2.009 -0.085 -0.988) 2.240 6.177 ( -1.069 -0.136 1.471) 1.824 6.227 ( 0.780 -0.127 -0.933) 1.223 6.544 ( -0.310 0.195 1.027) 1.090 6.577 ( 0.050 0.601 -0.451) 0.753 6.630 ( 0.045 0.065 0.332) 0.341 6.654 ( 0.270 -0.758 -0.737) 1.091 6.882 ( -1.732 0.004 3.395) 3.811 7.002 ( 0.730 -0.266 -2.243) 2.374 7.156 ( -0.176 0.136 0.730) 0.763 7.159 ( -0.260 0.021 0.581) 0.637 ======================= Grid point 166 (90/126) ======================= q-point: ( 0.10 0.25 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 1.176 3.973 2.952) 5.087 1.114 ( 5.050 3.799 4.616) 7.826 1.222 ( -1.686 2.680 3.165) 4.477 1.257 ( 1.899 -0.001 3.826) 4.271 1.340 ( 2.580 -1.216 2.237) 3.625 1.452 ( 1.784 2.429 -0.179) 3.019 1.522 ( 0.482 0.589 -3.043) 3.137 1.591 ( 2.599 4.508 4.341) 6.776 1.739 ( -0.628 1.716 -1.434) 2.323 1.779 ( 2.364 -3.470 -1.210) 4.369 1.900 ( 3.145 -0.335 2.577) 4.080 1.916 ( 0.305 -1.534 -1.669) 2.287 1.973 ( 2.267 1.553 -1.696) 3.229 2.042 ( 4.499 -0.547 0.172) 4.535 2.101 ( 0.002 -3.503 -0.810) 3.595 2.129 ( 2.445 -1.412 0.388) 2.850 2.276 ( -1.060 -1.630 4.451) 4.857 2.367 ( 0.296 1.640 -3.277) 3.676 2.462 ( -0.809 0.727 8.793) 8.860 2.531 ( 0.499 0.752 2.965) 3.099 2.566 ( -0.460 -0.670 0.310) 0.870 2.634 ( -2.167 -0.391 -0.583) 2.278 2.679 ( -1.512 0.474 0.358) 1.624 2.733 ( -0.056 0.866 2.220) 2.384 2.763 ( 1.075 0.097 -3.857) 4.005 2.827 ( -0.938 2.383 -2.882) 3.855 2.893 ( -2.307 -0.412 -4.680) 5.234 2.991 ( 1.428 -4.965 0.588) 5.200 3.214 ( 0.183 -0.938 0.515) 1.086 3.234 ( -0.881 -0.245 1.067) 1.405 3.287 ( 0.191 -2.388 -1.516) 2.835 3.402 ( 1.959 0.858 -2.303) 3.143 3.473 ( 3.203 1.127 -2.222) 4.058 3.488 ( 2.538 0.468 -2.413) 3.533 3.614 ( -2.249 1.264 1.718) 3.099 3.690 ( -0.099 2.003 -1.773) 2.677 3.782 ( 0.162 -0.563 3.010) 3.066 3.807 ( -0.410 -0.558 -0.859) 1.103 3.927 ( -1.259 0.133 1.202) 1.745 3.967 ( -1.017 0.534 -2.106) 2.399 4.246 ( -2.175 -0.616 2.450) 3.333 4.354 ( 1.994 -0.121 -2.732) 3.385 5.435 ( -1.266 -0.041 -0.047) 1.267 5.495 ( 1.975 -0.120 -0.519) 2.045 6.177 ( -1.086 -0.105 1.445) 1.811 6.228 ( 0.824 -0.156 -1.021) 1.321 6.550 ( -0.541 0.212 1.029) 1.182 6.570 ( -0.055 0.825 -0.638) 1.045 6.634 ( -0.079 -0.292 0.319) 0.439 6.649 ( 0.253 -0.583 -0.727) 0.966 6.897 ( -1.804 -0.133 3.653) 4.076 6.985 ( 0.771 -0.098 -2.363) 2.488 7.161 ( -0.216 0.098 0.440) 0.500 7.161 ( -0.215 0.122 0.438) 0.503 ======================= Grid point 167 (91/126) ======================= q-point: ( 0.20 0.25 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 1.043 8.277 -1.728) 8.520 1.176 ( 3.066 4.224 0.955) 5.306 1.264 ( 1.362 1.220 2.601) 3.180 1.325 ( 2.769 -0.834 2.223) 3.647 1.409 ( 3.187 -1.145 -0.727) 3.463 1.489 ( 5.387 0.305 -2.970) 6.158 1.555 ( 5.669 0.411 -1.461) 5.869 1.654 ( -1.072 2.528 1.462) 3.111 1.694 ( 0.713 -1.794 -0.179) 1.938 1.820 ( 1.780 -1.065 -0.028) 2.074 1.894 ( -0.319 -2.746 -1.194) 3.011 1.948 ( 1.437 -0.047 -3.400) 3.692 1.996 ( 4.946 1.619 -1.469) 5.407 2.085 ( 3.511 -1.486 -4.752) 6.092 2.092 ( 2.723 -0.185 -2.016) 3.393 2.177 ( 1.397 0.703 0.757) 1.737 2.283 ( -0.491 -0.693 -1.428) 1.661 2.324 ( -1.182 -2.112 0.154) 2.425 2.488 ( -1.118 2.362 -2.252) 3.450 2.505 ( -3.840 -0.656 -2.406) 4.579 2.556 ( -2.068 -0.654 0.177) 2.176 2.602 ( -1.212 0.703 1.191) 1.839 2.671 ( -1.500 0.472 0.382) 1.618 2.733 ( 3.043 0.276 -2.401) 3.886 2.776 ( -1.787 1.305 -0.102) 2.215 2.794 ( -1.809 2.944 2.351) 4.180 2.865 ( 5.205 0.491 -0.042) 5.228 3.035 ( 2.885 -4.835 0.461) 5.649 3.150 ( -3.681 -2.576 -1.310) 4.680 3.262 ( 0.860 0.444 -0.215) 0.991 3.309 ( 2.430 -1.012 0.004) 2.633 3.358 ( -1.040 0.247 -2.897) 3.088 3.485 ( 2.009 0.039 -2.322) 3.070 3.525 ( 2.060 1.938 -0.499) 2.872 3.619 ( -0.651 -0.298 2.334) 2.441 3.659 ( -1.892 0.418 -1.739) 2.603 3.788 ( 0.570 1.298 0.825) 1.640 3.830 ( -1.022 0.071 3.060) 3.227 3.918 ( -0.955 -0.373 0.158) 1.038 3.952 ( -0.688 0.639 3.021) 3.164 4.244 ( -2.260 -1.276 2.828) 3.838 4.355 ( 1.956 0.464 -2.288) 3.045 5.417 ( -0.828 0.031 -0.236) 0.861 5.518 ( 1.684 -0.145 -0.459) 1.751 6.177 ( -1.126 -0.069 1.409) 1.805 6.228 ( 0.866 -0.191 -1.095) 1.409 6.551 ( -0.752 0.261 0.832) 1.151 6.562 ( -0.001 0.965 -0.513) 1.093 6.633 ( -0.054 -0.782 -0.239) 0.819 6.646 ( 0.063 -0.153 -0.225) 0.280 6.911 ( -2.101 -0.209 3.603) 4.176 6.971 ( 1.062 0.129 -2.264) 2.504 7.161 ( -0.205 0.116 0.181) 0.297 7.163 ( -0.213 0.076 0.275) 0.356 ======================= Grid point 168 (92/126) ======================= q-point: ( 0.30 0.25 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.189 6.077 -2.684) 6.646 1.209 ( -0.966 -0.172 1.062) 1.446 1.327 ( 4.006 6.125 -2.472) 7.725 1.386 ( 1.745 -2.009 -0.086) 2.662 1.412 ( 2.255 -2.759 -2.341) 4.263 1.519 ( 3.596 0.098 -3.230) 4.834 1.596 ( 4.531 -0.797 -4.145) 6.193 1.656 ( 0.424 -1.924 -3.603) 4.107 1.711 ( 0.635 3.581 0.586) 3.684 1.813 ( 0.424 -0.927 -1.248) 1.611 1.880 ( -0.801 -0.930 -2.097) 2.430 1.911 ( 0.960 1.282 -5.958) 6.169 2.009 ( -0.200 -0.534 -4.479) 4.515 2.059 ( 2.746 1.698 -4.435) 5.485 2.103 ( 0.081 -0.833 -3.066) 3.178 2.185 ( -0.525 2.401 0.738) 2.566 2.265 ( 2.996 -0.312 -2.129) 3.688 2.357 ( 2.950 -3.083 2.395) 4.893 2.407 ( -3.089 -0.935 -2.040) 3.818 2.470 ( 2.411 0.000 -2.309) 3.339 2.503 ( -0.618 -1.335 -4.344) 4.586 2.598 ( -2.149 2.295 1.686) 3.567 2.650 ( -3.602 1.791 2.650) 4.817 2.700 ( 5.095 0.220 -8.735) 10.115 2.778 ( -1.441 1.322 4.596) 4.994 2.856 ( 1.853 -1.173 2.802) 3.558 2.950 ( 3.296 1.227 1.712) 3.912 3.039 ( -0.493 -1.478 -2.345) 2.815 3.156 ( 2.578 -1.635 2.727) 4.094 3.231 ( -1.904 2.259 -0.569) 3.009 3.335 ( 1.627 -1.313 -1.432) 2.534 3.352 ( 1.944 -2.291 -0.524) 3.050 3.482 ( 0.791 -0.149 -1.959) 2.118 3.513 ( -1.755 0.557 -1.554) 2.410 3.594 ( -3.099 -0.451 -1.015) 3.292 3.618 ( -2.313 0.991 -0.511) 2.568 3.814 ( 0.078 0.754 2.023) 2.160 3.859 ( -0.017 1.104 3.116) 3.306 3.927 ( 0.393 -1.490 2.935) 3.315 4.001 ( 0.555 1.418 4.383) 4.639 4.243 ( -2.335 -1.642 2.969) 4.118 4.359 ( 1.921 1.067 -1.978) 2.956 5.406 ( -0.438 0.065 0.047) 0.446 5.532 ( 1.208 -0.139 -0.912) 1.519 6.177 ( -1.144 -0.062 1.416) 1.821 6.229 ( 0.882 -0.196 -1.112) 1.433 6.548 ( -0.706 0.366 0.605) 1.000 6.558 ( 0.077 1.002 -0.238) 1.033 6.629 ( 0.102 -0.771 -0.533) 0.943 6.644 ( -0.212 -0.113 -0.017) 0.241 6.917 ( -2.519 -0.242 3.296) 4.155 6.965 ( 1.460 0.292 -1.999) 2.493 7.159 ( -0.228 0.035 0.155) 0.278 7.162 ( -0.121 0.059 0.109) 0.173 ======================= Grid point 169 (93/126) ======================= q-point: ( 0.40 0.25 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.457 1.455 -0.409) 1.579 1.194 ( -1.300 -1.547 -0.465) 2.073 1.295 ( -0.483 2.176 -5.685) 6.107 1.366 ( 1.229 -1.384 -2.815) 3.369 1.431 ( -1.309 0.181 -3.020) 3.296 1.489 ( -2.769 -1.787 -2.510) 4.142 1.532 ( -2.050 -1.381 -6.144) 6.622 1.631 ( 2.245 -0.293 -3.835) 4.453 1.740 ( -1.554 1.193 -6.043) 6.352 1.775 ( 0.622 -0.246 -5.871) 5.909 1.820 ( 1.544 0.226 -2.571) 3.007 1.839 ( 2.281 1.044 -5.814) 6.332 1.971 ( -3.223 3.486 -3.469) 5.880 1.984 ( -1.493 4.497 0.443) 4.759 2.103 ( 2.220 -1.123 -0.963) 2.668 2.202 ( 1.193 1.542 -0.127) 1.954 2.302 ( 0.947 -0.813 0.994) 1.595 2.363 ( 1.300 -2.123 -1.004) 2.684 2.429 ( -0.239 0.825 1.517) 1.743 2.452 ( 2.940 -1.844 -3.889) 5.212 2.524 ( 3.967 0.413 -0.712) 4.051 2.579 ( -1.317 1.662 1.180) 2.427 2.625 ( 2.196 -1.649 -3.254) 4.258 2.702 ( -0.839 1.711 -0.096) 1.908 2.820 ( 1.408 0.438 1.665) 2.225 2.872 ( -2.178 0.536 1.983) 2.994 2.987 ( -0.187 -1.055 1.569) 1.900 3.050 ( 2.172 -0.780 1.911) 2.997 3.166 ( 0.066 -0.102 -1.458) 1.463 3.286 ( 5.370 0.866 0.883) 5.510 3.328 ( 0.193 -0.990 -1.019) 1.434 3.375 ( 1.331 -1.541 -0.674) 2.145 3.448 ( -3.103 -0.253 -1.811) 3.602 3.460 ( -1.212 -0.847 -1.287) 1.960 3.555 ( -1.181 -0.002 -0.122) 1.188 3.562 ( -2.682 0.819 -0.883) 2.940 3.834 ( -0.177 -0.156 1.650) 1.667 3.884 ( -0.144 1.062 1.182) 1.595 3.994 ( 1.781 -0.645 4.339) 4.734 4.057 ( 0.295 1.301 3.560) 3.801 4.244 ( -2.232 -1.491 3.082) 4.087 4.365 ( 1.864 1.343 -2.040) 3.073 5.405 ( -0.222 0.061 0.729) 0.764 5.532 ( 0.729 -0.100 -1.699) 1.851 6.177 ( -1.131 -0.080 1.476) 1.861 6.229 ( 0.854 -0.185 -1.066) 1.378 6.545 ( -0.773 0.390 0.722) 1.127 6.559 ( 0.366 1.100 -0.284) 1.194 6.625 ( 0.241 -0.621 -0.429) 0.792 6.639 ( -0.279 -0.165 -0.181) 0.371 6.912 ( -2.895 -0.211 2.944) 4.135 6.969 ( 1.856 0.291 -1.703) 2.536 7.157 ( -0.348 -0.057 0.246) 0.430 7.162 ( -0.028 0.014 0.056) 0.065 ======================= Grid point 170 (94/126) ======================= q-point: (-0.50 0.25 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -1.106 -1.664 1.564) 2.538 1.146 ( -4.585 -2.040 -0.995) 5.116 1.223 ( -3.172 -1.643 -3.954) 5.329 1.259 ( -2.929 -2.667 -6.306) 7.447 1.377 ( -5.316 -1.017 -0.408) 5.428 1.410 ( -0.249 0.463 -2.818) 2.867 1.463 ( -1.554 1.732 -2.893) 3.713 1.562 ( -0.392 -1.450 -7.843) 7.985 1.645 ( 0.527 1.063 -2.038) 2.359 1.697 ( -1.302 0.505 -4.969) 5.161 1.787 ( -2.772 2.600 -1.097) 3.956 1.862 ( 0.387 3.704 -3.231) 4.930 1.934 ( 3.542 0.285 1.100) 3.720 1.974 ( 0.059 5.436 -1.262) 5.581 2.124 ( 0.586 -2.210 -0.568) 2.356 2.190 ( -0.811 -1.209 -1.948) 2.432 2.318 ( -1.907 -0.936 1.218) 2.449 2.365 ( 0.023 -2.282 0.001) 2.282 2.459 ( 3.162 2.370 0.948) 4.064 2.468 ( -1.901 0.751 -0.447) 2.092 2.496 ( -3.124 2.631 1.085) 4.226 2.565 ( -3.814 -0.678 -3.371) 5.135 2.636 ( 1.739 1.906 -1.041) 2.783 2.676 ( 3.634 0.762 -2.406) 4.424 2.842 ( -1.174 -0.950 4.134) 4.402 2.917 ( 3.864 -1.318 1.562) 4.371 3.033 ( 1.732 -0.849 2.851) 3.442 3.062 ( -3.576 -1.514 1.618) 4.207 3.185 ( 3.616 -0.372 0.034) 3.635 3.311 ( -2.894 -0.688 -1.348) 3.265 3.332 ( 2.372 0.247 -2.384) 3.372 3.369 ( 3.070 -0.386 -5.077) 5.946 3.413 ( -0.986 -0.218 0.937) 1.378 3.438 ( 1.083 -1.113 -0.052) 1.554 3.540 ( -0.118 0.146 0.658) 0.684 3.551 ( 1.195 0.029 -0.251) 1.222 3.850 ( -0.104 -0.182 1.401) 1.416 3.880 ( -1.325 1.240 0.097) 1.817 4.063 ( 1.269 -0.309 2.939) 3.216 4.090 ( -0.249 0.703 1.770) 1.921 4.250 ( -1.814 -0.609 3.166) 3.699 4.367 ( 1.795 1.008 -2.320) 3.102 5.416 ( -0.227 0.033 1.589) 1.605 5.516 ( 0.477 -0.056 -2.427) 2.474 6.177 ( -1.136 -0.085 1.516) 1.896 6.229 ( 0.775 -0.195 -1.012) 1.289 6.541 ( -0.839 0.471 0.750) 1.220 6.562 ( 0.559 1.053 -0.315) 1.233 6.625 ( -0.064 -0.499 -0.110) 0.515 6.634 ( 0.330 -0.183 -0.450) 0.588 6.900 ( -3.057 -0.078 2.661) 4.053 6.981 ( 2.118 0.132 -1.453) 2.572 7.155 ( -0.486 -0.135 0.365) 0.622 7.162 ( -0.125 -0.044 0.076) 0.153 ======================= Grid point 171 (95/126) ======================= q-point: (-0.40 0.25 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -11.407 -1.934 -0.544) 11.582 1.075 ( -4.170 -3.605 4.453) 7.086 1.126 ( -4.723 0.711 1.084) 4.897 1.233 ( 1.955 -1.804 -1.433) 3.022 1.286 ( -3.911 0.122 1.116) 4.069 1.367 ( -3.254 -4.541 1.485) 5.781 1.460 ( 2.151 1.329 -0.449) 2.568 1.514 ( 0.100 1.398 -0.705) 1.569 1.607 ( -1.763 1.612 -2.608) 3.537 1.666 ( -0.663 2.068 0.479) 2.224 1.711 ( -3.889 2.742 -0.802) 4.826 1.854 ( 0.245 4.807 -0.705) 4.864 1.938 ( -0.469 2.280 -2.194) 3.199 2.012 ( 2.680 -0.151 0.357) 2.708 2.096 ( -5.842 -2.971 1.635) 6.754 2.148 ( -2.083 -1.663 -1.255) 2.946 2.235 ( -6.426 2.176 0.073) 6.784 2.348 ( -3.603 -2.665 -0.672) 4.531 2.405 ( -1.921 0.552 -0.719) 2.124 2.432 ( -2.839 0.016 -1.179) 3.074 2.483 ( -1.958 0.233 1.330) 2.378 2.569 ( 2.914 0.935 1.769) 3.535 2.655 ( 2.213 2.577 -1.222) 3.610 2.720 ( 4.620 2.176 -1.944) 5.464 2.855 ( -2.026 -2.982 0.896) 3.715 2.983 ( 3.854 0.439 -0.940) 3.991 3.041 ( -0.262 -1.684 1.030) 1.992 3.088 ( -1.020 -0.715 5.442) 5.583 3.204 ( -2.706 0.110 -0.555) 2.764 3.257 ( 0.531 -2.828 -2.562) 3.853 3.321 ( 0.674 0.294 -4.473) 4.533 3.360 ( 2.901 -0.020 -1.690) 3.357 3.413 ( 0.639 -0.612 0.985) 1.324 3.495 ( 4.432 -1.068 -1.375) 4.762 3.542 ( 1.263 1.013 -0.335) 1.653 3.594 ( 3.848 -0.289 -0.452) 3.885 3.852 ( -2.090 0.771 0.420) 2.267 3.862 ( -0.919 0.409 1.285) 1.632 4.087 ( -0.923 -0.031 -0.092) 0.929 4.103 ( 0.531 0.267 1.126) 1.274 4.261 ( -1.443 0.380 2.677) 3.064 4.365 ( 1.718 0.223 -2.441) 2.993 5.434 ( -0.456 -0.012 2.305) 2.349 5.492 ( 0.562 -0.031 -2.783) 2.840 6.177 ( -1.170 -0.055 1.487) 1.894 6.229 ( 0.683 -0.231 -0.985) 1.221 6.537 ( -0.813 0.478 0.668) 1.156 6.568 ( 0.563 0.842 -0.254) 1.044 6.620 ( -0.218 -0.061 -0.102) 0.248 6.639 ( 0.852 -0.466 -0.318) 1.021 6.884 ( -2.892 0.121 2.504) 3.828 6.997 ( 2.091 -0.098 -1.334) 2.482 7.151 ( -0.612 -0.177 0.479) 0.797 7.160 ( -0.321 -0.065 0.144) 0.357 ======================= Grid point 172 (96/126) ======================= q-point: (-0.30 0.25 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -11.121 2.694 5.931) 12.888 1.029 ( -10.200 5.668 7.679) 13.969 1.149 ( 0.407 -5.275 6.869) 8.670 1.253 ( 0.773 -1.643 1.014) 2.080 1.293 ( -2.448 -1.231 6.102) 6.689 1.359 ( -1.678 -2.585 3.104) 4.374 1.484 ( -3.686 2.842 0.810) 4.724 1.510 ( -0.333 1.764 2.159) 2.808 1.577 ( -0.749 -0.602 3.355) 3.490 1.646 ( -2.199 1.017 2.085) 3.197 1.700 ( 1.024 2.568 2.119) 3.484 1.786 ( -11.272 3.133 4.062) 12.384 1.904 ( -1.080 -1.312 -1.433) 2.223 2.000 ( -5.015 -0.040 4.036) 6.438 2.048 ( -0.945 2.677 0.471) 2.878 2.102 ( -2.033 -0.056 -0.906) 2.226 2.212 ( -0.470 0.150 -0.355) 0.607 2.262 ( -3.509 -1.983 -1.631) 4.348 2.380 ( -1.909 -2.639 0.548) 3.303 2.399 ( -1.018 -1.125 -0.525) 1.606 2.477 ( 1.615 -1.817 -0.229) 2.442 2.603 ( 0.895 -2.131 -0.264) 2.327 2.686 ( 2.610 2.855 -0.574) 3.911 2.736 ( 0.243 1.952 -1.914) 2.744 2.850 ( 2.055 2.093 -0.103) 2.935 2.993 ( -1.150 3.633 -1.032) 3.948 3.056 ( 1.555 -4.226 -0.757) 4.567 3.137 ( -1.107 -0.552 -2.639) 2.914 3.145 ( -1.598 -0.842 4.887) 5.210 3.224 ( -0.237 -2.206 -2.760) 3.541 3.299 ( 1.763 -1.139 -2.721) 3.437 3.376 ( 1.229 0.359 -1.405) 1.900 3.448 ( 1.121 -0.100 1.068) 1.551 3.501 ( 0.705 0.223 -2.022) 2.153 3.589 ( 4.046 0.443 -0.687) 4.128 3.648 ( 4.858 -0.769 -1.757) 5.223 3.830 ( -1.786 0.588 0.949) 2.106 3.854 ( -2.315 0.528 1.764) 2.958 4.060 ( -0.924 -0.762 -2.011) 2.341 4.111 ( 0.004 0.856 -0.434) 0.960 4.265 ( -1.513 0.964 1.849) 2.576 4.363 ( 1.649 -0.484 -2.220) 2.808 5.454 ( -0.847 -0.076 2.562) 2.700 5.470 ( 0.914 -0.028 -2.690) 2.841 6.177 ( -1.187 -0.032 1.437) 1.864 6.227 ( 0.649 -0.247 -0.954) 1.180 6.533 ( -0.694 0.347 0.662) 1.020 6.573 ( 0.445 0.542 -0.208) 0.731 6.618 ( 0.069 0.304 -0.010) 0.312 6.649 ( 0.800 -0.619 -0.284) 1.051 6.873 ( -2.504 0.280 2.503) 3.551 7.011 ( 1.794 -0.281 -1.389) 2.286 7.148 ( -0.624 -0.139 0.598) 0.875 7.156 ( -0.456 -0.062 0.306) 0.553 ======================= Grid point 173 (97/126) ======================= q-point: (-0.20 0.25 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -5.999 9.467 11.309) 15.922 0.946 ( -12.927 11.023 7.807) 18.697 1.242 ( 0.197 -1.706 4.088) 4.434 1.283 ( -1.073 -4.687 4.013) 6.263 1.325 ( -5.046 -3.065 9.731) 11.382 1.380 ( -3.878 -1.321 3.078) 5.124 1.407 ( -1.389 0.365 -0.067) 1.438 1.521 ( -0.579 2.937 4.529) 5.429 1.643 ( -7.060 1.763 8.594) 11.261 1.676 ( 0.787 -2.239 5.080) 5.607 1.721 ( -4.394 1.494 11.438) 12.344 1.769 ( 1.942 0.337 2.792) 3.417 1.878 ( -1.656 -1.131 1.193) 2.333 1.997 ( -1.531 -0.636 3.318) 3.709 2.029 ( -2.959 1.033 1.679) 3.556 2.072 ( 0.093 0.938 -1.274) 1.585 2.140 ( -4.807 2.678 0.183) 5.506 2.245 ( -0.240 -2.099 0.685) 2.221 2.349 ( -1.334 -3.779 -0.855) 4.098 2.406 ( 1.176 -2.789 0.874) 3.151 2.525 ( 3.896 -1.466 -0.652) 4.214 2.603 ( 1.074 -1.340 -1.775) 2.470 2.704 ( 0.797 1.840 -0.636) 2.104 2.727 ( 2.470 2.363 -2.066) 3.994 2.880 ( 0.955 2.906 -0.985) 3.214 2.958 ( -0.939 2.161 -0.735) 2.468 3.049 ( 0.649 -3.762 -3.027) 4.872 3.083 ( -0.269 -0.115 -2.491) 2.508 3.167 ( -2.175 -1.872 1.107) 3.076 3.210 ( -0.339 -1.439 1.649) 2.215 3.298 ( 2.466 -0.786 -3.312) 4.203 3.367 ( 1.233 1.416 -2.708) 3.295 3.454 ( 0.028 0.225 -0.050) 0.232 3.503 ( 0.352 0.668 0.415) 0.862 3.629 ( 1.673 0.010 -0.273) 1.695 3.689 ( 3.376 -1.265 -2.380) 4.320 3.814 ( -1.390 0.667 0.622) 1.663 3.843 ( -2.350 1.121 2.247) 3.439 4.014 ( -0.632 -1.484 -3.361) 3.728 4.094 ( -0.099 0.831 -2.297) 2.444 4.261 ( -1.601 1.181 1.605) 2.556 4.362 ( 1.599 -0.745 -2.157) 2.787 5.458 ( 1.371 -0.040 -2.243) 2.629 5.467 ( -1.265 -0.145 2.208) 2.549 6.176 ( -1.153 -0.061 1.431) 1.839 6.226 ( 0.686 -0.206 -0.904) 1.153 6.532 ( -0.484 0.211 0.773) 0.936 6.576 ( 0.335 0.351 -0.171) 0.514 6.621 ( 0.209 0.445 0.079) 0.498 6.656 ( 0.585 -0.694 -0.393) 0.989 6.868 ( -2.112 0.303 2.664) 3.413 7.017 ( 1.372 -0.349 -1.612) 2.145 7.147 ( -0.490 -0.029 0.727) 0.878 7.154 ( -0.423 -0.070 0.540) 0.689 ======================= Grid point 174 (98/126) ======================= q-point: (-0.10 0.25 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -8.316 10.005 9.369) 16.032 0.903 ( -0.718 11.018 12.619) 16.768 1.225 ( -6.423 -0.900 2.592) 6.985 1.265 ( -5.424 0.127 2.408) 5.936 1.322 ( -3.234 -4.420 2.968) 6.230 1.394 ( 1.349 1.587 3.738) 4.279 1.444 ( 1.007 -1.073 1.308) 1.968 1.610 ( 0.392 0.566 6.684) 6.719 1.677 ( -2.392 1.534 8.688) 9.141 1.699 ( -3.806 -2.204 6.289) 7.674 1.782 ( 1.256 -2.116 2.113) 3.243 1.847 ( -1.501 0.526 5.725) 5.942 1.894 ( 2.097 0.328 2.564) 3.328 1.990 ( -1.828 3.258 0.805) 3.822 2.021 ( -1.439 -0.590 1.422) 2.107 2.082 ( 0.177 0.491 4.464) 4.494 2.150 ( 0.230 -0.451 4.498) 4.526 2.285 ( 1.880 -1.597 5.171) 5.729 2.328 ( 0.337 -2.898 -0.315) 2.935 2.437 ( 0.695 -2.239 1.414) 2.737 2.529 ( -1.416 -1.670 -0.595) 2.269 2.635 ( 4.492 -0.464 -1.226) 4.680 2.703 ( 0.571 2.354 -1.283) 2.741 2.745 ( 2.066 1.683 -1.351) 2.987 2.838 ( -2.505 1.675 -2.601) 3.981 2.947 ( 0.459 1.142 -2.281) 2.592 3.018 ( 0.654 -3.392 -4.028) 5.307 3.053 ( -0.087 -2.093 -3.287) 3.898 3.152 ( -0.634 -0.647 1.247) 1.542 3.217 ( -2.230 -0.549 2.982) 3.764 3.299 ( 1.964 -0.940 -1.358) 2.566 3.359 ( 1.699 2.082 -2.590) 3.732 3.467 ( 2.106 0.580 -1.317) 2.550 3.503 ( 0.084 0.754 -0.968) 1.230 3.643 ( 0.630 -1.072 0.613) 1.387 3.693 ( 0.794 -1.048 -1.977) 2.375 3.800 ( -1.884 1.890 -0.340) 2.690 3.833 ( -1.854 1.448 2.282) 3.277 3.968 ( -0.145 -2.055 -3.214) 3.817 4.056 ( -0.083 0.676 -3.651) 3.714 4.256 ( -1.624 0.888 1.727) 2.532 4.360 ( 1.740 -0.698 -2.449) 3.085 5.459 ( 1.785 -0.058 -1.631) 2.419 5.467 ( -1.559 -0.169 1.428) 2.121 6.176 ( -1.098 -0.117 1.460) 1.831 6.227 ( 0.740 -0.147 -0.885) 1.163 6.537 ( -0.296 0.173 0.925) 0.986 6.579 ( 0.225 0.396 -0.228) 0.509 6.625 ( 0.155 0.313 0.172) 0.389 6.657 ( 0.368 -0.739 -0.569) 1.003 6.871 ( -1.850 0.181 2.991) 3.521 7.014 ( 0.967 -0.338 -1.947) 2.200 7.150 ( -0.291 0.090 0.805) 0.860 7.156 ( -0.310 -0.059 0.667) 0.739 ======================= Grid point 175 (99/126) ======================= q-point: ( 0.00 -0.50 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -1.204 0.000 5.993) 6.113 1.048 ( -2.899 -0.000 5.254) 6.001 1.205 ( -3.002 -0.000 8.102) 8.640 1.251 ( -0.678 0.000 4.035) 4.091 1.254 ( -2.530 0.000 3.249) 4.118 1.490 ( 4.521 0.000 3.063) 5.461 1.558 ( 0.550 -0.000 -2.427) 2.489 1.600 ( 0.507 0.000 2.226) 2.283 1.676 ( -1.047 0.000 1.839) 2.116 1.806 ( -1.605 0.000 5.006) 5.257 1.821 ( 3.729 -0.000 2.614) 4.554 1.879 ( 0.938 -0.000 0.606) 1.117 1.965 ( 2.329 -0.000 5.391) 5.873 1.968 ( 0.916 0.000 -1.640) 1.879 2.051 ( -2.514 -0.000 -0.924) 2.678 2.066 ( 3.187 0.000 -1.168) 3.394 2.246 ( -0.689 0.000 3.196) 3.270 2.308 ( -1.744 0.000 13.732) 13.842 2.425 ( 1.073 -0.000 7.971) 8.043 2.434 ( 3.833 0.000 -1.059) 3.976 2.503 ( 0.371 0.000 2.279) 2.309 2.666 ( 0.938 -0.000 -1.555) 1.815 2.738 ( -2.911 -0.000 -0.333) 2.930 2.742 ( 1.821 0.000 -1.076) 2.115 2.788 ( -2.630 0.000 -2.071) 3.347 2.905 ( -1.419 0.000 -0.651) 1.562 2.958 ( 0.795 -0.380 -7.978) 8.027 2.958 ( -0.765 0.380 -3.437) 3.542 3.161 ( 0.284 0.000 2.833) 2.848 3.222 ( -1.302 -0.000 3.190) 3.445 3.339 ( 5.854 -0.000 -0.492) 5.875 3.342 ( -2.511 0.000 -4.239) 4.927 3.487 ( 2.519 -0.000 -2.766) 3.741 3.488 ( 1.611 0.000 -2.581) 3.043 3.653 ( -1.290 0.000 -0.826) 1.532 3.692 ( 2.580 0.000 2.221) 3.404 3.805 ( -3.541 -0.000 0.965) 3.670 3.809 ( -1.147 0.000 -2.163) 2.448 3.923 ( -0.266 0.000 0.463) 0.534 4.020 ( -0.247 -0.000 -3.280) 3.289 4.254 ( -2.290 -0.000 1.504) 2.740 4.351 ( 2.262 0.000 -2.803) 3.602 5.453 ( -1.526 -0.000 0.592) 1.637 5.472 ( 1.978 0.000 -0.982) 2.208 6.175 ( -1.060 0.000 1.472) 1.814 6.226 ( 0.742 -0.000 -0.895) 1.163 6.547 ( -0.495 0.000 1.288) 1.380 6.585 ( 0.303 -0.000 -0.405) 0.506 6.636 ( -0.356 -0.000 -0.154) 0.388 6.638 ( 0.602 0.000 -0.536) 0.806 6.882 ( -1.800 0.000 3.297) 3.756 6.998 ( 0.778 -0.000 -2.177) 2.312 7.159 ( -0.176 0.000 0.749) 0.769 7.159 ( -0.273 -0.000 0.694) 0.746 ======================= Grid point 177 (100/126) ======================= q-point: ( 0.10 -0.50 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 2.480 -0.000 4.865) 5.461 1.158 ( 6.748 0.000 4.855) 8.313 1.237 ( -1.186 0.000 3.066) 3.288 1.282 ( 0.700 0.000 1.510) 1.664 1.305 ( 1.063 -0.000 5.825) 5.921 1.512 ( 1.152 0.000 -4.671) 4.810 1.570 ( 0.347 0.000 1.741) 1.775 1.597 ( -1.482 -0.000 -0.849) 1.708 1.717 ( 1.857 -0.000 3.395) 3.869 1.818 ( 0.285 0.000 -3.906) 3.917 1.842 ( 0.010 -0.000 2.085) 2.085 1.897 ( 2.447 0.000 -1.345) 2.792 2.003 ( 2.372 0.000 -1.401) 2.755 2.031 ( 4.697 -0.000 -0.410) 4.715 2.053 ( 1.275 0.000 0.630) 1.422 2.116 ( 4.174 0.000 0.398) 4.193 2.263 ( -1.323 -0.000 3.138) 3.406 2.373 ( 0.314 0.000 -4.027) 4.039 2.487 ( -1.069 0.000 10.829) 10.882 2.537 ( 1.394 0.000 4.034) 4.268 2.555 ( 0.031 0.000 1.120) 1.121 2.637 ( -1.624 0.000 0.898) 1.855 2.674 ( -3.992 -0.000 -2.622) 4.776 2.750 ( 0.461 0.000 -2.353) 2.398 2.756 ( 1.406 -0.000 2.054) 2.490 2.867 ( 0.894 0.000 -6.156) 6.220 2.903 ( -3.306 -0.000 -0.411) 3.331 2.910 ( 2.242 0.000 -1.870) 2.919 3.208 ( -5.327 -0.279 -0.084) 5.335 3.208 ( 1.273 0.279 2.586) 2.896 3.274 ( 1.734 -0.000 -1.926) 2.592 3.409 ( 3.254 0.000 -2.671) 4.210 3.486 ( 2.229 -0.000 -2.870) 3.634 3.492 ( 3.389 0.000 -1.794) 3.835 3.629 ( -2.586 0.000 1.842) 3.175 3.723 ( 0.107 -0.000 -2.956) 2.958 3.776 ( -1.147 -0.000 1.198) 1.659 3.790 ( 0.730 0.000 2.031) 2.158 3.932 ( -1.163 0.000 2.745) 2.981 3.972 ( -1.403 0.000 -2.923) 3.242 4.238 ( -2.561 0.000 2.172) 3.358 4.353 ( 2.258 0.000 -2.579) 3.428 5.435 ( -1.218 0.000 -0.019) 1.218 5.493 ( 1.963 0.000 -0.540) 2.036 6.176 ( -1.072 0.000 1.475) 1.824 6.226 ( 0.779 0.000 -1.007) 1.273 6.553 ( -0.650 0.000 1.193) 1.358 6.583 ( 0.228 0.000 -0.698) 0.734 6.628 ( -0.319 0.000 -0.301) 0.439 6.641 ( 0.393 -0.000 -0.205) 0.443 6.896 ( -1.817 0.000 3.556) 3.993 6.984 ( 0.874 0.000 -2.267) 2.430 7.162 ( -0.238 0.000 0.475) 0.531 7.163 ( -0.231 -0.000 0.471) 0.525 ======================= Grid point 179 (101/126) ======================= q-point: ( 0.20 -0.50 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.277 -0.000 2.913) 2.927 1.271 ( -2.394 0.000 0.698) 2.493 1.272 ( 0.626 -0.000 5.307) 5.344 1.332 ( 7.397 0.000 0.429) 7.410 1.353 ( 1.668 -0.000 -2.146) 2.718 1.505 ( 6.325 0.000 -3.317) 7.142 1.583 ( 3.015 0.000 -2.583) 3.970 1.591 ( 3.023 -0.000 -2.028) 3.640 1.765 ( -1.274 -0.000 1.723) 2.143 1.782 ( 0.798 0.000 -3.000) 3.105 1.863 ( 1.055 -0.000 2.026) 2.284 1.929 ( 2.241 0.000 -0.283) 2.259 2.028 ( 2.467 -0.000 -2.769) 3.708 2.057 ( 3.309 0.000 -3.903) 5.117 2.080 ( 4.116 0.000 -3.023) 5.107 2.193 ( 3.530 -0.000 1.749) 3.939 2.272 ( -1.701 -0.000 0.925) 1.936 2.304 ( -1.603 -0.000 -3.111) 3.500 2.493 ( -3.911 0.000 -3.218) 5.065 2.519 ( -0.682 0.000 -3.943) 4.002 2.560 ( -2.236 0.000 -0.977) 2.440 2.611 ( -0.714 -0.000 2.529) 2.628 2.664 ( -0.448 -0.000 1.755) 1.811 2.733 ( 2.850 0.000 -3.130) 4.233 2.805 ( -0.127 0.000 -4.076) 4.078 2.813 ( -3.474 -0.000 3.254) 4.759 2.914 ( 4.652 0.000 5.848) 7.473 2.946 ( 3.724 -0.000 -1.502) 4.016 3.119 ( -3.771 0.000 -0.630) 3.823 3.257 ( 1.339 0.000 1.466) 1.985 3.302 ( 2.764 -0.000 -0.803) 2.879 3.363 ( -1.411 -0.000 -4.581) 4.793 3.486 ( 1.460 -0.000 -1.939) 2.427 3.545 ( 1.621 -0.000 0.023) 1.621 3.616 ( -0.915 -0.000 1.921) 2.128 3.663 ( -1.820 0.000 -3.808) 4.220 3.808 ( 1.373 0.000 3.180) 3.464 3.828 ( -1.207 0.000 3.392) 3.600 3.913 ( -1.983 -0.000 -1.784) 2.667 3.960 ( -0.022 -0.000 3.874) 3.874 4.228 ( -2.708 -0.000 2.946) 4.002 4.360 ( 2.279 0.000 -2.115) 3.109 5.417 ( -0.793 0.000 -0.221) 0.823 5.516 ( 1.696 0.000 -0.489) 1.765 6.177 ( -1.119 0.000 1.428) 1.814 6.226 ( 0.830 -0.000 -1.073) 1.356 6.555 ( -0.845 0.000 1.058) 1.354 6.577 ( 0.298 0.000 -0.820) 0.873 6.620 ( -0.149 -0.000 -0.317) 0.350 6.644 ( 0.091 -0.000 -0.069) 0.114 6.908 ( -2.087 0.000 3.532) 4.102 6.973 ( 1.172 0.000 -2.177) 2.472 7.163 ( -0.174 -0.000 0.211) 0.274 7.163 ( -0.300 0.000 0.244) 0.387 ======================= Grid point 181 (102/126) ======================= q-point: ( 0.30 -0.50 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -4.742 0.000 1.670) 5.027 1.200 ( -4.311 -0.000 -1.500) 4.564 1.306 ( 1.235 -0.000 -2.853) 3.109 1.403 ( 4.290 -0.000 2.856) 5.154 1.409 ( 2.775 0.000 -1.861) 3.341 1.560 ( 4.927 0.000 -6.728) 8.339 1.566 ( 1.118 -0.000 -6.897) 6.987 1.623 ( 5.380 -0.000 -3.966) 6.684 1.755 ( -1.333 0.000 1.603) 2.085 1.791 ( 2.540 0.000 -0.251) 2.552 1.888 ( 1.387 -0.000 -1.676) 2.176 1.916 ( -0.121 0.000 -6.531) 6.533 2.019 ( -0.518 0.000 -1.647) 1.727 2.069 ( 3.198 0.000 -2.837) 4.275 2.071 ( 2.191 -0.000 -5.337) 5.770 2.219 ( -1.908 0.000 0.387) 1.947 2.279 ( 3.901 -0.000 0.394) 3.921 2.297 ( 1.270 0.000 0.236) 1.291 2.407 ( 0.029 0.000 -1.856) 1.856 2.473 ( 0.229 0.000 -2.826) 2.835 2.491 ( -1.054 -0.000 -4.423) 4.547 2.629 ( -2.479 0.000 2.713) 3.675 2.667 ( -0.460 0.000 -7.575) 7.589 2.685 ( 2.139 -0.000 0.046) 2.140 2.811 ( -1.908 0.000 5.713) 6.023 2.833 ( 1.478 0.000 2.272) 2.710 2.958 ( 1.995 -0.000 -2.840) 3.471 3.060 ( 3.977 -0.000 2.002) 4.452 3.109 ( 1.446 0.000 1.676) 2.213 3.255 ( -2.472 -0.000 1.653) 2.974 3.320 ( 1.744 0.000 -2.416) 2.980 3.326 ( 2.207 -0.000 -1.562) 2.704 3.481 ( -0.066 -0.000 -1.173) 1.175 3.516 ( -2.456 0.000 -1.896) 3.103 3.590 ( -2.766 -0.000 -1.822) 3.312 3.629 ( -1.427 -0.000 -0.006) 1.427 3.834 ( -2.050 0.000 2.443) 3.190 3.857 ( 0.634 -0.000 2.021) 2.118 3.913 ( 1.626 0.000 3.090) 3.491 4.018 ( 0.665 -0.000 4.422) 4.471 4.224 ( -2.819 -0.000 3.428) 4.438 4.371 ( 2.236 0.000 -1.883) 2.924 5.407 ( -0.427 0.000 0.047) 0.429 5.531 ( 1.240 0.000 -0.927) 1.548 6.176 ( -1.140 0.000 1.400) 1.806 6.226 ( 0.856 -0.000 -1.068) 1.369 6.553 ( -0.922 0.000 0.954) 1.327 6.574 ( 0.498 0.000 -0.742) 0.894 6.616 ( 0.018 -0.000 -0.236) 0.237 6.642 ( -0.154 -0.000 -0.150) 0.215 6.914 ( -2.510 0.000 3.280) 4.130 6.969 ( 1.512 0.000 -1.976) 2.488 7.160 ( -0.345 -0.000 0.173) 0.386 7.162 ( -0.070 0.000 0.043) 0.082 ======================= Grid point 183 (103/126) ======================= q-point: ( 0.40 -0.50 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -4.591 0.000 1.882) 4.962 1.130 ( -2.387 -0.000 -1.460) 2.798 1.272 ( 0.282 0.000 -5.444) 5.452 1.357 ( -2.352 0.000 -6.379) 6.799 1.465 ( 0.230 -0.000 -2.513) 2.524 1.505 ( -2.003 -0.000 -5.620) 5.966 1.508 ( 0.873 0.000 -0.950) 1.290 1.619 ( 1.990 -0.000 -6.486) 6.784 1.753 ( 0.620 0.000 -0.237) 0.664 1.758 ( -3.545 -0.000 -9.204) 9.863 1.838 ( 4.040 0.000 -3.465) 5.323 1.849 ( -0.938 -0.000 -6.721) 6.786 1.999 ( -1.570 0.000 0.201) 1.583 2.050 ( 0.415 0.000 0.338) 0.535 2.081 ( 2.078 0.000 -1.708) 2.690 2.219 ( 0.429 0.000 -1.103) 1.184 2.306 ( 0.470 -0.000 0.110) 0.483 2.326 ( 1.526 0.000 -0.504) 1.607 2.430 ( 3.049 0.000 -2.310) 3.825 2.466 ( 1.701 0.000 -0.178) 1.710 2.506 ( 6.185 0.000 1.846) 6.455 2.591 ( 2.704 -0.000 -6.976) 7.482 2.606 ( -3.539 0.000 2.031) 4.080 2.719 ( -1.916 -0.000 2.250) 2.956 2.834 ( -0.673 0.000 0.375) 0.770 2.876 ( 0.599 0.000 4.228) 4.271 2.998 ( 3.717 -0.000 0.920) 3.829 3.024 ( -4.008 -0.000 -2.013) 4.485 3.157 ( 1.735 -0.000 0.255) 1.754 3.304 ( 2.307 0.000 1.763) 2.904 3.309 ( 1.922 -0.000 -2.422) 3.092 3.358 ( 3.264 0.000 0.053) 3.264 3.445 ( -3.528 0.000 -1.746) 3.936 3.447 ( -2.194 -0.000 -1.027) 2.422 3.555 ( -0.486 0.000 -0.222) 0.534 3.574 ( -3.299 -0.000 -1.347) 3.564 3.835 ( -0.995 0.000 1.855) 2.105 3.890 ( 1.044 -0.000 0.671) 1.241 3.990 ( 1.841 0.000 4.344) 4.718 4.072 ( 0.123 -0.000 3.397) 3.399 4.226 ( -2.412 -0.000 3.814) 4.513 4.380 ( 1.936 0.000 -2.071) 2.835 5.406 ( -0.229 0.000 0.719) 0.755 5.530 ( 0.764 -0.000 -1.693) 1.858 6.176 ( -1.114 0.000 1.432) 1.814 6.227 ( 0.823 -0.000 -1.019) 1.310 6.550 ( -0.903 0.000 0.942) 1.305 6.575 ( 0.636 0.000 -0.591) 0.868 6.615 ( 0.143 -0.000 -0.161) 0.216 6.636 ( -0.165 -0.000 -0.341) 0.379 6.910 ( -2.863 0.000 2.973) 4.127 6.972 ( 1.807 0.000 -1.725) 2.498 7.157 ( -0.423 -0.000 0.237) 0.485 7.162 ( -0.028 0.000 0.001) 0.028 ======================= Grid point 185 (104/126) ======================= q-point: (-0.50 -0.50 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -4.692 0.001 0.916) 4.781 1.078 ( -2.728 -0.001 -2.028) 3.399 1.196 ( -2.208 0.000 -3.524) 4.159 1.243 ( -2.658 0.000 -3.504) 4.399 1.367 ( -5.568 0.000 -4.793) 7.347 1.398 ( -5.840 -0.000 -1.213) 5.965 1.520 ( 2.220 -0.000 -1.602) 2.738 1.532 ( 0.333 0.000 -9.601) 9.607 1.667 ( 1.747 -0.000 -2.577) 3.114 1.708 ( -2.190 0.000 -4.529) 5.031 1.821 ( 0.215 -0.000 1.139) 1.159 1.869 ( 3.468 0.000 -1.510) 3.783 1.945 ( -3.688 0.000 1.460) 3.967 2.066 ( -1.065 0.000 0.337) 1.117 2.075 ( 0.081 -0.000 -3.166) 3.167 2.178 ( 0.995 -0.000 -5.817) 5.901 2.315 ( -0.051 -0.000 1.045) 1.047 2.322 ( -1.697 0.000 0.158) 1.704 2.493 ( 2.555 0.000 0.712) 2.653 2.494 ( -1.346 -0.000 1.737) 2.197 2.535 ( -2.534 -0.000 0.806) 2.659 2.547 ( -3.832 0.000 -1.361) 4.066 2.654 ( 7.212 -0.000 -0.283) 7.217 2.685 ( 1.372 0.000 -2.065) 2.479 2.839 ( -6.788 -0.000 1.488) 6.949 2.888 ( 4.560 0.000 1.730) 4.877 3.026 ( -3.158 0.000 2.254) 3.880 3.039 ( 3.492 0.000 2.369) 4.220 3.178 ( 2.247 0.000 0.176) 2.253 3.305 ( -2.793 0.000 -1.591) 3.215 3.335 ( 3.637 -0.000 -2.988) 4.707 3.359 ( 1.130 0.000 -3.809) 3.973 3.419 ( -0.002 0.000 -0.219) 0.219 3.420 ( 0.309 -0.000 0.888) 0.941 3.542 ( 0.931 -0.000 0.537) 1.075 3.553 ( 0.508 0.000 -0.442) 0.674 3.848 ( -0.157 0.000 1.580) 1.588 3.894 ( -0.686 0.000 -0.497) 0.847 4.060 ( 1.243 0.000 3.283) 3.510 4.098 ( -0.682 -0.000 1.527) 1.672 4.243 ( -1.544 -0.000 3.938) 4.230 4.379 ( 1.508 -0.000 -2.518) 2.935 5.416 ( -0.242 0.000 1.571) 1.589 5.515 ( 0.491 -0.000 -2.407) 2.456 6.176 ( -1.089 0.000 1.469) 1.829 6.227 ( 0.727 0.000 -0.980) 1.221 6.547 ( -0.924 0.000 0.945) 1.321 6.578 ( 0.516 0.000 -0.498) 0.717 6.617 ( 0.275 0.000 -0.050) 0.280 6.631 ( 0.159 0.000 -0.514) 0.538 6.899 ( -2.968 0.000 2.737) 4.037 6.982 ( 1.975 0.000 -1.496) 2.477 7.153 ( -0.551 0.000 0.363) 0.660 7.161 ( -0.127 0.000 0.042) 0.134 ======================= Grid point 187 (105/126) ======================= q-point: (-0.40 -0.50 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -5.855 -0.000 -0.254) 5.861 1.000 ( -6.559 0.000 2.631) 7.067 1.141 ( -5.067 0.000 3.439) 6.124 1.218 ( 1.375 0.000 -0.426) 1.439 1.279 ( -1.541 0.000 0.774) 1.725 1.312 ( -6.843 -0.000 3.567) 7.716 1.455 ( 1.954 -0.000 -4.461) 4.870 1.541 ( 0.789 0.000 0.584) 0.982 1.633 ( -2.178 0.000 -2.337) 3.195 1.692 ( 2.899 -0.000 -0.741) 2.993 1.774 ( -5.966 0.000 0.077) 5.966 1.888 ( 1.053 -0.000 -2.351) 2.576 1.981 ( 2.738 -0.000 2.584) 3.765 2.006 ( -2.242 0.000 -4.694) 5.202 2.030 ( -5.065 -0.000 3.164) 5.972 2.136 ( -0.660 0.000 -2.331) 2.423 2.277 ( -4.825 -0.000 1.303) 4.998 2.303 ( -5.277 0.000 1.692) 5.542 2.417 ( -5.244 -0.000 -1.108) 5.360 2.438 ( -2.778 0.000 -1.577) 3.195 2.484 ( -4.748 0.000 1.336) 4.932 2.573 ( 1.083 0.000 -0.313) 1.127 2.716 ( 1.233 0.000 -0.109) 1.237 2.719 ( 4.938 -0.000 -2.444) 5.510 2.833 ( 3.896 -0.000 1.764) 4.277 2.956 ( 1.448 0.000 -0.175) 1.459 3.030 ( 1.480 0.000 3.846) 4.121 3.094 ( -0.849 0.000 1.974) 2.149 3.199 ( -1.050 0.000 -0.175) 1.065 3.223 ( -3.076 -0.000 -2.600) 4.028 3.326 ( 0.857 0.000 -4.918) 4.992 3.341 ( 1.754 -0.000 -0.639) 1.867 3.427 ( 2.436 0.000 -0.441) 2.475 3.473 ( 3.285 0.000 0.563) 3.333 3.560 ( 2.205 -0.000 -1.319) 2.569 3.587 ( 3.598 0.000 -0.289) 3.609 3.860 ( -0.841 -0.000 1.339) 1.582 3.867 ( -1.718 0.000 -0.317) 1.747 4.089 ( -1.185 -0.000 -0.419) 1.257 4.104 ( 0.535 0.000 1.863) 1.939 4.266 ( -1.250 -0.000 3.312) 3.540 4.368 ( 1.295 0.000 -2.849) 3.129 5.434 ( -0.472 0.000 2.272) 2.320 5.492 ( 0.545 -0.000 -2.751) 2.805 6.177 ( -1.102 0.000 1.440) 1.813 6.226 ( 0.626 0.000 -0.952) 1.139 6.544 ( -1.025 0.000 0.896) 1.362 6.578 ( 0.301 -0.000 -0.436) 0.530 6.623 ( 0.405 0.000 0.149) 0.432 6.630 ( 0.594 -0.000 -0.642) 0.874 6.886 ( -2.792 0.000 2.602) 3.816 6.996 ( 1.923 0.000 -1.368) 2.360 7.149 ( -0.643 0.000 0.507) 0.819 7.159 ( -0.321 0.000 0.146) 0.352 ======================= Grid point 189 (106/126) ======================= q-point: (-0.30 -0.50 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -3.219 -0.000 7.680) 8.328 0.971 ( -5.669 0.000 8.727) 10.407 1.125 ( -5.788 -0.000 8.191) 10.030 1.219 ( -3.893 0.000 2.807) 4.800 1.303 ( -0.779 0.000 4.254) 4.325 1.307 ( -0.428 -0.000 4.840) 4.858 1.488 ( 2.388 0.000 1.800) 2.991 1.538 ( -3.255 0.000 0.630) 3.316 1.592 ( -0.818 0.000 1.092) 1.364 1.697 ( -5.027 0.000 2.707) 5.710 1.713 ( 0.362 -0.000 -1.126) 1.183 1.840 ( -3.182 -0.000 -0.878) 3.300 1.931 ( -2.607 -0.000 0.568) 2.668 1.939 ( -9.007 0.000 3.530) 9.674 2.078 ( -1.452 0.000 4.794) 5.009 2.098 ( -1.691 -0.000 -0.972) 1.950 2.217 ( -4.182 -0.000 1.539) 4.456 2.228 ( -4.104 0.000 1.792) 4.478 2.340 ( -4.660 -0.000 -0.609) 4.699 2.390 ( -2.174 0.000 -1.182) 2.475 2.466 ( 3.977 0.000 -1.717) 4.332 2.572 ( 1.520 0.000 -1.746) 2.315 2.725 ( -0.767 0.000 1.103) 1.344 2.755 ( 3.538 -0.000 -2.704) 4.453 2.911 ( 3.380 -0.000 -0.606) 3.434 2.969 ( 0.775 0.000 0.297) 0.830 3.065 ( -2.284 -0.000 -0.917) 2.461 3.111 ( 2.367 0.000 1.578) 2.845 3.153 ( -3.043 -0.000 0.677) 3.118 3.164 ( -1.265 0.000 -2.238) 2.571 3.294 ( 1.915 0.000 -3.631) 4.105 3.373 ( 1.889 0.000 0.156) 1.895 3.454 ( 1.109 -0.000 -0.504) 1.218 3.499 ( 0.777 0.000 -0.592) 0.977 3.600 ( 3.920 -0.000 -0.903) 4.023 3.637 ( 4.442 0.000 -1.744) 4.772 3.847 ( -1.326 -0.000 0.998) 1.660 3.849 ( -2.306 0.000 1.066) 2.541 4.054 ( -1.304 -0.000 -2.193) 2.551 4.119 ( -0.092 0.000 0.017) 0.093 4.279 ( -1.523 0.000 2.452) 2.886 4.355 ( 1.513 0.000 -2.742) 3.132 5.453 ( -0.871 0.000 2.524) 2.670 5.470 ( 0.876 -0.000 -2.656) 2.796 6.176 ( -1.132 0.000 1.367) 1.774 6.224 ( 0.605 -0.000 -0.884) 1.071 6.538 ( -1.040 -0.000 0.923) 1.391 6.578 ( 0.279 -0.000 -0.324) 0.428 6.632 ( 0.392 0.000 0.286) 0.485 6.632 ( 0.794 -0.000 -0.770) 1.106 6.876 ( -2.462 0.000 2.568) 3.557 7.007 ( 1.678 0.000 -1.381) 2.173 7.146 ( -0.612 0.000 0.660) 0.901 7.155 ( -0.469 0.000 0.331) 0.574 ======================= Grid point 191 (107/126) ======================= q-point: (-0.20 -0.50 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -2.947 -0.000 10.318) 10.730 1.039 ( -1.844 0.000 9.585) 9.761 1.154 ( -6.414 -0.000 10.930) 12.673 1.184 ( -7.464 0.000 6.035) 9.599 1.323 ( -4.221 0.000 4.316) 6.037 1.352 ( 1.218 -0.000 0.687) 1.398 1.463 ( -4.259 0.000 1.543) 4.530 1.513 ( 1.717 -0.000 0.330) 1.749 1.659 ( -2.750 0.000 8.936) 9.349 1.684 ( -3.879 0.000 2.643) 4.693 1.724 ( 1.409 -0.000 7.800) 7.927 1.830 ( -1.334 -0.000 4.340) 4.540 1.842 ( -9.583 0.000 4.855) 10.743 1.950 ( 2.310 -0.000 1.690) 2.862 2.056 ( -5.169 0.000 5.842) 7.801 2.062 ( 0.272 -0.000 -3.127) 3.139 2.191 ( -3.654 -0.000 2.450) 4.399 2.217 ( -3.586 0.000 0.074) 3.587 2.295 ( 0.356 -0.000 3.044) 3.065 2.363 ( -0.158 0.000 -0.535) 0.558 2.535 ( 7.243 0.000 -2.190) 7.567 2.569 ( 0.692 -0.000 -2.733) 2.819 2.733 ( 1.642 -0.000 -0.078) 1.644 2.764 ( 1.853 -0.000 -2.592) 3.186 2.905 ( -2.011 0.000 -1.072) 2.279 2.973 ( -0.668 0.000 -0.529) 0.852 3.032 ( 0.237 -0.000 -2.513) 2.524 3.081 ( -1.591 0.000 -1.866) 2.452 3.129 ( -0.224 0.000 -1.095) 1.117 3.187 ( -0.098 -0.000 3.348) 3.349 3.286 ( 2.140 0.000 -3.573) 4.165 3.390 ( 2.689 0.000 -2.898) 3.954 3.458 ( 0.162 -0.000 0.372) 0.406 3.508 ( 0.141 0.000 1.019) 1.028 3.629 ( 0.999 -0.000 -0.814) 1.289 3.673 ( 3.195 -0.000 -2.319) 3.948 3.829 ( -1.765 -0.000 1.644) 2.412 3.847 ( -1.088 0.000 1.717) 2.032 4.000 ( -1.036 -0.000 -3.712) 3.854 4.102 ( -0.495 0.000 -2.033) 2.092 4.279 ( -1.777 0.000 1.821) 2.544 4.350 ( 1.852 -0.000 -2.555) 3.156 5.457 ( 1.335 0.000 -2.220) 2.591 5.465 ( -1.298 0.000 2.198) 2.552 6.175 ( -1.134 0.000 1.346) 1.760 6.224 ( 0.662 -0.000 -0.805) 1.042 6.535 ( -0.836 -0.000 1.098) 1.380 6.580 ( 0.362 -0.000 -0.200) 0.414 6.635 ( 0.790 0.000 -0.865) 1.171 6.640 ( 0.154 -0.000 0.230) 0.277 6.872 ( -2.159 0.000 2.661) 3.427 7.013 ( 1.332 0.000 -1.577) 2.064 7.147 ( -0.450 0.000 0.825) 0.940 7.153 ( -0.464 0.000 0.569) 0.734 ======================= Grid point 193 (108/126) ======================= q-point: (-0.10 -0.50 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -7.526 -0.000 6.546) 9.974 1.069 ( -7.761 0.000 7.161) 10.560 1.163 ( -5.137 0.000 8.461) 9.898 1.194 ( -1.697 -0.000 8.086) 8.262 1.282 ( -4.555 0.000 1.912) 4.940 1.390 ( 3.753 -0.000 0.978) 3.879 1.525 ( 3.387 -0.000 5.293) 6.284 1.552 ( 2.921 0.000 -1.119) 3.128 1.700 ( -3.723 -0.000 3.679) 5.234 1.700 ( -1.350 0.000 8.655) 8.760 1.781 ( -6.582 -0.000 8.325) 10.613 1.841 ( 1.434 0.000 8.032) 8.159 1.865 ( -0.007 -0.000 2.057) 2.057 1.988 ( 1.099 -0.000 -1.351) 1.741 2.047 ( 2.426 0.000 -2.638) 3.583 2.108 ( -2.693 -0.000 3.415) 4.349 2.168 ( -1.805 0.000 8.665) 8.851 2.197 ( -0.869 -0.000 5.119) 5.192 2.360 ( 1.666 -0.000 3.765) 4.117 2.364 ( -0.340 0.000 1.789) 1.821 2.527 ( -0.663 0.000 -3.362) 3.427 2.620 ( 6.174 -0.000 -1.357) 6.322 2.751 ( 0.298 -0.000 -2.094) 2.115 2.761 ( 1.694 0.000 -1.087) 2.013 2.849 ( -3.705 0.000 -0.465) 3.734 2.941 ( -1.831 -0.000 -0.948) 2.062 3.001 ( 0.947 -0.000 -4.177) 4.283 3.033 ( 0.129 0.000 -5.172) 5.173 3.134 ( 0.450 -0.000 1.021) 1.115 3.207 ( -1.747 -0.000 3.210) 3.654 3.283 ( 2.496 0.000 -1.592) 2.961 3.392 ( 2.442 0.000 -4.027) 4.709 3.473 ( 1.845 -0.000 -0.747) 1.990 3.507 ( -1.700 0.000 0.162) 1.707 3.637 ( 1.650 0.000 0.485) 1.720 3.677 ( 0.844 -0.000 -2.196) 2.353 3.832 ( -1.387 -0.000 1.804) 2.275 3.840 ( -2.594 0.000 1.499) 2.996 3.944 ( -0.031 0.000 -3.805) 3.805 4.063 ( -0.279 0.000 -3.296) 3.308 4.269 ( -1.959 0.000 1.446) 2.435 4.350 ( 2.111 -0.000 -2.669) 3.403 5.458 ( 1.749 0.000 -1.605) 2.374 5.465 ( -1.560 -0.000 1.437) 2.121 6.174 ( -1.095 0.000 1.407) 1.783 6.225 ( 0.716 -0.000 -0.804) 1.077 6.539 ( -0.568 -0.000 1.268) 1.390 6.583 ( 0.387 -0.000 -0.190) 0.432 6.636 ( 0.710 -0.000 -0.816) 1.082 6.641 ( -0.170 0.000 0.049) 0.177 6.874 ( -1.944 0.000 2.924) 3.511 7.010 ( 0.969 -0.000 -1.906) 2.138 7.152 ( -0.249 0.000 0.895) 0.929 7.155 ( -0.356 -0.000 0.731) 0.813 ======================= Grid point 205 (109/126) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.322 0.000 -4.028) 4.040 1.031 ( 0.322 0.000 4.028) 4.040 1.225 ( -2.834 0.000 -2.718) 3.926 1.225 ( 2.834 0.000 2.718) 3.926 1.375 ( 2.760 0.000 -2.937) 4.030 1.375 ( -2.760 0.000 2.937) 4.030 1.507 ( -0.613 0.000 -3.305) 3.361 1.507 ( 0.613 0.000 3.305) 3.361 1.745 ( 1.939 0.000 -2.259) 2.977 1.745 ( -1.939 0.000 2.259) 2.977 1.913 ( 1.813 0.000 -2.223) 2.869 1.913 ( -1.813 0.000 2.223) 2.869 1.972 ( -3.741 0.000 0.012) 3.741 1.972 ( 3.741 0.000 -0.012) 3.741 2.148 ( -1.244 0.000 -3.395) 3.616 2.148 ( 1.244 0.000 3.395) 3.616 2.330 ( -1.803 0.000 -2.104) 2.771 2.330 ( 1.803 0.000 2.104) 2.771 2.514 ( 1.085 0.000 -3.601) 3.761 2.514 ( -1.085 0.000 3.601) 3.761 2.615 ( 3.181 0.000 -4.502) 5.512 2.615 ( -3.181 0.000 4.502) 5.512 2.690 ( 1.295 0.000 -0.592) 1.424 2.690 ( -1.295 0.000 0.592) 1.424 2.757 ( -0.599 0.000 -2.663) 2.729 2.757 ( 0.599 0.000 2.663) 2.729 3.009 ( -5.375 0.000 1.156) 5.498 3.009 ( 5.375 0.000 -1.156) 5.498 3.209 ( 0.382 0.000 -0.530) 0.653 3.209 ( -0.382 0.000 0.530) 0.653 3.357 ( 0.887 0.000 -1.350) 1.615 3.357 ( -0.887 0.000 1.350) 1.615 3.432 ( -1.337 0.000 0.211) 1.353 3.432 ( 1.337 0.000 -0.211) 1.353 3.642 ( 1.459 0.000 -2.190) 2.631 3.642 ( -1.459 0.000 2.190) 2.631 3.805 ( -1.231 0.000 -3.536) 3.744 3.805 ( 1.231 0.000 3.536) 3.744 3.947 ( -1.101 0.000 0.212) 1.121 3.947 ( 1.101 0.000 -0.212) 1.121 4.305 ( 1.852 0.000 -3.054) 3.572 4.305 ( -1.852 0.000 3.054) 3.572 5.462 ( -1.967 0.000 0.294) 1.989 5.462 ( 1.967 0.000 -0.294) 1.989 6.206 ( 1.034 0.000 -1.325) 1.681 6.206 ( -1.034 0.000 1.325) 1.681 6.557 ( -0.003 0.000 -0.771) 0.771 6.557 ( 0.003 0.000 0.771) 0.771 6.645 ( 0.212 0.000 -0.879) 0.904 6.645 ( -0.212 0.000 0.879) 0.904 6.950 ( 1.227 0.000 -3.249) 3.473 6.950 ( -1.227 0.000 3.249) 3.473 7.163 ( -0.056 0.000 -0.114) 0.127 7.163 ( 0.056 0.000 0.114) 0.127 ======================= Grid point 207 (110/126) ======================= q-point: ( 0.10 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.013 0.000 -8.331) 8.331 1.019 ( 2.812 0.000 -6.791) 7.350 1.221 ( 3.651 0.000 0.587) 3.698 1.298 ( 5.204 0.000 -2.788) 5.904 1.364 ( -2.702 0.000 1.264) 2.982 1.413 ( 5.641 0.000 -2.053) 6.003 1.516 ( 3.463 0.000 0.317) 3.478 1.584 ( 1.542 0.000 3.986) 4.274 1.758 ( -1.134 0.000 2.753) 2.977 1.772 ( 4.994 0.000 -2.769) 5.710 1.877 ( 0.230 0.000 -1.816) 1.831 1.884 ( 0.940 0.000 -5.365) 5.447 1.937 ( -1.072 0.000 -1.052) 1.502 2.009 ( 2.933 0.000 -4.488) 5.362 2.085 ( -1.136 0.000 -2.614) 2.850 2.191 ( -0.107 0.000 2.384) 2.386 2.272 ( -1.804 0.000 -2.149) 2.806 2.333 ( 3.600 0.000 -9.320) 9.991 2.475 ( 1.175 0.000 -4.084) 4.249 2.476 ( -2.957 0.000 -4.112) 5.065 2.593 ( -0.307 0.000 -3.919) 3.931 2.618 ( -0.794 0.000 1.556) 1.747 2.670 ( -3.134 0.000 0.700) 3.211 2.679 ( -1.743 0.000 1.000) 2.010 2.768 ( 2.944 0.000 1.275) 3.208 2.818 ( -0.426 0.000 6.998) 7.011 2.949 ( -6.994 0.000 5.239) 8.739 3.070 ( 2.521 0.000 0.933) 2.688 3.205 ( 0.732 0.000 -2.187) 2.306 3.209 ( -0.333 0.000 -0.122) 0.355 3.329 ( -0.773 0.000 -2.216) 2.347 3.353 ( 0.161 0.000 -0.014) 0.162 3.445 ( 1.932 0.000 0.854) 2.112 3.447 ( 0.417 0.000 -0.188) 0.457 3.659 ( 0.684 0.000 1.015) 1.224 3.670 ( -1.009 0.000 3.365) 3.513 3.756 ( 0.605 0.000 -1.798) 1.897 3.843 ( 0.443 0.000 -0.055) 0.446 3.952 ( -0.802 0.000 3.875) 3.957 3.963 ( 0.270 0.000 1.056) 1.089 4.298 ( 1.853 0.000 -2.900) 3.442 4.313 ( -1.798 0.000 3.068) 3.556 5.438 ( -1.742 0.000 0.515) 1.817 5.488 ( 1.917 0.000 -0.553) 1.995 6.206 ( -1.036 0.000 1.296) 1.659 6.206 ( 1.048 0.000 -1.382) 1.734 6.547 ( -0.124 0.000 -0.684) 0.695 6.564 ( -0.317 0.000 0.716) 0.783 6.637 ( 0.144 0.000 -0.895) 0.906 6.651 ( -0.282 0.000 0.758) 0.809 6.931 ( 1.315 0.000 -3.107) 3.373 6.968 ( -1.422 0.000 3.116) 3.425 7.160 ( 0.016 0.000 -0.290) 0.290 7.164 ( 0.040 0.000 -0.095) 0.103 ======================= Grid point 208 (111/126) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 5.547 0.000 -8.054) 9.779 1.022 ( 10.955 0.000 -10.318) 15.049 1.284 ( -1.445 0.000 2.321) 2.734 1.313 ( 2.800 0.000 -4.665) 5.441 1.366 ( 5.189 0.000 0.366) 5.202 1.474 ( 5.592 0.000 -2.972) 6.333 1.570 ( 3.237 0.000 -1.356) 3.509 1.573 ( -3.136 0.000 -2.409) 3.954 1.763 ( -1.879 0.000 0.449) 1.932 1.784 ( 3.325 0.000 -9.678) 10.233 1.828 ( -0.778 0.000 -2.336) 2.462 1.883 ( 1.136 0.000 -3.934) 4.095 1.952 ( 4.075 0.000 2.298) 4.678 1.958 ( 1.350 0.000 -6.855) 6.987 2.074 ( 2.179 0.000 -1.366) 2.572 2.190 ( -0.665 0.000 -6.246) 6.281 2.216 ( -2.942 0.000 3.414) 4.507 2.259 ( 8.894 0.000 -17.558) 19.683 2.414 ( 1.428 0.000 -1.119) 1.814 2.442 ( -0.893 0.000 -2.802) 2.941 2.519 ( -4.684 0.000 1.104) 4.812 2.624 ( -0.562 0.000 1.227) 1.349 2.658 ( -2.156 0.000 0.514) 2.217 2.660 ( -1.082 0.000 1.321) 1.708 2.819 ( 0.068 0.000 2.188) 2.189 2.884 ( -0.054 0.000 3.619) 3.620 2.943 ( -2.772 0.000 7.585) 8.076 3.111 ( 0.624 0.000 1.881) 1.982 3.176 ( -0.489 0.000 -2.495) 2.543 3.195 ( -2.577 0.000 2.651) 3.697 3.308 ( 1.771 0.000 -2.720) 3.246 3.368 ( 1.470 0.000 -0.027) 1.470 3.449 ( 0.786 0.000 -0.533) 0.950 3.483 ( 1.696 0.000 -0.161) 1.704 3.643 ( -2.860 0.000 -1.029) 3.040 3.660 ( -3.020 0.000 1.803) 3.517 3.801 ( 2.422 0.000 2.408) 3.415 3.840 ( 0.827 0.000 -0.861) 1.194 3.985 ( 0.148 0.000 2.522) 2.527 4.001 ( -0.144 0.000 4.731) 4.733 4.293 ( 1.909 0.000 -2.690) 3.298 4.321 ( -1.860 0.000 2.863) 3.414 5.424 ( -1.350 0.000 1.084) 1.731 5.504 ( 1.572 0.000 -1.265) 2.018 6.206 ( 1.085 0.000 -1.413) 1.782 6.206 ( -1.032 0.000 1.325) 1.679 6.539 ( 0.014 0.000 -0.489) 0.489 6.564 ( -0.632 0.000 0.588) 0.863 6.629 ( 0.102 0.000 -0.799) 0.805 6.654 ( -0.416 0.000 0.536) 0.679 6.918 ( 1.661 0.000 -2.765) 3.226 6.978 ( -1.829 0.000 2.777) 3.325 7.158 ( 0.190 0.000 -0.337) 0.387 7.162 ( 0.036 0.000 -0.192) 0.195 ======================= Grid point 209 (112/126) ======================= q-point: ( 0.30 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 10.205 0.000 -4.244) 11.052 1.078 ( 10.512 0.000 -9.396) 14.100 1.255 ( -3.202 0.000 0.958) 3.342 1.285 ( 1.119 0.000 -4.299) 4.442 1.456 ( -2.176 0.000 -5.462) 5.880 1.483 ( 5.846 0.000 -0.079) 5.847 1.530 ( 4.019 0.000 -5.192) 6.566 1.561 ( 3.539 0.000 -9.487) 10.126 1.692 ( 1.836 0.000 -6.993) 7.230 1.701 ( -4.620 0.000 -0.258) 4.628 1.789 ( -1.303 0.000 -1.707) 2.147 1.824 ( -0.674 0.000 -7.597) 7.626 1.913 ( -1.587 0.000 -1.584) 2.242 1.982 ( -2.289 0.000 0.065) 2.290 2.101 ( 3.738 0.000 -1.881) 4.185 2.151 ( -0.332 0.000 3.217) 3.234 2.215 ( 12.446 0.000 -16.284) 20.496 2.257 ( 4.704 0.000 0.568) 4.738 2.396 ( -0.699 0.000 -1.483) 1.640 2.457 ( 3.162 0.000 -0.371) 3.184 2.496 ( -1.764 0.000 1.737) 2.476 2.610 ( -4.823 0.000 2.946) 5.652 2.637 ( -2.978 0.000 0.627) 3.043 2.654 ( 1.796 0.000 0.093) 1.798 2.857 ( 1.318 0.000 3.621) 3.854 2.890 ( -1.647 0.000 0.130) 1.652 3.025 ( 1.026 0.000 6.913) 6.989 3.125 ( -2.797 0.000 3.527) 4.502 3.141 ( -1.045 0.000 -1.246) 1.626 3.217 ( 1.676 0.000 1.398) 2.182 3.311 ( 2.155 0.000 -1.997) 2.938 3.380 ( 0.932 0.000 -1.549) 1.808 3.461 ( 0.703 0.000 0.413) 0.815 3.476 ( -1.638 0.000 -1.069) 1.956 3.583 ( -3.536 0.000 -0.439) 3.563 3.621 ( -4.300 0.000 1.789) 4.657 3.847 ( 1.412 0.000 0.307) 1.445 3.852 ( 1.207 0.000 -0.057) 1.208 4.031 ( 0.864 0.000 3.483) 3.588 4.049 ( 0.190 0.000 3.126) 3.131 4.293 ( 2.094 0.000 -2.376) 3.167 4.323 ( -2.200 0.000 2.596) 3.402 5.423 ( -0.919 0.000 1.809) 2.029 5.504 ( 1.068 0.000 -2.142) 2.394 6.206 ( 1.134 0.000 -1.394) 1.797 6.206 ( -1.016 0.000 1.394) 1.725 6.537 ( 0.282 0.000 -0.331) 0.435 6.559 ( -0.805 0.000 0.465) 0.929 6.623 ( 0.202 0.000 -0.571) 0.606 6.651 ( -0.618 0.000 0.268) 0.674 6.917 ( 2.160 0.000 -2.384) 3.217 6.977 ( -2.324 0.000 2.389) 3.333 7.158 ( 0.337 0.000 -0.286) 0.441 7.161 ( 0.059 0.000 -0.112) 0.127 ======================= Grid point 210 (113/126) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 8.771 0.000 -0.171) 8.772 1.113 ( 6.696 0.000 -6.044) 9.020 1.218 ( -2.243 0.000 -0.072) 2.244 1.272 ( 3.164 0.000 -2.017) 3.752 1.331 ( -3.450 0.000 -7.504) 8.259 1.464 ( -0.917 0.000 -5.320) 5.398 1.496 ( -0.868 0.000 -4.539) 4.621 1.499 ( -0.192 0.000 -4.312) 4.316 1.665 ( -0.086 0.000 -0.088) 0.123 1.696 ( 2.459 0.000 -3.223) 4.054 1.731 ( -0.816 0.000 -3.819) 3.905 1.746 ( 0.270 0.000 -4.232) 4.241 1.887 ( -0.942 0.000 2.213) 2.405 1.947 ( -4.969 0.000 3.571) 6.120 2.150 ( 3.470 0.000 0.028) 3.470 2.180 ( 0.109 0.000 1.346) 1.351 2.267 ( 14.356 0.000 -9.409) 17.165 2.342 ( 3.557 0.000 1.077) 3.717 2.393 ( 2.008 0.000 -0.797) 2.160 2.464 ( -1.908 0.000 -0.117) 1.912 2.479 ( -1.376 0.000 -0.328) 1.415 2.584 ( -0.898 0.000 0.359) 0.967 2.618 ( -0.395 0.000 0.628) 0.742 2.658 ( -3.063 0.000 -0.547) 3.111 2.876 ( -0.690 0.000 2.902) 2.983 2.925 ( 1.686 0.000 2.219) 2.786 3.093 ( -0.689 0.000 1.173) 1.361 3.119 ( -2.964 0.000 2.888) 4.139 3.147 ( 1.602 0.000 4.611) 4.881 3.251 ( 4.376 0.000 -3.540) 5.629 3.317 ( -0.265 0.000 -0.773) 0.817 3.356 ( -1.229 0.000 -2.019) 2.363 3.433 ( -1.908 0.000 0.353) 1.941 3.466 ( -1.332 0.000 0.583) 1.454 3.542 ( -0.946 0.000 0.085) 0.950 3.580 ( -3.209 0.000 1.037) 3.372 3.860 ( 0.813 0.000 -0.475) 0.942 3.867 ( 0.457 0.000 0.093) 0.466 4.079 ( 0.759 0.000 2.048) 2.184 4.081 ( 0.403 0.000 1.492) 1.545 4.300 ( 2.298 0.000 -2.288) 3.243 4.316 ( -2.535 0.000 2.518) 3.573 5.438 ( -0.584 0.000 2.473) 2.541 5.488 ( 0.640 0.000 -2.754) 2.827 6.207 ( 1.144 0.000 -1.368) 1.783 6.207 ( -1.029 0.000 1.423) 1.756 6.539 ( 0.520 0.000 -0.306) 0.603 6.552 ( -0.812 0.000 0.388) 0.900 6.623 ( 0.473 0.000 -0.262) 0.541 6.642 ( -0.771 0.000 0.066) 0.773 6.927 ( 2.631 0.000 -2.094) 3.363 6.965 ( -2.733 0.000 2.094) 3.443 7.160 ( 0.321 0.000 -0.222) 0.391 7.162 ( 0.008 0.000 0.049) 0.050 ======================= Grid point 211 (114/126) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.213 0.000 -0.875) 0.901 1.140 ( 0.213 0.000 0.875) 0.901 1.211 ( -2.527 0.000 -1.767) 3.084 1.211 ( 2.527 0.000 1.767) 3.084 1.360 ( -6.368 0.000 -2.554) 6.861 1.360 ( 6.368 0.000 2.554) 6.861 1.460 ( 0.400 0.000 -1.382) 1.439 1.460 ( -0.400 0.000 1.382) 1.439 1.669 ( -0.720 0.000 -0.629) 0.956 1.669 ( 0.720 0.000 0.629) 0.956 1.719 ( 0.316 0.000 -1.801) 1.829 1.719 ( -0.316 0.000 1.801) 1.829 1.914 ( 3.880 0.000 -2.329) 4.525 1.914 ( -3.880 0.000 2.329) 4.525 2.184 ( -0.949 0.000 0.155) 0.961 2.184 ( 0.949 0.000 -0.155) 0.961 2.364 ( 4.655 0.000 -2.878) 5.473 2.364 ( -4.655 0.000 2.878) 5.473 2.427 ( -2.492 0.000 0.627) 2.570 2.427 ( 2.492 0.000 -0.627) 2.570 2.511 ( -6.530 0.000 -1.768) 6.765 2.511 ( 6.530 0.000 1.768) 6.765 2.620 ( 0.627 0.000 -0.887) 1.086 2.620 ( -0.627 0.000 0.887) 1.086 2.927 ( -1.446 0.000 -2.077) 2.531 2.927 ( 1.446 0.000 2.077) 2.531 3.100 ( -1.809 0.000 0.469) 1.868 3.100 ( 1.809 0.000 -0.469) 1.868 3.238 ( -0.686 0.000 -5.649) 5.691 3.238 ( 0.686 0.000 5.649) 5.691 3.309 ( -2.246 0.000 -0.256) 2.261 3.309 ( 2.246 0.000 0.256) 2.261 3.442 ( -1.160 0.000 -0.769) 1.391 3.442 ( 1.160 0.000 0.769) 1.391 3.550 ( -1.708 0.000 0.379) 1.750 3.550 ( 1.708 0.000 -0.379) 1.750 3.867 ( -0.522 0.000 0.171) 0.550 3.867 ( 0.522 0.000 -0.171) 0.550 4.096 ( -0.138 0.000 -0.058) 0.150 4.096 ( 0.138 0.000 0.058) 0.150 4.308 ( 2.470 0.000 -2.514) 3.524 4.308 ( -2.470 0.000 2.514) 3.524 5.462 ( 0.467 0.000 -2.851) 2.889 5.462 ( -0.467 0.000 2.851) 2.889 6.208 ( 1.092 0.000 -1.390) 1.767 6.208 ( -1.092 0.000 1.390) 1.767 6.545 ( 0.695 0.000 -0.345) 0.776 6.545 ( -0.695 0.000 0.345) 0.776 6.630 ( -0.729 0.000 0.049) 0.731 6.630 ( 0.729 0.000 -0.049) 0.731 6.946 ( 2.861 0.000 -1.985) 3.482 6.946 ( -2.861 0.000 1.985) 3.482 7.162 ( 0.158 0.000 -0.162) 0.227 7.162 ( -0.158 0.000 0.162) 0.227 ======================= Grid point 217 (115/126) ======================= q-point: ( 0.00 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -3.239 3.022 -3.175) 5.451 1.071 ( 3.239 3.022 3.175) 5.451 1.250 ( -1.348 1.802 -2.092) 3.072 1.250 ( 1.348 1.802 2.092) 3.072 1.381 ( 2.036 0.807 -5.392) 5.820 1.381 ( -2.036 0.807 5.392) 5.820 1.557 ( -4.812 4.026 -3.014) 6.961 1.557 ( 4.812 4.026 3.014) 6.961 1.738 ( -0.892 -0.180 -2.669) 2.820 1.738 ( 0.892 -0.180 2.669) 2.820 1.901 ( -1.193 -1.783 -2.556) 3.337 1.901 ( 1.193 -1.783 2.556) 3.337 1.977 ( -2.881 0.732 -0.077) 2.973 1.977 ( 2.881 0.732 0.077) 2.973 2.106 ( -1.177 -3.301 -1.928) 3.999 2.106 ( 1.177 -3.301 1.928) 3.999 2.326 ( 0.605 -0.453 -4.368) 4.433 2.326 ( -0.605 -0.453 4.368) 4.433 2.527 ( 0.154 1.080 -2.742) 2.951 2.527 ( -0.154 1.080 2.742) 2.951 2.621 ( 2.494 0.354 -6.836) 7.286 2.621 ( -2.494 0.354 6.836) 7.286 2.681 ( -2.595 -0.181 -0.994) 2.785 2.681 ( 2.595 -0.181 0.994) 2.785 2.783 ( 1.302 1.715 -2.689) 3.445 2.783 ( -1.302 1.715 2.689) 3.445 2.959 ( -1.864 -3.552 -0.429) 4.034 2.959 ( 1.864 -3.552 0.429) 4.034 3.228 ( 0.317 0.791 -2.673) 2.805 3.228 ( -0.317 0.791 2.673) 2.805 3.327 ( -0.051 -1.718 -1.540) 2.308 3.327 ( 0.051 -1.718 1.540) 2.308 3.447 ( -0.122 0.806 -0.946) 1.249 3.447 ( 0.122 0.806 0.946) 1.249 3.662 ( 0.438 1.589 -2.887) 3.324 3.662 ( -0.438 1.589 2.887) 3.324 3.800 ( -1.151 -0.465 -3.405) 3.624 3.800 ( 1.151 -0.465 3.405) 3.624 3.954 ( 0.033 0.569 -2.052) 2.129 3.954 ( -0.033 0.569 2.052) 2.129 4.300 ( 1.999 -0.354 -2.831) 3.483 4.300 ( -1.999 -0.354 2.831) 3.483 5.461 ( -1.919 -0.090 0.305) 1.945 5.461 ( 1.919 -0.090 -0.305) 1.945 6.205 ( 1.008 -0.114 -1.339) 1.680 6.205 ( -1.008 -0.114 1.339) 1.680 6.563 ( 0.177 0.506 -0.889) 1.038 6.563 ( -0.177 0.506 0.889) 1.038 6.640 ( 0.058 -0.449 -0.656) 0.797 6.640 ( -0.058 -0.449 0.656) 0.797 6.948 ( 1.290 -0.142 -3.160) 3.416 6.948 ( -1.290 -0.142 3.160) 3.416 7.165 ( -0.043 0.133 -0.086) 0.164 7.165 ( 0.043 0.133 0.086) 0.164 ======================= Grid point 219 (116/126) ======================= q-point: ( 0.10 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 4.351 6.516 -5.589) 9.625 1.105 ( 1.352 7.522 -6.548) 10.064 1.253 ( 4.457 1.548 1.083) 4.840 1.293 ( 3.125 -0.391 -0.849) 3.262 1.364 ( 1.341 -1.077 -1.782) 2.477 1.436 ( 1.793 1.617 1.140) 2.670 1.469 ( -0.152 0.025 -2.876) 2.880 1.657 ( 4.392 -0.279 -0.181) 4.405 1.700 ( -2.397 0.584 0.248) 2.479 1.791 ( 0.871 -0.656 1.437) 1.804 1.858 ( 3.095 0.571 -3.451) 4.670 1.907 ( -0.605 -1.153 -3.792) 4.009 1.934 ( 0.379 1.387 -1.229) 1.892 2.016 ( 2.819 -0.625 -2.142) 3.595 2.065 ( -0.653 -1.010 -2.232) 2.535 2.144 ( 2.105 -3.308 0.187) 3.925 2.281 ( -0.311 0.466 -3.106) 3.157 2.345 ( -0.613 0.325 -1.009) 1.225 2.438 ( -0.753 -0.637 -9.593) 9.643 2.491 ( 0.055 -0.365 -5.508) 5.520 2.573 ( 1.909 -1.462 -5.957) 6.424 2.626 ( -3.523 -0.166 -0.094) 3.528 2.664 ( -2.414 1.344 4.179) 5.009 2.710 ( -0.283 1.030 1.593) 1.918 2.801 ( 2.009 2.829 0.886) 3.581 2.842 ( 0.072 2.257 7.136) 7.484 2.919 ( -5.274 -1.962 4.537) 7.228 3.007 ( 2.089 -5.061 1.227) 5.611 3.189 ( -1.596 -0.533 -2.004) 2.616 3.250 ( 0.610 1.040 0.614) 1.353 3.285 ( -0.797 -2.306 -0.110) 2.443 3.346 ( 0.108 -0.249 -1.856) 1.876 3.452 ( 0.836 0.772 -0.020) 1.138 3.482 ( 2.605 1.644 0.931) 3.218 3.642 ( -0.674 -0.110 0.284) 0.740 3.681 ( -1.492 -0.381 0.580) 1.646 3.776 ( 1.496 2.010 0.522) 2.559 3.850 ( 0.737 0.263 1.272) 1.494 3.934 ( -0.542 -0.895 0.177) 1.061 3.981 ( -0.307 0.896 3.187) 3.325 4.292 ( -0.241 -0.255 -0.154) 0.383 4.312 ( 0.265 -0.288 0.661) 0.769 5.438 ( -1.689 -0.025 0.508) 1.764 5.486 ( 1.894 -0.148 -0.569) 1.983 6.204 ( 0.629 -0.138 -0.881) 1.091 6.205 ( -0.616 -0.092 0.790) 1.006 6.554 ( 0.064 0.618 -0.844) 1.048 6.569 ( -0.391 0.391 0.751) 0.933 6.632 ( -0.131 -0.449 -0.490) 0.677 6.647 ( -0.044 -0.405 0.470) 0.622 6.931 ( 1.412 0.054 -3.005) 3.321 6.965 ( -1.420 -0.258 3.042) 3.367 7.162 ( 0.000 0.153 -0.300) 0.336 7.165 ( 0.035 0.065 -0.156) 0.172 ======================= Grid point 220 (117/126) ======================= q-point: ( 0.20 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 2.350 10.472 -7.989) 13.379 1.099 ( 10.958 6.783 -7.479) 14.901 1.292 ( -1.276 0.621 -0.189) 1.432 1.335 ( 2.834 1.112 -2.784) 4.125 1.385 ( 3.777 0.617 0.605) 3.875 1.437 ( 2.364 -3.275 -1.812) 4.427 1.486 ( 4.761 -2.845 -5.639) 7.910 1.625 ( -1.346 -3.107 -3.803) 5.092 1.714 ( 0.322 2.195 -0.733) 2.336 1.795 ( 1.870 -1.183 -2.661) 3.461 1.825 ( 0.343 1.308 -7.285) 7.409 1.886 ( -0.155 -0.512 -1.921) 1.994 1.953 ( 5.016 0.971 -4.085) 6.541 2.003 ( -0.442 0.249 -0.077) 0.513 2.055 ( 2.289 -1.286 -1.854) 3.214 2.175 ( 4.134 -0.247 -3.128) 5.190 2.220 ( -0.997 1.248 -5.842) 6.056 2.297 ( 3.776 1.662 -9.042) 9.939 2.349 ( 1.161 -3.005 -2.063) 3.826 2.435 ( -1.572 -1.098 -2.526) 3.172 2.528 ( -3.847 -0.341 -1.085) 4.012 2.587 ( 1.481 -3.166 -1.100) 3.665 2.672 ( -2.333 2.263 2.886) 4.346 2.700 ( -1.804 2.248 0.284) 2.896 2.848 ( 0.772 1.860 2.066) 2.885 2.893 ( -3.472 0.827 6.494) 7.410 2.944 ( 0.272 0.784 5.487) 5.549 3.044 ( 0.107 -4.042 1.467) 4.301 3.159 ( -0.382 -1.133 0.756) 1.414 3.254 ( -1.085 1.742 -0.270) 2.070 3.287 ( 2.130 -1.365 -1.869) 3.145 3.328 ( 0.167 -1.758 0.106) 1.769 3.458 ( 0.611 0.776 -0.630) 1.172 3.514 ( 0.593 1.639 -0.578) 1.836 3.635 ( -1.135 -0.711 -0.072) 1.341 3.649 ( -3.001 -0.810 0.686) 3.183 3.816 ( 0.966 1.691 0.926) 2.157 3.865 ( 1.163 1.497 0.333) 1.924 3.947 ( -0.034 -2.338 2.809) 3.655 4.027 ( 0.318 1.168 4.142) 4.315 4.289 ( -0.168 -0.061 0.227) 0.289 4.323 ( 0.184 -0.097 0.452) 0.497 5.424 ( -1.304 0.019 1.058) 1.679 5.502 ( 1.582 -0.164 -1.266) 2.033 6.203 ( 0.480 -0.133 -0.634) 0.807 6.205 ( -0.429 -0.105 0.534) 0.693 6.547 ( 0.211 0.691 -0.695) 1.003 6.569 ( -0.598 0.338 0.601) 0.913 6.625 ( -0.116 -0.319 -0.372) 0.504 6.649 ( -0.280 -0.423 0.309) 0.594 6.921 ( 1.729 0.252 -2.695) 3.212 6.975 ( -1.790 -0.297 2.727) 3.275 7.159 ( 0.150 0.095 -0.381) 0.420 7.163 ( 0.049 0.005 -0.258) 0.263 ======================= Grid point 221 (118/126) ======================= q-point: ( 0.30 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 6.169 5.473 -7.052) 10.850 1.163 ( 5.976 4.988 -5.333) 9.436 1.250 ( -0.587 1.147 -3.850) 4.060 1.318 ( 0.366 -1.551 -3.783) 4.105 1.388 ( 0.519 -1.361 -3.761) 4.033 1.470 ( 2.328 -3.241 -5.628) 6.899 1.513 ( 3.945 0.128 0.212) 3.953 1.554 ( 2.025 -2.026 -6.600) 7.195 1.689 ( 0.460 1.875 -3.807) 4.269 1.724 ( -1.395 1.395 -8.315) 8.546 1.778 ( 0.022 0.166 -4.988) 4.991 1.823 ( -1.308 -0.683 -0.110) 1.480 1.944 ( 1.127 2.364 -4.055) 4.827 2.032 ( 0.001 1.568 0.785) 1.753 2.073 ( 1.843 -1.747 0.494) 2.587 2.166 ( 4.181 1.020 -4.877) 6.504 2.229 ( 6.940 2.173 -4.888) 8.762 2.276 ( 5.390 0.819 -5.031) 7.418 2.366 ( -1.015 -1.503 0.331) 1.843 2.419 ( 4.036 -2.477 -0.879) 4.817 2.469 ( -2.223 -2.249 0.365) 3.183 2.594 ( 0.285 -3.624 -0.473) 3.666 2.652 ( -3.940 3.065 2.716) 5.683 2.708 ( 0.928 2.929 1.282) 3.329 2.847 ( -1.962 1.858 0.604) 2.769 2.936 ( -1.639 1.709 5.621) 6.099 3.003 ( 0.019 -2.430 3.083) 3.926 3.058 ( -0.343 -1.371 3.451) 3.729 3.177 ( -0.689 -0.694 1.062) 1.444 3.232 ( 1.304 1.158 -1.430) 2.255 3.294 ( 1.733 -1.523 -2.273) 3.238 3.353 ( 1.301 -1.320 1.048) 2.129 3.458 ( 0.086 0.153 -0.329) 0.373 3.489 ( -2.402 0.271 -0.778) 2.539 3.595 ( -2.979 0.944 -1.074) 3.304 3.608 ( -4.060 -0.857 1.858) 4.547 3.836 ( 0.978 0.414 0.331) 1.112 3.881 ( 1.020 0.605 -0.542) 1.304 4.001 ( 1.333 -1.217 3.830) 4.234 4.077 ( 0.385 1.300 2.992) 3.285 4.292 ( -0.251 0.020 0.760) 0.801 4.327 ( 0.156 0.230 -0.118) 0.301 5.424 ( -0.891 0.034 1.775) 1.986 5.503 ( 1.098 -0.128 -2.120) 2.391 6.204 ( 0.076 -0.128 -0.037) 0.153 6.205 ( 0.035 -0.130 0.018) 0.136 6.545 ( 0.463 0.742 -0.521) 1.018 6.566 ( -0.691 0.431 0.520) 0.967 6.620 ( 0.001 -0.180 -0.255) 0.312 6.645 ( -0.526 -0.482 0.118) 0.723 6.921 ( 2.138 0.328 -2.367) 3.206 6.974 ( -2.247 -0.271 2.364) 3.273 7.158 ( 0.295 -0.006 -0.339) 0.450 7.161 ( 0.074 -0.030 -0.169) 0.187 ======================= Grid point 222 (119/126) ======================= q-point: ( 0.40 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 7.035 -0.517 -3.548) 7.896 1.164 ( 0.123 0.744 -1.821) 1.971 1.198 ( 1.344 0.037 -5.288) 5.456 1.249 ( -1.240 -5.075 -5.716) 7.744 1.344 ( 0.812 3.081 -4.045) 5.149 1.432 ( 0.195 -3.061 -4.110) 5.129 1.481 ( -2.341 0.353 -2.576) 3.499 1.535 ( -1.810 0.860 -2.243) 3.007 1.609 ( 1.430 -1.535 -3.408) 4.002 1.679 ( -0.575 1.402 -2.471) 2.899 1.748 ( 4.214 2.251 -3.514) 5.930 1.853 ( 0.026 0.695 1.613) 1.757 1.902 ( 0.097 4.983 -1.614) 5.239 2.014 ( -3.481 3.499 1.030) 5.043 2.111 ( 1.246 -2.565 1.457) 3.202 2.169 ( 1.633 -1.845 -3.300) 4.119 2.285 ( 9.118 1.636 -5.508) 10.778 2.334 ( 4.107 -0.599 0.113) 4.152 2.380 ( 2.807 -0.181 0.907) 2.955 2.438 ( 1.585 -0.714 -0.630) 1.849 2.503 ( 3.359 0.481 -0.669) 3.459 2.588 ( -1.661 -1.185 -0.328) 2.067 2.626 ( -2.260 2.077 2.090) 3.714 2.698 ( -4.186 2.672 -0.344) 4.978 2.849 ( 1.910 -0.975 1.265) 2.490 2.952 ( -3.465 1.036 2.935) 4.657 3.026 ( 0.679 -2.781 2.234) 3.631 3.126 ( -0.189 -2.161 4.965) 5.418 3.160 ( -0.536 1.163 0.537) 1.389 3.256 ( 3.894 0.342 -2.848) 4.836 3.290 ( 1.192 -1.755 -1.703) 2.720 3.358 ( -1.645 -0.343 -1.024) 1.968 3.430 ( -1.635 -0.066 -0.692) 1.777 3.465 ( -2.167 -0.114 1.689) 2.750 3.542 ( -1.523 0.197 -0.489) 1.612 3.575 ( -2.758 -0.326 1.245) 3.044 3.853 ( 0.774 0.105 0.366) 0.863 3.885 ( 0.373 0.440 -0.819) 1.002 4.061 ( 1.480 -0.396 2.405) 2.852 4.104 ( -0.095 0.959 1.154) 1.504 4.300 ( -0.292 0.118 1.329) 1.366 4.324 ( 0.166 0.518 -0.853) 1.012 5.438 ( -0.577 0.023 2.440) 2.507 5.487 ( 0.668 -0.065 -2.721) 2.803 6.205 ( -0.164 -0.147 0.334) 0.400 6.206 ( 0.271 -0.138 -0.295) 0.424 6.548 ( 0.651 0.788 -0.411) 1.102 6.561 ( -0.740 0.645 0.452) 1.080 6.620 ( 0.288 -0.210 -0.108) 0.372 6.636 ( -0.657 -0.477 -0.016) 0.812 6.930 ( 2.528 0.238 -2.118) 3.306 6.963 ( -2.611 -0.155 2.104) 3.357 7.159 ( 0.301 -0.086 -0.247) 0.399 7.161 ( 0.005 -0.070 0.000) 0.070 ======================= Grid point 223 (120/126) ======================= q-point: (-0.50 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -3.815 -3.669 -2.826) 6.000 1.098 ( 3.815 -3.669 2.826) 6.000 1.190 ( 0.722 -0.253 -1.440) 1.631 1.190 ( -0.722 -0.253 1.440) 1.631 1.358 ( -3.719 -0.957 0.175) 3.844 1.358 ( 3.719 -0.957 -0.175) 3.844 1.477 ( 0.404 0.748 -2.405) 2.551 1.477 ( -0.404 0.748 2.405) 2.551 1.635 ( -1.296 0.187 -1.267) 1.822 1.635 ( 1.296 0.187 1.267) 1.822 1.798 ( -1.417 4.119 -1.530) 4.617 1.798 ( 1.418 4.119 1.530) 4.617 1.956 ( -3.690 2.837 -1.032) 4.768 1.956 ( 3.690 2.837 1.032) 4.768 2.143 ( -0.084 -3.301 -2.211) 3.974 2.143 ( 0.084 -3.301 2.211) 3.974 2.348 ( 1.468 -1.358 -1.367) 2.422 2.348 ( -1.468 -1.358 1.367) 2.422 2.459 ( -3.185 2.913 -0.495) 4.345 2.459 ( 3.185 2.913 0.495) 4.345 2.526 ( -3.493 1.391 -1.326) 3.987 2.526 ( 3.493 1.391 1.326) 3.987 2.634 ( -0.197 0.961 -0.957) 1.371 2.634 ( 0.197 0.961 0.957) 1.371 2.910 ( -1.189 -1.642 -2.034) 2.872 2.910 ( 1.189 -1.642 2.034) 2.872 3.085 ( -4.006 -1.181 -0.674) 4.231 3.085 ( 4.006 -1.181 0.674) 4.231 3.236 ( -0.817 -0.043 -5.530) 5.591 3.236 ( 0.817 -0.043 5.530) 5.591 3.306 ( -1.779 -0.459 -0.312) 1.863 3.306 ( 1.779 -0.459 0.312) 1.863 3.433 ( -1.619 -0.515 -0.016) 1.699 3.433 ( 1.619 -0.515 0.016) 1.700 3.549 ( -1.631 -0.024 0.030) 1.632 3.549 ( 1.631 -0.024 -0.030) 1.632 3.872 ( -0.671 0.300 -0.820) 1.102 3.872 ( 0.671 0.300 0.820) 1.102 4.099 ( -0.889 0.268 -0.749) 1.194 4.099 ( 0.889 0.268 0.749) 1.194 4.313 ( 1.924 0.429 -3.087) 3.663 4.313 ( -1.924 0.429 3.087) 3.663 5.462 ( 0.480 -0.010 -2.819) 2.859 5.462 ( -0.480 -0.010 2.819) 2.859 6.206 ( 1.039 -0.150 -1.357) 1.715 6.206 ( -1.039 -0.150 1.357) 1.715 6.554 ( 0.597 0.785 -0.518) 1.114 6.554 ( -0.597 0.785 0.518) 1.114 6.626 ( -0.280 -0.361 -0.199) 0.498 6.626 ( 0.280 -0.361 0.199) 0.498 6.946 ( 2.710 0.043 -2.054) 3.401 6.946 ( -2.710 0.043 2.054) 3.401 7.161 ( 0.194 -0.104 -0.207) 0.302 7.161 ( -0.194 -0.104 0.207) 0.302 ======================= Grid point 229 (121/126) ======================= q-point: ( 0.00 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -1.383 0.000 0.026) 1.384 1.110 ( 1.383 0.000 -0.026) 1.384 1.266 ( 0.982 0.000 -1.325) 1.649 1.266 ( -0.982 0.000 1.325) 1.649 1.401 ( 4.245 -0.000 -7.829) 8.906 1.401 ( -4.245 -0.000 7.829) 8.906 1.605 ( -0.101 0.000 -1.758) 1.761 1.605 ( 0.101 0.000 1.758) 1.761 1.754 ( 1.172 0.000 -6.634) 6.737 1.754 ( -1.172 -0.000 6.634) 6.737 1.857 ( -1.723 0.000 0.528) 1.802 1.857 ( 1.723 0.000 -0.528) 1.802 1.994 ( -0.975 -0.000 -0.806) 1.265 1.994 ( 0.975 -0.000 0.806) 1.265 2.060 ( -2.291 0.000 0.488) 2.343 2.060 ( 2.291 0.000 -0.488) 2.343 2.319 ( 1.535 0.000 -4.840) 5.078 2.319 ( -1.535 0.000 4.840) 5.078 2.542 ( -0.128 -0.000 -0.197) 0.235 2.542 ( 0.128 0.000 0.197) 0.235 2.625 ( 2.743 0.000 -9.776) 10.154 2.625 ( -2.743 0.000 9.776) 10.154 2.683 ( -0.393 0.000 -1.801) 1.843 2.683 ( 0.393 0.000 1.801) 1.843 2.801 ( 3.371 0.000 -3.640) 4.962 2.801 ( -3.371 0.000 3.641) 4.962 2.918 ( 0.741 0.000 -0.935) 1.193 2.918 ( -0.741 0.000 0.935) 1.193 3.229 ( 0.728 0.000 -3.495) 3.570 3.229 ( -0.728 -0.000 3.495) 3.570 3.313 ( -6.356 0.000 2.077) 6.687 3.313 ( 6.356 0.000 -2.077) 6.687 3.455 ( -0.094 0.000 -0.205) 0.225 3.455 ( 0.094 0.000 0.205) 0.225 3.683 ( 1.721 0.000 -3.082) 3.530 3.683 ( -1.721 0.000 3.082) 3.530 3.793 ( -1.196 0.000 -1.642) 2.032 3.793 ( 1.196 0.000 1.642) 2.032 3.962 ( -0.022 0.000 -2.524) 2.525 3.962 ( 0.022 0.000 2.524) 2.525 4.296 ( 2.488 0.000 -2.602) 3.600 4.296 ( -2.488 0.000 2.602) 3.600 5.460 ( -1.871 0.000 0.316) 1.897 5.460 ( 1.871 0.000 -0.316) 1.897 6.203 ( 0.980 0.000 -1.353) 1.670 6.203 ( -0.980 0.000 1.353) 1.670 6.571 ( 0.463 0.000 -1.070) 1.166 6.571 ( -0.463 0.000 1.070) 1.166 6.633 ( -0.512 0.000 -0.048) 0.515 6.633 ( 0.512 0.000 0.048) 0.515 6.946 ( 1.354 0.000 -3.063) 3.349 6.946 ( -1.354 0.000 3.063) 3.349 7.166 ( -0.038 0.000 0.009) 0.039 7.166 ( 0.038 0.000 -0.009) 0.039 ======================= Grid point 233 (122/126) ======================= q-point: ( 0.10 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 5.961 -0.000 -1.989) 6.284 1.177 ( 8.938 0.000 -3.150) 9.477 1.270 ( 1.900 0.000 -2.002) 2.761 1.273 ( 0.884 -0.000 -0.028) 0.885 1.381 ( 5.541 -0.000 -7.627) 9.428 1.400 ( -5.547 0.000 2.292) 6.002 1.551 ( -0.957 0.000 -2.613) 2.783 1.577 ( -2.923 -0.000 -1.023) 3.097 1.728 ( 3.034 -0.000 -2.371) 3.850 1.793 ( -0.171 0.000 1.832) 1.840 1.875 ( -0.389 0.000 1.404) 1.457 1.890 ( 3.178 -0.000 -2.335) 3.943 1.962 ( 1.131 0.000 -2.153) 2.432 1.979 ( 0.838 -0.000 -4.340) 4.420 2.044 ( -0.047 0.000 -1.050) 1.051 2.119 ( 5.517 -0.000 -0.320) 5.526 2.284 ( 0.526 0.000 -3.492) 3.532 2.338 ( -3.614 -0.000 2.929) 4.652 2.459 ( 1.058 0.000 -11.499) 11.547 2.470 ( -0.898 -0.000 -7.544) 7.598 2.556 ( 3.375 0.000 -7.653) 8.364 2.618 ( -4.997 0.000 -1.217) 5.143 2.681 ( -2.180 0.000 5.617) 6.025 2.724 ( -0.259 0.000 3.536) 3.545 2.843 ( 2.120 0.000 0.114) 2.123 2.877 ( 0.677 0.000 8.001) 8.030 2.914 ( -1.637 -0.000 2.830) 3.270 2.918 ( -0.287 0.000 2.405) 2.422 3.173 ( -2.861 0.000 -2.313) 3.679 3.251 ( 0.832 -0.000 0.495) 0.968 3.269 ( -0.794 -0.000 0.246) 0.831 3.348 ( 0.134 0.000 -1.262) 1.269 3.462 ( 0.470 0.000 0.173) 0.501 3.496 ( 3.916 -0.000 0.934) 4.026 3.657 ( -3.038 -0.000 -0.305) 3.053 3.662 ( -0.470 0.000 -1.411) 1.488 3.809 ( 1.573 0.000 2.992) 3.380 3.845 ( 1.721 0.000 1.586) 2.340 3.925 ( -1.249 -0.000 -1.683) 2.096 3.991 ( -0.362 0.000 3.438) 3.457 4.292 ( -2.448 0.000 3.045) 3.907 4.305 ( 2.472 0.000 -2.163) 3.285 5.437 ( -1.633 -0.000 0.499) 1.708 5.484 ( 1.869 0.000 -0.582) 1.958 6.202 ( 1.009 -0.000 -1.378) 1.708 6.204 ( -0.996 0.000 1.281) 1.623 6.564 ( 0.441 0.000 -1.178) 1.258 6.574 ( -0.611 0.000 0.834) 1.034 6.626 ( -0.552 -0.000 0.159) 0.574 6.641 ( 0.295 -0.000 0.062) 0.301 6.932 ( 1.530 0.000 -2.912) 3.289 6.961 ( -1.440 0.000 2.980) 3.310 7.164 ( -0.012 -0.000 -0.286) 0.286 7.165 ( 0.026 0.000 -0.243) 0.244 ======================= Grid point 235 (123/126) ======================= q-point: ( 0.20 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 3.464 0.000 -4.430) 5.624 1.203 ( 0.745 -0.000 -6.455) 6.498 1.278 ( 0.545 -0.000 -4.542) 4.574 1.312 ( 6.961 -0.000 -4.597) 8.342 1.349 ( 1.800 0.000 1.326) 2.236 1.406 ( 8.131 0.000 -4.394) 9.243 1.520 ( -0.957 0.000 -1.596) 1.861 1.528 ( 0.632 -0.000 -4.222) 4.269 1.758 ( 1.902 0.000 -1.013) 2.155 1.784 ( 0.032 -0.000 -3.592) 3.592 1.864 ( -0.325 -0.000 -0.622) 0.702 1.869 ( -0.048 0.000 -6.106) 6.106 1.964 ( 6.109 0.000 -5.947) 8.526 1.977 ( 2.344 0.000 -0.935) 2.524 2.027 ( -0.446 0.000 -1.018) 1.111 2.200 ( 5.570 -0.000 -1.610) 5.799 2.244 ( -1.801 0.000 -5.685) 5.964 2.263 ( 2.369 -0.000 -3.368) 4.118 2.386 ( -0.204 -0.000 -3.902) 3.907 2.389 ( 2.504 0.000 -7.318) 7.735 2.519 ( -5.853 0.000 -0.766) 5.902 2.547 ( 2.424 -0.000 -2.853) 3.743 2.700 ( -2.729 0.000 3.939) 4.792 2.731 ( -1.179 0.000 0.428) 1.254 2.867 ( -0.484 0.000 3.850) 3.880 2.907 ( -3.117 -0.000 5.264) 6.118 2.946 ( -0.496 0.000 3.282) 3.320 3.021 ( 3.749 -0.000 4.143) 5.588 3.123 ( -1.475 0.000 0.336) 1.513 3.261 ( 1.727 0.000 -2.776) 3.269 3.271 ( 1.522 -0.000 -1.525) 2.155 3.323 ( -2.452 -0.000 2.233) 3.316 3.468 ( 0.506 -0.000 -0.542) 0.741 3.531 ( -0.486 -0.000 -1.148) 1.246 3.630 ( 0.339 -0.000 -0.332) 0.475 3.635 ( -2.822 0.000 0.890) 2.959 3.856 ( 0.655 0.000 -0.215) 0.689 3.865 ( -0.247 -0.000 0.200) 0.318 3.919 ( 0.767 -0.000 3.581) 3.662 4.039 ( 0.624 -0.000 4.002) 4.050 4.292 ( -2.475 -0.000 3.261) 4.094 4.318 ( 2.454 0.000 -2.085) 3.220 5.424 ( -1.257 -0.000 1.029) 1.624 5.500 ( 1.589 0.000 -1.262) 2.029 6.202 ( 1.064 -0.000 -1.343) 1.713 6.203 ( -1.013 0.000 1.230) 1.594 6.558 ( 0.620 0.000 -1.115) 1.276 6.572 ( -0.701 -0.000 0.636) 0.946 6.621 ( -0.514 -0.000 0.404) 0.654 6.643 ( -0.037 -0.000 -0.079) 0.087 6.925 ( 1.828 0.000 -2.644) 3.214 6.971 ( -1.785 0.000 2.698) 3.235 7.160 ( 0.128 -0.000 -0.465) 0.483 7.162 ( 0.046 0.000 -0.286) 0.290 ======================= Grid point 237 (124/126) ======================= q-point: ( 0.30 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -0.266 0.000 -6.806) 6.811 1.150 ( 2.451 -0.000 -7.492) 7.883 1.229 ( -2.136 0.000 -0.795) 2.279 1.293 ( 2.333 0.000 -8.509) 8.823 1.412 ( 4.217 -0.000 -3.896) 5.741 1.450 ( 3.018 -0.000 -8.320) 8.850 1.496 ( 0.043 0.000 0.693) 0.694 1.532 ( 4.868 -0.000 -0.732) 4.922 1.723 ( -2.476 -0.000 -10.477) 10.765 1.736 ( 0.205 0.000 -3.366) 3.373 1.768 ( 1.748 0.000 -3.325) 3.757 1.841 ( -2.063 0.000 -0.711) 2.182 1.970 ( 1.738 -0.000 -2.960) 3.433 2.007 ( 5.575 0.000 -3.271) 6.464 2.060 ( 1.998 0.000 2.357) 3.090 2.201 ( 2.313 0.000 -4.104) 4.711 2.261 ( 5.100 -0.000 -3.239) 6.042 2.273 ( 3.404 0.000 -2.320) 4.119 2.358 ( 4.798 0.000 -4.814) 6.796 2.383 ( 1.838 -0.000 -0.526) 1.912 2.446 ( -0.982 0.000 -0.126) 0.990 2.539 ( -0.627 0.000 0.264) 0.680 2.692 ( -4.001 0.000 3.421) 5.264 2.739 ( 1.252 -0.000 0.217) 1.271 2.894 ( -2.822 0.000 1.717) 3.303 2.929 ( -2.140 -0.000 4.956) 5.398 2.977 ( 0.111 0.000 5.527) 5.528 3.069 ( -1.826 -0.000 0.788) 1.989 3.139 ( 1.667 -0.000 1.248) 2.082 3.248 ( 3.087 0.000 -4.140) 5.164 3.271 ( 0.907 -0.000 -1.599) 1.838 3.346 ( 0.084 -0.000 3.171) 3.172 3.461 ( -0.570 0.000 -0.870) 1.041 3.489 ( -2.664 0.000 -0.335) 2.685 3.598 ( -3.809 0.000 1.833) 4.227 3.608 ( -2.441 -0.000 -1.409) 2.819 3.857 ( -0.589 0.000 0.088) 0.596 3.867 ( 1.897 -0.000 -0.537) 1.972 3.993 ( 1.887 0.000 3.975) 4.400 4.091 ( 0.517 -0.000 2.767) 2.814 4.294 ( -2.425 -0.000 3.469) 4.233 4.329 ( 2.324 0.000 -2.413) 3.350 5.424 ( -0.861 0.000 1.738) 1.939 5.501 ( 1.125 -0.000 -2.094) 2.377 6.203 ( 1.089 -0.003 -1.290) 1.689 6.203 ( -0.985 0.003 1.252) 1.593 6.557 ( 0.869 0.000 -0.946) 1.285 6.569 ( -0.667 -0.000 0.630) 0.917 6.619 ( -0.462 -0.000 0.478) 0.665 6.638 ( -0.304 0.000 -0.269) 0.406 6.925 ( 2.151 0.000 -2.391) 3.216 6.970 ( -2.210 0.000 2.382) 3.249 7.158 ( 0.299 -0.000 -0.468) 0.556 7.160 ( 0.043 0.000 -0.152) 0.158 ======================= Grid point 239 (125/126) ======================= q-point: ( 0.40 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 1.705 0.000 -5.667) 5.918 1.104 ( 1.909 -0.000 -6.384) 6.663 1.191 ( -2.363 0.000 0.859) 2.514 1.228 ( 0.612 0.000 -5.090) 5.127 1.375 ( 1.677 -0.000 -8.474) 8.638 1.395 ( 0.325 0.000 -3.814) 3.827 1.471 ( -0.995 0.000 -4.092) 4.211 1.542 ( -3.136 -0.000 0.329) 3.153 1.621 ( 1.615 0.000 -2.102) 2.650 1.702 ( -1.268 0.000 -2.665) 2.951 1.796 ( 5.006 -0.000 -1.790) 5.317 1.829 ( 0.294 0.000 2.600) 2.617 1.973 ( 0.555 0.000 -1.000) 1.144 2.032 ( 1.622 0.000 -2.985) 3.397 2.096 ( -0.946 0.000 2.521) 2.693 2.129 ( -0.304 -0.000 -6.221) 6.229 2.303 ( 2.302 0.000 -0.882) 2.465 2.331 ( 2.988 -0.000 -0.034) 2.988 2.411 ( 4.597 0.000 0.522) 4.627 2.415 ( 8.231 -0.000 -2.263) 8.537 2.511 ( 6.718 -0.000 -0.991) 6.790 2.551 ( 0.304 0.000 1.395) 1.428 2.660 ( -5.153 -0.000 3.140) 6.034 2.727 ( -3.851 -0.000 -0.886) 3.952 2.855 ( -0.715 0.000 -0.043) 0.716 2.937 ( -3.245 -0.000 1.680) 3.654 3.035 ( -2.295 0.000 2.367) 3.298 3.069 ( 1.391 -0.000 4.956) 5.147 3.173 ( 0.583 0.000 1.431) 1.545 3.256 ( 4.328 0.000 -4.632) 6.339 3.274 ( 1.512 0.000 -0.317) 1.545 3.350 ( -1.978 -0.000 -1.312) 2.374 3.431 ( -1.551 0.000 -0.575) 1.654 3.462 ( -2.718 -0.000 2.127) 3.452 3.549 ( -2.066 0.000 -0.712) 2.186 3.570 ( -2.293 -0.000 1.221) 2.598 3.858 ( 0.162 0.000 0.672) 0.691 3.884 ( 1.072 -0.000 -1.011) 1.473 4.060 ( 1.678 0.000 2.552) 3.055 4.115 ( -0.280 0.000 0.837) 0.883 4.302 ( -2.003 -0.000 3.745) 4.247 4.330 ( 1.989 0.000 -3.006) 3.604 5.438 ( -0.567 0.000 2.403) 2.469 5.486 ( 0.693 -0.000 -2.685) 2.773 6.203 ( -0.956 0.000 1.311) 1.623 6.204 ( 1.055 0.000 -1.289) 1.666 6.561 ( 0.955 0.000 -0.824) 1.261 6.567 ( -0.660 0.000 0.729) 0.983 6.618 ( -0.297 -0.000 0.431) 0.523 6.629 ( -0.317 0.000 -0.386) 0.499 6.933 ( 2.451 0.000 -2.210) 3.300 6.961 ( -2.521 -0.000 2.183) 3.334 7.158 ( 0.349 -0.000 -0.370) 0.508 7.160 ( -0.065 0.000 0.049) 0.081 ======================= Grid point 241 (126/126) ======================= q-point: (-0.50 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -1.956 0.000 -0.928) 2.165 1.053 ( 1.956 0.000 0.928) 2.165 1.192 ( -0.070 0.000 -1.911) 1.912 1.192 ( 0.070 0.000 1.911) 1.912 1.341 ( 3.624 -0.000 -2.892) 4.636 1.341 ( -3.624 0.000 2.892) 4.636 1.482 ( 5.696 -0.000 -2.340) 6.158 1.482 ( -5.696 0.000 2.340) 6.158 1.650 ( -2.134 0.000 -0.961) 2.341 1.650 ( 2.134 0.000 0.961) 2.341 1.850 ( 2.712 -0.000 -1.107) 2.929 1.850 ( -2.712 -0.000 1.107) 2.929 1.982 ( -0.258 0.000 -3.772) 3.781 1.982 ( 0.258 0.000 3.772) 3.781 2.100 ( 1.990 -0.000 -2.549) 3.234 2.100 ( -1.990 -0.000 2.549) 3.234 2.330 ( -1.645 0.000 -0.133) 1.650 2.330 ( 1.645 0.000 0.133) 1.650 2.500 ( -0.914 0.000 -0.342) 0.975 2.500 ( 0.913 0.000 0.342) 0.975 2.547 ( 0.192 0.000 -0.065) 0.203 2.547 ( -0.192 0.000 0.065) 0.203 2.646 ( -2.362 0.000 -0.629) 2.444 2.646 ( 2.362 -0.000 0.629) 2.444 2.883 ( 5.286 0.000 -2.181) 5.718 2.883 ( -5.286 0.000 2.181) 5.718 3.070 ( -3.686 0.000 0.344) 3.702 3.070 ( 3.686 0.000 -0.344) 3.702 3.237 ( -0.421 -0.000 -5.728) 5.743 3.237 ( 0.421 -0.000 5.728) 5.743 3.297 ( -2.086 0.000 0.438) 2.131 3.297 ( 2.086 0.000 -0.438) 2.131 3.429 ( -2.185 -0.000 0.157) 2.190 3.429 ( 2.185 0.000 -0.157) 2.190 3.549 ( -1.267 0.000 -0.187) 1.281 3.549 ( 1.267 0.000 0.187) 1.281 3.875 ( -0.259 0.000 -1.240) 1.266 3.875 ( 0.259 0.000 1.240) 1.266 4.103 ( -1.103 0.000 -0.981) 1.476 4.103 ( 1.103 0.000 0.981) 1.476 4.319 ( 1.745 0.000 -3.595) 3.996 4.319 ( -1.745 -0.000 3.595) 3.996 5.462 ( 0.489 0.000 -2.783) 2.825 5.462 ( -0.489 0.000 2.783) 2.825 6.204 ( 0.987 0.000 -1.321) 1.649 6.204 ( -0.987 0.000 1.321) 1.649 6.565 ( 0.810 -0.000 -0.791) 1.132 6.565 ( -0.810 0.000 0.791) 1.132 6.621 ( -0.036 0.000 -0.402) 0.403 6.621 ( 0.036 0.000 0.402) 0.403 6.947 ( 2.608 0.000 -2.131) 3.368 6.947 ( -2.608 0.000 2.131) 3.368 7.159 ( 0.240 0.000 -0.229) 0.332 7.159 ( -0.240 0.000 0.229) 0.332 =================== 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 3/17280 10.0 62.746 29.796 55.697 0.000 1.829 0.000 3/17280 20.0 10.573 4.716 10.497 0.000 0.230 0.000 3/17280 30.0 4.909 2.099 5.046 0.000 0.149 0.000 3/17280 40.0 3.151 1.313 3.284 0.000 0.103 0.000 3/17280 50.0 2.333 0.956 2.448 0.000 0.076 0.000 3/17280 60.0 1.862 0.754 1.963 0.000 0.059 0.000 3/17280 70.0 1.554 0.625 1.644 0.000 0.047 0.000 3/17280 80.0 1.337 0.534 1.417 0.000 0.039 0.000 3/17280 90.0 1.175 0.468 1.248 0.000 0.032 0.000 3/17280 100.0 1.049 0.416 1.115 0.000 0.027 0.000 3/17280 110.0 0.948 0.375 1.009 0.000 0.024 0.000 3/17280 120.0 0.865 0.341 0.922 0.000 0.021 0.000 3/17280 130.0 0.796 0.314 0.849 0.000 0.018 0.000 3/17280 140.0 0.737 0.290 0.787 0.000 0.016 0.000 3/17280 150.0 0.686 0.270 0.733 0.000 0.015 0.000 3/17280 160.0 0.642 0.252 0.686 0.000 0.014 0.000 3/17280 170.0 0.603 0.237 0.645 0.000 0.012 0.000 3/17280 180.0 0.569 0.223 0.609 0.000 0.011 0.000 3/17280 190.0 0.539 0.211 0.576 0.000 0.011 0.000 3/17280 200.0 0.511 0.200 0.547 0.000 0.010 0.000 3/17280 210.0 0.487 0.191 0.521 0.000 0.009 0.000 3/17280 220.0 0.464 0.182 0.497 0.000 0.009 0.000 3/17280 230.0 0.444 0.174 0.475 0.000 0.008 0.000 3/17280 240.0 0.425 0.166 0.455 0.000 0.008 0.000 3/17280 250.0 0.408 0.160 0.437 0.000 0.007 0.000 3/17280 260.0 0.392 0.153 0.420 0.000 0.007 0.000 3/17280 270.0 0.377 0.148 0.405 0.000 0.007 0.000 3/17280 280.0 0.364 0.142 0.390 0.000 0.006 0.000 3/17280 290.0 0.351 0.137 0.377 0.000 0.006 0.000 3/17280 300.0 0.339 0.133 0.364 0.000 0.006 0.000 3/17280 310.0 0.328 0.128 0.352 0.000 0.006 0.000 3/17280 320.0 0.318 0.124 0.341 0.000 0.005 0.000 3/17280 330.0 0.308 0.120 0.331 0.000 0.005 0.000 3/17280 340.0 0.299 0.117 0.321 0.000 0.005 0.000 3/17280 350.0 0.291 0.114 0.312 0.000 0.005 0.000 3/17280 360.0 0.283 0.110 0.303 0.000 0.005 0.000 3/17280 370.0 0.275 0.107 0.295 0.000 0.005 0.000 3/17280 380.0 0.268 0.104 0.287 0.000 0.004 0.000 3/17280 390.0 0.261 0.102 0.280 0.000 0.004 0.000 3/17280 400.0 0.254 0.099 0.273 0.000 0.004 0.000 3/17280 410.0 0.248 0.097 0.266 0.000 0.004 0.000 3/17280 420.0 0.242 0.094 0.260 0.000 0.004 0.000 3/17280 430.0 0.236 0.092 0.254 0.000 0.004 0.000 3/17280 440.0 0.231 0.090 0.248 0.000 0.004 0.000 3/17280 450.0 0.226 0.088 0.242 0.000 0.004 0.000 3/17280 460.0 0.221 0.086 0.237 0.000 0.004 0.000 3/17280 470.0 0.216 0.084 0.232 0.000 0.004 0.000 3/17280 480.0 0.212 0.083 0.227 0.000 0.003 0.000 3/17280 490.0 0.207 0.081 0.223 0.000 0.003 0.000 3/17280 500.0 0.203 0.079 0.218 0.000 0.003 0.000 3/17280 510.0 0.199 0.078 0.214 0.000 0.003 0.000 3/17280 520.0 0.195 0.076 0.210 0.000 0.003 0.000 3/17280 530.0 0.192 0.075 0.206 0.000 0.003 0.000 3/17280 540.0 0.188 0.073 0.202 0.000 0.003 0.000 3/17280 550.0 0.185 0.072 0.198 0.000 0.003 0.000 3/17280 560.0 0.181 0.071 0.195 0.000 0.003 0.000 3/17280 570.0 0.178 0.070 0.191 0.000 0.003 0.000 3/17280 580.0 0.175 0.068 0.188 0.000 0.003 0.000 3/17280 590.0 0.172 0.067 0.185 0.000 0.003 0.000 3/17280 600.0 0.169 0.066 0.182 0.000 0.003 0.000 3/17280 610.0 0.167 0.065 0.179 0.000 0.003 0.000 3/17280 620.0 0.164 0.064 0.176 0.000 0.003 0.000 3/17280 630.0 0.161 0.063 0.173 0.000 0.003 0.000 3/17280 640.0 0.159 0.062 0.170 0.000 0.003 0.000 3/17280 650.0 0.156 0.061 0.168 0.000 0.002 0.000 3/17280 660.0 0.154 0.060 0.165 0.000 0.002 0.000 3/17280 670.0 0.152 0.059 0.163 0.000 0.002 0.000 3/17280 680.0 0.149 0.058 0.160 0.000 0.002 0.000 3/17280 690.0 0.147 0.057 0.158 0.000 0.002 0.000 3/17280 700.0 0.145 0.057 0.156 0.000 0.002 0.000 3/17280 710.0 0.143 0.056 0.154 0.000 0.002 0.000 3/17280 720.0 0.141 0.055 0.151 0.000 0.002 0.000 3/17280 730.0 0.139 0.054 0.149 0.000 0.002 0.000 3/17280 740.0 0.137 0.054 0.147 0.000 0.002 0.000 3/17280 750.0 0.135 0.053 0.145 0.000 0.002 0.000 3/17280 760.0 0.134 0.052 0.143 0.000 0.002 0.000 3/17280 770.0 0.132 0.051 0.142 0.000 0.002 0.000 3/17280 780.0 0.130 0.051 0.140 0.000 0.002 0.000 3/17280 790.0 0.129 0.050 0.138 0.000 0.002 0.000 3/17280 800.0 0.127 0.049 0.136 0.000 0.002 0.000 3/17280 810.0 0.125 0.049 0.135 0.000 0.002 0.000 3/17280 820.0 0.124 0.048 0.133 0.000 0.002 0.000 3/17280 830.0 0.122 0.048 0.131 0.000 0.002 0.000 3/17280 840.0 0.121 0.047 0.130 0.000 0.002 0.000 3/17280 850.0 0.119 0.047 0.128 0.000 0.002 0.000 3/17280 860.0 0.118 0.046 0.127 0.000 0.002 0.000 3/17280 870.0 0.117 0.046 0.125 0.000 0.002 0.000 3/17280 880.0 0.115 0.045 0.124 0.000 0.002 0.000 3/17280 890.0 0.114 0.044 0.122 0.000 0.002 0.000 3/17280 900.0 0.113 0.044 0.121 0.000 0.002 0.000 3/17280 910.0 0.112 0.044 0.120 0.000 0.002 0.000 3/17280 920.0 0.110 0.043 0.119 0.000 0.002 0.000 3/17280 930.0 0.109 0.043 0.117 0.000 0.002 0.000 3/17280 940.0 0.108 0.042 0.116 0.000 0.002 0.000 3/17280 950.0 0.107 0.042 0.115 0.000 0.002 0.000 3/17280 960.0 0.106 0.041 0.114 0.000 0.002 0.000 3/17280 970.0 0.105 0.041 0.112 0.000 0.002 0.000 3/17280 980.0 0.104 0.040 0.111 0.000 0.002 0.000 3/17280 990.0 0.103 0.040 0.110 0.000 0.002 0.000 3/17280 1000.0 0.102 0.040 0.109 0.000 0.002 0.000 3/17280 Thermal conductivity related properties were written into "kappa-m1048.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:09:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|