----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:23:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.336893040038794 0.000000000000000 0.000000000000000 b 0.000000000000000 9.032931269999999 0.000000000000000 c -0.567031319317076 0.000000000000000 8.862529813529742 Atomic positions (fractional): *1 Tl 0.44380399514109 0.30986064464606 0.92980657378789 204.383 2 Tl 0.44380399514109 0.19013935535394 0.42980657378789 204.383 3 Tl 0.55619600485891 0.69013935535394 0.07019342621211 204.383 *4 Tl 0.72820684472051 0.39083627037369 0.40932525661144 204.383 5 Tl 0.27179315527949 0.89083627037369 0.09067474338856 204.383 6 Tl 0.27179315527949 0.60916372962631 0.59067474338856 204.383 7 Tl 0.55619600485891 0.80986064464606 0.57019342621211 204.383 8 Tl 0.72820684472051 0.10916372962631 0.90932525661144 204.383 *9 Ge 0.75949908073629 0.52793489585260 0.79430615737286 72.640 10 Ge 0.75949908073629 0.97206510414740 0.29430615737286 72.640 11 Ge 0.24050091926371 0.47206510414740 0.20569384262714 72.640 12 Ge 0.24050091926371 0.02793489585260 0.70569384262714 72.640 *13 Pb 0.94890594886850 0.69532456333850 0.10027962042724 207.200 14 Pb 0.05109405113150 0.19532456333850 0.39972037957276 207.200 15 Pb 0.94890594886850 0.80467543666150 0.60027962042724 207.200 16 Pb 0.05109405113150 0.30467543666150 0.89972037957276 207.200 *17 S 0.20728574250252 0.93838618118030 0.47368029551939 32.065 *18 S 0.57565117538065 0.03136685505760 0.17320086304315 32.065 19 S 0.20728574250252 0.56161381881970 0.97368029551938 32.065 *20 S 0.76674177822899 0.77577895755288 0.82156749628023 32.065 *21 S 0.92609392077618 0.46972608835669 0.65912380467534 32.065 22 S 0.42434882461935 0.96863314494240 0.82679913695685 32.065 23 S 0.07390607922382 0.53027391164331 0.34087619532466 32.065 24 S 0.42434882461935 0.53136685505760 0.32679913695685 32.065 25 S 0.79271425749748 0.06161381881970 0.52631970448062 32.065 26 S 0.23325822177101 0.27577895755289 0.67843250371977 32.065 27 S 0.76674177822899 0.72422104244712 0.32156749628023 32.065 28 S 0.23325822177101 0.22422104244711 0.17843250371977 32.065 29 S 0.07390607922382 0.96972608835669 0.84087619532466 32.065 30 S 0.57565117538065 0.46863314494240 0.67320086304315 32.065 31 S 0.79271425749748 0.43838618118030 0.02631970448061 32.065 32 S 0.92609392077618 0.03027391164331 0.15912380467534 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.336893040038794 0.000000000000000 0.000000000000000 b 0.000000000000000 9.032931269999999 0.000000000000000 c -0.567031319317076 0.000000000000000 8.862529813529742 Atomic positions (fractional): *1 Tl 0.44380399514109 0.30986064464606 0.92980657378789 204.383 > 1 2 Tl 0.44380399514109 0.19013935535394 0.42980657378789 204.383 > 2 3 Tl 0.55619600485891 0.69013935535394 0.07019342621211 204.383 > 3 *4 Tl 0.72820684472051 0.39083627037369 0.40932525661144 204.383 > 4 5 Tl 0.27179315527949 0.89083627037369 0.09067474338856 204.383 > 5 6 Tl 0.27179315527949 0.60916372962631 0.59067474338856 204.383 > 6 7 Tl 0.55619600485891 0.80986064464606 0.57019342621211 204.383 > 7 8 Tl 0.72820684472051 0.10916372962631 0.90932525661144 204.383 > 8 *9 Ge 0.75949908073629 0.52793489585260 0.79430615737286 72.640 > 9 10 Ge 0.75949908073629 0.97206510414740 0.29430615737286 72.640 > 10 11 Ge 0.24050091926371 0.47206510414740 0.20569384262714 72.640 > 11 12 Ge 0.24050091926371 0.02793489585260 0.70569384262714 72.640 > 12 *13 Pb 0.94890594886850 0.69532456333850 0.10027962042724 207.200 > 13 14 Pb 0.05109405113150 0.19532456333850 0.39972037957276 207.200 > 14 15 Pb 0.94890594886850 0.80467543666150 0.60027962042724 207.200 > 15 16 Pb 0.05109405113150 0.30467543666150 0.89972037957276 207.200 > 16 *17 S 0.20728574250252 0.93838618118030 0.47368029551939 32.065 > 17 *18 S 0.57565117538065 0.03136685505760 0.17320086304315 32.065 > 18 19 S 0.20728574250252 0.56161381881970 0.97368029551938 32.065 > 19 *20 S 0.76674177822899 0.77577895755288 0.82156749628023 32.065 > 20 *21 S 0.92609392077618 0.46972608835669 0.65912380467534 32.065 > 21 22 S 0.42434882461935 0.96863314494240 0.82679913695685 32.065 > 22 23 S 0.07390607922382 0.53027391164331 0.34087619532466 32.065 > 23 24 S 0.42434882461935 0.53136685505760 0.32679913695685 32.065 > 24 25 S 0.79271425749748 0.06161381881970 0.52631970448062 32.065 > 25 26 S 0.23325822177101 0.27577895755289 0.67843250371977 32.065 > 26 27 S 0.76674177822899 0.72422104244712 0.32156749628023 32.065 > 27 28 S 0.23325822177101 0.22422104244711 0.17843250371977 32.065 > 28 29 S 0.07390607922382 0.96972608835669 0.84087619532466 32.065 > 29 30 S 0.57565117538065 0.46863314494240 0.67320086304315 32.065 > 30 31 S 0.79271425749748 0.43838618118030 0.02631970448061 32.065 > 31 32 S 0.92609392077618 0.03027391164331 0.15912380467534 32.065 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.336893040038794 0.000000000000000 0.000000000000000 b 0.000000000000000 18.065862539999998 0.000000000000000 c -1.134062638634152 0.000000000000000 17.725059627059483 Atomic positions (fractional): *1 Tl 0.44380399514109 0.15493032232303 0.46490328689394 204.383 > 1 2 Tl 0.44380399514109 0.65493032232303 0.46490328689394 204.383 > 1 3 Tl 0.44380399514109 0.15493032232303 0.96490328689394 204.383 > 1 4 Tl 0.44380399514109 0.65493032232303 0.96490328689394 204.383 > 1 5 Tl 0.44380399514109 0.09506967767697 0.21490328689394 204.383 > 2 6 Tl 0.44380399514109 0.59506967767697 0.21490328689394 204.383 > 2 7 Tl 0.44380399514109 0.09506967767697 0.71490328689394 204.383 > 2 8 Tl 0.44380399514109 0.59506967767697 0.71490328689394 204.383 > 2 9 Tl 0.55619600485891 0.34506967767697 0.03509671310606 204.383 > 3 10 Tl 0.55619600485891 0.84506967767697 0.03509671310606 204.383 > 3 11 Tl 0.55619600485891 0.34506967767697 0.53509671310606 204.383 > 3 12 Tl 0.55619600485891 0.84506967767697 0.53509671310606 204.383 > 3 *13 Tl 0.72820684472051 0.19541813518684 0.20466262830572 204.383 > 4 14 Tl 0.72820684472051 0.69541813518684 0.20466262830572 204.383 > 4 15 Tl 0.72820684472051 0.19541813518684 0.70466262830572 204.383 > 4 16 Tl 0.72820684472051 0.69541813518684 0.70466262830572 204.383 > 4 17 Tl 0.27179315527949 0.44541813518684 0.04533737169428 204.383 > 5 18 Tl 0.27179315527949 0.94541813518684 0.04533737169428 204.383 > 5 19 Tl 0.27179315527949 0.44541813518684 0.54533737169428 204.383 > 5 20 Tl 0.27179315527949 0.94541813518684 0.54533737169428 204.383 > 5 21 Tl 0.27179315527949 0.30458186481316 0.29533737169428 204.383 > 6 22 Tl 0.27179315527949 0.80458186481316 0.29533737169428 204.383 > 6 23 Tl 0.27179315527949 0.30458186481316 0.79533737169428 204.383 > 6 24 Tl 0.27179315527949 0.80458186481316 0.79533737169428 204.383 > 6 25 Tl 0.55619600485891 0.40493032232303 0.28509671310606 204.383 > 7 26 Tl 0.55619600485891 0.90493032232303 0.28509671310606 204.383 > 7 27 Tl 0.55619600485891 0.40493032232303 0.78509671310606 204.383 > 7 28 Tl 0.55619600485891 0.90493032232303 0.78509671310606 204.383 > 7 29 Tl 0.72820684472051 0.05458186481316 0.45466262830572 204.383 > 8 30 Tl 0.72820684472051 0.55458186481316 0.45466262830572 204.383 > 8 31 Tl 0.72820684472051 0.05458186481316 0.95466262830572 204.383 > 8 32 Tl 0.72820684472051 0.55458186481316 0.95466262830572 204.383 > 8 *33 Ge 0.75949908073629 0.26396744792630 0.39715307868643 72.640 > 9 34 Ge 0.75949908073629 0.76396744792630 0.39715307868643 72.640 > 9 35 Ge 0.75949908073629 0.26396744792630 0.89715307868643 72.640 > 9 36 Ge 0.75949908073629 0.76396744792630 0.89715307868643 72.640 > 9 37 Ge 0.75949908073629 0.48603255207370 0.14715307868643 72.640 > 10 38 Ge 0.75949908073629 0.98603255207370 0.14715307868643 72.640 > 10 39 Ge 0.75949908073629 0.48603255207370 0.64715307868643 72.640 > 10 40 Ge 0.75949908073629 0.98603255207370 0.64715307868643 72.640 > 10 41 Ge 0.24050091926371 0.23603255207370 0.10284692131357 72.640 > 11 42 Ge 0.24050091926371 0.73603255207370 0.10284692131357 72.640 > 11 43 Ge 0.24050091926371 0.23603255207370 0.60284692131357 72.640 > 11 44 Ge 0.24050091926371 0.73603255207370 0.60284692131357 72.640 > 11 45 Ge 0.24050091926371 0.01396744792630 0.35284692131357 72.640 > 12 46 Ge 0.24050091926371 0.51396744792630 0.35284692131357 72.640 > 12 47 Ge 0.24050091926371 0.01396744792630 0.85284692131357 72.640 > 12 48 Ge 0.24050091926371 0.51396744792630 0.85284692131357 72.640 > 12 *49 Pb 0.94890594886850 0.34766228166925 0.05013981021362 207.200 > 13 50 Pb 0.94890594886850 0.84766228166925 0.05013981021362 207.200 > 13 51 Pb 0.94890594886850 0.34766228166925 0.55013981021362 207.200 > 13 52 Pb 0.94890594886850 0.84766228166925 0.55013981021362 207.200 > 13 53 Pb 0.05109405113150 0.09766228166925 0.19986018978638 207.200 > 14 54 Pb 0.05109405113150 0.59766228166925 0.19986018978638 207.200 > 14 55 Pb 0.05109405113150 0.09766228166925 0.69986018978638 207.200 > 14 56 Pb 0.05109405113150 0.59766228166925 0.69986018978638 207.200 > 14 57 Pb 0.94890594886850 0.40233771833075 0.30013981021362 207.200 > 15 58 Pb 0.94890594886850 0.90233771833075 0.30013981021362 207.200 > 15 59 Pb 0.94890594886850 0.40233771833075 0.80013981021362 207.200 > 15 60 Pb 0.94890594886850 0.90233771833075 0.80013981021362 207.200 > 15 61 Pb 0.05109405113150 0.15233771833075 0.44986018978638 207.200 > 16 62 Pb 0.05109405113150 0.65233771833075 0.44986018978638 207.200 > 16 63 Pb 0.05109405113150 0.15233771833075 0.94986018978638 207.200 > 16 64 Pb 0.05109405113150 0.65233771833075 0.94986018978638 207.200 > 16 *65 S 0.20728574250252 0.46919309059015 0.23684014775969 32.065 > 17 66 S 0.20728574250252 0.96919309059015 0.23684014775969 32.065 > 17 67 S 0.20728574250252 0.46919309059015 0.73684014775969 32.065 > 17 68 S 0.20728574250252 0.96919309059015 0.73684014775969 32.065 > 17 *69 S 0.57565117538065 0.01568342752880 0.08660043152158 32.065 > 18 70 S 0.57565117538065 0.51568342752880 0.08660043152158 32.065 > 18 71 S 0.57565117538065 0.01568342752880 0.58660043152158 32.065 > 18 72 S 0.57565117538065 0.51568342752880 0.58660043152158 32.065 > 18 73 S 0.20728574250252 0.28080690940985 0.48684014775969 32.065 > 19 74 S 0.20728574250252 0.78080690940985 0.48684014775969 32.065 > 19 75 S 0.20728574250252 0.28080690940985 0.98684014775969 32.065 > 19 76 S 0.20728574250252 0.78080690940985 0.98684014775969 32.065 > 19 *77 S 0.76674177822899 0.38788947877644 0.41078374814011 32.065 > 20 78 S 0.76674177822899 0.88788947877644 0.41078374814011 32.065 > 20 79 S 0.76674177822899 0.38788947877644 0.91078374814011 32.065 > 20 80 S 0.76674177822899 0.88788947877644 0.91078374814011 32.065 > 20 *81 S 0.92609392077618 0.23486304417834 0.32956190233767 32.065 > 21 82 S 0.92609392077618 0.73486304417835 0.32956190233767 32.065 > 21 83 S 0.92609392077618 0.23486304417834 0.82956190233767 32.065 > 21 84 S 0.92609392077618 0.73486304417835 0.82956190233767 32.065 > 21 85 S 0.42434882461935 0.48431657247120 0.41339956847842 32.065 > 22 86 S 0.42434882461935 0.98431657247120 0.41339956847842 32.065 > 22 87 S 0.42434882461935 0.48431657247120 0.91339956847842 32.065 > 22 88 S 0.42434882461935 0.98431657247120 0.91339956847842 32.065 > 22 89 S 0.07390607922382 0.26513695582165 0.17043809766233 32.065 > 23 90 S 0.07390607922382 0.76513695582165 0.17043809766233 32.065 > 23 91 S 0.07390607922382 0.26513695582165 0.67043809766233 32.065 > 23 92 S 0.07390607922382 0.76513695582165 0.67043809766233 32.065 > 23 93 S 0.42434882461935 0.26568342752880 0.16339956847842 32.065 > 24 94 S 0.42434882461935 0.76568342752880 0.16339956847842 32.065 > 24 95 S 0.42434882461935 0.26568342752880 0.66339956847842 32.065 > 24 96 S 0.42434882461935 0.76568342752880 0.66339956847842 32.065 > 24 97 S 0.79271425749748 0.03080690940985 0.26315985224031 32.065 > 25 98 S 0.79271425749748 0.53080690940985 0.26315985224031 32.065 > 25 99 S 0.79271425749748 0.03080690940985 0.76315985224031 32.065 > 25 100 S 0.79271425749748 0.53080690940985 0.76315985224031 32.065 > 25 101 S 0.23325822177101 0.13788947877644 0.33921625185989 32.065 > 26 102 S 0.23325822177101 0.63788947877644 0.33921625185989 32.065 > 26 103 S 0.23325822177101 0.13788947877644 0.83921625185989 32.065 > 26 104 S 0.23325822177101 0.63788947877644 0.83921625185989 32.065 > 26 105 S 0.76674177822899 0.36211052122356 0.16078374814011 32.065 > 27 106 S 0.76674177822899 0.86211052122356 0.16078374814011 32.065 > 27 107 S 0.76674177822899 0.36211052122356 0.66078374814011 32.065 > 27 108 S 0.76674177822899 0.86211052122356 0.66078374814011 32.065 > 27 109 S 0.23325822177101 0.11211052122356 0.08921625185989 32.065 > 28 110 S 0.23325822177101 0.61211052122356 0.08921625185989 32.065 > 28 111 S 0.23325822177101 0.11211052122356 0.58921625185989 32.065 > 28 112 S 0.23325822177101 0.61211052122356 0.58921625185989 32.065 > 28 113 S 0.07390607922382 0.48486304417835 0.42043809766233 32.065 > 29 114 S 0.07390607922382 0.98486304417835 0.42043809766233 32.065 > 29 115 S 0.07390607922382 0.48486304417835 0.92043809766233 32.065 > 29 116 S 0.07390607922382 0.98486304417835 0.92043809766233 32.065 > 29 117 S 0.57565117538065 0.23431657247120 0.33660043152158 32.065 > 30 118 S 0.57565117538065 0.73431657247120 0.33660043152158 32.065 > 30 119 S 0.57565117538065 0.23431657247120 0.83660043152158 32.065 > 30 120 S 0.57565117538065 0.73431657247120 0.83660043152158 32.065 > 30 121 S 0.79271425749748 0.21919309059015 0.01315985224031 32.065 > 31 122 S 0.79271425749748 0.71919309059015 0.01315985224031 32.065 > 31 123 S 0.79271425749748 0.21919309059015 0.51315985224031 32.065 > 31 124 S 0.79271425749748 0.71919309059015 0.51315985224031 32.065 > 31 125 S 0.92609392077618 0.01513695582165 0.07956190233767 32.065 > 32 126 S 0.92609392077618 0.51513695582165 0.07956190233767 32.065 > 32 127 S 0.92609392077618 0.01513695582165 0.57956190233767 32.065 > 32 128 S 0.92609392077618 0.51513695582165 0.57956190233767 32.065 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9219398 0.0000000 0.0158825 0.0000000 9.2307954 0.0000000 0.0158811 0.0000000 8.8731926 -------------------------- Born effective charges -------------------------- 1 Tl 2.2476941 0.2246710 -0.1405543 0.2724985 2.0375605 -0.2486461 -0.0403088 -0.1088562 2.1056336 2 Tl 2.2476941 -0.2246710 -0.1405543 -0.2724985 2.0375605 0.2486461 -0.0403088 0.1088562 2.1056336 3 Tl 2.2476941 0.2246710 -0.1405543 0.2724985 2.0375605 -0.2486461 -0.0403088 -0.1088562 2.1056336 4 Tl 1.9550766 -0.0689715 0.1117647 -0.1151931 2.1168373 0.0942228 0.1452824 0.0849538 2.1692267 5 Tl 1.9550766 0.0689715 0.1117647 0.1151931 2.1168373 -0.0942228 0.1452824 -0.0849538 2.1692267 6 Tl 1.9550766 -0.0689715 0.1117647 -0.1151931 2.1168373 0.0942228 0.1452824 0.0849538 2.1692267 7 Tl 2.2476941 -0.2246710 -0.1405543 -0.2724985 2.0375605 0.2486461 -0.0403088 0.1088562 2.1056336 8 Tl 1.9550766 0.0689715 0.1117647 0.1151931 2.1168373 -0.0942228 0.1452824 -0.0849538 2.1692267 9 Ge 2.8748921 0.2224598 0.4877532 0.1242750 2.5536408 0.2052097 0.4933127 0.1547585 2.7729534 10 Ge 2.8748921 -0.2224598 0.4877532 -0.1242750 2.5536408 -0.2052097 0.4933127 -0.1547585 2.7729534 11 Ge 2.8748921 0.2224598 0.4877532 0.1242750 2.5536408 0.2052097 0.4933127 0.1547585 2.7729534 12 Ge 2.8748921 -0.2224598 0.4877532 -0.1242750 2.5536408 -0.2052097 0.4933127 -0.1547585 2.7729534 13 Pb 3.2277317 -0.5777192 0.0818436 -0.9172405 3.7984262 -0.1559715 0.0493796 0.1356090 3.5600637 14 Pb 3.2277317 0.5777192 0.0818436 0.9172405 3.7984262 0.1559715 0.0493796 -0.1356090 3.5600637 15 Pb 3.2277317 0.5777192 0.0818436 0.9172405 3.7984262 0.1559715 0.0493796 -0.1356090 3.5600637 16 Pb 3.2277317 -0.5777192 0.0818436 -0.9172405 3.7984262 -0.1559715 0.0493796 0.1356090 3.5600637 17 S -2.3899510 -0.0315556 -0.1448899 0.1012383 -3.0857330 0.2323116 -0.1755712 0.3884837 -2.4078822 18 S -2.8840290 0.5139316 0.1912547 0.3651663 -1.9661828 0.0258577 -0.1992326 -0.0680211 -2.6300208 19 S -2.3899510 0.0315556 -0.1448899 -0.1012383 -3.0857330 -0.2323116 -0.1755712 -0.3884837 -2.4078822 20 S -2.5935317 -0.1069131 0.0332517 -0.2628692 -2.7746298 0.7198636 -0.0941062 0.0786630 -2.9876138 21 S -2.4378828 0.5627777 -0.6204236 0.3928104 -2.6799191 0.2274916 -0.1787559 0.5074919 -2.5823608 22 S -2.8840290 0.5139316 0.1912547 0.3651663 -1.9661828 0.0258577 -0.1992326 -0.0680211 -2.6300208 23 S -2.4378828 0.5627777 -0.6204236 0.3928104 -2.6799191 0.2274916 -0.1787559 0.5074919 -2.5823608 24 S -2.8840290 -0.5139316 0.1912547 -0.3651663 -1.9661828 -0.0258577 -0.1992326 0.0680211 -2.6300208 25 S -2.3899510 -0.0315556 -0.1448899 0.1012383 -3.0857330 0.2323116 -0.1755712 0.3884837 -2.4078822 26 S -2.5935317 0.1069131 0.0332517 0.2628692 -2.7746298 -0.7198636 -0.0941062 -0.0786630 -2.9876138 27 S -2.5935317 0.1069131 0.0332517 0.2628692 -2.7746298 -0.7198636 -0.0941062 -0.0786630 -2.9876138 28 S -2.5935317 -0.1069131 0.0332517 -0.2628692 -2.7746298 0.7198636 -0.0941062 0.0786630 -2.9876138 29 S -2.4378828 -0.5627777 -0.6204236 -0.3928104 -2.6799191 -0.2274916 -0.1787559 -0.5074919 -2.5823608 30 S -2.8840290 -0.5139316 0.1912547 -0.3651663 -1.9661828 -0.0258577 -0.1992326 0.0680211 -2.6300208 31 S -2.3899510 0.0315556 -0.1448899 -0.1012383 -3.0857330 -0.2323116 -0.1755712 -0.3884837 -2.4078822 32 S -2.4378828 -0.5627777 -0.6204236 -0.3928104 -2.6799191 -0.2274916 -0.1787559 -0.5074919 -2.5823608 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 10), data: (524, 24) @ (24, 10) |-- (274, 264), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 10), data: (524, 24) @ (24, 10) |-- (274, 264), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.434 Solver_block: 200 / 960 - Time: 1.261 Solver_block: 300 / 960 - Time: 1.269 Solver_block: 400 / 960 - Time: 1.261 Solver_block: 500 / 960 - Time: 1.270 Solver_block: 600 / 960 - Time: 1.273 Solver_block: 700 / 960 - Time: 1.274 Solver_block: 800 / 960 - Time: 1.267 Solver_block: 900 / 960 - Time: 1.272 Solver_block: 960 / 960 - Time: 0.864 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.785 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 10), data: (524, 24) @ (24, 10) |-- (274, 264), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 10), data: (524, 24) @ (24, 10) |-- (274, 264), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), 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 21:24:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:24:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.336893040038794 0.000000000000000 0.000000000000000 b 0.000000000000000 9.032931269999999 0.000000000000000 c -0.567031319317076 0.000000000000000 8.862529813529742 Atomic positions (fractional): 1 Tl 0.44380399514109 0.30986064464606 0.92980657378789 204.383 2 Tl 0.44380399514109 0.19013935535394 0.42980657378789 204.383 3 Tl 0.55619600485891 0.69013935535394 0.07019342621211 204.383 4 Tl 0.72820684472051 0.39083627037369 0.40932525661144 204.383 5 Tl 0.27179315527949 0.89083627037369 0.09067474338856 204.383 6 Tl 0.27179315527949 0.60916372962631 0.59067474338856 204.383 7 Tl 0.55619600485891 0.80986064464606 0.57019342621211 204.383 8 Tl 0.72820684472051 0.10916372962631 0.90932525661144 204.383 9 Ge 0.75949908073629 0.52793489585260 0.79430615737286 72.640 10 Ge 0.75949908073629 0.97206510414740 0.29430615737286 72.640 11 Ge 0.24050091926371 0.47206510414740 0.20569384262714 72.640 12 Ge 0.24050091926371 0.02793489585260 0.70569384262714 72.640 13 Pb 0.94890594886850 0.69532456333850 0.10027962042724 207.200 14 Pb 0.05109405113150 0.19532456333850 0.39972037957276 207.200 15 Pb 0.94890594886850 0.80467543666150 0.60027962042724 207.200 16 Pb 0.05109405113150 0.30467543666150 0.89972037957276 207.200 17 S 0.20728574250252 0.93838618118030 0.47368029551939 32.065 18 S 0.57565117538065 0.03136685505760 0.17320086304315 32.065 19 S 0.20728574250252 0.56161381881970 0.97368029551938 32.065 20 S 0.76674177822899 0.77577895755288 0.82156749628023 32.065 21 S 0.92609392077618 0.46972608835669 0.65912380467534 32.065 22 S 0.42434882461935 0.96863314494240 0.82679913695685 32.065 23 S 0.07390607922382 0.53027391164331 0.34087619532466 32.065 24 S 0.42434882461935 0.53136685505760 0.32679913695685 32.065 25 S 0.79271425749748 0.06161381881970 0.52631970448062 32.065 26 S 0.23325822177101 0.27577895755289 0.67843250371977 32.065 27 S 0.76674177822899 0.72422104244712 0.32156749628023 32.065 28 S 0.23325822177101 0.22422104244711 0.17843250371977 32.065 29 S 0.07390607922382 0.96972608835669 0.84087619532466 32.065 30 S 0.57565117538065 0.46863314494240 0.67320086304315 32.065 31 S 0.79271425749748 0.43838618118030 0.02631970448061 32.065 32 S 0.92609392077618 0.03027391164331 0.15912380467534 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.336893040038794 0.000000000000000 0.000000000000000 b 0.000000000000000 18.065862539999998 0.000000000000000 c -1.134062638634152 0.000000000000000 17.725059627059483 Atomic positions (fractional): 1 Tl 0.44380399514109 0.15493032232303 0.46490328689394 204.383 > 1 2 Tl 0.44380399514109 0.65493032232303 0.46490328689394 204.383 > 1 3 Tl 0.44380399514109 0.15493032232303 0.96490328689394 204.383 > 1 4 Tl 0.44380399514109 0.65493032232303 0.96490328689394 204.383 > 1 5 Tl 0.44380399514109 0.09506967767697 0.21490328689394 204.383 > 5 6 Tl 0.44380399514109 0.59506967767697 0.21490328689394 204.383 > 5 7 Tl 0.44380399514109 0.09506967767697 0.71490328689394 204.383 > 5 8 Tl 0.44380399514109 0.59506967767697 0.71490328689394 204.383 > 5 9 Tl 0.55619600485891 0.34506967767697 0.03509671310606 204.383 > 9 10 Tl 0.55619600485891 0.84506967767697 0.03509671310606 204.383 > 9 11 Tl 0.55619600485891 0.34506967767697 0.53509671310606 204.383 > 9 12 Tl 0.55619600485891 0.84506967767697 0.53509671310606 204.383 > 9 13 Tl 0.72820684472051 0.19541813518684 0.20466262830572 204.383 > 13 14 Tl 0.72820684472051 0.69541813518684 0.20466262830572 204.383 > 13 15 Tl 0.72820684472051 0.19541813518684 0.70466262830572 204.383 > 13 16 Tl 0.72820684472051 0.69541813518684 0.70466262830572 204.383 > 13 17 Tl 0.27179315527949 0.44541813518684 0.04533737169428 204.383 > 17 18 Tl 0.27179315527949 0.94541813518684 0.04533737169428 204.383 > 17 19 Tl 0.27179315527949 0.44541813518684 0.54533737169428 204.383 > 17 20 Tl 0.27179315527949 0.94541813518684 0.54533737169428 204.383 > 17 21 Tl 0.27179315527949 0.30458186481316 0.29533737169428 204.383 > 21 22 Tl 0.27179315527949 0.80458186481316 0.29533737169428 204.383 > 21 23 Tl 0.27179315527949 0.30458186481316 0.79533737169428 204.383 > 21 24 Tl 0.27179315527949 0.80458186481316 0.79533737169428 204.383 > 21 25 Tl 0.55619600485891 0.40493032232303 0.28509671310606 204.383 > 25 26 Tl 0.55619600485891 0.90493032232303 0.28509671310606 204.383 > 25 27 Tl 0.55619600485891 0.40493032232303 0.78509671310606 204.383 > 25 28 Tl 0.55619600485891 0.90493032232303 0.78509671310606 204.383 > 25 29 Tl 0.72820684472051 0.05458186481316 0.45466262830572 204.383 > 29 30 Tl 0.72820684472051 0.55458186481316 0.45466262830572 204.383 > 29 31 Tl 0.72820684472051 0.05458186481316 0.95466262830572 204.383 > 29 32 Tl 0.72820684472051 0.55458186481316 0.95466262830572 204.383 > 29 33 Ge 0.75949908073629 0.26396744792630 0.39715307868643 72.640 > 33 34 Ge 0.75949908073629 0.76396744792630 0.39715307868643 72.640 > 33 35 Ge 0.75949908073629 0.26396744792630 0.89715307868643 72.640 > 33 36 Ge 0.75949908073629 0.76396744792630 0.89715307868643 72.640 > 33 37 Ge 0.75949908073629 0.48603255207370 0.14715307868643 72.640 > 37 38 Ge 0.75949908073629 0.98603255207370 0.14715307868643 72.640 > 37 39 Ge 0.75949908073629 0.48603255207370 0.64715307868643 72.640 > 37 40 Ge 0.75949908073629 0.98603255207370 0.64715307868643 72.640 > 37 41 Ge 0.24050091926371 0.23603255207370 0.10284692131357 72.640 > 41 42 Ge 0.24050091926371 0.73603255207370 0.10284692131357 72.640 > 41 43 Ge 0.24050091926371 0.23603255207370 0.60284692131357 72.640 > 41 44 Ge 0.24050091926371 0.73603255207370 0.60284692131357 72.640 > 41 45 Ge 0.24050091926371 0.01396744792630 0.35284692131357 72.640 > 45 46 Ge 0.24050091926371 0.51396744792630 0.35284692131357 72.640 > 45 47 Ge 0.24050091926371 0.01396744792630 0.85284692131357 72.640 > 45 48 Ge 0.24050091926371 0.51396744792630 0.85284692131357 72.640 > 45 49 Pb 0.94890594886850 0.34766228166925 0.05013981021362 207.200 > 49 50 Pb 0.94890594886850 0.84766228166925 0.05013981021362 207.200 > 49 51 Pb 0.94890594886850 0.34766228166925 0.55013981021362 207.200 > 49 52 Pb 0.94890594886850 0.84766228166925 0.55013981021362 207.200 > 49 53 Pb 0.05109405113150 0.09766228166925 0.19986018978638 207.200 > 53 54 Pb 0.05109405113150 0.59766228166925 0.19986018978638 207.200 > 53 55 Pb 0.05109405113150 0.09766228166925 0.69986018978638 207.200 > 53 56 Pb 0.05109405113150 0.59766228166925 0.69986018978638 207.200 > 53 57 Pb 0.94890594886850 0.40233771833075 0.30013981021362 207.200 > 57 58 Pb 0.94890594886850 0.90233771833075 0.30013981021362 207.200 > 57 59 Pb 0.94890594886850 0.40233771833075 0.80013981021362 207.200 > 57 60 Pb 0.94890594886850 0.90233771833075 0.80013981021362 207.200 > 57 61 Pb 0.05109405113150 0.15233771833075 0.44986018978638 207.200 > 61 62 Pb 0.05109405113150 0.65233771833075 0.44986018978638 207.200 > 61 63 Pb 0.05109405113150 0.15233771833075 0.94986018978638 207.200 > 61 64 Pb 0.05109405113150 0.65233771833075 0.94986018978638 207.200 > 61 65 S 0.20728574250252 0.46919309059015 0.23684014775969 32.065 > 65 66 S 0.20728574250252 0.96919309059015 0.23684014775969 32.065 > 65 67 S 0.20728574250252 0.46919309059015 0.73684014775969 32.065 > 65 68 S 0.20728574250252 0.96919309059015 0.73684014775969 32.065 > 65 69 S 0.57565117538065 0.01568342752880 0.08660043152158 32.065 > 69 70 S 0.57565117538065 0.51568342752880 0.08660043152158 32.065 > 69 71 S 0.57565117538065 0.01568342752880 0.58660043152158 32.065 > 69 72 S 0.57565117538065 0.51568342752880 0.58660043152158 32.065 > 69 73 S 0.20728574250252 0.28080690940985 0.48684014775969 32.065 > 73 74 S 0.20728574250252 0.78080690940985 0.48684014775969 32.065 > 73 75 S 0.20728574250252 0.28080690940985 0.98684014775969 32.065 > 73 76 S 0.20728574250252 0.78080690940985 0.98684014775969 32.065 > 73 77 S 0.76674177822899 0.38788947877644 0.41078374814011 32.065 > 77 78 S 0.76674177822899 0.88788947877644 0.41078374814011 32.065 > 77 79 S 0.76674177822899 0.38788947877644 0.91078374814011 32.065 > 77 80 S 0.76674177822899 0.88788947877644 0.91078374814011 32.065 > 77 81 S 0.92609392077618 0.23486304417834 0.32956190233767 32.065 > 81 82 S 0.92609392077618 0.73486304417835 0.32956190233767 32.065 > 81 83 S 0.92609392077618 0.23486304417834 0.82956190233767 32.065 > 81 84 S 0.92609392077618 0.73486304417835 0.82956190233767 32.065 > 81 85 S 0.42434882461935 0.48431657247120 0.41339956847842 32.065 > 85 86 S 0.42434882461935 0.98431657247120 0.41339956847842 32.065 > 85 87 S 0.42434882461935 0.48431657247120 0.91339956847842 32.065 > 85 88 S 0.42434882461935 0.98431657247120 0.91339956847842 32.065 > 85 89 S 0.07390607922382 0.26513695582165 0.17043809766233 32.065 > 89 90 S 0.07390607922382 0.76513695582165 0.17043809766233 32.065 > 89 91 S 0.07390607922382 0.26513695582165 0.67043809766233 32.065 > 89 92 S 0.07390607922382 0.76513695582165 0.67043809766233 32.065 > 89 93 S 0.42434882461935 0.26568342752880 0.16339956847842 32.065 > 93 94 S 0.42434882461935 0.76568342752880 0.16339956847842 32.065 > 93 95 S 0.42434882461935 0.26568342752880 0.66339956847842 32.065 > 93 96 S 0.42434882461935 0.76568342752880 0.66339956847842 32.065 > 93 97 S 0.79271425749748 0.03080690940985 0.26315985224031 32.065 > 97 98 S 0.79271425749748 0.53080690940985 0.26315985224031 32.065 > 97 99 S 0.79271425749748 0.03080690940985 0.76315985224031 32.065 > 97 100 S 0.79271425749748 0.53080690940985 0.76315985224031 32.065 > 97 101 S 0.23325822177101 0.13788947877644 0.33921625185989 32.065 > 101 102 S 0.23325822177101 0.63788947877644 0.33921625185989 32.065 > 101 103 S 0.23325822177101 0.13788947877644 0.83921625185989 32.065 > 101 104 S 0.23325822177101 0.63788947877644 0.83921625185989 32.065 > 101 105 S 0.76674177822899 0.36211052122356 0.16078374814011 32.065 > 105 106 S 0.76674177822899 0.86211052122356 0.16078374814011 32.065 > 105 107 S 0.76674177822899 0.36211052122356 0.66078374814011 32.065 > 105 108 S 0.76674177822899 0.86211052122356 0.66078374814011 32.065 > 105 109 S 0.23325822177101 0.11211052122356 0.08921625185989 32.065 > 109 110 S 0.23325822177101 0.61211052122356 0.08921625185989 32.065 > 109 111 S 0.23325822177101 0.11211052122356 0.58921625185989 32.065 > 109 112 S 0.23325822177101 0.61211052122356 0.58921625185989 32.065 > 109 113 S 0.07390607922382 0.48486304417835 0.42043809766233 32.065 > 113 114 S 0.07390607922382 0.98486304417835 0.42043809766233 32.065 > 113 115 S 0.07390607922382 0.48486304417835 0.92043809766233 32.065 > 113 116 S 0.07390607922382 0.98486304417835 0.92043809766233 32.065 > 113 117 S 0.57565117538065 0.23431657247120 0.33660043152158 32.065 > 117 118 S 0.57565117538065 0.73431657247120 0.33660043152158 32.065 > 117 119 S 0.57565117538065 0.23431657247120 0.83660043152158 32.065 > 117 120 S 0.57565117538065 0.73431657247120 0.83660043152158 32.065 > 117 121 S 0.79271425749748 0.21919309059015 0.01315985224031 32.065 > 121 122 S 0.79271425749748 0.71919309059015 0.01315985224031 32.065 > 121 123 S 0.79271425749748 0.21919309059015 0.51315985224031 32.065 > 121 124 S 0.79271425749748 0.71919309059015 0.51315985224031 32.065 > 121 125 S 0.92609392077618 0.01513695582165 0.07956190233767 32.065 > 125 126 S 0.92609392077618 0.51513695582165 0.07956190233767 32.065 > 125 127 S 0.92609392077618 0.01513695582165 0.57956190233767 32.065 > 125 128 S 0.92609392077618 0.51513695582165 0.57956190233767 32.065 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9219398 0.0000000 0.0158825 0.0000000 9.2307954 0.0000000 0.0158811 0.0000000 8.8731926 -------------------------- Born effective charges -------------------------- 1 Tl 2.2476941 0.2246710 -0.1405543 0.2724985 2.0375605 -0.2486461 -0.0403088 -0.1088562 2.1056336 2 Tl 2.2476941 -0.2246710 -0.1405543 -0.2724985 2.0375605 0.2486461 -0.0403088 0.1088562 2.1056336 3 Tl 2.2476941 0.2246710 -0.1405543 0.2724985 2.0375605 -0.2486461 -0.0403088 -0.1088562 2.1056336 4 Tl 1.9550766 -0.0689715 0.1117647 -0.1151931 2.1168373 0.0942228 0.1452824 0.0849538 2.1692267 5 Tl 1.9550766 0.0689715 0.1117647 0.1151931 2.1168373 -0.0942228 0.1452824 -0.0849538 2.1692267 6 Tl 1.9550766 -0.0689715 0.1117647 -0.1151931 2.1168373 0.0942228 0.1452824 0.0849538 2.1692267 7 Tl 2.2476941 -0.2246710 -0.1405543 -0.2724985 2.0375605 0.2486461 -0.0403088 0.1088562 2.1056336 8 Tl 1.9550766 0.0689715 0.1117647 0.1151931 2.1168373 -0.0942228 0.1452824 -0.0849538 2.1692267 9 Ge 2.8748921 0.2224598 0.4877532 0.1242750 2.5536408 0.2052097 0.4933127 0.1547585 2.7729534 10 Ge 2.8748921 -0.2224598 0.4877532 -0.1242750 2.5536408 -0.2052097 0.4933127 -0.1547585 2.7729534 11 Ge 2.8748921 0.2224598 0.4877532 0.1242750 2.5536408 0.2052097 0.4933127 0.1547585 2.7729534 12 Ge 2.8748921 -0.2224598 0.4877532 -0.1242750 2.5536408 -0.2052097 0.4933127 -0.1547585 2.7729534 13 Pb 3.2277317 -0.5777192 0.0818436 -0.9172405 3.7984262 -0.1559715 0.0493796 0.1356090 3.5600637 14 Pb 3.2277317 0.5777192 0.0818436 0.9172405 3.7984262 0.1559715 0.0493796 -0.1356090 3.5600637 15 Pb 3.2277317 0.5777192 0.0818436 0.9172405 3.7984262 0.1559715 0.0493796 -0.1356090 3.5600637 16 Pb 3.2277317 -0.5777192 0.0818436 -0.9172405 3.7984262 -0.1559715 0.0493796 0.1356090 3.5600637 17 S -2.3899510 -0.0315556 -0.1448899 0.1012383 -3.0857330 0.2323116 -0.1755712 0.3884837 -2.4078822 18 S -2.8840290 0.5139316 0.1912547 0.3651663 -1.9661828 0.0258577 -0.1992326 -0.0680211 -2.6300208 19 S -2.3899510 0.0315556 -0.1448899 -0.1012383 -3.0857330 -0.2323116 -0.1755712 -0.3884837 -2.4078822 20 S -2.5935317 -0.1069131 0.0332517 -0.2628692 -2.7746298 0.7198636 -0.0941062 0.0786630 -2.9876138 21 S -2.4378828 0.5627777 -0.6204236 0.3928104 -2.6799191 0.2274916 -0.1787559 0.5074919 -2.5823608 22 S -2.8840290 0.5139316 0.1912547 0.3651663 -1.9661828 0.0258577 -0.1992326 -0.0680211 -2.6300208 23 S -2.4378828 0.5627777 -0.6204236 0.3928104 -2.6799191 0.2274916 -0.1787559 0.5074919 -2.5823608 24 S -2.8840290 -0.5139316 0.1912547 -0.3651663 -1.9661828 -0.0258577 -0.1992326 0.0680211 -2.6300208 25 S -2.3899510 -0.0315556 -0.1448899 0.1012383 -3.0857330 0.2323116 -0.1755712 0.3884837 -2.4078822 26 S -2.5935317 0.1069131 0.0332517 0.2628692 -2.7746298 -0.7198636 -0.0941062 -0.0786630 -2.9876138 27 S -2.5935317 0.1069131 0.0332517 0.2628692 -2.7746298 -0.7198636 -0.0941062 -0.0786630 -2.9876138 28 S -2.5935317 -0.1069131 0.0332517 -0.2628692 -2.7746298 0.7198636 -0.0941062 0.0786630 -2.9876138 29 S -2.4378828 -0.5627777 -0.6204236 -0.3928104 -2.6799191 -0.2274916 -0.1787559 -0.5074919 -2.5823608 30 S -2.8840290 -0.5139316 0.1912547 -0.3651663 -1.9661828 -0.0258577 -0.1992326 0.0680211 -2.6300208 31 S -2.3899510 0.0315556 -0.1448899 -0.1012383 -3.0857330 -0.2323116 -0.1755712 -0.3884837 -2.4078822 32 S -2.4378828 -0.5627777 -0.6204236 -0.3928104 -2.6799191 -0.2274916 -0.1787559 -0.5074919 -2.5823608 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:25:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:25:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.336893040038794 0.000000000000000 0.000000000000000 b 0.000000000000000 9.032931269999999 0.000000000000000 c -0.567031319317076 0.000000000000000 8.862529813529742 Atomic positions (fractional): 1 Tl 0.44380399514109 0.30986064464606 0.92980657378789 204.383 2 Tl 0.44380399514109 0.19013935535394 0.42980657378789 204.383 3 Tl 0.55619600485891 0.69013935535394 0.07019342621211 204.383 4 Tl 0.72820684472051 0.39083627037369 0.40932525661144 204.383 5 Tl 0.27179315527949 0.89083627037369 0.09067474338856 204.383 6 Tl 0.27179315527949 0.60916372962631 0.59067474338856 204.383 7 Tl 0.55619600485891 0.80986064464606 0.57019342621211 204.383 8 Tl 0.72820684472051 0.10916372962631 0.90932525661144 204.383 9 Ge 0.75949908073629 0.52793489585260 0.79430615737286 72.640 10 Ge 0.75949908073629 0.97206510414740 0.29430615737286 72.640 11 Ge 0.24050091926371 0.47206510414740 0.20569384262714 72.640 12 Ge 0.24050091926371 0.02793489585260 0.70569384262714 72.640 13 Pb 0.94890594886850 0.69532456333850 0.10027962042724 207.200 14 Pb 0.05109405113150 0.19532456333850 0.39972037957276 207.200 15 Pb 0.94890594886850 0.80467543666150 0.60027962042724 207.200 16 Pb 0.05109405113150 0.30467543666150 0.89972037957276 207.200 17 S 0.20728574250252 0.93838618118030 0.47368029551939 32.065 18 S 0.57565117538065 0.03136685505760 0.17320086304315 32.065 19 S 0.20728574250252 0.56161381881970 0.97368029551938 32.065 20 S 0.76674177822899 0.77577895755288 0.82156749628023 32.065 21 S 0.92609392077618 0.46972608835669 0.65912380467534 32.065 22 S 0.42434882461935 0.96863314494240 0.82679913695685 32.065 23 S 0.07390607922382 0.53027391164331 0.34087619532466 32.065 24 S 0.42434882461935 0.53136685505760 0.32679913695685 32.065 25 S 0.79271425749748 0.06161381881970 0.52631970448062 32.065 26 S 0.23325822177101 0.27577895755289 0.67843250371977 32.065 27 S 0.76674177822899 0.72422104244712 0.32156749628023 32.065 28 S 0.23325822177101 0.22422104244711 0.17843250371977 32.065 29 S 0.07390607922382 0.96972608835669 0.84087619532466 32.065 30 S 0.57565117538065 0.46863314494240 0.67320086304315 32.065 31 S 0.79271425749748 0.43838618118030 0.02631970448061 32.065 32 S 0.92609392077618 0.03027391164331 0.15912380467534 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.336893040038794 0.000000000000000 0.000000000000000 b 0.000000000000000 18.065862539999998 0.000000000000000 c -1.134062638634152 0.000000000000000 17.725059627059483 Atomic positions (fractional): 1 Tl 0.44380399514109 0.15493032232303 0.46490328689394 204.383 > 1 2 Tl 0.44380399514109 0.65493032232303 0.46490328689394 204.383 > 1 3 Tl 0.44380399514109 0.15493032232303 0.96490328689394 204.383 > 1 4 Tl 0.44380399514109 0.65493032232303 0.96490328689394 204.383 > 1 5 Tl 0.44380399514109 0.09506967767697 0.21490328689394 204.383 > 5 6 Tl 0.44380399514109 0.59506967767697 0.21490328689394 204.383 > 5 7 Tl 0.44380399514109 0.09506967767697 0.71490328689394 204.383 > 5 8 Tl 0.44380399514109 0.59506967767697 0.71490328689394 204.383 > 5 9 Tl 0.55619600485891 0.34506967767697 0.03509671310606 204.383 > 9 10 Tl 0.55619600485891 0.84506967767697 0.03509671310606 204.383 > 9 11 Tl 0.55619600485891 0.34506967767697 0.53509671310606 204.383 > 9 12 Tl 0.55619600485891 0.84506967767697 0.53509671310606 204.383 > 9 13 Tl 0.72820684472051 0.19541813518684 0.20466262830572 204.383 > 13 14 Tl 0.72820684472051 0.69541813518684 0.20466262830572 204.383 > 13 15 Tl 0.72820684472051 0.19541813518684 0.70466262830572 204.383 > 13 16 Tl 0.72820684472051 0.69541813518684 0.70466262830572 204.383 > 13 17 Tl 0.27179315527949 0.44541813518684 0.04533737169428 204.383 > 17 18 Tl 0.27179315527949 0.94541813518684 0.04533737169428 204.383 > 17 19 Tl 0.27179315527949 0.44541813518684 0.54533737169428 204.383 > 17 20 Tl 0.27179315527949 0.94541813518684 0.54533737169428 204.383 > 17 21 Tl 0.27179315527949 0.30458186481316 0.29533737169428 204.383 > 21 22 Tl 0.27179315527949 0.80458186481316 0.29533737169428 204.383 > 21 23 Tl 0.27179315527949 0.30458186481316 0.79533737169428 204.383 > 21 24 Tl 0.27179315527949 0.80458186481316 0.79533737169428 204.383 > 21 25 Tl 0.55619600485891 0.40493032232303 0.28509671310606 204.383 > 25 26 Tl 0.55619600485891 0.90493032232303 0.28509671310606 204.383 > 25 27 Tl 0.55619600485891 0.40493032232303 0.78509671310606 204.383 > 25 28 Tl 0.55619600485891 0.90493032232303 0.78509671310606 204.383 > 25 29 Tl 0.72820684472051 0.05458186481316 0.45466262830572 204.383 > 29 30 Tl 0.72820684472051 0.55458186481316 0.45466262830572 204.383 > 29 31 Tl 0.72820684472051 0.05458186481316 0.95466262830572 204.383 > 29 32 Tl 0.72820684472051 0.55458186481316 0.95466262830572 204.383 > 29 33 Ge 0.75949908073629 0.26396744792630 0.39715307868643 72.640 > 33 34 Ge 0.75949908073629 0.76396744792630 0.39715307868643 72.640 > 33 35 Ge 0.75949908073629 0.26396744792630 0.89715307868643 72.640 > 33 36 Ge 0.75949908073629 0.76396744792630 0.89715307868643 72.640 > 33 37 Ge 0.75949908073629 0.48603255207370 0.14715307868643 72.640 > 37 38 Ge 0.75949908073629 0.98603255207370 0.14715307868643 72.640 > 37 39 Ge 0.75949908073629 0.48603255207370 0.64715307868643 72.640 > 37 40 Ge 0.75949908073629 0.98603255207370 0.64715307868643 72.640 > 37 41 Ge 0.24050091926371 0.23603255207370 0.10284692131357 72.640 > 41 42 Ge 0.24050091926371 0.73603255207370 0.10284692131357 72.640 > 41 43 Ge 0.24050091926371 0.23603255207370 0.60284692131357 72.640 > 41 44 Ge 0.24050091926371 0.73603255207370 0.60284692131357 72.640 > 41 45 Ge 0.24050091926371 0.01396744792630 0.35284692131357 72.640 > 45 46 Ge 0.24050091926371 0.51396744792630 0.35284692131357 72.640 > 45 47 Ge 0.24050091926371 0.01396744792630 0.85284692131357 72.640 > 45 48 Ge 0.24050091926371 0.51396744792630 0.85284692131357 72.640 > 45 49 Pb 0.94890594886850 0.34766228166925 0.05013981021362 207.200 > 49 50 Pb 0.94890594886850 0.84766228166925 0.05013981021362 207.200 > 49 51 Pb 0.94890594886850 0.34766228166925 0.55013981021362 207.200 > 49 52 Pb 0.94890594886850 0.84766228166925 0.55013981021362 207.200 > 49 53 Pb 0.05109405113150 0.09766228166925 0.19986018978638 207.200 > 53 54 Pb 0.05109405113150 0.59766228166925 0.19986018978638 207.200 > 53 55 Pb 0.05109405113150 0.09766228166925 0.69986018978638 207.200 > 53 56 Pb 0.05109405113150 0.59766228166925 0.69986018978638 207.200 > 53 57 Pb 0.94890594886850 0.40233771833075 0.30013981021362 207.200 > 57 58 Pb 0.94890594886850 0.90233771833075 0.30013981021362 207.200 > 57 59 Pb 0.94890594886850 0.40233771833075 0.80013981021362 207.200 > 57 60 Pb 0.94890594886850 0.90233771833075 0.80013981021362 207.200 > 57 61 Pb 0.05109405113150 0.15233771833075 0.44986018978638 207.200 > 61 62 Pb 0.05109405113150 0.65233771833075 0.44986018978638 207.200 > 61 63 Pb 0.05109405113150 0.15233771833075 0.94986018978638 207.200 > 61 64 Pb 0.05109405113150 0.65233771833075 0.94986018978638 207.200 > 61 65 S 0.20728574250252 0.46919309059015 0.23684014775969 32.065 > 65 66 S 0.20728574250252 0.96919309059015 0.23684014775969 32.065 > 65 67 S 0.20728574250252 0.46919309059015 0.73684014775969 32.065 > 65 68 S 0.20728574250252 0.96919309059015 0.73684014775969 32.065 > 65 69 S 0.57565117538065 0.01568342752880 0.08660043152158 32.065 > 69 70 S 0.57565117538065 0.51568342752880 0.08660043152158 32.065 > 69 71 S 0.57565117538065 0.01568342752880 0.58660043152158 32.065 > 69 72 S 0.57565117538065 0.51568342752880 0.58660043152158 32.065 > 69 73 S 0.20728574250252 0.28080690940985 0.48684014775969 32.065 > 73 74 S 0.20728574250252 0.78080690940985 0.48684014775969 32.065 > 73 75 S 0.20728574250252 0.28080690940985 0.98684014775969 32.065 > 73 76 S 0.20728574250252 0.78080690940985 0.98684014775969 32.065 > 73 77 S 0.76674177822899 0.38788947877644 0.41078374814011 32.065 > 77 78 S 0.76674177822899 0.88788947877644 0.41078374814011 32.065 > 77 79 S 0.76674177822899 0.38788947877644 0.91078374814011 32.065 > 77 80 S 0.76674177822899 0.88788947877644 0.91078374814011 32.065 > 77 81 S 0.92609392077618 0.23486304417834 0.32956190233767 32.065 > 81 82 S 0.92609392077618 0.73486304417835 0.32956190233767 32.065 > 81 83 S 0.92609392077618 0.23486304417834 0.82956190233767 32.065 > 81 84 S 0.92609392077618 0.73486304417835 0.82956190233767 32.065 > 81 85 S 0.42434882461935 0.48431657247120 0.41339956847842 32.065 > 85 86 S 0.42434882461935 0.98431657247120 0.41339956847842 32.065 > 85 87 S 0.42434882461935 0.48431657247120 0.91339956847842 32.065 > 85 88 S 0.42434882461935 0.98431657247120 0.91339956847842 32.065 > 85 89 S 0.07390607922382 0.26513695582165 0.17043809766233 32.065 > 89 90 S 0.07390607922382 0.76513695582165 0.17043809766233 32.065 > 89 91 S 0.07390607922382 0.26513695582165 0.67043809766233 32.065 > 89 92 S 0.07390607922382 0.76513695582165 0.67043809766233 32.065 > 89 93 S 0.42434882461935 0.26568342752880 0.16339956847842 32.065 > 93 94 S 0.42434882461935 0.76568342752880 0.16339956847842 32.065 > 93 95 S 0.42434882461935 0.26568342752880 0.66339956847842 32.065 > 93 96 S 0.42434882461935 0.76568342752880 0.66339956847842 32.065 > 93 97 S 0.79271425749748 0.03080690940985 0.26315985224031 32.065 > 97 98 S 0.79271425749748 0.53080690940985 0.26315985224031 32.065 > 97 99 S 0.79271425749748 0.03080690940985 0.76315985224031 32.065 > 97 100 S 0.79271425749748 0.53080690940985 0.76315985224031 32.065 > 97 101 S 0.23325822177101 0.13788947877644 0.33921625185989 32.065 > 101 102 S 0.23325822177101 0.63788947877644 0.33921625185989 32.065 > 101 103 S 0.23325822177101 0.13788947877644 0.83921625185989 32.065 > 101 104 S 0.23325822177101 0.63788947877644 0.83921625185989 32.065 > 101 105 S 0.76674177822899 0.36211052122356 0.16078374814011 32.065 > 105 106 S 0.76674177822899 0.86211052122356 0.16078374814011 32.065 > 105 107 S 0.76674177822899 0.36211052122356 0.66078374814011 32.065 > 105 108 S 0.76674177822899 0.86211052122356 0.66078374814011 32.065 > 105 109 S 0.23325822177101 0.11211052122356 0.08921625185989 32.065 > 109 110 S 0.23325822177101 0.61211052122356 0.08921625185989 32.065 > 109 111 S 0.23325822177101 0.11211052122356 0.58921625185989 32.065 > 109 112 S 0.23325822177101 0.61211052122356 0.58921625185989 32.065 > 109 113 S 0.07390607922382 0.48486304417835 0.42043809766233 32.065 > 113 114 S 0.07390607922382 0.98486304417835 0.42043809766233 32.065 > 113 115 S 0.07390607922382 0.48486304417835 0.92043809766233 32.065 > 113 116 S 0.07390607922382 0.98486304417835 0.92043809766233 32.065 > 113 117 S 0.57565117538065 0.23431657247120 0.33660043152158 32.065 > 117 118 S 0.57565117538065 0.73431657247120 0.33660043152158 32.065 > 117 119 S 0.57565117538065 0.23431657247120 0.83660043152158 32.065 > 117 120 S 0.57565117538065 0.73431657247120 0.83660043152158 32.065 > 117 121 S 0.79271425749748 0.21919309059015 0.01315985224031 32.065 > 121 122 S 0.79271425749748 0.71919309059015 0.01315985224031 32.065 > 121 123 S 0.79271425749748 0.21919309059015 0.51315985224031 32.065 > 121 124 S 0.79271425749748 0.71919309059015 0.51315985224031 32.065 > 121 125 S 0.92609392077618 0.01513695582165 0.07956190233767 32.065 > 125 126 S 0.92609392077618 0.51513695582165 0.07956190233767 32.065 > 125 127 S 0.92609392077618 0.01513695582165 0.57956190233767 32.065 > 125 128 S 0.92609392077618 0.51513695582165 0.57956190233767 32.065 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.9219398 0.0000000 0.0158825 0.0000000 9.2307954 0.0000000 0.0158811 0.0000000 8.8731926 -------------------------- Born effective charges -------------------------- 1 Tl 2.2476941 0.2246710 -0.1405543 0.2724985 2.0375605 -0.2486461 -0.0403088 -0.1088562 2.1056336 2 Tl 2.2476941 -0.2246710 -0.1405543 -0.2724985 2.0375605 0.2486461 -0.0403088 0.1088562 2.1056336 3 Tl 2.2476941 0.2246710 -0.1405543 0.2724985 2.0375605 -0.2486461 -0.0403088 -0.1088562 2.1056336 4 Tl 1.9550766 -0.0689715 0.1117647 -0.1151931 2.1168373 0.0942228 0.1452824 0.0849538 2.1692267 5 Tl 1.9550766 0.0689715 0.1117647 0.1151931 2.1168373 -0.0942228 0.1452824 -0.0849538 2.1692267 6 Tl 1.9550766 -0.0689715 0.1117647 -0.1151931 2.1168373 0.0942228 0.1452824 0.0849538 2.1692267 7 Tl 2.2476941 -0.2246710 -0.1405543 -0.2724985 2.0375605 0.2486461 -0.0403088 0.1088562 2.1056336 8 Tl 1.9550766 0.0689715 0.1117647 0.1151931 2.1168373 -0.0942228 0.1452824 -0.0849538 2.1692267 9 Ge 2.8748921 0.2224598 0.4877532 0.1242750 2.5536408 0.2052097 0.4933127 0.1547585 2.7729534 10 Ge 2.8748921 -0.2224598 0.4877532 -0.1242750 2.5536408 -0.2052097 0.4933127 -0.1547585 2.7729534 11 Ge 2.8748921 0.2224598 0.4877532 0.1242750 2.5536408 0.2052097 0.4933127 0.1547585 2.7729534 12 Ge 2.8748921 -0.2224598 0.4877532 -0.1242750 2.5536408 -0.2052097 0.4933127 -0.1547585 2.7729534 13 Pb 3.2277317 -0.5777192 0.0818436 -0.9172405 3.7984262 -0.1559715 0.0493796 0.1356090 3.5600637 14 Pb 3.2277317 0.5777192 0.0818436 0.9172405 3.7984262 0.1559715 0.0493796 -0.1356090 3.5600637 15 Pb 3.2277317 0.5777192 0.0818436 0.9172405 3.7984262 0.1559715 0.0493796 -0.1356090 3.5600637 16 Pb 3.2277317 -0.5777192 0.0818436 -0.9172405 3.7984262 -0.1559715 0.0493796 0.1356090 3.5600637 17 S -2.3899510 -0.0315556 -0.1448899 0.1012383 -3.0857330 0.2323116 -0.1755712 0.3884837 -2.4078822 18 S -2.8840290 0.5139316 0.1912547 0.3651663 -1.9661828 0.0258577 -0.1992326 -0.0680211 -2.6300208 19 S -2.3899510 0.0315556 -0.1448899 -0.1012383 -3.0857330 -0.2323116 -0.1755712 -0.3884837 -2.4078822 20 S -2.5935317 -0.1069131 0.0332517 -0.2628692 -2.7746298 0.7198636 -0.0941062 0.0786630 -2.9876138 21 S -2.4378828 0.5627777 -0.6204236 0.3928104 -2.6799191 0.2274916 -0.1787559 0.5074919 -2.5823608 22 S -2.8840290 0.5139316 0.1912547 0.3651663 -1.9661828 0.0258577 -0.1992326 -0.0680211 -2.6300208 23 S -2.4378828 0.5627777 -0.6204236 0.3928104 -2.6799191 0.2274916 -0.1787559 0.5074919 -2.5823608 24 S -2.8840290 -0.5139316 0.1912547 -0.3651663 -1.9661828 -0.0258577 -0.1992326 0.0680211 -2.6300208 25 S -2.3899510 -0.0315556 -0.1448899 0.1012383 -3.0857330 0.2323116 -0.1755712 0.3884837 -2.4078822 26 S -2.5935317 0.1069131 0.0332517 0.2628692 -2.7746298 -0.7198636 -0.0941062 -0.0786630 -2.9876138 27 S -2.5935317 0.1069131 0.0332517 0.2628692 -2.7746298 -0.7198636 -0.0941062 -0.0786630 -2.9876138 28 S -2.5935317 -0.1069131 0.0332517 -0.2628692 -2.7746298 0.7198636 -0.0941062 0.0786630 -2.9876138 29 S -2.4378828 -0.5627777 -0.6204236 -0.3928104 -2.6799191 -0.2274916 -0.1787559 -0.5074919 -2.5823608 30 S -2.8840290 -0.5139316 0.1912547 -0.3651663 -1.9661828 -0.0258577 -0.1992326 0.0680211 -2.6300208 31 S -2.3899510 0.0315556 -0.1448899 -0.1012383 -3.0857330 -0.2323116 -0.1755712 -0.3884837 -2.4078822 32 S -2.4378828 -0.5627777 -0.6204236 -0.3928104 -2.6799191 -0.2274916 -0.1787559 -0.5074919 -2.5823608 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 ... [ 5 6 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 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 0.652 ( 0.000 0.000 0.000) 0.000 0.731 ( 0.000 0.000 0.000) 0.000 0.737 ( 0.000 0.000 0.000) 0.000 0.841 ( 0.000 0.000 0.000) 0.000 0.842 ( 0.000 0.000 0.000) 0.000 0.905 ( 0.000 0.000 0.000) 0.000 0.948 ( 0.000 0.000 0.000) 0.000 1.023 ( 0.000 0.000 0.000) 0.000 1.027 ( 0.000 0.000 0.000) 0.000 1.031 ( 0.000 0.000 0.000) 0.000 1.033 ( 0.000 0.000 0.000) 0.000 1.117 ( 0.000 0.000 0.000) 0.000 1.129 ( 0.000 0.000 0.000) 0.000 1.129 ( 0.000 0.000 0.000) 0.000 1.171 ( 0.000 0.000 0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.246 ( 0.000 0.000 0.000) 0.000 1.265 ( 0.000 0.000 0.000) 0.000 1.288 ( 0.000 0.000 0.000) 0.000 1.376 ( 0.000 0.000 0.000) 0.000 1.393 ( 0.000 0.000 0.000) 0.000 1.421 ( 0.000 0.000 0.000) 0.000 1.484 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.759 ( 0.000 0.000 0.000) 0.000 5.838 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.009 ( 0.000 0.000 0.000) 0.000 6.039 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.385 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 6.780 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 10.212 ( 0.000 0.000 0.000) 0.000 10.239 ( 0.000 0.000 0.000) 0.000 10.247 ( 0.000 0.000 0.000) 0.000 10.254 ( 0.000 0.000 0.000) 0.000 10.425 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.553 ( 0.000 0.000 0.000) 0.000 10.717 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.121 ( 0.000 0.000 0.000) 0.000 11.144 ( 0.000 0.000 0.000) 0.000 11.209 ( 0.000 0.000 0.000) 0.000 11.614 ( 0.000 0.000 0.000) 0.000 11.709 ( 0.000 0.000 0.000) 0.000 11.839 ( 0.000 0.000 0.000) 0.000 11.929 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.203 ( 9.789 0.000 1.935) 9.978 0.263 ( 14.337 0.000 -11.573) 18.425 0.425 ( 19.190 0.000 13.191) 23.287 0.648 ( -1.800 0.000 -1.055) 2.086 0.726 ( 0.052 0.000 0.520) 0.523 0.767 ( 2.913 0.000 -1.059) 3.100 0.825 ( -1.495 0.000 0.393) 1.546 0.864 ( -1.799 0.000 2.280) 2.905 0.902 ( -4.913 0.000 -3.318) 5.929 0.910 ( 0.074 0.000 -1.073) 1.076 0.971 ( 0.857 0.000 0.949) 1.279 1.003 ( -6.001 0.000 -1.935) 6.305 1.018 ( -1.697 0.000 -0.704) 1.838 1.026 ( -6.507 0.000 0.246) 6.512 1.099 ( -2.728 0.000 2.285) 3.559 1.133 ( -0.683 0.000 0.028) 0.684 1.144 ( 3.727 0.000 2.092) 4.274 1.181 ( 1.116 0.000 0.092) 1.119 1.197 ( 1.167 0.000 -0.088) 1.170 1.231 ( 0.546 0.000 -0.192) 0.579 1.300 ( 2.433 0.000 4.819) 5.399 1.341 ( 2.788 0.000 -0.113) 2.791 1.376 ( -0.926 0.000 -0.553) 1.078 1.412 ( 1.325 0.000 -3.217) 3.479 1.418 ( -1.147 0.000 0.403) 1.216 1.453 ( -1.641 0.000 -0.469) 1.707 1.502 ( -2.615 0.000 0.153) 2.620 1.532 ( 2.415 0.000 1.146) 2.674 1.559 ( 2.264 0.000 -0.751) 2.386 1.611 ( -2.130 0.000 -1.193) 2.441 1.654 ( 1.432 0.000 0.338) 1.472 1.755 ( -0.125 0.000 0.780) 0.790 1.820 ( 2.289 0.000 0.188) 2.297 1.982 ( -1.787 0.000 -4.166) 4.533 2.016 ( -2.909 0.000 0.725) 2.998 2.099 ( 1.120 0.000 -1.729) 2.060 2.244 ( 0.619 0.000 1.103) 1.265 2.257 ( 1.082 0.000 0.179) 1.097 2.648 ( -0.680 0.000 1.071) 1.269 2.665 ( 0.892 0.000 -3.934) 4.034 2.704 ( -0.079 0.000 -3.524) 3.525 2.759 ( -3.998 0.000 -1.076) 4.140 2.804 ( 1.154 0.000 2.649) 2.889 2.959 ( 3.304 0.000 1.714) 3.723 2.971 ( 1.441 0.000 -5.481) 5.667 3.110 ( 0.092 0.000 1.353) 1.356 3.146 ( -3.691 0.000 4.656) 5.941 3.282 ( -0.319 0.000 -0.482) 0.578 3.283 ( -2.529 0.000 -0.752) 2.638 3.312 ( 1.682 0.000 0.611) 1.790 3.484 ( -4.691 0.000 -1.987) 5.094 3.608 ( 3.661 0.000 8.635) 9.379 3.663 ( 3.337 0.000 0.274) 3.348 3.896 ( -4.011 0.000 -1.037) 4.142 3.974 ( 0.498 0.000 -0.841) 0.978 4.022 ( 1.030 0.000 -0.089) 1.034 4.094 ( -1.504 0.000 -1.472) 2.105 4.334 ( 1.660 0.000 -0.966) 1.921 4.391 ( -3.677 0.000 2.457) 4.423 4.514 ( 2.360 0.000 -1.893) 3.026 4.612 ( 6.691 0.000 1.152) 6.790 4.915 ( -4.047 0.000 -2.381) 4.695 5.124 ( 1.827 0.000 3.721) 4.146 5.171 ( -6.310 0.000 -1.999) 6.619 5.375 ( 1.754 0.000 -0.541) 1.835 5.397 ( 3.759 0.000 -1.616) 4.092 5.477 ( -0.883 0.000 3.999) 4.096 5.522 ( -2.302 0.000 1.775) 2.907 5.717 ( -3.380 0.000 3.469) 4.843 5.861 ( 0.308 0.000 -5.341) 5.350 5.920 ( -1.173 0.000 -0.423) 1.247 5.979 ( 2.153 0.000 -2.386) 3.214 6.144 ( 4.336 0.000 -0.824) 4.413 6.195 ( 0.003 0.000 -1.293) 1.293 6.359 ( -2.166 0.000 -0.315) 2.189 6.760 ( 3.530 0.000 1.033) 3.678 6.768 ( -0.427 0.000 4.404) 4.424 6.789 ( 1.314 0.000 -5.959) 6.102 6.840 ( -0.906 0.000 12.447) 12.480 7.244 ( -2.750 0.000 -0.093) 2.751 10.218 ( 0.300 0.000 0.204) 0.363 10.239 ( -0.017 0.000 -0.318) 0.318 10.246 ( -0.079 0.000 0.161) 0.179 10.256 ( 0.195 0.000 -0.142) 0.241 10.431 ( 0.496 0.000 0.166) 0.523 10.478 ( -0.200 0.000 -0.260) 0.328 10.556 ( -0.048 0.000 0.639) 0.641 10.703 ( -1.231 0.000 -0.300) 1.267 11.118 ( -0.087 0.000 -2.169) 2.170 11.142 ( 0.859 0.000 -8.797) 8.839 11.150 ( 0.575 0.000 -0.468) 0.742 11.208 ( -0.202 0.000 0.544) 0.580 11.624 ( 0.826 0.000 0.914) 1.232 11.831 ( -0.698 0.000 -1.019) 1.235 11.936 ( 0.697 0.000 -1.186) 1.375 12.031 ( -1.942 0.000 18.717) 18.817 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 8.127 0.000 1.763) 8.316 0.521 ( 13.139 0.000 -6.786) 14.788 0.546 ( -7.148 0.000 -1.941) 7.407 0.716 ( 4.024 0.000 6.021) 7.242 0.767 ( -2.111 0.000 -0.481) 2.165 0.767 ( -4.456 0.000 3.870) 5.902 0.770 ( 2.947 0.000 0.518) 2.992 0.834 ( 2.367 0.000 1.484) 2.794 0.865 ( -0.501 0.000 -1.401) 1.488 0.877 ( -1.432 0.000 -1.770) 2.277 0.893 ( -4.930 0.000 0.886) 5.009 0.923 ( -2.218 0.000 -1.789) 2.850 0.994 ( 0.384 0.000 0.370) 0.533 1.005 ( 0.475 0.000 -1.712) 1.777 1.061 ( -1.255 0.000 0.515) 1.357 1.116 ( -0.979 0.000 0.865) 1.307 1.204 ( 2.221 0.000 -0.005) 2.221 1.216 ( 1.085 0.000 -1.487) 1.841 1.231 ( 3.240 0.000 1.792) 3.702 1.251 ( 0.879 0.000 -0.090) 0.884 1.312 ( -1.914 0.000 3.160) 3.694 1.368 ( 0.205 0.000 0.996) 1.017 1.372 ( 0.528 0.000 1.242) 1.350 1.396 ( -1.100 0.000 0.179) 1.114 1.420 ( -4.659 0.000 -1.767) 4.983 1.421 ( 0.052 0.000 -2.381) 2.381 1.447 ( 1.235 0.000 -0.665) 1.402 1.573 ( 1.438 0.000 0.019) 1.439 1.582 ( -0.580 0.000 -0.500) 0.766 1.583 ( -0.008 0.000 0.233) 0.233 1.687 ( 1.527 0.000 0.191) 1.539 1.749 ( -0.282 0.000 0.219) 0.357 1.868 ( 2.109 0.000 0.518) 2.172 1.937 ( -1.969 0.000 -1.777) 2.653 1.962 ( -2.064 0.000 0.094) 2.066 2.112 ( 0.386 0.000 -0.828) 0.913 2.258 ( 0.393 0.000 0.806) 0.897 2.283 ( 1.111 0.000 0.063) 1.113 2.633 ( -0.528 0.000 -0.537) 0.754 2.691 ( -0.631 0.000 -3.344) 3.403 2.703 ( 2.155 0.000 1.785) 2.798 2.705 ( -1.273 0.000 0.895) 1.556 2.827 ( 1.360 0.000 1.894) 2.332 2.923 ( -4.491 0.000 -5.672) 7.234 3.021 ( 3.082 0.000 0.407) 3.108 3.086 ( -2.695 0.000 0.806) 2.813 3.147 ( 2.384 0.000 3.800) 4.486 3.245 ( -0.803 0.000 -0.121) 0.812 3.300 ( 1.949 0.000 -0.064) 1.950 3.345 ( 1.070 0.000 0.172) 1.084 3.378 ( -5.183 0.000 -2.108) 5.595 3.655 ( 0.439 0.000 2.043) 2.090 3.731 ( 2.639 0.000 0.311) 2.657 3.846 ( -0.744 0.000 -0.721) 1.036 3.976 ( -0.124 0.000 -0.757) 0.767 4.022 ( -0.704 0.000 1.045) 1.260 4.073 ( -0.241 0.000 -1.500) 1.519 4.335 ( -1.845 0.000 1.236) 2.221 4.368 ( 1.294 0.000 -0.306) 1.329 4.544 ( 0.882 0.000 -0.743) 1.153 4.741 ( 5.054 0.000 0.446) 5.073 4.848 ( -2.006 0.000 -0.866) 2.185 5.054 ( -4.567 0.000 -0.176) 4.570 5.155 ( 0.834 0.000 1.720) 1.912 5.413 ( 2.209 0.000 -1.975) 2.963 5.446 ( 1.537 0.000 -2.629) 3.045 5.464 ( -0.796 0.000 4.044) 4.122 5.468 ( -3.040 0.000 2.915) 4.212 5.669 ( -1.461 0.000 1.033) 1.790 5.833 ( -0.967 0.000 -1.255) 1.585 5.954 ( 2.028 0.000 -1.916) 2.790 6.032 ( 2.913 0.000 -2.121) 3.603 6.172 ( -2.127 0.000 1.076) 2.384 6.185 ( 0.440 0.000 0.133) 0.459 6.327 ( -0.720 0.000 -0.354) 0.803 6.765 ( -0.259 0.000 2.375) 2.389 6.808 ( 1.014 0.000 -3.345) 3.496 6.835 ( -0.555 0.000 3.434) 3.478 6.841 ( 3.383 0.000 0.565) 3.430 7.183 ( -2.606 0.000 -0.114) 2.608 10.224 ( 0.180 0.000 0.198) 0.268 10.238 ( 0.001 0.000 -0.253) 0.253 10.245 ( -0.017 0.000 0.074) 0.076 10.259 ( 0.079 0.000 -0.063) 0.101 10.441 ( 0.385 0.000 0.120) 0.403 10.474 ( -0.131 0.000 -0.156) 0.204 10.556 ( -0.020 0.000 0.255) 0.255 10.680 ( -0.810 0.000 -0.199) 0.834 11.115 ( -0.042 0.000 -0.867) 0.868 11.146 ( 0.250 0.000 -1.695) 1.713 11.161 ( 0.387 0.000 -0.376) 0.540 11.204 ( -0.177 0.000 0.420) 0.456 11.641 ( 0.588 0.000 0.665) 0.888 11.816 ( -0.508 0.000 -0.730) 0.889 11.949 ( 0.650 0.000 -1.245) 1.404 12.016 ( -0.991 0.000 5.376) 5.466 ======================= Grid point 5 (4/64) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.213 ( 0.000 11.278 0.000) 11.278 0.241 ( 0.000 12.810 0.000) 12.810 0.421 ( 0.000 20.632 0.000) 20.632 0.661 ( 0.000 0.659 0.000) 0.659 0.682 ( 0.000 -3.687 0.000) 3.687 0.744 ( 0.000 -0.886 0.000) 0.886 0.852 ( 0.000 1.098 0.000) 1.098 0.879 ( 0.000 1.982 0.000) 1.982 0.891 ( 0.000 -0.090 0.000) 0.090 0.967 ( 0.000 -0.629 0.000) 0.629 0.988 ( 0.000 1.518 0.000) 1.518 1.004 ( 0.000 -2.569 0.000) 2.569 1.065 ( 0.000 1.683 0.000) 1.683 1.069 ( 0.000 1.829 0.000) 1.829 1.128 ( 0.000 1.620 0.000) 1.620 1.148 ( 0.000 -1.069 0.000) 1.069 1.150 ( 0.000 1.668 0.000) 1.668 1.169 ( 0.000 -0.057 0.000) 0.057 1.169 ( 0.000 1.234 0.000) 1.234 1.237 ( 0.000 -1.270 0.000) 1.270 1.264 ( 0.000 -0.533 0.000) 0.533 1.311 ( 0.000 1.614 0.000) 1.614 1.384 ( 0.000 -1.143 0.000) 1.143 1.392 ( 0.000 -0.230 0.000) 0.230 1.415 ( 0.000 -0.943 0.000) 0.943 1.470 ( 0.000 -2.778 0.000) 2.778 1.521 ( 0.000 0.522 0.000) 0.522 1.528 ( 0.000 -0.323 0.000) 0.323 1.540 ( 0.000 1.516 0.000) 1.516 1.600 ( 0.000 -1.570 0.000) 1.570 1.696 ( 0.000 2.591 0.000) 2.591 1.713 ( 0.000 -3.271 0.000) 3.271 1.789 ( 0.000 -0.606 0.000) 0.606 1.820 ( 0.000 2.900 0.000) 2.900 2.056 ( 0.000 -3.221 0.000) 3.221 2.083 ( 0.000 0.541 0.000) 0.541 2.249 ( 0.000 1.698 0.000) 1.698 2.549 ( 0.000 -0.238 0.000) 0.238 2.630 ( 0.000 -0.056 0.000) 0.056 2.639 ( 0.000 -2.904 0.000) 2.904 2.764 ( 0.000 -0.112 0.000) 0.112 2.833 ( 0.000 0.388 0.000) 0.388 2.865 ( 0.000 0.002 0.000) 0.002 2.904 ( 0.000 -3.548 0.000) 3.548 2.929 ( 0.000 4.825 0.000) 4.825 3.071 ( 0.000 2.642 0.000) 2.642 3.230 ( 0.000 -4.779 0.000) 4.779 3.285 ( 0.000 -1.941 0.000) 1.941 3.293 ( 0.000 0.434 0.000) 0.434 3.386 ( 0.000 -0.885 0.000) 0.885 3.403 ( 0.000 2.524 0.000) 2.524 3.565 ( 0.000 1.071 0.000) 1.071 3.663 ( 0.000 -2.715 0.000) 2.715 3.943 ( 0.000 -2.890 0.000) 2.890 3.966 ( 0.000 -0.122 0.000) 0.122 3.974 ( 0.000 0.615 0.000) 0.615 4.131 ( 0.000 2.023 0.000) 2.023 4.313 ( 0.000 -0.768 0.000) 0.768 4.472 ( 0.000 0.391 0.000) 0.391 4.501 ( 0.000 -0.995 0.000) 0.995 4.583 ( 0.000 4.333 0.000) 4.333 4.952 ( 0.000 -1.952 0.000) 1.952 5.209 ( 0.000 0.429 0.000) 0.429 5.237 ( 0.000 0.737 0.000) 0.737 5.299 ( 0.000 0.287 0.000) 0.287 5.320 ( 0.000 -0.756 0.000) 0.756 5.391 ( 0.000 0.374 0.000) 0.374 5.547 ( 0.000 -0.013 0.000) 0.013 5.806 ( 0.000 -3.208 0.000) 3.208 5.928 ( 0.000 -3.215 0.000) 3.215 5.953 ( 0.000 1.285 0.000) 1.285 5.972 ( 0.000 -1.683 0.000) 1.683 6.133 ( 0.000 2.031 0.000) 2.031 6.199 ( 0.000 0.647 0.000) 0.647 6.234 ( 0.000 -5.982 0.000) 5.982 6.426 ( 0.000 1.004 0.000) 1.004 6.787 ( 0.000 1.855 0.000) 1.855 6.835 ( 0.000 1.341 0.000) 1.341 6.958 ( 0.000 2.156 0.000) 2.156 7.243 ( 0.000 -3.141 0.000) 3.141 10.216 ( 0.000 0.431 0.000) 0.431 10.241 ( 0.000 0.091 0.000) 0.091 10.254 ( 0.000 0.732 0.000) 0.732 10.291 ( 0.000 0.255 0.000) 0.255 10.477 ( 0.000 -0.343 0.000) 0.343 10.536 ( 0.000 -1.538 0.000) 1.538 10.734 ( 0.000 1.514 0.000) 1.514 10.777 ( 0.000 0.046 0.000) 0.046 11.050 ( 0.000 0.994 0.000) 0.994 11.126 ( 0.000 0.521 0.000) 0.521 11.180 ( 0.000 -0.913 0.000) 0.913 11.203 ( 0.000 -0.727 0.000) 0.727 11.623 ( 0.000 0.243 0.000) 0.243 11.699 ( 0.000 -0.991 0.000) 0.991 11.838 ( 0.000 -0.009 0.000) 0.009 11.917 ( 0.000 -1.245 0.000) 1.245 ======================= Grid point 6 (5/64) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( 5.658 6.547 -4.360) 9.689 0.399 ( 10.391 7.260 4.708) 13.522 0.549 ( 9.320 11.616 2.514) 15.103 0.664 ( -0.632 1.042 -0.480) 1.310 0.685 ( 1.410 -3.257 -0.101) 3.551 0.766 ( 1.645 -0.617 0.339) 1.790 0.834 ( -1.495 -0.066 1.628) 2.211 0.853 ( -2.580 0.905 -0.107) 2.737 0.910 ( -0.442 1.307 -0.575) 1.495 0.920 ( -1.812 0.797 -0.908) 2.178 0.961 ( -5.123 -1.558 -0.864) 5.424 0.978 ( -0.205 1.211 -0.574) 1.356 1.032 ( -5.072 0.428 0.854) 5.161 1.055 ( -0.875 2.296 -0.518) 2.512 1.096 ( -3.206 0.226 0.736) 3.297 1.127 ( -0.888 0.049 1.093) 1.409 1.152 ( 2.070 -0.774 0.735) 2.329 1.168 ( 0.676 -1.332 1.174) 1.900 1.191 ( 1.541 1.559 -1.852) 2.870 1.254 ( 1.549 0.141 1.505) 2.164 1.295 ( 1.413 -1.354 2.137) 2.897 1.332 ( 1.567 0.248 0.570) 1.686 1.381 ( -0.607 0.126 0.245) 0.667 1.410 ( 0.193 -0.244 -1.826) 1.852 1.426 ( 2.165 0.111 0.065) 2.169 1.473 ( -1.359 0.349 0.514) 1.494 1.507 ( -2.080 1.315 -0.107) 2.463 1.531 ( 1.293 -0.751 -1.125) 1.872 1.542 ( 2.280 0.040 0.513) 2.337 1.602 ( -0.517 -0.673 -1.077) 1.371 1.699 ( 0.447 1.766 -0.040) 1.822 1.719 ( 0.430 -1.832 0.574) 1.968 1.810 ( 1.930 -0.819 0.034) 2.097 1.874 ( 2.759 -1.835 -0.479) 3.348 2.032 ( -2.353 -0.708 1.831) 3.065 2.088 ( 0.517 -1.487 -2.700) 3.125 2.266 ( 1.750 2.495 1.045) 3.221 2.455 ( -6.368 7.862 0.548) 10.132 2.620 ( -0.888 -2.402 -1.894) 3.186 2.659 ( 1.701 -0.456 -0.198) 1.772 2.715 ( -3.732 -1.672 -2.093) 4.594 2.753 ( -3.035 1.848 -2.280) 4.222 2.851 ( -0.685 2.646 1.003) 2.911 2.914 ( 1.675 -2.627 -4.913) 5.818 2.982 ( 3.338 1.333 2.063) 4.144 3.086 ( 0.447 -0.571 2.457) 2.562 3.163 ( -4.411 -0.604 1.216) 4.615 3.265 ( -2.872 0.172 -0.274) 2.891 3.313 ( 1.497 0.101 0.695) 1.654 3.368 ( -0.990 4.294 -0.207) 4.411 3.457 ( 2.257 -3.750 -2.023) 4.822 3.544 ( -0.448 -0.823 3.430) 3.555 3.671 ( 1.541 -1.482 0.862) 2.306 3.877 ( -3.883 -2.030 -2.484) 5.037 3.972 ( 0.531 -0.225 -0.752) 0.947 4.024 ( 1.788 -0.096 1.662) 2.443 4.123 ( -0.099 3.587 -0.648) 3.646 4.321 ( 0.894 -1.112 0.429) 1.490 4.420 ( -4.123 1.656 0.877) 4.529 4.521 ( 1.782 -0.126 -1.696) 2.463 4.642 ( 5.636 3.098 0.873) 6.491 4.914 ( -3.938 -0.965 -0.707) 4.116 5.132 ( -0.926 0.800 2.266) 2.576 5.191 ( -5.498 2.126 -2.134) 6.269 5.315 ( 1.957 -3.026 0.624) 3.657 5.392 ( 1.652 -3.330 4.110) 5.542 5.432 ( 2.847 0.303 -1.337) 3.160 5.545 ( -0.416 0.183 -1.961) 2.013 5.778 ( -5.638 0.642 2.038) 6.029 5.863 ( -1.519 2.241 -2.746) 3.856 5.918 ( -0.895 -1.286 -0.476) 1.638 5.967 ( 1.466 -0.140 -1.937) 2.433 6.097 ( 3.141 -1.664 0.072) 3.556 6.187 ( -0.817 -1.274 1.422) 2.077 6.337 ( 2.353 -2.400 -1.504) 3.682 6.601 ( 7.594 -8.995 7.698) 14.065 6.807 ( 1.057 1.962 0.331) 2.253 6.834 ( 1.270 3.078 -6.074) 6.927 6.896 ( -4.037 3.681 5.032) 7.427 7.219 ( -2.329 -2.748 -0.016) 3.602 10.221 ( 0.383 0.347 0.025) 0.517 10.237 ( -0.274 0.037 -0.213) 0.349 10.254 ( -0.093 0.678 0.004) 0.684 10.282 ( -0.685 0.965 0.084) 1.186 10.463 ( -1.527 -0.064 0.153) 1.536 10.533 ( -0.383 -0.151 -1.015) 1.095 10.582 ( -5.734 7.345 1.555) 9.448 10.723 ( -1.308 1.687 -0.379) 2.168 11.114 ( 2.374 -0.789 -7.710) 8.106 11.126 ( 0.090 0.229 2.152) 2.166 11.165 ( -0.361 0.223 -2.667) 2.701 11.201 ( -0.203 -0.730 0.402) 0.858 11.629 ( 0.866 0.545 0.973) 1.412 11.827 ( -0.298 -0.803 -0.427) 0.957 11.883 ( 5.900 -8.617 11.888) 15.823 11.923 ( 0.790 -1.752 -2.010) 2.781 ======================= Grid point 7 (6/64) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 8.666 -0.594 -2.823) 9.134 0.540 ( 1.578 4.396 0.609) 4.710 0.598 ( -0.677 1.935 -3.017) 3.647 0.687 ( -1.143 -1.304 1.961) 2.618 0.733 ( 3.434 -2.655 1.143) 4.489 0.782 ( -1.466 1.410 1.327) 2.429 0.811 ( 1.477 1.531 1.794) 2.783 0.848 ( -2.140 0.310 -0.602) 2.245 0.854 ( 2.540 1.742 3.051) 4.335 0.875 ( -3.550 0.443 -0.659) 3.638 0.901 ( -1.690 0.799 -2.256) 2.930 0.937 ( -2.979 1.476 0.291) 3.337 0.992 ( 0.721 0.267 0.041) 0.770 1.025 ( -1.814 0.798 -1.126) 2.279 1.069 ( 0.144 1.735 -0.137) 1.746 1.106 ( -0.657 -0.578 1.140) 1.437 1.172 ( -0.168 -3.573 -0.472) 3.608 1.194 ( 0.732 -0.838 0.358) 1.169 1.234 ( 2.746 1.083 0.174) 2.957 1.287 ( 2.812 1.407 0.337) 3.162 1.321 ( -0.392 -0.260 2.185) 2.235 1.347 ( -0.257 -1.241 0.357) 1.317 1.380 ( 1.761 0.802 1.491) 2.443 1.394 ( -2.499 -0.368 -0.178) 2.532 1.431 ( -2.443 1.227 -2.157) 3.482 1.458 ( -0.802 4.153 -1.167) 4.388 1.473 ( 1.175 2.566 0.014) 2.822 1.559 ( 1.136 -1.661 0.163) 2.019 1.581 ( 0.984 -0.309 0.351) 1.090 1.585 ( -0.758 -0.182 -0.528) 0.942 1.705 ( 0.313 -2.821 -0.642) 2.910 1.735 ( 0.792 3.388 0.667) 3.542 1.852 ( 2.206 -1.609 0.021) 2.730 1.887 ( -1.035 -1.943 -0.303) 2.222 1.984 ( -1.978 1.092 0.270) 2.275 2.093 ( 0.217 -2.290 -0.988) 2.503 2.312 ( 2.432 3.723 0.723) 4.505 2.371 ( -2.562 7.537 -0.007) 7.960 2.607 ( -0.247 -1.898 -0.831) 2.086 2.653 ( -1.452 -3.284 -1.005) 3.728 2.703 ( 1.541 -0.467 1.851) 2.454 2.717 ( -0.737 -0.085 -1.110) 1.335 2.845 ( 0.201 1.654 1.439) 2.202 2.905 ( -2.221 -1.107 -5.612) 6.136 3.028 ( 1.667 0.592 0.977) 2.021 3.096 ( -2.199 1.218 0.296) 2.531 3.119 ( 2.153 -2.037 3.046) 4.250 3.231 ( -0.677 -0.544 -0.076) 0.872 3.330 ( -0.093 -1.396 0.707) 1.567 3.364 ( 0.687 3.750 -0.032) 3.813 3.413 ( -3.280 4.021 -2.481) 5.751 3.584 ( 1.623 -6.407 1.487) 6.774 3.706 ( 1.340 -2.533 0.202) 2.873 3.821 ( -1.394 -2.202 -0.653) 2.687 3.985 ( 0.856 0.971 -0.792) 1.517 4.034 ( -0.390 1.134 0.640) 1.360 4.128 ( 0.346 5.207 -0.295) 5.227 4.340 ( 0.468 -1.239 0.669) 1.484 4.356 ( -1.831 0.512 0.075) 1.903 4.548 ( 0.872 -0.094 -0.644) 1.088 4.752 ( 4.229 0.973 0.175) 4.343 4.845 ( -2.284 -0.699 -0.612) 2.466 5.089 ( -3.505 3.305 0.125) 4.818 5.143 ( 0.375 -0.870 0.859) 1.279 5.342 ( 0.783 -3.636 -0.028) 3.719 5.400 ( -0.449 -3.817 2.346) 4.502 5.475 ( 1.579 0.884 -0.938) 2.038 5.525 ( -1.060 1.477 -0.424) 1.867 5.690 ( -2.460 2.124 1.519) 3.588 5.843 ( -0.690 1.271 -0.906) 1.707 5.946 ( 2.740 -1.532 -2.597) 4.074 5.991 ( -0.350 -3.001 0.348) 3.041 6.143 ( 2.082 -1.094 -1.283) 2.680 6.177 ( -0.792 -0.046 1.745) 1.917 6.362 ( 0.487 1.003 -0.138) 1.123 6.669 ( 0.514 -8.998 2.290) 9.299 6.808 ( 0.849 0.667 -3.729) 3.882 6.844 ( -1.964 1.018 4.445) 4.965 6.894 ( 2.683 4.243 -0.796) 5.083 7.169 ( -2.077 -1.666 -0.082) 2.664 10.225 ( 0.010 0.186 0.184) 0.262 10.236 ( 0.214 -0.036 -0.365) 0.425 10.252 ( -0.034 0.565 0.017) 0.567 10.272 ( -0.356 0.901 0.109) 0.975 10.438 ( -0.660 -0.032 0.149) 0.677 10.526 ( 0.082 4.149 -1.174) 4.312 10.545 ( -0.490 -0.405 1.243) 1.396 10.699 ( -0.808 1.589 -0.201) 1.794 11.119 ( -0.028 0.463 -1.026) 1.126 11.144 ( 0.738 -0.139 -1.415) 1.602 11.161 ( 0.013 -0.001 -0.203) 0.203 11.197 ( -0.193 -0.750 0.419) 0.880 11.648 ( 0.647 0.751 0.723) 1.227 11.814 ( -0.474 -0.161 -0.699) 0.860 11.926 ( 0.335 -2.338 0.589) 2.434 11.953 ( 0.826 -5.677 2.614) 6.305 ======================= Grid point 10 (7/64) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 0.000 9.104 0.000) 9.104 0.465 ( 0.000 11.201 0.000) 11.201 0.614 ( 0.000 -3.458 0.000) 3.458 0.671 ( 0.000 0.493 0.000) 0.493 0.696 ( 0.000 4.984 0.000) 4.984 0.720 ( 0.000 -0.978 0.000) 0.978 0.876 ( 0.000 3.073 0.000) 3.073 0.876 ( 0.000 1.243 0.000) 1.243 0.934 ( 0.000 -0.372 0.000) 0.372 0.956 ( 0.000 0.766 0.000) 0.766 0.970 ( 0.000 1.720 0.000) 1.720 1.035 ( 0.000 1.653 0.000) 1.653 1.057 ( 0.000 -2.512 0.000) 2.512 1.095 ( 0.000 0.475 0.000) 0.475 1.130 ( 0.000 0.297 0.000) 0.297 1.140 ( 0.000 -2.407 0.000) 2.407 1.175 ( 0.000 1.056 0.000) 1.056 1.184 ( 0.000 -0.092 0.000) 0.092 1.201 ( 0.000 2.419 0.000) 2.419 1.210 ( 0.000 0.265 0.000) 0.265 1.270 ( 0.000 0.930 0.000) 0.930 1.346 ( 0.000 -2.656 0.000) 2.656 1.355 ( 0.000 3.429 0.000) 3.429 1.379 ( 0.000 -0.939 0.000) 0.939 1.383 ( 0.000 -2.098 0.000) 2.098 1.437 ( 0.000 -0.844 0.000) 0.844 1.516 ( 0.000 -0.539 0.000) 0.539 1.535 ( 0.000 0.091 0.000) 0.091 1.586 ( 0.000 0.535 0.000) 0.535 1.592 ( 0.000 3.927 0.000) 3.927 1.662 ( 0.000 -1.302 0.000) 1.302 1.731 ( 0.000 1.391 0.000) 1.391 1.776 ( 0.000 -0.846 0.000) 0.846 1.876 ( 0.000 0.669 0.000) 0.669 1.960 ( 0.000 -4.768 0.000) 4.768 2.066 ( 0.000 -2.558 0.000) 2.558 2.316 ( 0.000 5.462 0.000) 5.462 2.529 ( 0.000 -3.107 0.000) 3.107 2.586 ( 0.000 -1.442 0.000) 1.442 2.619 ( 0.000 -1.226 0.000) 1.226 2.773 ( 0.000 0.937 0.000) 0.937 2.840 ( 0.000 -2.851 0.000) 2.851 2.844 ( 0.000 0.901 0.000) 0.901 2.867 ( 0.000 -0.088 0.000) 0.088 3.028 ( 0.000 5.292 0.000) 5.292 3.105 ( 0.000 0.989 0.000) 0.989 3.174 ( 0.000 -0.794 0.000) 0.794 3.243 ( 0.000 -2.452 0.000) 2.452 3.303 ( 0.000 0.447 0.000) 0.447 3.358 ( 0.000 -2.165 0.000) 2.165 3.428 ( 0.000 0.692 0.000) 0.692 3.519 ( 0.000 -4.749 0.000) 4.749 3.686 ( 0.000 4.425 0.000) 4.425 3.872 ( 0.000 -4.531 0.000) 4.531 3.965 ( 0.000 0.037 0.000) 0.037 3.974 ( 0.000 -0.389 0.000) 0.389 4.184 ( 0.000 3.400 0.000) 3.400 4.287 ( 0.000 -1.977 0.000) 1.977 4.477 ( 0.000 0.014 0.000) 0.014 4.484 ( 0.000 -0.833 0.000) 0.833 4.684 ( 0.000 6.287 0.000) 6.287 4.896 ( 0.000 -4.157 0.000) 4.157 5.223 ( 0.000 1.033 0.000) 1.033 5.247 ( 0.000 0.151 0.000) 0.151 5.307 ( 0.000 0.469 0.000) 0.469 5.313 ( 0.000 0.038 0.000) 0.038 5.403 ( 0.000 1.283 0.000) 1.283 5.521 ( 0.000 -3.209 0.000) 3.209 5.758 ( 0.000 -0.757 0.000) 0.757 5.854 ( 0.000 -4.300 0.000) 4.300 5.970 ( 0.000 1.189 0.000) 1.189 5.985 ( 0.000 1.855 0.000) 1.855 6.123 ( 0.000 -2.159 0.000) 2.159 6.133 ( 0.000 -4.564 0.000) 4.564 6.252 ( 0.000 4.182 0.000) 4.182 6.403 ( 0.000 -3.048 0.000) 3.048 6.854 ( 0.000 4.312 0.000) 4.312 6.867 ( 0.000 1.914 0.000) 1.914 6.991 ( 0.000 1.728 0.000) 1.728 7.161 ( 0.000 -5.458 0.000) 5.458 10.226 ( 0.000 0.518 0.000) 0.518 10.240 ( 0.000 -0.200 0.000) 0.200 10.272 ( 0.000 1.128 0.000) 1.128 10.296 ( 0.000 0.124 0.000) 0.124 10.472 ( 0.000 -0.100 0.000) 0.100 10.505 ( 0.000 -1.701 0.000) 1.701 10.761 ( 0.000 1.217 0.000) 1.217 10.778 ( 0.000 0.025 0.000) 0.025 11.078 ( 0.000 1.957 0.000) 1.957 11.139 ( 0.000 0.699 0.000) 0.699 11.156 ( 0.000 -1.439 0.000) 1.439 11.184 ( 0.000 -1.175 0.000) 1.175 11.632 ( 0.000 0.709 0.000) 0.709 11.676 ( 0.000 -1.453 0.000) 1.453 11.842 ( 0.000 0.495 0.000) 0.495 11.888 ( 0.000 -1.742 0.000) 1.742 ======================= Grid point 11 (8/64) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( -0.953 8.599 0.416) 8.662 0.526 ( 5.375 6.590 4.560) 9.650 0.613 ( 0.673 -4.046 1.144) 4.258 0.670 ( -1.412 1.255 -2.466) 3.107 0.694 ( -0.647 0.293 1.271) 1.456 0.747 ( 2.100 -1.556 -0.379) 2.641 0.871 ( -0.955 1.291 -1.220) 2.017 0.879 ( 0.236 3.802 -0.133) 3.812 0.920 ( -2.627 0.633 0.531) 2.754 0.946 ( -1.150 0.776 1.346) 1.933 0.969 ( 0.093 2.940 1.277) 3.207 0.999 ( -3.360 -0.854 1.755) 3.886 1.042 ( -2.465 1.838 -0.615) 3.135 1.060 ( -1.607 -1.155 0.161) 1.985 1.106 ( -1.268 -2.364 0.005) 2.683 1.117 ( -2.340 -0.913 0.433) 2.549 1.139 ( -1.583 2.044 -1.453) 2.966 1.171 ( 1.293 0.575 -0.903) 1.679 1.224 ( 1.470 1.319 0.786) 2.126 1.253 ( 2.084 0.859 0.492) 2.307 1.278 ( 1.038 -0.089 0.931) 1.397 1.342 ( 0.236 0.422 0.993) 1.104 1.377 ( 0.084 -0.436 1.196) 1.276 1.389 ( 0.418 -1.618 0.774) 1.842 1.429 ( 4.308 0.303 0.182) 4.323 1.460 ( 1.413 -0.893 0.662) 1.798 1.518 ( 0.665 -0.510 0.761) 1.132 1.526 ( -0.265 0.055 -1.492) 1.516 1.589 ( 0.333 1.069 -0.277) 1.153 1.605 ( 0.566 5.318 -2.727) 6.003 1.655 ( -0.366 -2.244 -0.486) 2.325 1.752 ( 2.007 1.730 0.776) 2.761 1.796 ( 1.546 -0.805 0.137) 1.748 1.891 ( 1.224 1.019 -0.311) 1.622 1.965 ( 0.272 -4.986 0.996) 5.091 2.054 ( -1.188 -2.404 -0.607) 2.749 2.337 ( 1.967 4.964 0.698) 5.385 2.511 ( -1.880 -1.458 0.059) 2.380 2.582 ( -0.227 -0.420 0.244) 0.536 2.635 ( 1.034 -1.832 0.002) 2.104 2.705 ( -4.304 0.366 -2.244) 4.868 2.750 ( -5.287 -1.686 -1.714) 5.808 2.879 ( 0.408 0.749 -0.240) 0.886 2.888 ( 1.796 -0.571 -2.795) 3.371 3.032 ( 0.276 3.515 1.710) 3.918 3.086 ( -1.209 0.307 2.264) 2.585 3.162 ( -1.187 1.281 0.352) 1.781 3.266 ( -1.194 -0.129 -0.673) 1.376 3.311 ( -0.901 -0.954 0.948) 1.619 3.330 ( 2.619 -4.887 -0.248) 5.550 3.455 ( 1.354 1.579 -2.165) 3.003 3.529 ( 0.074 -2.544 0.709) 2.642 3.673 ( -0.790 3.133 -0.194) 3.237 3.827 ( -3.251 -3.368 -2.037) 5.105 3.974 ( 1.228 0.576 -0.105) 1.360 4.012 ( 2.599 -1.073 1.813) 3.346 4.202 ( 1.434 4.124 0.687) 4.420 4.296 ( 0.496 -1.595 1.285) 2.107 4.443 ( -2.809 1.111 -0.257) 3.031 4.502 ( 1.432 -1.673 -1.222) 2.518 4.714 ( 2.811 4.404 -0.084) 5.226 4.871 ( -2.574 -3.404 -0.265) 4.276 5.156 ( -3.067 1.925 1.291) 3.844 5.231 ( -3.299 0.916 -0.419) 3.450 5.283 ( 0.066 -0.221 1.295) 1.315 5.341 ( 0.301 -2.038 0.934) 2.262 5.437 ( 2.621 0.460 -2.139) 3.415 5.521 ( -0.015 -2.846 -1.560) 3.245 5.761 ( -0.287 0.141 0.496) 0.590 5.861 ( 0.567 -3.779 -0.018) 3.821 5.926 ( -3.377 3.229 0.360) 4.686 5.981 ( -0.006 0.791 -0.565) 0.972 6.102 ( 1.214 0.988 -2.797) 3.205 6.158 ( 1.466 -1.659 3.828) 4.422 6.298 ( 2.975 -0.504 -1.872) 3.551 6.453 ( 3.045 -7.041 4.143) 8.719 6.850 ( -0.899 2.563 -0.093) 2.717 6.897 ( 2.434 2.411 -2.187) 4.064 6.952 ( -2.824 3.360 1.532) 4.649 7.146 ( -1.362 -4.961 0.157) 5.147 10.228 ( 0.249 0.400 -0.209) 0.516 10.237 ( -0.231 -0.054 -0.249) 0.344 10.269 ( -0.285 0.966 0.226) 1.032 10.292 ( -0.457 0.140 0.344) 0.589 10.462 ( -0.903 0.253 0.136) 0.947 10.507 ( 0.220 -1.744 -0.428) 1.810 10.692 ( -5.176 4.070 0.698) 6.622 10.747 ( -1.677 0.654 -0.225) 1.814 11.112 ( 2.434 0.625 -4.066) 4.780 11.136 ( -0.241 0.659 0.092) 0.708 11.158 ( 0.220 -0.668 -0.624) 0.941 11.183 ( -0.199 -1.161 0.504) 1.281 11.645 ( 1.298 1.319 1.361) 2.297 11.746 ( 4.639 -4.716 5.121) 8.366 11.838 ( -0.208 0.368 -0.590) 0.726 11.888 ( 0.011 -1.999 -1.502) 2.501 ======================= Grid point 12 (9/64) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 2.638 3.381 -1.300) 4.481 0.577 ( -2.139 -0.754 1.995) 3.020 0.607 ( -1.035 -1.242 -0.347) 1.654 0.658 ( 2.059 -1.707 0.394) 2.703 0.713 ( 2.029 0.691 0.961) 2.349 0.783 ( 1.452 -1.955 -0.338) 2.458 0.828 ( -2.941 2.205 0.399) 3.698 0.855 ( -1.901 0.483 -0.759) 2.103 0.875 ( -0.925 0.378 -0.017) 0.999 0.904 ( -3.403 -0.912 0.098) 3.524 0.949 ( 1.213 5.099 1.081) 5.352 0.976 ( -1.474 2.697 0.635) 3.139 1.009 ( -0.309 1.436 0.015) 1.469 1.032 ( -1.084 0.054 -0.804) 1.351 1.086 ( -0.628 -1.752 0.526) 1.934 1.099 ( -0.195 -3.856 0.388) 3.881 1.122 ( -0.366 3.167 -0.541) 3.234 1.189 ( 0.249 -0.311 -0.243) 0.467 1.252 ( 1.155 0.769 0.425) 1.451 1.291 ( 0.052 -1.688 0.323) 1.720 1.314 ( 3.650 1.843 0.632) 4.138 1.340 ( -0.331 0.360 0.956) 1.074 1.385 ( -0.522 -0.231 0.360) 0.675 1.393 ( 0.395 -0.373 1.069) 1.199 1.462 ( -0.509 1.777 -1.159) 2.182 1.500 ( 1.607 0.626 0.150) 1.731 1.512 ( 0.413 -1.326 1.014) 1.720 1.560 ( 1.544 -1.669 -0.264) 2.289 1.585 ( -0.147 0.226 -0.034) 0.271 1.610 ( 0.119 9.911 -0.644) 9.932 1.649 ( -0.308 -2.506 -1.568) 2.972 1.791 ( 1.302 1.643 0.428) 2.139 1.828 ( 1.717 -0.761 -0.263) 1.896 1.898 ( -0.918 2.766 0.494) 2.956 1.975 ( 1.037 -3.542 0.669) 3.751 2.023 ( -1.645 -4.363 -0.950) 4.758 2.384 ( 2.257 3.535 0.538) 4.228 2.465 ( -2.260 1.393 -0.219) 2.664 2.584 ( 0.429 0.346 0.848) 1.012 2.609 ( -2.256 -0.641 -2.022) 3.097 2.672 ( -1.339 -2.855 1.268) 3.399 2.692 ( 0.667 -1.997 -1.032) 2.345 2.872 ( -0.615 1.162 -0.471) 1.396 2.899 ( -0.160 0.008 -2.938) 2.942 3.042 ( 0.251 0.995 1.315) 1.668 3.085 ( 0.991 -1.356 2.384) 2.917 3.141 ( -0.877 3.413 0.092) 3.525 3.240 ( -0.481 1.630 -0.476) 1.765 3.287 ( -1.477 -3.148 -0.016) 3.477 3.376 ( 1.129 -3.355 -0.088) 3.541 3.476 ( 1.414 0.237 -2.692) 3.050 3.507 ( -1.887 0.800 1.524) 2.554 3.671 ( 0.245 0.048 -0.022) 0.250 3.775 ( -1.492 -2.800 -0.618) 3.232 4.011 ( 2.001 1.760 -0.087) 2.667 4.051 ( 0.856 0.300 0.367) 0.979 4.225 ( 0.532 4.225 0.921) 4.357 4.302 ( 0.119 -1.970 0.606) 2.065 4.389 ( -1.984 2.892 -0.293) 3.520 4.526 ( 0.834 -2.446 -0.504) 2.633 4.767 ( 1.966 0.626 -0.247) 2.078 4.818 ( -1.983 -1.973 -0.480) 2.838 5.135 ( 0.373 1.811 1.590) 2.439 5.168 ( -2.548 3.272 -0.978) 4.261 5.295 ( 0.747 -2.067 1.245) 2.526 5.327 ( -1.171 -3.677 0.243) 3.867 5.479 ( 1.513 -0.177 -0.824) 1.732 5.515 ( -0.311 -1.945 -1.238) 2.326 5.741 ( -1.227 3.324 1.095) 3.709 5.880 ( 0.840 -2.130 -0.670) 2.385 5.886 ( -0.481 0.947 -0.246) 1.091 5.967 ( -1.271 -0.788 0.578) 1.603 6.152 ( 3.094 1.828 -2.912) 4.625 6.191 ( 0.696 1.613 2.996) 3.473 6.342 ( 1.496 -2.194 -0.500) 2.702 6.490 ( 0.425 -9.339 1.403) 9.453 6.831 ( 0.005 1.618 -2.126) 2.672 6.864 ( -3.279 0.712 2.280) 4.057 6.973 ( 2.026 4.144 -0.296) 4.622 7.121 ( -0.907 -3.390 0.054) 3.509 10.230 ( -0.086 0.272 0.004) 0.285 10.236 ( 0.188 -0.013 -0.354) 0.401 10.264 ( -0.171 0.750 0.108) 0.777 10.282 ( -0.411 0.164 0.302) 0.535 10.446 ( -0.550 0.939 0.081) 1.092 10.510 ( 0.153 -1.979 -0.310) 2.009 10.629 ( -1.446 5.019 0.294) 5.232 10.719 ( -0.889 0.248 -0.121) 0.931 11.131 ( -0.015 0.805 -1.224) 1.465 11.144 ( 1.049 0.120 -1.560) 1.884 11.160 ( -0.117 -0.076 0.673) 0.687 11.179 ( -0.185 -1.092 0.453) 1.196 11.672 ( 0.906 2.037 0.985) 2.438 11.802 ( 0.497 -2.463 0.817) 2.642 11.848 ( 1.129 -3.133 2.246) 4.017 11.883 ( -0.220 -2.476 -2.103) 3.256 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 -5.343 0.000) 5.343 0.538 ( 0.000 5.343 0.000) 5.343 0.644 ( 0.000 -7.739 0.000) 7.739 0.644 ( 0.000 7.739 0.000) 7.739 0.686 ( 0.000 -1.386 0.000) 1.386 0.686 ( 0.000 1.386 0.000) 1.386 0.898 ( 0.000 -1.312 0.000) 1.312 0.898 ( 0.000 1.312 0.000) 1.312 0.994 ( 0.000 -2.491 0.000) 2.491 0.994 ( 0.000 2.491 0.000) 2.491 1.015 ( 0.000 -7.342 0.000) 7.342 1.015 ( 0.000 7.342 0.000) 7.342 1.030 ( 0.000 -1.854 0.000) 1.854 1.030 ( 0.000 1.854 0.000) 1.854 1.135 ( 0.000 -0.425 0.000) 0.425 1.135 ( 0.000 0.425 0.000) 0.425 1.173 ( 0.000 -0.163 0.000) 0.163 1.173 ( 0.000 0.163 0.000) 0.163 1.231 ( 0.000 -0.423 0.000) 0.423 1.231 ( 0.000 0.423 0.000) 0.423 1.297 ( 0.000 -2.434 0.000) 2.434 1.297 ( 0.000 2.434 0.000) 2.434 1.360 ( 0.000 -0.054 0.000) 0.054 1.360 ( 0.000 0.054 0.000) 0.054 1.417 ( 0.000 -1.903 0.000) 1.903 1.417 ( 0.000 1.903 0.000) 1.903 1.521 ( 0.000 -0.982 0.000) 0.982 1.521 ( 0.000 0.982 0.000) 0.982 1.610 ( 0.000 -1.350 0.000) 1.350 1.610 ( 0.000 1.350 0.000) 1.350 1.739 ( 0.000 -5.403 0.000) 5.403 1.739 ( 0.000 5.403 0.000) 5.403 1.765 ( 0.000 -2.489 0.000) 2.489 1.765 ( 0.000 2.489 0.000) 2.489 1.997 ( 0.000 -4.433 0.000) 4.433 1.997 ( 0.000 4.433 0.000) 4.433 2.432 ( 0.000 -6.442 0.000) 6.442 2.432 ( 0.000 6.442 0.000) 6.442 2.592 ( 0.000 -1.330 0.000) 1.330 2.592 ( 0.000 1.330 0.000) 1.330 2.797 ( 0.000 -1.757 0.000) 1.757 2.797 ( 0.000 1.757 0.000) 1.757 2.861 ( 0.000 -0.700 0.000) 0.700 2.861 ( 0.000 0.700 0.000) 0.700 3.100 ( 0.000 -1.991 0.000) 1.991 3.100 ( 0.000 1.991 0.000) 1.991 3.196 ( 0.000 -2.529 0.000) 2.529 3.196 ( 0.000 2.529 0.000) 2.529 3.316 ( 0.000 -1.582 0.000) 1.582 3.316 ( 0.000 1.582 0.000) 1.582 3.451 ( 0.000 -2.230 0.000) 2.230 3.451 ( 0.000 2.230 0.000) 2.230 3.781 ( 0.000 -5.289 0.000) 5.289 3.781 ( 0.000 5.289 0.000) 5.289 3.967 ( 0.000 -0.246 0.000) 0.246 3.967 ( 0.000 0.246 0.000) 0.246 4.243 ( 0.000 -2.784 0.000) 2.784 4.243 ( 0.000 2.784 0.000) 2.784 4.475 ( 0.000 -0.047 0.000) 0.047 4.475 ( 0.000 0.047 0.000) 0.047 4.801 ( 0.000 -5.998 0.000) 5.998 4.801 ( 0.000 5.998 0.000) 5.998 5.241 ( 0.000 -0.759 0.000) 0.759 5.241 ( 0.000 0.759 0.000) 0.759 5.313 ( 0.000 -0.168 0.000) 0.168 5.313 ( 0.000 0.168 0.000) 0.168 5.449 ( 0.000 -3.657 0.000) 3.657 5.449 ( 0.000 3.657 0.000) 3.657 5.783 ( 0.000 -3.000 0.000) 3.000 5.783 ( 0.000 3.000 0.000) 3.000 5.999 ( 0.000 -1.055 0.000) 1.055 5.999 ( 0.000 1.055 0.000) 1.055 6.089 ( 0.000 -0.449 0.000) 0.449 6.089 ( 0.000 0.449 0.000) 0.449 6.332 ( 0.000 -4.285 0.000) 4.285 6.332 ( 0.000 4.285 0.000) 4.285 6.894 ( 0.000 -0.365 0.000) 0.365 6.894 ( 0.000 0.365 0.000) 0.365 7.055 ( 0.000 -5.425 0.000) 5.425 7.055 ( 0.000 5.425 0.000) 5.425 10.234 ( 0.000 -0.407 0.000) 0.407 10.234 ( 0.000 0.407 0.000) 0.407 10.291 ( 0.000 -0.752 0.000) 0.752 10.291 ( 0.000 0.752 0.000) 0.752 10.479 ( 0.000 -0.956 0.000) 0.956 10.479 ( 0.000 0.956 0.000) 0.956 10.776 ( 0.000 -0.414 0.000) 0.414 10.776 ( 0.000 0.414 0.000) 0.414 11.117 ( 0.000 -2.150 0.000) 2.150 11.117 ( 0.000 2.150 0.000) 2.150 11.162 ( 0.000 -1.176 0.000) 1.176 11.162 ( 0.000 1.176 0.000) 1.176 11.650 ( 0.000 -1.253 0.000) 1.253 11.650 ( 0.000 1.253 0.000) 1.253 11.859 ( 0.000 -1.318 0.000) 1.318 11.859 ( 0.000 1.318 0.000) 1.318 ======================= Grid point 17 (11/64) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -1.203 -5.953 1.840) 6.346 0.523 ( -1.203 5.953 1.840) 6.346 0.636 ( -1.037 -4.822 1.943) 5.301 0.636 ( -1.037 4.822 1.943) 5.301 0.708 ( 1.918 -2.207 -0.750) 3.019 0.708 ( 1.918 2.207 -0.750) 3.019 0.890 ( -0.832 -0.940 -1.022) 1.619 0.890 ( -0.832 0.940 -1.022) 1.619 0.951 ( -3.852 -2.362 1.596) 4.792 0.951 ( -3.852 2.362 1.596) 4.792 1.008 ( -0.399 -1.532 1.313) 2.056 1.008 ( -0.399 1.532 1.313) 2.056 1.043 ( 0.348 -2.200 -0.356) 2.256 1.043 ( 0.348 2.200 -0.356) 2.256 1.088 ( -3.559 -2.043 -0.992) 4.222 1.088 ( -3.559 2.043 -0.992) 4.222 1.169 ( 0.289 -0.799 -0.411) 0.944 1.169 ( 0.289 0.799 -0.411) 0.944 1.251 ( 1.483 -2.058 0.557) 2.597 1.251 ( 1.483 2.058 0.557) 2.597 1.314 ( 1.257 -3.436 0.531) 3.697 1.314 ( 1.257 3.436 0.531) 3.697 1.373 ( 0.384 -0.672 1.333) 1.541 1.373 ( 0.384 0.672 1.333) 1.541 1.443 ( 2.825 -1.048 1.520) 3.375 1.443 ( 2.825 1.048 1.520) 3.375 1.519 ( -0.235 -0.613 -1.404) 1.550 1.519 ( -0.235 0.613 -1.404) 1.550 1.611 ( 0.071 -1.838 -0.797) 2.004 1.611 ( 0.071 1.838 -0.797) 2.004 1.764 ( 2.738 -7.460 -1.361) 8.062 1.764 ( 2.738 7.460 -1.361) 8.062 1.782 ( 1.255 -1.281 0.851) 1.985 1.782 ( 1.255 1.281 0.851) 1.985 1.992 ( -0.721 -3.974 0.396) 4.058 1.992 ( -0.721 3.974 0.396) 4.058 2.436 ( 0.299 -5.314 0.143) 5.324 2.436 ( 0.299 5.314 0.143) 5.324 2.601 ( 0.864 -1.702 0.630) 2.010 2.601 ( 0.864 1.702 0.630) 2.010 2.720 ( -5.338 -1.258 -2.333) 5.960 2.720 ( -5.338 1.258 -2.333) 5.960 2.884 ( 1.103 -0.150 -0.654) 1.291 2.884 ( 1.103 0.150 -0.654) 1.291 3.081 ( -1.832 -1.327 1.776) 2.876 3.081 ( -1.832 1.327 1.776) 2.876 3.217 ( 1.520 -4.429 -0.130) 4.684 3.217 ( 1.520 4.429 -0.130) 4.684 3.293 ( -1.282 -1.325 -0.659) 1.958 3.293 ( -1.282 1.325 -0.659) 1.958 3.482 ( 1.855 -1.824 -0.589) 2.668 3.482 ( 1.855 1.824 -0.589) 2.668 3.753 ( -2.292 -4.551 -0.936) 5.181 3.753 ( -2.292 4.551 -0.936) 5.181 3.991 ( 2.311 -1.124 0.885) 2.718 3.991 ( 2.311 1.124 0.885) 2.718 4.261 ( 1.196 -2.339 1.416) 2.985 4.261 ( 1.196 2.339 1.416) 2.985 4.469 ( -0.515 -1.705 -0.742) 1.930 4.469 ( -0.515 1.705 -0.742) 1.930 4.797 ( -0.464 -4.443 -0.540) 4.500 4.797 ( -0.464 4.443 -0.540) 4.500 5.202 ( -2.336 -2.777 1.683) 4.001 5.202 ( -2.336 2.777 1.683) 4.001 5.309 ( -1.122 -1.819 -0.715) 2.254 5.309 ( -1.122 1.819 -0.715) 2.254 5.463 ( 1.298 -2.562 -1.588) 3.282 5.463 ( 1.298 2.562 -1.588) 3.282 5.795 ( 0.870 -3.071 0.632) 3.254 5.795 ( 0.870 3.071 0.632) 3.254 5.975 ( -2.181 -1.720 0.341) 2.799 5.975 ( -2.181 1.720 0.341) 2.799 6.123 ( 3.572 -1.736 -0.908) 4.074 6.123 ( 3.572 1.736 -0.908) 4.074 6.342 ( 0.647 -4.754 1.470) 5.018 6.342 ( 0.647 4.754 1.470) 5.018 6.894 ( -0.718 -1.894 -0.500) 2.086 6.894 ( -0.718 1.894 -0.500) 2.086 7.044 ( -0.471 -5.812 0.411) 5.846 7.044 ( -0.471 5.812 0.411) 5.846 10.234 ( 0.019 -0.241 -0.322) 0.403 10.234 ( 0.019 0.241 -0.322) 0.403 10.286 ( -0.470 -0.734 0.458) 0.985 10.286 ( -0.470 0.734 0.458) 0.985 10.477 ( -0.186 -1.337 -0.180) 1.362 10.477 ( -0.186 1.337 -0.180) 1.362 10.741 ( -2.738 -1.403 0.146) 3.080 10.741 ( -2.738 1.403 0.146) 3.080 11.131 ( 1.171 -1.155 -2.587) 3.066 11.131 ( 1.171 1.155 -2.587) 3.066 11.161 ( -0.106 -1.025 1.178) 1.565 11.161 ( -0.106 1.025 1.178) 1.565 11.681 ( 2.489 -2.605 2.497) 4.384 11.681 ( 2.489 2.605 2.497) 4.384 11.855 ( -0.304 -1.411 -1.109) 1.820 11.855 ( -0.304 1.411 -1.109) 1.820 ======================= Grid point 19 (12/64) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -1.112 -5.598 0.816) 5.766 0.503 ( -1.112 5.598 0.816) 5.766 0.619 ( -0.144 -2.120 1.002) 2.349 0.619 ( -0.144 2.120 1.002) 2.349 0.743 ( 1.331 -2.063 -0.188) 2.463 0.743 ( 1.331 2.063 -0.188) 2.463 0.866 ( -1.286 -0.246 -1.396) 1.914 0.866 ( -1.286 0.246 -1.396) 1.914 0.876 ( -3.005 -1.401 1.246) 3.542 0.876 ( -3.005 1.401 1.246) 3.542 1.015 ( 0.946 -1.432 0.542) 1.800 1.015 ( 0.946 1.432 0.542) 1.800 1.030 ( -0.499 -3.315 -0.592) 3.404 1.030 ( -0.499 3.315 -0.592) 3.404 1.047 ( -1.236 -1.957 0.251) 2.328 1.047 ( -1.236 1.957 0.251) 2.328 1.170 ( -0.185 -1.779 -0.128) 1.793 1.170 ( -0.185 1.779 -0.128) 1.793 1.266 ( 0.084 -1.028 0.506) 1.149 1.266 ( 0.084 1.028 0.506) 1.149 1.348 ( 1.450 -1.146 0.403) 1.892 1.348 ( 1.450 1.146 0.403) 1.892 1.378 ( 0.322 -0.671 0.762) 1.065 1.378 ( 0.322 0.671 0.762) 1.065 1.483 ( -0.289 -1.261 0.148) 1.302 1.483 ( -0.289 1.261 0.148) 1.302 1.531 ( 2.486 -1.699 0.336) 3.030 1.531 ( 2.486 1.699 0.336) 3.030 1.603 ( -0.956 -1.896 -0.871) 2.295 1.603 ( -0.956 1.896 -0.871) 2.295 1.800 ( 0.559 -3.781 0.699) 3.885 1.800 ( 0.559 3.781 0.699) 3.885 1.832 ( 3.405 -6.408 -1.142) 7.346 1.832 ( 3.405 6.408 -1.142) 7.346 1.963 ( -2.098 -3.277 0.310) 3.903 1.963 ( -2.098 3.277 0.310) 3.903 2.440 ( 0.065 -2.661 -0.113) 2.664 2.440 ( 0.065 2.661 -0.113) 2.664 2.613 ( -0.633 -1.662 0.888) 1.988 2.613 ( -0.633 1.662 0.888) 1.988 2.646 ( -0.845 -2.306 -1.232) 2.748 2.646 ( -0.845 2.306 -1.232) 2.748 2.891 ( -0.172 -0.840 -1.211) 1.483 2.891 ( -0.172 0.840 -1.211) 1.483 3.063 ( -0.032 -1.173 1.635) 2.012 3.063 ( -0.032 1.173 1.635) 2.012 3.216 ( -1.173 -4.320 -0.293) 4.486 3.216 ( -1.173 4.320 -0.293) 4.486 3.293 ( 0.824 -4.087 -0.367) 4.185 3.293 ( 0.824 4.087 -0.367) 4.185 3.497 ( 0.025 -1.623 -0.451) 1.684 3.497 ( 0.025 1.623 -0.451) 1.684 3.716 ( -1.073 -3.558 -0.425) 3.740 3.716 ( -1.073 3.558 -0.425) 3.740 4.041 ( 2.007 -1.252 0.309) 2.385 4.041 ( 2.007 1.252 0.309) 2.385 4.272 ( -0.160 -1.504 1.050) 1.841 4.272 ( -0.160 1.504 1.050) 1.841 4.461 ( -0.128 -4.276 -0.457) 4.302 4.461 ( -0.128 4.276 -0.457) 4.302 4.784 ( -0.546 -1.415 -0.482) 1.592 4.784 ( -0.546 1.415 -0.482) 1.592 5.184 ( -0.067 -2.454 0.976) 2.642 5.184 ( -0.067 2.454 0.976) 2.642 5.279 ( -1.255 -1.518 -0.349) 2.000 5.279 ( -1.255 1.518 -0.349) 2.000 5.483 ( 0.714 -1.003 -0.941) 1.549 5.483 ( 0.714 1.003 -0.941) 1.549 5.808 ( 0.292 -3.847 0.519) 3.893 5.808 ( 0.292 3.847 0.519) 3.893 5.937 ( -1.229 -2.452 0.083) 2.744 5.937 ( -1.229 2.452 0.083) 2.744 6.196 ( 2.843 -2.061 -0.230) 3.519 6.196 ( 2.843 2.061 -0.230) 3.519 6.352 ( 0.161 -4.705 0.462) 4.730 6.352 ( 0.161 4.705 0.462) 4.730 6.859 ( -1.823 -1.151 -0.080) 2.157 6.859 ( -1.823 1.151 -0.080) 2.157 7.050 ( 0.542 -4.172 0.137) 4.209 7.050 ( 0.542 4.172 0.137) 4.209 10.234 ( 0.025 -0.177 -0.232) 0.293 10.234 ( 0.025 0.177 -0.232) 0.293 10.278 ( -0.327 -0.607 0.306) 0.754 10.278 ( -0.327 0.607 0.306) 0.754 10.473 ( -0.135 -1.916 -0.108) 1.924 10.473 ( -0.135 1.916 -0.108) 1.924 10.700 ( -1.180 -2.464 0.048) 2.732 10.700 ( -1.180 2.464 0.048) 2.732 11.144 ( 0.404 -0.342 -1.749) 1.827 11.144 ( 0.404 0.342 -1.749) 1.827 11.162 ( 0.009 -0.524 1.059) 1.181 11.162 ( 0.009 0.524 1.059) 1.181 11.727 ( 1.419 -3.908 1.655) 4.475 11.727 ( 1.419 3.908 1.655) 4.475 11.847 ( -0.292 -1.366 -0.933) 1.680 11.847 ( -0.292 1.366 -0.933) 1.680 ======================= Grid point 35 (13/64) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( 1.029 0.000 12.912) 12.953 0.307 ( 1.827 0.000 15.104) 15.214 0.412 ( 1.380 0.000 19.868) 19.916 0.667 ( 0.161 0.000 1.495) 1.503 0.735 ( -0.084 0.000 -0.249) 0.263 0.735 ( -0.689 0.000 0.216) 0.722 0.825 ( 2.310 0.000 -1.443) 2.724 0.860 ( 0.057 0.000 1.198) 1.200 0.921 ( -0.239 0.000 0.610) 0.655 0.931 ( -0.796 0.000 -1.067) 1.331 0.980 ( -4.190 0.000 -2.315) 4.787 0.999 ( -1.276 0.000 -2.401) 2.719 1.029 ( -0.285 0.000 0.084) 0.297 1.078 ( 2.522 0.000 0.446) 2.562 1.084 ( 1.617 0.000 -1.654) 2.313 1.107 ( 1.831 0.000 0.146) 1.837 1.160 ( 0.460 0.000 0.640) 0.788 1.194 ( -0.146 0.000 1.094) 1.104 1.226 ( 0.176 0.000 4.683) 4.687 1.248 ( 5.615 0.000 -0.507) 5.638 1.258 ( -0.052 0.000 -0.406) 0.410 1.290 ( -0.335 0.000 0.377) 0.505 1.346 ( -2.686 0.000 -1.086) 2.898 1.411 ( 0.172 0.000 -0.867) 0.884 1.412 ( 0.075 0.000 1.144) 1.146 1.461 ( -1.784 0.000 -1.190) 2.145 1.510 ( 1.495 0.000 0.533) 1.587 1.551 ( 0.026 0.000 2.404) 2.404 1.583 ( -1.368 0.000 4.194) 4.411 1.622 ( -1.904 0.000 -2.053) 2.800 1.644 ( 0.301 0.000 0.624) 0.693 1.708 ( 3.482 0.000 -2.229) 4.135 1.790 ( -0.222 0.000 -0.759) 0.791 1.850 ( -1.738 0.000 4.034) 4.392 1.996 ( 1.843 0.000 -5.429) 5.733 2.077 ( -2.417 0.000 -0.656) 2.504 2.259 ( 0.971 0.000 2.266) 2.465 2.291 ( 0.051 0.000 4.398) 4.398 2.589 ( -3.105 0.000 -5.416) 6.243 2.712 ( -3.364 0.000 -0.370) 3.385 2.716 ( -0.226 0.000 -0.497) 0.546 2.824 ( -2.307 0.000 1.903) 2.991 2.840 ( -3.420 0.000 -2.582) 4.285 2.941 ( 2.812 0.000 2.708) 3.904 2.971 ( 0.173 0.000 1.691) 1.699 3.148 ( 0.593 0.000 4.046) 4.089 3.220 ( -1.916 0.000 -4.714) 5.089 3.277 ( 0.056 0.000 -0.363) 0.367 3.292 ( -4.277 0.000 -1.070) 4.409 3.322 ( 0.050 0.000 0.214) 0.219 3.427 ( 14.995 0.000 -1.723) 15.094 3.537 ( -0.546 0.000 -1.003) 1.142 3.632 ( 0.270 0.000 0.342) 0.436 3.850 ( -1.842 0.000 -8.433) 8.632 3.954 ( -0.740 0.000 -1.181) 1.394 3.958 ( 2.317 0.000 -0.410) 2.353 4.223 ( -2.936 0.000 7.067) 7.653 4.403 ( -1.837 0.000 3.014) 3.530 4.424 ( 3.837 0.000 -1.085) 3.988 4.511 ( -3.159 0.000 2.668) 4.135 4.569 ( 2.401 0.000 3.541) 4.278 4.922 ( -2.259 0.000 -3.460) 4.132 5.162 ( 3.318 0.000 5.230) 6.194 5.219 ( -1.763 0.000 -0.536) 1.843 5.326 ( -1.754 0.000 -0.589) 1.851 5.329 ( 0.194 0.000 -2.652) 2.659 5.488 ( 1.827 0.000 -4.918) 5.246 5.504 ( 0.468 0.000 -0.755) 0.888 5.738 ( 1.725 0.000 -0.221) 1.739 5.926 ( -3.507 0.000 6.001) 6.950 5.936 ( -0.943 0.000 -2.434) 2.610 6.018 ( 2.773 0.000 2.088) 3.471 6.070 ( -5.494 0.000 2.850) 6.189 6.082 ( 0.349 0.000 -0.949) 1.012 6.348 ( 3.262 0.000 -3.456) 4.752 6.617 ( 2.262 0.000 -2.622) 3.463 6.728 ( 1.335 0.000 0.349) 1.380 6.747 ( -0.183 0.000 -2.390) 2.397 7.223 ( 5.542 0.000 1.363) 5.707 7.270 ( -0.060 0.000 -0.217) 0.225 10.210 ( 0.004 0.000 -0.153) 0.153 10.237 ( 0.216 0.000 -0.850) 0.877 10.241 ( -0.211 0.000 0.169) 0.271 10.256 ( -0.143 0.000 0.085) 0.167 10.436 ( 0.144 0.000 1.026) 1.036 10.474 ( -0.274 0.000 -0.400) 0.485 10.570 ( 0.492 0.000 1.074) 1.182 10.694 ( -0.228 0.000 -2.137) 2.149 11.069 ( -4.281 0.000 -3.143) 5.311 11.101 ( 0.096 0.000 -3.358) 3.359 11.215 ( -9.663 0.000 3.703) 10.348 11.252 ( 0.115 0.000 3.141) 3.143 11.637 ( 0.681 0.000 2.113) 2.220 11.853 ( -1.179 0.000 1.519) 1.923 11.891 ( 5.191 0.000 -3.243) 6.121 11.984 ( 16.445 0.000 0.539) 16.454 ======================= Grid point 36 (14/64) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 1.844 0.000 9.993) 10.161 0.338 ( 5.428 0.000 10.203) 11.557 0.643 ( -3.632 0.000 0.681) 3.695 0.671 ( 11.305 0.000 9.604) 14.834 0.743 ( 1.107 0.000 1.040) 1.519 0.760 ( 2.875 0.000 0.140) 2.878 0.820 ( -2.806 0.000 -0.595) 2.869 0.843 ( -4.103 0.000 -3.319) 5.277 0.858 ( 0.643 0.000 -2.006) 2.106 0.926 ( 0.223 0.000 1.103) 1.125 0.927 ( -5.028 0.000 -3.732) 6.261 0.981 ( 0.169 0.000 -0.026) 0.171 1.001 ( -2.585 0.000 -0.338) 2.607 1.014 ( -4.649 0.000 -1.239) 4.812 1.093 ( -0.295 0.000 -1.789) 1.813 1.127 ( -3.013 0.000 0.466) 3.049 1.172 ( -0.444 0.000 -0.177) 0.478 1.209 ( 1.870 0.000 2.195) 2.883 1.229 ( 2.055 0.000 0.817) 2.211 1.256 ( 1.474 0.000 5.579) 5.770 1.324 ( 0.981 0.000 -2.872) 3.035 1.332 ( 3.068 0.000 -0.681) 3.143 1.377 ( 0.059 0.000 -0.216) 0.224 1.399 ( -1.152 0.000 -1.475) 1.872 1.407 ( 2.998 0.000 3.631) 4.709 1.445 ( -0.206 0.000 -0.041) 0.210 1.531 ( 1.032 0.000 -0.391) 1.103 1.535 ( -2.618 0.000 2.242) 3.447 1.578 ( -1.542 0.000 -1.494) 2.147 1.597 ( 1.848 0.000 3.267) 3.753 1.661 ( 1.252 0.000 0.279) 1.283 1.744 ( 0.353 0.000 -1.344) 1.390 1.823 ( 3.258 0.000 -0.190) 3.264 1.905 ( 2.758 0.000 0.223) 2.767 2.000 ( -2.295 0.000 -2.740) 3.574 2.049 ( 1.348 0.000 -2.775) 3.085 2.280 ( 0.981 0.000 2.749) 2.919 2.305 ( 0.431 0.000 4.612) 4.632 2.569 ( 1.296 0.000 -5.790) 5.933 2.658 ( -1.721 0.000 -1.155) 2.072 2.692 ( -1.037 0.000 -0.203) 1.056 2.780 ( -1.885 0.000 3.250) 3.757 2.805 ( -0.305 0.000 -2.587) 2.605 2.927 ( -2.739 0.000 1.485) 3.116 2.993 ( 1.986 0.000 1.596) 2.548 3.150 ( -1.416 0.000 2.323) 2.721 3.165 ( -2.560 0.000 -3.566) 4.389 3.265 ( 1.009 0.000 -0.283) 1.048 3.269 ( -0.926 0.000 -0.393) 1.006 3.338 ( 1.921 0.000 2.458) 3.120 3.447 ( -5.044 0.000 -2.088) 5.459 3.643 ( 4.745 0.000 -3.235) 5.743 3.672 ( 3.280 0.000 0.372) 3.301 3.799 ( -1.920 0.000 -6.382) 6.665 3.948 ( 0.264 0.000 -1.576) 1.598 4.013 ( 2.407 0.000 -0.103) 2.409 4.161 ( -3.449 0.000 5.024) 6.093 4.375 ( -0.361 0.000 4.179) 4.194 4.439 ( -4.292 0.000 2.510) 4.972 4.492 ( 2.955 0.000 -0.396) 2.981 4.654 ( 5.614 0.000 3.442) 6.585 4.867 ( -2.581 0.000 -2.413) 3.533 5.166 ( -4.707 0.000 0.758) 4.768 5.194 ( -0.307 0.000 2.592) 2.610 5.339 ( 2.734 0.000 -2.971) 4.037 5.343 ( 0.858 0.000 -2.169) 2.332 5.488 ( -0.549 0.000 -2.534) 2.593 5.495 ( -0.490 0.000 -3.657) 3.690 5.781 ( 2.969 0.000 -1.680) 3.411 5.841 ( -6.626 0.000 7.467) 9.983 5.922 ( 0.779 0.000 -2.876) 2.980 5.946 ( -1.909 0.000 2.962) 3.524 6.149 ( 5.426 0.000 1.255) 5.569 6.154 ( 3.488 0.000 -1.988) 4.015 6.351 ( -1.799 0.000 -1.057) 2.086 6.673 ( 2.949 0.000 -4.373) 5.275 6.760 ( 1.622 0.000 -2.684) 3.136 6.776 ( 3.341 0.000 0.647) 3.403 7.121 ( -10.150 0.000 8.321) 13.125 7.240 ( -2.874 0.000 -0.370) 2.898 10.217 ( 0.662 0.000 -0.308) 0.730 10.236 ( -0.323 0.000 0.105) 0.339 10.240 ( 0.117 0.000 -0.675) 0.685 10.255 ( 0.088 0.000 -0.033) 0.094 10.443 ( 0.343 0.000 1.025) 1.081 10.465 ( -0.423 0.000 -0.697) 0.815 10.578 ( 0.107 0.000 1.265) 1.269 10.678 ( -0.993 0.000 -2.166) 2.383 11.014 ( 0.486 0.000 -1.902) 1.963 11.104 ( 0.641 0.000 -3.194) 3.258 11.183 ( 0.978 0.000 3.870) 3.992 11.255 ( -0.188 0.000 3.283) 3.288 11.653 ( 0.448 0.000 1.750) 1.807 11.833 ( -0.759 0.000 1.341) 1.541 11.886 ( -0.747 0.000 -3.612) 3.689 12.154 ( -0.578 0.000 -2.322) 2.393 ======================= Grid point 37 (15/64) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 13.381 0.000 -2.439) 13.601 0.460 ( 5.278 0.000 6.528) 8.395 0.541 ( -5.599 0.000 1.582) 5.818 0.743 ( -1.901 0.000 -2.652) 3.263 0.747 ( -5.595 0.000 -1.732) 5.856 0.768 ( 1.360 0.000 -0.991) 1.682 0.794 ( -0.007 0.000 0.544) 0.544 0.827 ( -3.499 0.000 -3.969) 5.291 0.840 ( -0.128 0.000 -1.484) 1.489 0.864 ( 0.928 0.000 0.537) 1.072 0.902 ( -3.150 0.000 0.413) 3.177 0.937 ( 0.659 0.000 0.171) 0.681 0.986 ( 1.245 0.000 0.980) 1.584 0.997 ( -0.127 0.000 0.438) 0.456 1.069 ( -2.155 0.000 1.329) 2.532 1.099 ( 0.626 0.000 -1.337) 1.476 1.169 ( 1.234 0.000 -3.214) 3.442 1.241 ( 0.041 0.000 1.973) 1.974 1.260 ( -0.456 0.000 0.579) 0.737 1.291 ( 1.128 0.000 3.867) 4.028 1.316 ( -3.300 0.000 -1.411) 3.589 1.334 ( 0.246 0.000 -1.681) 1.699 1.378 ( 0.705 0.000 -0.902) 1.145 1.400 ( 3.438 0.000 3.153) 4.665 1.443 ( 0.038 0.000 0.694) 0.695 1.449 ( -5.884 0.000 3.104) 6.652 1.480 ( 2.020 0.000 2.202) 2.988 1.567 ( 0.305 0.000 -0.533) 0.614 1.568 ( 1.830 0.000 -0.119) 1.834 1.617 ( -0.127 0.000 3.183) 3.185 1.693 ( 1.441 0.000 0.363) 1.486 1.744 ( -0.255 0.000 -0.391) 0.467 1.893 ( 3.717 0.000 0.856) 3.814 1.912 ( -1.462 0.000 0.455) 1.531 1.944 ( -2.175 0.000 -1.983) 2.943 2.087 ( 2.157 0.000 -1.673) 2.730 2.301 ( -0.329 0.000 2.183) 2.208 2.306 ( -0.202 0.000 4.033) 4.038 2.590 ( 1.325 0.000 -4.423) 4.617 2.651 ( 1.248 0.000 -0.207) 1.265 2.681 ( -0.626 0.000 -2.653) 2.726 2.772 ( 0.569 0.000 5.230) 5.261 2.790 ( -1.147 0.000 -4.818) 4.953 2.906 ( 1.717 0.000 1.685) 2.405 3.026 ( 1.586 0.000 -0.411) 1.638 3.089 ( -4.133 0.000 0.015) 4.133 3.131 ( -1.390 0.000 -3.037) 3.340 3.273 ( 0.665 0.000 2.859) 2.935 3.313 ( 2.984 0.000 1.159) 3.201 3.349 ( -3.404 0.000 -2.089) 3.994 3.367 ( 0.360 0.000 2.498) 2.524 3.653 ( -1.464 0.000 -1.955) 2.442 3.731 ( 1.963 0.000 -0.468) 2.018 3.800 ( 1.588 0.000 -2.627) 3.069 3.958 ( 1.077 0.000 -0.996) 1.467 4.014 ( -2.094 0.000 -1.658) 2.671 4.143 ( 1.191 0.000 6.153) 6.268 4.357 ( -3.974 0.000 1.034) 4.106 4.390 ( 0.799 0.000 2.826) 2.937 4.540 ( 1.926 0.000 0.220) 1.938 4.763 ( 3.854 0.000 1.824) 4.264 4.833 ( -0.306 0.000 -0.609) 0.682 5.069 ( -4.034 0.000 1.555) 4.323 5.170 ( -2.073 0.000 -0.376) 2.107 5.348 ( 0.519 0.000 -4.091) 4.124 5.361 ( -0.056 0.000 -5.818) 5.818 5.464 ( -2.217 0.000 -2.894) 3.646 5.475 ( -0.715 0.000 -2.540) 2.639 5.733 ( -4.039 0.000 4.468) 6.023 5.846 ( 2.820 0.000 2.504) 3.771 5.965 ( 2.684 0.000 3.552) 4.452 5.969 ( 4.076 0.000 -3.760) 5.546 6.171 ( -1.562 0.000 -1.331) 2.052 6.216 ( 1.137 0.000 3.067) 3.271 6.320 ( -0.700 0.000 -0.312) 0.766 6.717 ( 2.192 0.000 -4.674) 5.162 6.782 ( 0.103 0.000 -0.561) 0.571 6.842 ( 2.336 0.000 -0.399) 2.370 6.971 ( -5.745 0.000 7.449) 9.407 7.177 ( -2.494 0.000 -0.538) 2.552 10.229 ( -0.117 0.000 0.322) 0.343 10.232 ( 0.441 0.000 -0.462) 0.638 10.240 ( -0.065 0.000 -0.565) 0.568 10.258 ( 0.176 0.000 -0.088) 0.196 10.448 ( 0.009 0.000 0.588) 0.588 10.460 ( 0.035 0.000 -0.793) 0.793 10.578 ( -0.332 0.000 1.444) 1.482 10.661 ( -0.227 0.000 -1.624) 1.640 11.036 ( 1.570 0.000 -3.192) 3.558 11.114 ( 0.601 0.000 -3.223) 3.278 11.215 ( 1.721 0.000 4.496) 4.814 11.252 ( -0.527 0.000 3.259) 3.301 11.652 ( -0.650 0.000 0.472) 0.803 11.835 ( 0.660 0.000 2.533) 2.617 11.865 ( -1.068 0.000 -5.526) 5.629 12.095 ( -3.986 0.000 1.150) 4.149 ======================= Grid point 38 (16/64) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( -6.731 0.000 4.116) 7.890 0.537 ( -14.294 0.000 -6.572) 15.732 0.605 ( 6.361 0.000 4.108) 7.572 0.646 ( 4.323 0.000 -1.013) 4.440 0.697 ( -0.131 0.000 0.808) 0.818 0.729 ( -1.558 0.000 -3.733) 4.045 0.772 ( 1.678 0.000 -0.637) 1.795 0.857 ( 0.382 0.000 2.057) 2.092 0.866 ( 4.806 0.000 -1.939) 5.182 0.891 ( 0.427 0.000 0.940) 1.032 0.891 ( 2.049 0.000 0.581) 2.129 0.958 ( 1.535 0.000 0.964) 1.813 0.994 ( -0.202 0.000 1.163) 1.180 0.998 ( 0.439 0.000 -2.786) 2.820 1.036 ( -1.269 0.000 -0.868) 1.538 1.120 ( 1.323 0.000 1.723) 2.172 1.178 ( -2.143 0.000 -2.701) 3.448 1.205 ( -3.043 0.000 -0.370) 3.065 1.229 ( -0.415 0.000 -2.484) 2.518 1.265 ( -1.808 0.000 0.273) 1.828 1.288 ( -1.644 0.000 3.485) 3.854 1.343 ( 0.887 0.000 -1.368) 1.630 1.361 ( -2.172 0.000 0.642) 2.265 1.398 ( 0.573 0.000 0.662) 0.876 1.449 ( 0.311 0.000 1.015) 1.062 1.484 ( -1.018 0.000 -0.680) 1.224 1.488 ( 3.677 0.000 4.732) 5.993 1.584 ( 1.520 0.000 0.170) 1.530 1.589 ( -1.343 0.000 3.027) 3.312 1.605 ( -0.206 0.000 1.908) 1.920 1.693 ( -1.543 0.000 1.066) 1.875 1.730 ( -1.063 0.000 -1.592) 1.914 1.868 ( -2.815 0.000 0.267) 2.828 1.933 ( 1.282 0.000 -3.194) 3.442 1.958 ( 2.292 0.000 0.228) 2.304 2.118 ( 0.949 0.000 -0.092) 0.954 2.269 ( -2.139 0.000 1.691) 2.726 2.308 ( -0.705 0.000 3.058) 3.139 2.611 ( 1.520 0.000 -2.523) 2.945 2.674 ( 1.059 0.000 -0.358) 1.118 2.702 ( 3.663 0.000 1.221) 3.861 2.764 ( -0.588 0.000 -4.000) 4.043 2.799 ( 0.790 0.000 6.561) 6.609 2.983 ( 3.699 0.000 -4.424) 5.767 3.004 ( -3.735 0.000 -2.180) 4.325 3.071 ( 2.422 0.000 0.194) 2.430 3.083 ( -1.564 0.000 2.687) 3.109 3.282 ( -1.817 0.000 -2.815) 3.350 3.284 ( 0.081 0.000 3.988) 3.989 3.354 ( -1.919 0.000 1.020) 2.173 3.410 ( 4.825 0.000 0.803) 4.891 3.607 ( -3.988 0.000 -2.532) 4.724 3.724 ( -2.431 0.000 -0.479) 2.478 3.829 ( 2.028 0.000 -1.074) 2.295 3.972 ( -1.376 0.000 -3.973) 4.205 3.982 ( 0.793 0.000 -0.171) 0.811 4.193 ( 2.485 0.000 8.441) 8.799 4.312 ( -0.087 0.000 -1.215) 1.218 4.396 ( -0.617 0.000 2.622) 2.693 4.564 ( 0.351 0.000 1.070) 1.126 4.741 ( -6.041 0.000 0.337) 6.050 4.864 ( 3.375 0.000 0.825) 3.474 5.084 ( 5.211 0.000 2.886) 5.957 5.121 ( -2.554 0.000 -1.502) 2.962 5.345 ( -0.083 0.000 -7.385) 7.385 5.370 ( 2.316 0.000 -5.661) 6.116 5.410 ( -2.412 0.000 -2.977) 3.832 5.451 ( -1.391 0.000 -1.915) 2.366 5.696 ( -0.586 0.000 3.167) 3.221 5.894 ( 1.902 0.000 4.889) 5.246 6.016 ( 0.816 0.000 4.408) 4.482 6.025 ( 0.136 0.000 -2.448) 2.452 6.140 ( 0.852 0.000 -2.574) 2.712 6.218 ( -0.810 0.000 3.734) 3.821 6.312 ( -0.575 0.000 -1.875) 1.961 6.717 ( -3.202 0.000 -3.549) 4.780 6.765 ( -0.016 0.000 -0.891) 0.891 6.822 ( -4.066 0.000 -1.356) 4.287 6.935 ( 0.944 0.000 6.749) 6.815 7.181 ( 2.775 0.000 -0.381) 2.801 10.222 ( -0.411 0.000 0.016) 0.412 10.237 ( -0.097 0.000 -0.700) 0.707 10.241 ( 0.319 0.000 -0.016) 0.319 10.260 ( 0.033 0.000 0.021) 0.040 10.443 ( -0.458 0.000 0.340) 0.571 10.465 ( 0.510 0.000 -0.549) 0.749 10.571 ( -0.479 0.000 1.243) 1.332 10.668 ( 1.037 0.000 -1.276) 1.644 11.061 ( 1.395 0.000 -2.894) 3.213 11.116 ( 0.046 0.000 -3.423) 3.424 11.246 ( -0.411 0.000 3.123) 3.150 11.266 ( 3.171 0.000 6.369) 7.115 11.636 ( -0.798 0.000 0.379) 0.883 11.820 ( -3.106 0.000 -8.337) 8.897 11.855 ( 0.804 0.000 3.104) 3.207 12.021 ( -3.663 0.000 0.913) 3.775 ======================= Grid point 39 (17/64) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.247 ( -10.937 0.000 1.558) 11.047 0.286 ( -5.359 0.000 8.566) 10.104 0.553 ( -8.149 0.000 13.507) 15.775 0.666 ( -0.276 0.000 0.566) 0.630 0.734 ( 1.933 0.000 1.462) 2.423 0.777 ( -0.641 0.000 -3.385) 3.445 0.814 ( 2.085 0.000 0.013) 2.085 0.815 ( -1.949 0.000 1.889) 2.715 0.931 ( -0.188 0.000 0.355) 0.401 0.932 ( 2.658 0.000 -1.179) 2.907 0.972 ( 4.458 0.000 0.382) 4.475 0.982 ( 3.071 0.000 -1.537) 3.434 1.017 ( 3.867 0.000 0.562) 3.908 1.025 ( 0.892 0.000 -0.821) 1.212 1.040 ( 2.508 0.000 -2.430) 3.492 1.106 ( -3.264 0.000 -2.278) 3.981 1.147 ( 0.869 0.000 1.524) 1.755 1.173 ( 0.371 0.000 0.048) 0.374 1.206 ( -1.494 0.000 -2.654) 3.045 1.251 ( 0.092 0.000 -0.245) 0.261 1.254 ( -2.182 0.000 4.177) 4.712 1.334 ( -2.239 0.000 -0.799) 2.377 1.370 ( 1.556 0.000 -0.969) 1.833 1.400 ( 0.543 0.000 -0.767) 0.940 1.434 ( -2.153 0.000 0.820) 2.304 1.479 ( 0.566 0.000 -0.906) 1.069 1.527 ( -3.810 0.000 2.584) 4.604 1.537 ( 1.079 0.000 3.351) 3.520 1.606 ( -0.896 0.000 2.874) 3.010 1.622 ( 1.945 0.000 0.438) 1.994 1.657 ( -1.702 0.000 1.097) 2.025 1.699 ( -1.567 0.000 -4.495) 4.760 1.816 ( -2.179 0.000 -0.191) 2.187 1.947 ( -3.996 0.000 -2.152) 4.538 1.965 ( 2.085 0.000 -4.909) 5.334 2.115 ( -1.302 0.000 0.271) 1.330 2.246 ( -0.146 0.000 1.253) 1.261 2.295 ( -0.837 0.000 3.904) 3.993 2.638 ( 0.326 0.000 -3.238) 3.254 2.711 ( 0.706 0.000 -2.276) 2.383 2.760 ( -0.117 0.000 0.878) 0.886 2.805 ( 7.578 0.000 5.424) 9.319 2.817 ( 1.701 0.000 5.124) 5.399 2.935 ( -2.758 0.000 -0.364) 2.782 2.943 ( -3.528 0.000 -5.987) 6.949 3.119 ( 2.006 0.000 2.341) 3.083 3.173 ( 7.191 0.000 3.639) 8.059 3.257 ( -0.097 0.000 -2.651) 2.653 3.301 ( 1.392 0.000 1.851) 2.316 3.305 ( -2.596 0.000 -0.365) 2.622 3.451 ( -6.667 0.000 -5.390) 8.573 3.516 ( 1.006 0.000 0.809) 1.292 3.663 ( -3.064 0.000 0.109) 3.066 3.873 ( 1.680 0.000 -2.716) 3.193 3.945 ( -0.845 0.000 -4.872) 4.945 3.976 ( -1.119 0.000 -0.474) 1.215 4.241 ( 0.452 0.000 9.540) 9.551 4.350 ( 3.644 0.000 -1.828) 4.076 4.393 ( 0.775 0.000 3.850) 3.927 4.554 ( -1.523 0.000 2.042) 2.548 4.604 ( -6.309 0.000 0.704) 6.348 4.935 ( 2.235 0.000 -0.790) 2.371 5.095 ( 1.110 0.000 1.415) 1.798 5.207 ( 5.001 0.000 -0.338) 5.012 5.348 ( 0.368 0.000 -1.800) 1.837 5.351 ( -1.914 0.000 -2.960) 3.525 5.437 ( 1.909 0.000 -1.527) 2.445 5.438 ( 3.725 0.000 -5.911) 6.987 5.707 ( 1.250 0.000 1.507) 1.958 5.938 ( 2.295 0.000 3.152) 3.899 5.977 ( -3.123 0.000 -2.021) 3.720 5.995 ( -2.981 0.000 6.609) 7.250 6.169 ( -1.633 0.000 -2.432) 2.929 6.185 ( -4.030 0.000 3.684) 5.460 6.289 ( 0.484 0.000 -6.673) 6.690 6.635 ( -3.406 0.000 -3.000) 4.539 6.740 ( -2.814 0.000 -1.106) 3.024 6.762 ( -0.556 0.000 -1.761) 1.846 7.019 ( 7.454 0.000 10.531) 12.902 7.243 ( 2.752 0.000 -0.242) 2.762 10.214 ( -0.327 0.000 -0.119) 0.347 10.236 ( 0.060 0.000 -0.842) 0.844 10.244 ( -0.028 0.000 0.150) 0.153 10.259 ( -0.158 0.000 0.089) 0.181 10.436 ( -0.270 0.000 0.650) 0.704 10.474 ( 0.325 0.000 -0.250) 0.410 10.565 ( -0.157 0.000 1.064) 1.075 10.689 ( 0.976 0.000 -1.622) 1.893 11.082 ( 1.093 0.000 -2.559) 2.782 11.108 ( -0.315 0.000 -3.504) 3.519 11.246 ( -0.003 0.000 3.045) 3.045 11.358 ( 4.014 0.000 4.311) 5.890 11.628 ( -0.067 0.000 1.320) 1.322 11.716 ( -4.655 0.000 -5.219) 6.993 11.865 ( -0.231 0.000 2.547) 2.558 11.960 ( -2.514 0.000 0.315) 2.533 ======================= Grid point 40 (18/64) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 1.782 5.727 11.157) 12.667 0.393 ( 3.560 8.772 9.701) 13.555 0.531 ( -1.800 11.769 11.206) 16.350 0.670 ( 0.733 0.030 1.192) 1.400 0.693 ( -0.648 -2.410 0.677) 2.586 0.747 ( -0.085 -0.316 0.207) 0.387 0.827 ( 1.042 0.601 -1.315) 1.782 0.886 ( 0.571 1.419 -0.330) 1.565 0.911 ( -1.158 -0.283 1.551) 1.956 0.954 ( -0.053 -0.470 -0.697) 0.842 0.959 ( -1.601 1.786 -1.327) 2.741 1.020 ( -1.705 1.248 -0.936) 2.311 1.040 ( 0.657 0.356 -2.210) 2.333 1.070 ( 3.586 -0.763 0.447) 3.694 1.112 ( -0.951 1.598 -0.882) 2.058 1.125 ( 0.283 2.775 -1.711) 3.273 1.155 ( 0.679 -0.891 0.882) 1.426 1.182 ( 0.119 -0.411 1.512) 1.571 1.215 ( -1.653 -0.675 2.449) 3.031 1.243 ( 4.503 -0.950 -0.306) 4.613 1.272 ( 1.063 0.981 1.363) 1.987 1.301 ( 0.183 1.625 0.412) 1.686 1.361 ( -0.048 0.905 -1.366) 1.639 1.385 ( -0.285 -1.428 -0.905) 1.715 1.419 ( -0.453 -0.885 1.104) 1.486 1.476 ( -1.022 0.307 -2.114) 2.368 1.515 ( 1.246 -2.242 1.733) 3.096 1.534 ( -1.240 -0.543 0.526) 1.452 1.567 ( -0.553 1.478 1.980) 2.533 1.594 ( -0.901 -1.343 -0.137) 1.624 1.690 ( 0.157 0.864 -0.815) 1.198 1.706 ( 1.046 0.655 0.374) 1.289 1.772 ( 0.074 -1.025 -1.323) 1.675 1.857 ( -0.314 1.353 3.192) 3.482 1.999 ( 1.740 -0.513 -4.438) 4.795 2.098 ( -2.253 -0.092 -0.283) 2.273 2.254 ( 1.189 0.225 0.721) 1.408 2.424 ( 1.541 7.531 -3.967) 8.651 2.575 ( -2.401 -1.484 -5.265) 5.974 2.659 ( -0.937 -2.759 -0.537) 2.963 2.768 ( -1.950 2.267 -0.217) 2.998 2.796 ( -3.470 -1.061 -0.084) 3.629 2.863 ( -2.434 0.444 -2.459) 3.489 2.940 ( -0.627 -1.714 3.731) 4.153 2.957 ( 3.240 1.101 1.793) 3.863 3.124 ( -0.205 -0.464 3.839) 3.873 3.210 ( 1.023 -3.322 -1.662) 3.852 3.246 ( -1.376 -1.823 -3.643) 4.300 3.277 ( 1.366 0.211 -1.080) 1.754 3.356 ( 1.908 1.766 -0.427) 2.635 3.422 ( 0.557 0.033 0.032) 0.559 3.543 ( 1.390 -0.068 -2.053) 2.480 3.651 ( 0.200 1.010 -0.081) 1.033 3.853 ( -2.715 0.135 -6.330) 6.889 3.943 ( 0.054 -0.226 -1.541) 1.558 3.978 ( 2.508 0.909 -0.543) 2.722 4.200 ( -1.596 -1.661 5.131) 5.624 4.357 ( 1.111 -2.486 3.215) 4.213 4.453 ( -0.004 1.277 -1.043) 1.649 4.515 ( -2.368 -0.306 1.992) 3.110 4.613 ( 1.728 3.969 2.961) 5.245 4.936 ( -0.835 -0.384 -3.091) 3.225 5.175 ( 2.126 1.564 1.168) 2.886 5.221 ( -1.782 0.372 -0.361) 1.855 5.283 ( 1.115 -1.617 -1.147) 2.275 5.366 ( 0.147 1.295 0.503) 1.397 5.397 ( 1.438 -3.227 -0.357) 3.551 5.565 ( -2.390 1.506 -0.465) 2.863 5.773 ( 0.448 0.852 -3.251) 3.391 5.896 ( -1.737 -2.472 -1.463) 3.357 5.945 ( -1.275 -0.725 3.430) 3.731 5.982 ( 0.332 -0.919 0.255) 1.010 6.058 ( -0.323 -0.377 -0.272) 0.566 6.128 ( 0.953 2.950 -0.774) 3.195 6.301 ( 0.370 -4.270 -2.097) 4.772 6.526 ( 5.200 -5.790 1.769) 7.981 6.768 ( -0.121 2.977 -1.108) 3.178 6.817 ( -0.864 5.622 -0.913) 5.761 7.102 ( 1.408 -6.610 8.089) 10.541 7.241 ( 0.074 -3.124 -0.191) 3.130 10.215 ( -0.091 0.485 -0.110) 0.505 10.239 ( 0.062 0.127 -0.354) 0.381 10.250 ( -0.091 0.739 -0.251) 0.785 10.287 ( 0.077 0.971 -0.482) 1.087 10.470 ( -0.025 -0.173 -0.417) 0.452 10.544 ( -0.565 1.385 -0.975) 1.785 10.577 ( 1.698 5.851 -5.888) 8.473 10.708 ( -0.300 1.172 -2.505) 2.782 11.062 ( -3.436 -0.451 -1.901) 3.953 11.101 ( -0.108 -0.169 -3.952) 3.957 11.200 ( -4.454 -0.646 4.927) 6.673 11.255 ( -1.164 -0.135 2.833) 3.066 11.641 ( 0.648 0.362 1.914) 2.053 11.813 ( 9.734 -6.220 2.871) 11.903 11.854 ( 0.009 -0.509 1.386) 1.476 11.923 ( 1.046 -2.256 1.567) 2.939 ======================= Grid point 41 (19/64) ======================= q-point: ( 0.20 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( -2.263 7.363 9.758) 12.432 0.470 ( 3.997 9.799 4.381) 11.453 0.636 ( -0.586 -0.293 1.730) 1.849 0.686 ( 2.052 -3.302 0.958) 4.004 0.705 ( 3.701 2.208 5.076) 6.659 0.777 ( 2.270 0.045 0.746) 2.390 0.826 ( -0.502 0.049 -1.867) 1.934 0.848 ( -2.537 1.222 -0.988) 2.985 0.894 ( -0.777 3.541 -1.519) 3.930 0.921 ( -2.221 -0.282 -0.289) 2.257 0.934 ( -4.111 1.223 -0.751) 4.355 0.975 ( -0.527 0.829 -0.041) 0.983 1.025 ( -1.647 1.439 -0.802) 2.330 1.037 ( -3.688 1.949 -1.060) 4.304 1.103 ( -1.851 0.091 0.141) 1.859 1.122 ( -0.933 0.495 -0.613) 1.221 1.162 ( -1.049 -0.955 -0.649) 1.561 1.190 ( 2.649 -2.716 2.434) 4.508 1.217 ( 1.889 1.228 2.474) 3.346 1.290 ( 0.391 -0.304 2.209) 2.263 1.314 ( 2.280 -0.139 -0.043) 2.284 1.327 ( 1.846 1.031 -1.216) 2.439 1.379 ( -0.529 -0.668 -0.539) 1.009 1.400 ( 1.343 0.240 2.095) 2.499 1.431 ( 2.876 0.728 0.271) 2.979 1.440 ( -1.960 0.051 -2.071) 2.851 1.520 ( -0.043 -0.982 -0.900) 1.333 1.542 ( -1.286 1.265 1.720) 2.493 1.564 ( 1.788 -0.325 1.284) 2.225 1.593 ( 0.518 -0.898 1.458) 1.789 1.693 ( -0.003 0.192 -0.445) 0.484 1.721 ( 1.109 0.066 -0.021) 1.111 1.805 ( 2.752 -1.157 -0.362) 3.007 1.891 ( 2.068 0.002 2.463) 3.216 2.024 ( -0.292 0.993 -3.627) 3.771 2.047 ( -1.306 -0.843 -0.735) 1.720 2.291 ( 2.218 1.173 1.685) 3.023 2.420 ( -1.725 7.825 -1.086) 8.086 2.547 ( 0.594 -1.983 -5.296) 5.686 2.642 ( -0.470 -1.200 -1.968) 2.352 2.705 ( -2.731 0.411 -0.329) 2.781 2.759 ( -0.694 -0.539 2.943) 3.072 2.816 ( -1.996 -0.126 -4.101) 4.562 2.913 ( -1.383 -0.967 3.702) 4.069 3.009 ( 2.001 1.552 0.918) 2.694 3.113 ( -0.762 -1.547 0.211) 1.737 3.183 ( -2.748 -0.834 0.163) 2.876 3.220 ( -0.711 -0.586 -2.748) 2.898 3.314 ( 1.000 0.912 -0.079) 1.356 3.370 ( 1.014 3.362 0.039) 3.512 3.424 ( -1.742 -3.475 -1.473) 4.157 3.580 ( 2.341 -2.716 -0.005) 3.586 3.671 ( 1.514 -1.188 -0.698) 2.047 3.810 ( -0.649 0.950 -3.511) 3.694 3.942 ( 0.101 -0.379 -1.485) 1.536 4.030 ( 1.830 0.730 -0.769) 2.115 4.168 ( -1.290 1.349 3.585) 4.042 4.367 ( -0.143 -0.781 4.165) 4.240 4.449 ( -4.413 0.302 1.992) 4.851 4.481 ( 2.720 -0.891 -2.045) 3.518 4.680 ( 4.466 2.341 3.016) 5.876 4.879 ( -3.627 0.152 -2.962) 4.686 5.169 ( -1.984 -0.245 0.405) 2.039 5.185 ( -2.502 0.517 1.913) 3.192 5.318 ( 1.271 -0.344 0.070) 1.318 5.372 ( 1.623 1.311 -3.262) 3.872 5.426 ( 0.775 -5.180 -1.417) 5.426 5.519 ( -1.953 1.657 -1.925) 3.203 5.782 ( 0.503 -0.906 -0.997) 1.438 5.859 ( -2.862 2.377 3.227) 4.925 5.907 ( -0.533 -1.761 -1.281) 2.242 5.961 ( -0.493 1.602 2.183) 2.753 6.105 ( 3.875 -3.273 0.978) 5.166 6.182 ( 1.570 2.395 -1.626) 3.293 6.305 ( 1.570 -4.567 -1.374) 5.021 6.645 ( 3.982 -5.515 -3.572) 7.683 6.773 ( 0.013 3.282 -1.039) 3.443 6.820 ( 2.524 4.209 1.007) 5.010 7.052 ( -5.974 -4.634 8.263) 11.200 7.215 ( -2.525 -2.659 -0.361) 3.684 10.218 ( 0.396 0.176 -0.347) 0.555 10.235 ( -0.456 0.009 -0.059) 0.460 10.249 ( 0.040 0.823 -0.374) 0.905 10.281 ( -0.490 1.318 -0.275) 1.433 10.460 ( -0.873 0.112 -0.190) 0.900 10.512 ( -1.662 3.775 -1.417) 4.361 10.578 ( -0.121 1.383 -0.223) 1.406 10.692 ( -0.885 1.241 -2.473) 2.904 11.021 ( 0.449 0.780 -1.985) 2.179 11.100 ( 0.530 -0.454 -3.312) 3.385 11.187 ( 0.854 0.512 3.884) 4.009 11.252 ( -0.248 -0.366 3.356) 3.385 11.657 ( 0.504 0.491 1.562) 1.713 11.830 ( -0.655 -0.354 1.201) 1.413 11.870 ( -0.646 -1.746 -3.436) 3.908 12.031 ( 3.276 -9.583 2.827) 10.515 ======================= Grid point 42 (20/64) ======================= q-point: ( 0.40 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 8.569 -0.023 2.395) 8.897 0.556 ( 4.318 4.937 1.121) 6.654 0.570 ( -4.395 2.482 0.903) 5.127 0.699 ( -1.574 -1.892 -0.802) 2.588 0.734 ( 1.059 -1.691 -0.734) 2.126 0.791 ( -1.961 -0.113 0.311) 1.988 0.805 ( -3.170 1.814 -3.933) 5.367 0.834 ( 0.819 -0.061 -0.080) 0.825 0.845 ( -2.727 1.795 -3.085) 4.491 0.868 ( -2.014 1.339 0.943) 2.596 0.904 ( -0.006 0.541 -0.022) 0.542 0.938 ( -1.007 0.209 -0.347) 1.085 0.989 ( -0.943 0.595 -0.364) 1.173 1.022 ( 0.554 1.555 0.966) 1.913 1.072 ( -1.095 0.953 1.533) 2.111 1.110 ( -0.425 0.649 -1.323) 1.534 1.152 ( 0.857 -1.641 -0.609) 1.949 1.229 ( -0.177 -0.342 1.596) 1.642 1.268 ( 1.521 -1.269 2.735) 3.377 1.282 ( 0.168 -0.372 -0.855) 0.947 1.322 ( -2.046 0.482 -1.122) 2.383 1.339 ( 0.476 0.728 -0.635) 1.077 1.378 ( -1.337 0.253 -2.155) 2.549 1.418 ( 1.182 0.290 2.461) 2.745 1.430 ( 0.601 -0.266 2.877) 2.951 1.462 ( -0.546 2.399 1.359) 2.811 1.489 ( 0.172 1.242 0.294) 1.287 1.557 ( 1.054 -1.444 0.360) 1.823 1.573 ( 0.122 0.191 -0.091) 0.244 1.625 ( 0.786 0.786 3.622) 3.789 1.695 ( 0.800 -1.958 -0.623) 2.205 1.746 ( 0.583 2.454 0.443) 2.560 1.859 ( 2.556 -2.516 0.401) 3.609 1.906 ( -0.994 0.084 2.375) 2.576 1.971 ( -2.194 2.060 -1.497) 3.361 2.070 ( 1.938 -2.076 -1.483) 3.204 2.332 ( 1.316 2.678 1.482) 3.331 2.377 ( -2.307 5.718 0.977) 6.243 2.566 ( 1.586 -2.114 -3.961) 4.762 2.636 ( 0.439 -1.567 -0.575) 1.726 2.683 ( -0.579 -0.473 -1.834) 1.981 2.753 ( -0.330 -1.785 2.669) 3.228 2.795 ( 0.800 1.218 -3.074) 3.402 2.919 ( 1.915 0.562 2.894) 3.515 3.041 ( 1.504 1.202 0.246) 1.941 3.080 ( -2.867 -0.540 -1.539) 3.299 3.123 ( -2.981 -0.717 -2.479) 3.942 3.232 ( 1.048 -2.245 2.154) 3.283 3.317 ( -0.668 -0.848 -0.674) 1.273 3.368 ( -0.550 2.062 -1.246) 2.471 3.408 ( 1.047 2.627 1.134) 3.047 3.605 ( -0.167 -4.161 0.431) 4.187 3.695 ( 1.083 -2.150 -0.611) 2.484 3.819 ( 0.901 0.600 0.009) 1.082 3.949 ( 1.124 -0.228 -1.742) 2.086 4.023 ( -1.717 0.600 -1.884) 2.619 4.184 ( 1.725 3.869 4.207) 5.970 4.363 ( -3.855 0.464 0.450) 3.908 4.371 ( -0.120 -1.795 3.023) 3.517 4.530 ( 2.075 -1.196 -1.091) 2.632 4.771 ( 3.432 0.585 1.680) 3.866 4.827 ( -0.938 -0.903 -1.104) 1.707 5.099 ( -3.399 2.731 0.816) 4.436 5.159 ( -1.259 -0.905 0.440) 1.612 5.315 ( -0.956 -1.044 -1.944) 2.404 5.382 ( -0.565 -1.312 -4.871) 5.076 5.436 ( 0.339 -0.892 -2.301) 2.491 5.486 ( -0.560 0.575 -3.462) 3.554 5.742 ( -3.416 0.790 3.312) 4.823 5.857 ( 1.725 1.380 2.494) 3.332 5.928 ( 2.374 -2.438 -0.198) 3.409 5.998 ( 2.781 1.732 1.259) 3.510 6.136 ( -0.372 -4.265 0.745) 4.346 6.198 ( 0.332 1.275 0.495) 1.408 6.339 ( 1.016 -0.359 -1.371) 1.744 6.666 ( -0.248 -6.584 -3.681) 7.547 6.777 ( 0.502 1.201 0.700) 1.478 6.880 ( 1.668 3.572 -0.557) 3.981 6.956 ( -3.562 -1.023 6.303) 7.312 7.162 ( -2.057 -1.736 -0.675) 2.775 10.226 ( -0.330 -0.140 -0.231) 0.427 10.229 ( 0.691 -0.125 -0.374) 0.795 10.249 ( -0.010 0.788 -0.196) 0.812 10.272 ( -0.354 1.027 -0.076) 1.089 10.443 ( -0.688 0.050 0.406) 0.800 10.498 ( 0.148 2.665 -1.174) 2.916 10.575 ( -0.380 0.311 1.306) 1.395 10.677 ( -0.192 1.309 -1.931) 2.341 11.041 ( 1.501 0.610 -3.155) 3.546 11.109 ( 0.629 -0.515 -3.219) 3.320 11.216 ( 1.504 0.178 4.404) 4.657 11.249 ( -0.535 -0.349 3.391) 3.450 11.656 ( -0.653 0.534 0.238) 0.877 11.829 ( 0.045 -1.001 0.478) 1.110 11.849 ( -0.762 -1.100 -3.099) 3.375 12.037 ( -1.808 -5.411 2.245) 6.131 ======================= Grid point 43 (21/64) ======================= q-point: (-0.40 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -7.274 2.165 1.962) 7.839 0.536 ( -0.790 -1.873 0.947) 2.243 0.623 ( 0.921 3.150 -4.002) 5.175 0.649 ( -1.204 1.188 -0.140) 1.698 0.689 ( 0.679 -0.967 -0.206) 1.199 0.743 ( -1.743 2.026 -1.394) 3.015 0.787 ( 1.592 1.401 -0.945) 2.322 0.843 ( 2.808 -1.434 -1.660) 3.563 0.848 ( 0.722 -0.055 0.666) 0.984 0.887 ( 1.828 0.592 1.721) 2.579 0.918 ( 1.426 1.098 -0.190) 1.810 0.951 ( 2.265 -0.729 1.075) 2.611 0.984 ( 0.504 0.545 -0.950) 1.206 1.035 ( 0.606 1.661 -0.278) 1.790 1.052 ( -1.056 1.851 -0.388) 2.166 1.109 ( 0.399 -0.981 0.010) 1.059 1.162 ( -1.058 -1.684 0.721) 2.115 1.199 ( -2.213 0.828 -0.864) 2.516 1.259 ( -1.172 -0.324 -0.453) 1.298 1.274 ( -2.068 1.393 -0.829) 2.627 1.287 ( -0.130 -0.136 1.882) 1.891 1.342 ( -0.912 0.618 -1.290) 1.697 1.358 ( -2.238 -0.270 0.584) 2.328 1.386 ( 1.650 -0.510 -0.387) 1.770 1.457 ( 0.702 0.332 0.733) 1.068 1.480 ( -1.378 0.015 0.056) 1.380 1.515 ( 2.333 2.293 3.367) 4.695 1.555 ( -0.558 -1.925 0.421) 2.047 1.597 ( 1.547 -0.516 1.002) 1.914 1.614 ( -1.765 1.166 3.307) 3.926 1.708 ( -0.079 -1.016 -0.659) 1.214 1.731 ( -1.929 2.874 0.522) 3.501 1.853 ( -2.766 -1.362 0.060) 3.084 1.909 ( 0.738 -2.006 1.303) 2.503 1.960 ( 0.854 1.216 -2.007) 2.498 2.104 ( 1.580 -2.046 0.089) 2.587 2.305 ( -3.181 2.991 0.109) 4.368 2.373 ( 1.106 5.413 0.620) 5.559 2.590 ( 1.302 -2.344 -2.867) 3.925 2.654 ( 0.987 -1.456 -0.496) 1.828 2.696 ( 3.158 -0.770 1.721) 3.678 2.762 ( 1.108 -1.686 1.378) 2.443 2.819 ( 1.231 3.329 0.775) 3.633 2.982 ( 1.760 -0.293 -3.084) 3.563 3.018 ( -2.624 0.900 -1.536) 3.171 3.053 ( -2.171 -3.354 2.309) 4.615 3.082 ( 2.659 1.349 -0.157) 2.986 3.228 ( -0.979 -1.294 -0.493) 1.696 3.310 ( -0.095 -0.550 -0.337) 0.652 3.373 ( -0.016 1.669 0.313) 1.698 3.449 ( 3.225 3.119 0.433) 4.507 3.570 ( -3.851 -3.089 -0.183) 4.940 3.694 ( -1.295 -2.094 -0.320) 2.483 3.842 ( 2.047 0.344 1.214) 2.405 3.961 ( -0.509 -0.542 -2.334) 2.450 3.995 ( -0.509 1.075 -3.290) 3.498 4.205 ( -0.442 1.244 5.405) 5.563 4.333 ( 0.821 1.658 0.153) 1.856 4.371 ( 0.336 -2.002 1.868) 2.759 4.554 ( 0.411 -1.211 0.059) 1.280 4.759 ( -4.743 1.569 0.759) 5.053 4.853 ( 3.214 -1.217 0.465) 3.468 5.090 ( 1.800 0.418 0.127) 1.852 5.140 ( 0.583 1.945 0.601) 2.117 5.296 ( -0.453 -2.213 -3.856) 4.469 5.348 ( -1.939 -2.846 -3.355) 4.808 5.439 ( 0.550 2.648 -4.328) 5.103 5.493 ( 1.798 2.282 -3.282) 4.383 5.704 ( -0.685 0.983 2.587) 2.851 5.891 ( 1.238 -0.018 4.106) 4.288 5.979 ( 1.440 -4.230 -1.326) 4.661 6.018 ( -0.711 -0.322 4.649) 4.714 6.146 ( 1.252 0.065 -1.544) 1.989 6.174 ( -2.606 -1.483 2.351) 3.810 6.326 ( -1.953 -0.260 -2.979) 3.572 6.634 ( -3.046 -7.488 -2.509) 8.464 6.794 ( 1.182 2.633 -0.374) 2.910 6.850 ( -3.033 2.282 -0.105) 3.797 6.949 ( 0.980 1.317 5.060) 5.320 7.164 ( 2.240 -1.891 -0.594) 2.991 10.221 ( -0.127 0.021 -0.297) 0.323 10.240 ( 0.245 -0.084 -0.180) 0.315 10.248 ( -0.007 0.882 -0.195) 0.903 10.269 ( 0.175 0.647 -0.132) 0.683 10.439 ( 0.303 0.031 0.314) 0.437 10.506 ( 0.738 3.226 -1.352) 3.575 10.565 ( -0.714 -0.126 1.433) 1.606 10.684 ( 1.033 1.262 -1.626) 2.303 11.065 ( 1.311 0.458 -2.909) 3.223 11.113 ( 0.145 -0.374 -3.434) 3.458 11.241 ( -0.507 -0.440 3.601) 3.663 11.260 ( 2.357 -0.588 5.718) 6.213 11.640 ( -0.850 0.409 0.177) 0.960 11.792 ( -3.273 -2.686 -6.665) 7.896 11.856 ( 0.628 0.082 2.746) 2.819 11.992 ( -2.656 -2.773 1.420) 4.094 ======================= Grid point 44 (22/64) ======================= q-point: (-0.20 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( -5.257 5.240 3.200) 8.083 0.418 ( -5.219 8.189 6.651) 11.770 0.606 ( -2.133 3.835 4.816) 6.516 0.680 ( -1.790 2.091 2.141) 3.488 0.707 ( -0.636 -1.865 2.027) 2.827 0.751 ( 1.747 -0.755 -1.310) 2.310 0.806 ( 0.359 0.401 0.018) 0.538 0.857 ( 1.131 2.251 0.909) 2.678 0.919 ( 3.857 -1.403 -1.052) 4.237 0.929 ( -0.398 0.008 0.282) 0.487 0.952 ( 4.114 -1.762 -1.600) 4.752 1.000 ( 1.501 2.335 0.351) 2.798 1.003 ( 1.878 -1.189 -0.785) 2.357 1.044 ( 1.056 1.685 -1.023) 2.236 1.080 ( 3.662 2.457 -1.266) 4.588 1.108 ( -0.067 -0.015 -1.052) 1.054 1.137 ( -0.450 -0.655 -0.233) 0.828 1.172 ( 0.172 1.313 1.899) 2.315 1.221 ( -2.020 0.329 -1.720) 2.673 1.248 ( -1.559 -0.445 2.027) 2.596 1.274 ( -1.176 1.353 1.118) 2.113 1.326 ( -1.163 -0.363 -0.200) 1.235 1.351 ( 1.080 -0.597 -1.852) 2.225 1.404 ( -0.012 -0.448 -1.113) 1.199 1.437 ( -2.147 0.114 0.907) 2.334 1.475 ( 0.678 -0.677 -0.302) 1.005 1.520 ( -1.009 -2.186 1.502) 2.837 1.561 ( -1.377 2.530 2.724) 3.964 1.570 ( -0.642 -1.001 1.925) 2.263 1.620 ( -0.455 -0.310 0.520) 0.757 1.693 ( -0.816 -0.706 -1.473) 1.826 1.698 ( -0.659 2.856 0.127) 2.934 1.800 ( -2.349 -1.255 -0.770) 2.772 1.895 ( -2.412 -1.587 1.550) 3.277 1.977 ( 1.183 0.143 -4.002) 4.176 2.122 ( -0.116 -1.437 0.680) 1.594 2.254 ( -1.491 1.564 -0.077) 2.163 2.397 ( 1.415 6.709 -1.955) 7.130 2.606 ( 0.268 -3.118 -3.427) 4.641 2.669 ( 0.173 -2.530 -0.794) 2.657 2.785 ( 1.719 -1.092 5.024) 5.421 2.806 ( 3.243 -0.127 1.156) 3.446 2.846 ( 4.205 4.833 0.986) 6.482 2.927 ( -4.003 -0.157 -2.028) 4.490 2.951 ( -2.127 -0.552 -2.486) 3.318 3.100 ( 1.579 -2.164 4.950) 5.628 3.154 ( 4.715 -1.709 0.158) 5.018 3.232 ( 2.028 1.052 -3.317) 4.027 3.292 ( -1.534 -0.841 -0.877) 1.957 3.362 ( -1.319 1.040 -1.163) 2.043 3.461 ( -5.083 1.458 -0.994) 5.380 3.515 ( 2.182 0.561 -0.057) 2.254 3.661 ( -1.421 -0.084 0.180) 1.435 3.891 ( 1.542 0.826 -1.335) 2.200 3.938 ( -0.765 -0.450 -3.870) 3.971 3.972 ( -1.311 -0.441 -1.871) 2.327 4.206 ( -0.016 -1.910 5.397) 5.725 4.338 ( -0.034 -1.696 1.910) 2.554 4.423 ( 3.582 2.289 1.256) 4.432 4.546 ( -1.187 -1.040 1.310) 2.051 4.644 ( -5.404 3.920 1.087) 6.763 4.921 ( 2.603 -1.572 -0.242) 3.050 5.111 ( 2.192 1.392 0.538) 2.652 5.216 ( 4.179 0.916 -0.962) 4.385 5.283 ( -0.548 -4.148 -2.484) 4.866 5.326 ( 0.747 -1.129 -1.099) 1.744 5.422 ( -1.763 1.864 -2.254) 3.415 5.557 ( 3.740 3.852 -2.260) 5.825 5.727 ( 3.199 1.775 -1.002) 3.793 5.916 ( 0.671 -1.957 1.788) 2.734 5.955 ( -1.842 -3.469 1.217) 4.112 5.997 ( -2.905 0.860 4.022) 5.035 6.111 ( -3.731 -2.999 1.713) 5.084 6.165 ( -0.894 -1.563 -0.091) 1.803 6.280 ( -0.344 -0.928 -5.935) 6.017 6.544 ( -5.090 -6.408 -0.609) 8.206 6.788 ( -1.607 3.069 -0.845) 3.566 6.825 ( 0.354 5.312 -2.137) 5.737 7.010 ( 4.573 -0.847 8.784) 9.939 7.215 ( 2.404 -2.911 -0.372) 3.794 10.219 ( -0.151 0.442 -0.170) 0.497 10.239 ( -0.067 0.039 -0.275) 0.286 10.250 ( 0.124 0.762 -0.163) 0.789 10.278 ( 0.678 0.877 -0.317) 1.153 10.456 ( 1.311 0.165 -0.256) 1.346 10.526 ( 1.846 5.593 -2.666) 6.465 10.556 ( -0.299 -0.471 1.181) 1.306 10.704 ( 1.001 1.225 -2.058) 2.596 11.083 ( 0.686 0.065 -2.531) 2.623 11.106 ( -0.176 -0.176 -3.634) 3.642 11.237 ( -0.386 -0.829 3.629) 3.743 11.312 ( 0.582 -3.500 4.993) 6.125 11.632 ( 0.131 0.312 1.233) 1.278 11.703 ( -3.082 -1.149 -3.197) 4.587 11.863 ( -0.277 -0.123 2.361) 2.381 11.946 ( -2.115 -1.463 0.519) 2.624 ======================= Grid point 45 (23/64) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 3.109 6.263 6.310) 9.418 0.548 ( 1.595 7.755 6.707) 10.376 0.632 ( 0.821 -2.721 1.508) 3.217 0.662 ( -1.134 1.120 0.028) 1.594 0.718 ( 0.087 0.111 1.283) 1.291 0.751 ( -0.637 2.171 3.124) 3.857 0.860 ( -1.636 2.323 -0.969) 3.002 0.887 ( -0.758 2.348 0.271) 2.482 0.921 ( 1.085 -0.056 -0.131) 1.094 0.965 ( 1.629 -0.246 0.105) 1.651 0.980 ( 2.047 2.867 1.241) 3.735 1.031 ( 2.401 -1.408 -1.903) 3.372 1.049 ( 1.315 0.129 0.887) 1.592 1.071 ( -1.018 1.751 -1.962) 2.820 1.118 ( -0.731 0.162 -1.240) 1.449 1.142 ( -2.377 -2.553 -0.352) 3.506 1.157 ( -0.355 0.453 -0.180) 0.603 1.175 ( -1.322 -1.342 -1.041) 2.152 1.220 ( 0.558 2.113 1.167) 2.478 1.240 ( 1.532 1.700 1.277) 2.621 1.272 ( 2.023 -0.960 0.431) 2.280 1.343 ( 1.812 -0.788 0.211) 1.987 1.364 ( -0.474 2.318 0.749) 2.482 1.384 ( -0.102 0.737 1.064) 1.299 1.392 ( -0.247 -0.436 0.616) 0.794 1.461 ( 1.613 -2.055 1.987) 3.282 1.476 ( -0.646 -0.755 -2.609) 2.792 1.527 ( -0.762 -0.885 -0.905) 1.477 1.583 ( -0.663 0.887 -0.292) 1.145 1.626 ( -2.032 3.304 2.306) 4.513 1.662 ( -0.054 -1.359 -0.020) 1.360 1.741 ( 0.056 1.758 1.023) 2.035 1.758 ( 0.931 -0.642 -1.465) 1.850 1.882 ( -0.517 -0.893 0.455) 1.128 1.963 ( 1.253 -1.645 0.214) 2.079 2.062 ( -0.452 -3.159 -0.029) 3.191 2.298 ( 0.792 4.424 -1.964) 4.904 2.477 ( -0.040 -2.013 -3.966) 4.448 2.554 ( 0.508 0.307 -3.662) 3.710 2.612 ( -0.139 -2.383 -1.844) 3.016 2.777 ( -2.449 0.060 1.623) 2.939 2.810 ( -3.385 1.285 -2.331) 4.306 2.846 ( -1.145 -1.431 -1.446) 2.334 2.903 ( -0.248 -1.750 2.711) 3.236 3.012 ( 2.326 3.803 -0.573) 4.495 3.119 ( 0.726 -1.125 1.366) 1.913 3.174 ( 0.946 0.235 0.469) 1.082 3.213 ( -0.173 -1.409 -2.405) 2.793 3.285 ( -0.274 0.708 -1.966) 2.107 3.358 ( 2.003 -1.544 0.105) 2.532 3.429 ( -3.017 0.570 -0.144) 3.074 3.503 ( 0.944 -3.513 -1.816) 4.066 3.702 ( -0.466 4.395 1.578) 4.693 3.842 ( -2.074 -1.596 -1.937) 3.256 3.943 ( 0.005 0.172 -1.892) 1.900 3.976 ( 2.737 -1.201 -0.251) 3.000 4.196 ( 0.303 1.697 1.002) 1.994 4.309 ( 1.490 -2.887 1.611) 3.626 4.469 ( -0.717 0.412 -0.267) 0.869 4.497 ( -1.617 -1.358 1.252) 2.454 4.702 ( 0.254 5.463 1.668) 5.718 4.892 ( -0.524 -3.882 -1.212) 4.100 5.212 ( 2.243 2.049 -1.806) 3.534 5.239 ( -2.322 1.644 -0.603) 2.908 5.265 ( 3.191 -0.791 -0.470) 3.321 5.331 ( 0.453 -2.834 0.672) 2.948 5.417 ( -2.047 2.994 0.800) 3.714 5.559 ( -1.751 -2.521 2.043) 3.687 5.760 ( 0.266 -0.437 0.164) 0.537 5.843 ( 0.045 -3.539 -1.118) 3.712 5.931 ( 0.569 0.864 -1.145) 1.543 5.991 ( -0.634 -0.244 -0.763) 1.021 6.054 ( -1.786 0.753 -0.578) 2.023 6.156 ( 2.484 -1.748 -0.655) 3.107 6.256 ( -1.230 1.567 -1.085) 2.268 6.423 ( 3.803 -5.417 0.017) 6.619 6.850 ( -0.011 5.087 0.873) 5.162 6.914 ( -1.238 4.826 1.766) 5.286 7.021 ( 0.257 -2.757 3.801) 4.703 7.160 ( 0.264 -5.465 -0.162) 5.474 10.226 ( -0.269 0.595 -0.004) 0.653 10.241 ( -0.147 -0.076 -0.050) 0.173 10.265 ( 0.232 0.948 -0.534) 1.112 10.293 ( 0.348 -0.163 -0.372) 0.535 10.471 ( -0.004 0.493 0.299) 0.577 10.522 ( -0.303 -1.738 1.459) 2.289 10.679 ( 1.092 3.619 -7.172) 8.108 10.725 ( -0.149 0.455 -3.397) 3.430 11.062 ( -1.906 0.475 -1.788) 2.656 11.092 ( -0.357 -0.742 -3.785) 3.873 11.202 ( -1.421 0.705 4.801) 5.057 11.244 ( -0.725 -1.026 3.485) 3.705 11.651 ( 1.015 0.810 1.723) 2.158 11.722 ( 4.984 -3.527 2.977) 6.793 11.852 ( -0.879 0.240 1.100) 1.429 11.890 ( -0.861 -1.610 0.493) 1.891 ======================= Grid point 46 (24/64) ======================= q-point: ( 0.20 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -3.105 7.501 5.269) 9.679 0.607 ( -0.545 0.820 0.309) 1.032 0.631 ( 2.667 1.491 2.328) 3.841 0.643 ( -2.102 1.254 1.089) 2.679 0.739 ( 0.068 0.467 3.201) 3.235 0.761 ( 1.438 -1.275 1.413) 2.385 0.842 ( -0.457 1.441 -1.693) 2.270 0.870 ( -1.189 0.975 -0.728) 1.701 0.915 ( -1.765 0.603 -0.478) 1.925 0.958 ( -2.260 2.138 -0.296) 3.125 0.984 ( -3.126 2.936 -0.100) 4.290 1.009 ( -2.114 2.067 -1.565) 3.345 1.039 ( -1.102 0.196 0.925) 1.452 1.053 ( -3.155 0.050 -1.467) 3.480 1.107 ( -0.760 -3.178 0.082) 3.269 1.122 ( -1.065 -0.165 -0.196) 1.096 1.128 ( 1.125 -0.126 1.184) 1.638 1.162 ( 1.680 -0.129 0.230) 1.701 1.237 ( 0.809 -0.411 0.451) 1.013 1.266 ( 0.816 0.953 0.785) 1.480 1.319 ( 1.634 -0.594 1.564) 2.339 1.360 ( 0.055 1.603 0.781) 1.783 1.383 ( 1.010 0.547 0.220) 1.170 1.405 ( 2.431 0.121 -0.483) 2.481 1.428 ( -2.063 -0.878 -2.932) 3.691 1.439 ( 4.239 1.838 1.863) 4.982 1.513 ( -0.376 -0.465 -0.458) 0.753 1.525 ( 1.720 -2.412 0.776) 3.063 1.582 ( 0.513 0.274 -0.133) 0.597 1.613 ( 0.732 4.327 2.427) 5.015 1.654 ( -0.362 -1.377 0.539) 1.523 1.764 ( 1.965 2.405 0.414) 3.133 1.788 ( 1.917 -0.925 -0.529) 2.193 1.892 ( 1.472 -1.881 0.314) 2.409 1.991 ( 1.039 -1.923 1.543) 2.675 2.041 ( -1.830 -0.930 -0.466) 2.105 2.333 ( 2.708 3.398 -1.108) 4.484 2.467 ( -0.485 -2.470 -3.888) 4.632 2.544 ( -0.645 1.872 -3.946) 4.415 2.617 ( 0.577 -1.584 -1.699) 2.394 2.702 ( -4.098 -0.083 0.431) 4.122 2.753 ( -2.807 -1.445 2.181) 3.837 2.819 ( -0.281 1.576 -4.059) 4.363 2.896 ( -0.279 -1.272 2.203) 2.559 3.045 ( 0.747 2.226 -0.221) 2.358 3.100 ( -0.837 -0.248 -0.694) 1.116 3.172 ( -1.301 0.643 0.804) 1.659 3.221 ( -0.762 0.248 -3.455) 3.546 3.308 ( 2.263 -1.789 -0.577) 2.942 3.336 ( -1.554 -4.215 0.444) 4.514 3.429 ( 1.253 2.673 -0.850) 3.072 3.531 ( 1.419 -3.324 -0.331) 3.630 3.689 ( -0.640 3.377 1.784) 3.873 3.811 ( -0.912 -1.245 0.553) 1.639 3.947 ( 0.699 1.143 -2.054) 2.452 4.017 ( 1.432 -1.830 -1.213) 2.621 4.220 ( 1.960 3.830 0.851) 4.385 4.343 ( 0.856 -2.018 3.168) 3.853 4.446 ( -3.535 -0.331 0.530) 3.590 4.463 ( 0.793 -1.076 -2.529) 2.860 4.729 ( 2.021 2.886 1.500) 3.829 4.851 ( -3.162 -2.903 -2.230) 4.837 5.175 ( -2.372 1.500 -0.011) 2.806 5.219 ( -2.266 2.427 0.540) 3.364 5.306 ( 0.608 -1.504 -1.098) 1.959 5.325 ( 0.029 -5.193 -0.279) 5.200 5.408 ( 0.834 2.998 -0.288) 3.125 5.528 ( -1.805 -1.336 0.702) 2.353 5.771 ( 0.624 0.611 0.779) 1.170 5.858 ( 0.868 -2.933 -0.535) 3.105 5.913 ( -1.330 2.929 -0.293) 3.230 5.999 ( 1.105 1.362 2.027) 2.681 6.051 ( 1.379 -1.355 -1.962) 2.755 6.201 ( 2.360 -5.426 -0.160) 5.920 6.254 ( 1.550 4.587 -1.460) 5.057 6.504 ( 2.660 -8.303 -0.567) 8.737 6.850 ( -1.247 4.108 0.437) 4.315 6.911 ( 1.806 4.700 1.947) 5.399 6.994 ( -3.124 -1.532 3.365) 4.840 7.145 ( -1.565 -4.778 -0.249) 5.034 10.223 ( 0.027 0.329 -0.379) 0.503 10.234 ( -0.485 -0.182 -0.172) 0.546 10.267 ( 0.008 1.124 -0.287) 1.160 10.294 ( -0.255 0.133 -0.183) 0.341 10.465 ( -0.619 0.624 0.386) 0.959 10.515 ( -0.547 -1.506 1.089) 1.937 10.650 ( -2.110 4.010 -4.151) 6.145 10.710 ( -0.866 0.415 -3.176) 3.318 11.041 ( 0.407 1.368 -2.335) 2.737 11.088 ( 0.402 -0.907 -3.301) 3.447 11.201 ( 0.524 0.998 3.911) 4.070 11.241 ( -0.200 -0.836 3.595) 3.697 11.674 ( 0.822 1.531 1.146) 2.082 11.795 ( 1.008 -4.232 -0.711) 4.408 11.843 ( -0.208 -0.114 0.554) 0.602 11.900 ( 1.973 -3.997 3.385) 5.597 ======================= Grid point 47 (25/64) ======================= q-point: ( 0.40 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 1.258 4.971 3.809) 6.388 0.576 ( -3.010 0.430 -0.686) 3.117 0.604 ( 0.191 -1.650 -0.298) 1.688 0.669 ( 0.248 -1.010 1.091) 1.507 0.731 ( -0.633 0.863 -0.157) 1.081 0.787 ( 0.703 -1.383 0.497) 1.629 0.804 ( -3.151 0.915 -2.503) 4.126 0.848 ( -0.954 1.311 -0.465) 1.687 0.873 ( -0.884 -1.150 0.256) 1.473 0.901 ( -2.676 0.610 -0.310) 2.762 0.943 ( -0.449 3.787 -1.311) 4.033 0.961 ( -1.324 3.116 -1.554) 3.725 1.000 ( -1.518 1.032 -1.145) 2.163 1.044 ( 0.386 0.562 1.710) 1.841 1.086 ( -1.097 -2.116 -0.707) 2.486 1.099 ( -0.736 -1.208 0.005) 1.414 1.138 ( 0.367 1.635 1.959) 2.578 1.209 ( 0.884 -1.686 1.703) 2.554 1.250 ( 0.516 -0.256 -0.307) 0.652 1.279 ( 0.035 -0.190 -0.746) 0.770 1.325 ( -0.685 0.503 -0.724) 1.117 1.360 ( 0.352 1.405 0.326) 1.484 1.383 ( -1.615 0.042 -2.397) 2.890 1.401 ( -0.837 -1.167 2.083) 2.530 1.446 ( 1.897 0.927 -0.857) 2.279 1.495 ( -0.432 -1.539 -0.312) 1.629 1.523 ( 2.766 1.879 0.740) 3.425 1.529 ( -0.355 0.311 -0.129) 0.489 1.584 ( -0.318 1.086 0.409) 1.203 1.647 ( -0.097 -2.172 0.731) 2.293 1.670 ( 2.911 4.892 4.009) 6.963 1.796 ( 0.809 1.867 -0.196) 2.044 1.827 ( 1.935 -0.737 0.745) 2.201 1.920 ( 0.000 0.770 1.250) 1.469 1.993 ( -1.242 -0.792 0.787) 1.670 2.008 ( 0.000 -3.504 -0.192) 3.509 2.382 ( 1.770 2.324 -0.448) 2.955 2.444 ( -1.231 0.414 -1.598) 2.059 2.540 ( 0.600 0.550 -4.325) 4.401 2.615 ( -0.019 -0.245 0.439) 0.503 2.658 ( -0.811 -1.725 -0.517) 1.975 2.713 ( -0.800 -2.383 1.632) 2.997 2.837 ( 2.144 2.690 -1.463) 3.738 2.911 ( 1.728 -1.306 2.277) 3.143 3.044 ( -0.925 -0.442 -0.545) 1.161 3.075 ( -2.070 -0.883 -3.057) 3.796 3.135 ( -1.879 2.825 -1.257) 3.618 3.220 ( 1.322 0.702 0.079) 1.499 3.290 ( -1.501 -1.804 0.234) 2.359 3.362 ( 1.379 -3.292 -1.279) 3.791 3.449 ( 1.344 2.476 -0.644) 2.890 3.546 ( 0.021 -2.420 1.908) 3.082 3.689 ( 0.205 1.985 2.360) 3.090 3.803 ( -0.209 -2.212 2.910) 3.661 3.967 ( 1.412 1.985 -3.556) 4.310 4.027 ( -0.114 -0.347 -2.849) 2.872 4.258 ( 0.839 3.397 1.747) 3.911 4.335 ( -1.673 -1.897 2.871) 3.826 4.378 ( -2.230 1.637 -0.872) 2.901 4.493 ( 1.957 -2.735 -2.661) 4.288 4.774 ( 1.969 -0.273 0.833) 2.156 4.800 ( -1.010 -1.805 -1.266) 2.425 5.141 ( -1.993 1.817 -0.768) 2.804 5.170 ( -1.309 2.277 0.966) 2.798 5.293 ( -1.435 -2.056 -1.876) 3.132 5.324 ( -0.537 -3.670 0.130) 3.712 5.443 ( 2.831 1.352 -2.973) 4.322 5.493 ( -1.272 -0.170 -1.542) 2.006 5.765 ( -1.589 1.954 1.623) 2.996 5.867 ( 0.888 -2.405 -0.503) 2.613 5.906 ( 0.103 2.090 2.483) 3.247 6.013 ( -0.741 -1.744 3.835) 4.277 6.096 ( 3.639 1.893 -2.447) 4.777 6.243 ( 0.294 2.147 2.008) 2.955 6.294 ( 2.426 -2.682 -3.050) 4.731 6.510 ( -1.208 -8.948 -0.695) 9.055 6.823 ( -0.571 3.259 1.270) 3.544 6.929 ( -3.325 -1.301 4.008) 5.368 6.962 ( 2.044 4.000 -0.810) 4.564 7.114 ( -1.112 -3.357 -0.808) 3.627 10.225 ( -0.245 0.014 -0.493) 0.550 10.227 ( 0.468 -0.083 -0.662) 0.815 10.265 ( -0.149 0.940 0.101) 0.957 10.285 ( -0.563 0.228 -0.019) 0.607 10.452 ( -0.571 1.029 0.696) 1.367 10.510 ( 0.088 -1.187 0.191) 1.205 10.619 ( -0.813 3.702 -1.210) 3.979 10.693 ( -0.248 0.175 -2.374) 2.393 11.057 ( 1.264 1.082 -3.097) 3.516 11.096 ( 0.721 -0.848 -3.182) 3.371 11.222 ( 0.940 0.412 4.189) 4.313 11.241 ( -0.377 -0.510 3.699) 3.753 11.675 ( -0.735 1.633 -0.483) 1.854 11.783 ( -1.452 -3.440 -3.272) 4.965 11.847 ( 0.567 0.623 1.956) 2.129 11.936 ( 0.630 -4.740 3.281) 5.799 ======================= Grid point 48 (26/64) ======================= q-point: (-0.40 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -2.261 0.979 2.792) 3.723 0.520 ( -0.543 -0.158 -2.220) 2.291 0.625 ( 2.129 -1.807 0.307) 2.809 0.639 ( -3.281 -2.323 0.423) 4.042 0.708 ( -0.545 2.489 -0.639) 2.626 0.778 ( 0.618 0.263 -2.288) 2.384 0.800 ( 1.098 -0.032 -0.682) 1.293 0.842 ( 1.433 0.415 -2.341) 2.777 0.887 ( 1.524 -0.172 1.317) 2.021 0.910 ( 2.482 2.547 0.517) 3.594 0.931 ( 0.597 3.372 0.279) 3.436 0.953 ( -0.245 1.715 -1.343) 2.192 1.003 ( 1.681 1.166 -1.363) 2.458 1.052 ( 0.157 0.210 1.456) 1.479 1.077 ( 0.069 -2.044 -0.790) 2.192 1.087 ( -0.086 0.572 0.028) 0.579 1.149 ( 0.211 0.508 1.861) 1.941 1.203 ( -1.055 -0.681 0.295) 1.290 1.251 ( -1.923 -0.788 -0.376) 2.112 1.259 ( 0.122 -0.266 -0.114) 0.314 1.312 ( -0.033 1.405 -1.001) 1.725 1.354 ( -1.978 0.198 0.318) 2.014 1.360 ( -1.801 0.577 0.258) 1.909 1.384 ( 1.042 -0.075 -0.525) 1.169 1.460 ( -0.778 -0.149 -1.204) 1.441 1.477 ( -1.321 -1.801 -0.575) 2.307 1.511 ( -1.150 0.629 0.738) 1.504 1.561 ( 0.738 0.435 0.778) 1.158 1.592 ( 0.866 0.262 0.798) 1.206 1.643 ( -0.146 0.651 0.989) 1.193 1.704 ( -0.266 2.396 2.848) 3.731 1.785 ( -1.699 2.063 -0.253) 2.685 1.831 ( -2.512 -0.395 0.802) 2.666 1.908 ( 0.192 1.789 1.164) 2.143 1.965 ( -1.179 -1.290 -0.610) 1.851 2.040 ( 1.897 -4.549 0.815) 4.996 2.364 ( -2.721 3.220 -1.264) 4.401 2.451 ( 1.516 1.802 -1.222) 2.653 2.542 ( 0.112 -1.422 -3.580) 3.853 2.623 ( 0.224 -2.192 -1.536) 2.686 2.685 ( 3.994 -0.190 3.201) 5.122 2.725 ( 1.676 -1.983 2.399) 3.535 2.884 ( 2.364 2.961 0.998) 3.918 2.964 ( 2.442 -2.178 1.280) 3.513 2.994 ( -3.711 -1.233 -2.496) 4.639 3.019 ( -2.003 -0.707 -2.725) 3.455 3.130 ( 1.314 3.788 -0.929) 4.116 3.242 ( 0.376 2.294 0.145) 2.329 3.282 ( 0.518 -2.595 -0.426) 2.680 3.368 ( -0.727 -2.690 -0.980) 2.954 3.485 ( 1.941 0.970 -0.115) 2.173 3.533 ( -1.522 -1.110 1.135) 2.199 3.692 ( -0.253 2.471 2.654) 3.635 3.821 ( 1.810 -2.501 3.436) 4.620 3.966 ( -1.195 1.100 -3.883) 4.209 4.009 ( -1.525 0.027 -4.044) 4.322 4.233 ( -2.265 1.682 1.111) 3.031 4.310 ( -1.154 -2.731 1.470) 3.309 4.391 ( 3.000 2.974 -0.059) 4.225 4.516 ( 0.551 -2.852 -1.209) 3.146 4.780 ( -1.445 0.560 0.995) 1.842 4.822 ( 2.642 -1.910 0.188) 3.265 5.108 ( -0.310 1.897 -1.098) 2.214 5.176 ( 1.303 1.061 -0.626) 1.793 5.262 ( -1.073 -1.138 -1.891) 2.454 5.312 ( -0.312 -1.398 -0.767) 1.624 5.475 ( 0.116 1.351 -1.926) 2.356 5.509 ( 3.454 -0.358 -2.347) 4.191 5.737 ( -0.824 2.673 1.141) 3.021 5.884 ( 0.232 -4.563 -0.112) 4.570 5.911 ( -0.064 1.479 2.571) 2.967 6.002 ( -0.253 -1.703 3.895) 4.259 6.141 ( 0.465 1.117 -1.219) 1.718 6.205 ( -4.120 2.626 2.049) 5.298 6.297 ( -1.338 -1.721 -3.658) 4.259 6.482 ( -1.886 -8.248 -0.800) 8.499 6.845 ( 2.153 2.689 0.752) 3.526 6.890 ( -0.389 1.533 2.750) 3.172 6.978 ( -0.210 2.051 0.642) 2.159 7.112 ( 0.966 -3.666 -0.918) 3.901 10.224 ( 0.223 0.312 -0.625) 0.734 10.237 ( 0.475 -0.221 -0.430) 0.678 10.263 ( -0.096 0.705 0.144) 0.726 10.276 ( -0.114 0.090 -0.169) 0.222 10.450 ( 0.311 1.240 0.625) 1.424 10.517 ( 0.521 -1.542 0.283) 1.652 10.612 ( 0.346 4.181 -1.263) 4.381 10.698 ( 0.951 -0.025 -2.131) 2.333 11.077 ( 1.033 0.751 -2.972) 3.235 11.103 ( 0.379 -0.617 -3.363) 3.440 11.235 ( -0.626 -0.149 4.167) 4.217 11.247 ( 0.988 -0.670 4.822) 4.967 11.653 ( -1.164 1.159 -0.523) 1.724 11.735 ( -2.937 -3.109 -4.050) 5.891 11.862 ( 0.434 0.695 2.552) 2.681 11.934 ( -0.916 -3.153 2.089) 3.891 ======================= Grid point 49 (27/64) ======================= q-point: (-0.20 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 0.060 5.941 2.095) 6.300 0.543 ( -0.230 5.136 5.475) 7.511 0.588 ( 0.553 -2.692 -0.400) 2.777 0.690 ( 0.887 -1.048 0.505) 1.462 0.706 ( 1.132 0.144 1.175) 1.638 0.767 ( -1.060 -0.447 1.250) 1.699 0.855 ( 3.369 3.216 -1.965) 5.055 0.894 ( 2.725 -0.456 -1.749) 3.270 0.908 ( 0.031 1.665 2.426) 2.943 0.932 ( 0.726 2.219 -0.107) 2.338 0.939 ( -0.739 0.394 -1.584) 1.792 0.977 ( 2.894 -0.556 -0.686) 3.026 1.038 ( 0.961 0.611 -0.768) 1.374 1.058 ( 1.343 0.340 -0.254) 1.408 1.095 ( 2.179 0.530 -1.176) 2.532 1.118 ( 2.771 0.220 0.646) 2.854 1.158 ( 1.311 0.923 0.543) 1.693 1.185 ( -0.769 -0.549 -0.020) 0.945 1.221 ( -1.282 0.982 0.368) 1.656 1.241 ( -1.777 0.296 0.425) 1.851 1.296 ( -2.708 0.897 1.150) 3.076 1.327 ( 0.840 0.267 -1.118) 1.423 1.360 ( 0.872 0.679 0.307) 1.147 1.387 ( -0.664 -0.924 0.543) 1.260 1.423 ( -2.188 -1.401 0.242) 2.609 1.451 ( -1.055 -2.015 0.273) 2.291 1.493 ( -0.745 0.836 -1.216) 1.653 1.557 ( -1.484 -0.795 1.092) 2.007 1.596 ( -0.447 0.694 0.424) 0.928 1.650 ( 0.574 1.891 0.326) 2.003 1.675 ( -2.408 0.608 1.537) 2.921 1.749 ( -1.391 2.720 0.823) 3.164 1.777 ( -2.257 -1.260 -1.026) 2.781 1.902 ( -1.156 0.780 0.687) 1.555 1.952 ( -0.051 -2.100 -0.661) 2.202 2.063 ( 0.402 -4.092 0.579) 4.152 2.312 ( -1.929 4.418 -1.813) 5.150 2.473 ( 0.899 0.441 -2.617) 2.802 2.544 ( 0.672 -1.915 -3.616) 4.146 2.620 ( -0.239 -2.897 -2.160) 3.621 2.770 ( 2.769 -0.242 3.521) 4.486 2.800 ( 5.079 -0.743 2.947) 5.919 2.885 ( -3.063 -0.160 0.056) 3.067 2.922 ( -2.628 -1.686 0.555) 3.171 2.972 ( 1.466 4.139 -3.621) 5.692 3.059 ( 3.599 -1.480 0.490) 3.922 3.158 ( 1.328 1.608 0.176) 2.093 3.249 ( -0.784 -0.078 -2.422) 2.547 3.286 ( 0.857 0.209 -0.960) 1.304 3.333 ( -1.816 -2.384 -0.206) 3.004 3.490 ( -2.177 0.592 0.909) 2.432 3.507 ( -0.645 -1.457 -1.578) 2.242 3.696 ( 0.495 4.088 2.076) 4.612 3.866 ( 1.208 -3.416 1.365) 3.872 3.939 ( -0.119 0.474 -2.809) 2.851 3.962 ( -1.925 -0.565 -3.075) 3.671 4.203 ( -1.000 1.463 0.522) 1.847 4.296 ( -0.286 -2.623 1.090) 2.854 4.454 ( 2.591 1.165 0.790) 2.949 4.514 ( -0.556 -2.190 0.488) 2.312 4.728 ( -3.013 4.727 1.159) 5.724 4.877 ( 2.147 -3.111 0.150) 3.783 5.140 ( 3.585 1.719 -0.270) 3.985 5.213 ( 2.449 -1.989 -1.846) 3.656 5.256 ( 0.482 1.557 -1.960) 2.549 5.314 ( 0.560 -0.603 -0.841) 1.177 5.461 ( -1.711 2.309 -0.042) 2.874 5.567 ( 1.541 -2.156 1.229) 2.921 5.746 ( 1.381 0.825 -0.700) 1.755 5.864 ( -1.815 -4.977 0.077) 5.299 5.916 ( 0.551 1.878 0.511) 2.023 6.004 ( -0.611 -0.825 1.964) 2.216 6.101 ( -3.030 0.838 -0.195) 3.149 6.148 ( -1.469 -0.185 0.803) 1.684 6.267 ( -0.515 0.459 -3.874) 3.935 6.426 ( -3.120 -6.242 -0.352) 6.987 6.859 ( -0.593 4.231 1.293) 4.464 6.921 ( 1.238 5.383 -1.574) 5.743 6.985 ( 1.546 -1.974 5.543) 6.084 7.139 ( 1.621 -5.202 -0.582) 5.480 10.229 ( 0.120 0.610 -0.246) 0.669 10.240 ( 0.031 0.074 -0.025) 0.084 10.262 ( 0.064 0.613 -0.271) 0.673 10.283 ( 0.657 -0.256 -0.494) 0.861 10.463 ( 0.729 0.858 0.415) 1.200 10.524 ( -0.023 -1.793 1.079) 2.093 10.637 ( 2.675 4.695 -3.938) 6.686 10.718 ( 1.167 0.055 -2.834) 3.065 11.085 ( -0.033 0.251 -2.594) 2.606 11.101 ( -0.051 -0.413 -3.705) 3.729 11.225 ( -1.030 -0.216 4.647) 4.765 11.261 ( -0.689 -2.001 4.642) 5.102 11.639 ( -0.067 0.578 0.764) 0.960 11.679 ( -1.396 -1.412 -1.197) 2.318 11.865 ( -0.429 0.397 1.918) 2.005 11.913 ( -1.346 -1.945 0.949) 2.549 ======================= Grid point 50 (28/64) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 2.024 -3.841 2.870) 5.205 0.570 ( 2.024 3.841 2.870) 5.205 0.661 ( 0.173 -2.566 1.308) 2.885 0.661 ( 0.173 2.566 1.308) 2.885 0.722 ( 0.070 -2.823 3.565) 4.548 0.722 ( 0.070 2.823 3.565) 4.548 0.889 ( -0.710 -1.901 -0.779) 2.173 0.889 ( -0.710 1.901 -0.779) 2.173 0.978 ( 3.184 -2.822 -1.494) 4.509 0.978 ( 3.184 2.822 -1.494) 4.509 1.022 ( -0.248 -5.495 0.575) 5.531 1.022 ( -0.248 5.495 0.575) 5.531 1.038 ( 0.651 -1.239 1.005) 1.723 1.038 ( 0.651 1.239 1.005) 1.723 1.127 ( -0.851 -1.683 -1.005) 2.137 1.127 ( -0.851 1.683 -1.005) 2.137 1.154 ( -1.581 -0.749 -0.975) 2.003 1.154 ( -1.581 0.749 -0.975) 2.003 1.248 ( -0.815 -1.098 -0.355) 1.413 1.248 ( -0.815 1.098 -0.355) 1.413 1.295 ( 2.632 -3.117 1.115) 4.229 1.295 ( 2.632 3.117 1.115) 4.229 1.389 ( -0.471 -0.824 2.181) 2.379 1.389 ( -0.471 0.824 2.181) 2.379 1.421 ( 2.133 -2.070 0.676) 3.048 1.421 ( 2.133 2.070 0.676) 3.048 1.498 ( -1.248 -2.310 -2.004) 3.303 1.498 ( -1.248 2.310 -2.004) 3.303 1.612 ( -0.705 -2.081 0.012) 2.198 1.612 ( -0.705 2.081 0.012) 2.198 1.719 ( -0.013 -3.604 -1.025) 3.747 1.719 ( -0.013 3.604 -1.025) 3.747 1.798 ( -0.571 -4.729 2.298) 5.289 1.798 ( -0.571 4.729 2.298) 5.289 1.997 ( 0.646 -3.550 0.295) 3.620 1.997 ( 0.646 3.550 0.295) 3.620 2.396 ( 0.309 -5.585 -3.484) 6.590 2.396 ( 0.309 5.585 -3.484) 6.590 2.575 ( 0.464 -1.556 -2.479) 2.963 2.575 ( 0.464 1.556 -2.479) 2.963 2.793 ( -2.967 -1.615 -0.037) 3.378 2.793 ( -2.967 1.615 -0.037) 3.378 2.866 ( -0.293 -2.286 -0.172) 2.311 2.866 ( -0.293 2.286 -0.172) 2.311 3.077 ( 1.855 -3.070 -1.179) 3.776 3.077 ( 1.855 3.070 -1.179) 3.776 3.195 ( 0.008 -1.103 -0.036) 1.104 3.195 ( 0.008 1.103 -0.036) 1.104 3.313 ( -0.582 -2.507 -0.430) 2.609 3.313 ( -0.582 2.507 -0.430) 2.609 3.449 ( -0.366 -1.900 -0.488) 1.995 3.449 ( -0.366 1.900 -0.488) 1.995 3.787 ( -0.959 -4.237 1.085) 4.477 3.787 ( -0.959 4.237 1.085) 4.477 3.952 ( 1.175 -0.947 -1.408) 2.063 3.952 ( 1.175 0.947 -1.408) 2.063 4.249 ( 1.327 -3.421 0.337) 3.685 4.249 ( 1.327 3.421 0.337) 3.685 4.476 ( -0.990 -0.676 0.197) 1.215 4.476 ( -0.990 0.676 0.197) 1.215 4.805 ( -0.520 -5.379 0.075) 5.405 4.805 ( -0.520 5.379 0.075) 5.405 5.244 ( 3.058 -1.441 -1.379) 3.651 5.244 ( 3.058 1.441 -1.379) 3.651 5.280 ( -1.875 -2.632 -0.420) 3.259 5.280 ( -1.875 2.632 -0.420) 3.259 5.487 ( -1.492 -4.385 2.599) 5.311 5.487 ( -1.492 4.385 2.599) 5.311 5.783 ( 0.657 -2.602 0.062) 2.684 5.783 ( 0.657 2.602 0.062) 2.684 5.963 ( 0.135 -2.108 -2.084) 2.968 5.963 ( 0.135 2.108 -2.084) 2.968 6.097 ( -1.141 -3.359 0.392) 3.569 6.097 ( -1.141 3.359 0.392) 3.569 6.327 ( 1.886 -4.907 -1.302) 5.416 6.327 ( 1.886 4.907 -1.302) 5.416 6.931 ( -0.893 -3.296 3.391) 4.813 6.931 ( -0.893 3.296 3.391) 4.813 7.050 ( 0.595 -5.774 -0.405) 5.819 7.050 ( 0.595 5.774 -0.405) 5.819 10.236 ( -0.334 -0.437 0.079) 0.556 10.236 ( -0.334 0.437 0.079) 0.556 10.283 ( 0.493 -0.874 -0.692) 1.219 10.283 ( 0.493 0.874 -0.692) 1.219 10.490 ( -0.203 -1.507 1.160) 1.912 10.490 ( -0.203 1.507 1.160) 1.912 10.720 ( 0.368 -1.090 -4.833) 4.968 10.720 ( 0.368 1.090 -4.833) 4.968 11.076 ( -0.837 -0.925 -2.814) 3.078 11.076 ( -0.837 0.925 -2.814) 3.078 11.221 ( -0.636 -1.278 4.201) 4.437 11.221 ( -0.636 1.278 4.201) 4.437 11.674 ( 2.179 -1.817 1.919) 3.425 11.674 ( 2.179 1.817 1.919) 3.425 11.864 ( -0.932 -1.076 0.719) 1.594 11.864 ( -0.932 1.076 0.719) 1.594 ======================= Grid point 52 (29/64) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -2.223 -4.075 1.074) 4.764 0.550 ( -2.223 4.075 1.074) 4.764 0.674 ( -0.613 -0.789 1.430) 1.744 0.674 ( -0.613 0.789 1.430) 1.744 0.738 ( 0.845 -1.064 3.536) 3.788 0.738 ( 0.845 1.064 3.536) 3.788 0.866 ( -1.336 -1.009 -1.158) 2.036 0.866 ( -1.336 1.009 -1.158) 2.036 0.957 ( -3.665 -2.694 -0.559) 4.583 0.957 ( -3.665 2.694 -0.559) 4.583 1.020 ( -0.826 -3.167 -0.162) 3.277 1.020 ( -0.826 3.167 -0.162) 3.277 1.043 ( -2.443 -0.811 -0.899) 2.727 1.043 ( -2.443 0.811 -0.899) 2.727 1.078 ( -0.711 -2.402 0.915) 2.667 1.078 ( -0.711 2.402 0.915) 2.667 1.161 ( 1.552 -0.696 -0.160) 1.708 1.161 ( 1.552 0.696 -0.160) 1.708 1.251 ( 1.064 -2.014 -0.431) 2.318 1.251 ( 1.064 2.014 -0.431) 2.318 1.343 ( 1.219 -2.768 1.328) 3.303 1.343 ( 1.219 2.768 1.328) 3.303 1.391 ( 0.335 -1.405 0.118) 1.450 1.391 ( 0.335 1.405 0.118) 1.450 1.459 ( 0.822 -2.360 -0.762) 2.612 1.459 ( 0.822 2.360 -0.762) 2.612 1.494 ( 1.725 -1.550 0.492) 2.371 1.494 ( 1.725 1.550 0.492) 2.371 1.606 ( 0.059 -1.890 0.542) 1.967 1.606 ( 0.059 1.890 0.542) 1.967 1.741 ( 2.591 -5.642 -0.507) 6.229 1.741 ( 2.591 5.642 -0.507) 6.229 1.810 ( 1.244 -3.575 1.356) 4.021 1.810 ( 1.244 3.575 1.356) 4.021 2.007 ( -0.198 -2.250 1.299) 2.606 2.007 ( -0.198 2.250 1.299) 2.606 2.404 ( 0.853 -3.889 -3.290) 5.165 2.404 ( 0.853 3.889 -3.290) 5.165 2.580 ( 0.507 -2.174 -2.925) 3.680 2.580 ( 0.507 2.174 -2.925) 3.680 2.718 ( -4.025 -1.748 1.507) 4.639 2.718 ( -4.025 1.748 1.507) 4.639 2.861 ( 0.200 -2.397 -1.315) 2.742 2.861 ( 0.200 2.397 -1.315) 2.742 3.085 ( -1.046 -1.715 -1.097) 2.289 3.085 ( -1.046 1.715 -1.097) 2.289 3.205 ( 0.756 -2.383 -1.202) 2.774 3.205 ( 0.756 2.383 -1.202) 2.774 3.289 ( -0.967 -1.515 0.468) 1.857 3.289 ( -0.967 1.515 0.468) 1.857 3.474 ( 1.870 -2.579 -0.275) 3.197 3.474 ( 1.870 2.579 -0.275) 3.197 3.762 ( -1.474 -3.823 2.095) 4.602 3.762 ( -1.474 3.823 2.095) 4.602 3.979 ( 1.718 -2.083 -1.952) 3.331 3.979 ( 1.718 2.083 -1.952) 3.331 4.291 ( 2.173 -3.531 1.304) 4.346 4.291 ( 2.173 3.531 1.304) 4.346 4.446 ( -1.640 -0.545 -1.375) 2.209 4.446 ( -1.640 0.545 -1.375) 2.209 4.788 ( -1.132 -3.534 -0.575) 3.756 4.788 ( -1.132 3.534 -0.575) 3.756 5.225 ( -2.681 -3.503 -0.421) 4.431 5.225 ( -2.681 3.503 -0.421) 4.431 5.274 ( 0.205 -1.845 -0.854) 2.044 5.274 ( 0.205 1.845 -0.854) 2.044 5.475 ( -0.374 -3.769 1.921) 4.247 5.475 ( -0.374 3.769 1.921) 4.247 5.805 ( 1.125 -2.652 0.437) 2.914 5.805 ( 1.125 2.652 0.437) 2.914 5.967 ( -0.049 -2.928 -0.783) 3.031 5.967 ( -0.049 2.928 -0.783) 3.031 6.101 ( 2.572 -4.882 -0.843) 5.582 6.101 ( 2.572 4.882 -0.843) 5.582 6.362 ( 1.077 -6.861 -0.157) 6.947 6.362 ( 1.077 6.861 -0.157) 6.947 6.916 ( -1.314 -2.916 2.445) 4.025 6.916 ( -1.314 2.916 2.445) 4.025 7.046 ( -0.547 -5.576 -0.112) 5.604 7.046 ( -0.547 5.576 -0.112) 5.604 10.229 ( -0.293 -0.314 -0.298) 0.523 10.229 ( -0.293 0.314 -0.298) 0.523 10.286 ( -0.086 -0.824 -0.308) 0.884 10.286 ( -0.086 0.824 -0.308) 0.884 10.485 ( -0.433 -1.498 1.043) 1.876 10.485 ( -0.433 1.498 1.043) 1.876 10.701 ( -1.372 -1.535 -3.824) 4.343 10.701 ( -1.372 1.535 -3.824) 4.343 11.067 ( 0.387 -1.306 -2.893) 3.198 11.067 ( 0.387 1.306 -2.893) 3.198 11.222 ( 0.109 -1.167 3.843) 4.018 11.222 ( 0.109 1.167 3.843) 4.018 11.718 ( 1.461 -3.378 0.633) 3.734 11.718 ( 1.461 3.378 0.633) 3.734 11.856 ( 0.135 -1.410 1.553) 2.101 11.856 ( 0.135 1.410 1.553) 2.101 ======================= Grid point 54 (30/64) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -0.619 -4.421 1.259) 4.639 0.529 ( -0.619 4.421 1.259) 4.639 0.626 ( -3.001 -3.279 0.868) 4.529 0.626 ( -3.001 3.279 0.868) 4.529 0.756 ( 0.460 -1.642 0.444) 1.762 0.756 ( 0.460 1.642 0.444) 1.762 0.839 ( -1.801 -2.243 -1.016) 3.050 0.839 ( -1.801 2.243 -1.016) 3.050 0.881 ( -2.134 -1.828 -0.653) 2.885 0.881 ( -2.134 1.828 -0.653) 2.885 0.993 ( -0.047 -0.718 -1.815) 1.952 0.993 ( -0.047 0.718 -1.815) 1.952 1.033 ( 0.021 -1.969 0.130) 1.973 1.033 ( 0.021 1.969 0.130) 1.973 1.065 ( -0.883 -1.952 1.420) 2.570 1.065 ( -0.883 1.952 1.420) 2.570 1.177 ( 0.201 -1.808 0.923) 2.040 1.177 ( 0.201 1.808 0.923) 2.040 1.261 ( -0.248 -1.269 -0.866) 1.556 1.261 ( -0.248 1.269 -0.866) 1.556 1.357 ( -0.269 -2.472 -0.226) 2.497 1.357 ( -0.269 2.472 -0.226) 2.497 1.383 ( -0.381 -0.806 -0.292) 0.938 1.383 ( -0.381 0.806 -0.292) 0.938 1.464 ( 0.147 -1.425 -1.028) 1.763 1.464 ( 0.147 1.425 -1.028) 1.763 1.540 ( 1.699 -0.361 0.573) 1.829 1.540 ( 1.699 0.361 0.573) 1.829 1.605 ( -0.136 -1.734 0.853) 1.938 1.605 ( -0.136 1.734 0.853) 1.938 1.785 ( 0.796 -3.864 -0.742) 4.015 1.785 ( 0.796 3.864 -0.742) 4.015 1.859 ( 3.702 -5.100 1.953) 6.598 1.859 ( 3.702 5.100 1.953) 6.598 1.982 ( -2.371 -1.457 1.755) 3.291 1.982 ( -2.371 1.457 1.755) 3.291 2.418 ( 0.827 -1.909 -1.803) 2.753 2.418 ( 0.827 1.909 -1.803) 2.753 2.584 ( -0.031 -3.078 -3.400) 4.587 2.584 ( -0.031 3.078 -3.400) 4.587 2.667 ( -0.932 -2.365 2.542) 3.595 2.667 ( -0.932 2.365 2.542) 3.595 2.880 ( 1.882 -1.964 0.068) 2.721 2.880 ( 1.882 1.964 0.068) 2.721 3.051 ( -2.159 -1.225 -2.327) 3.403 3.051 ( -2.159 1.225 -2.327) 3.403 3.202 ( -0.338 -3.430 -0.927) 3.569 3.202 ( -0.338 3.430 -0.927) 3.569 3.295 ( 0.969 -2.925 0.382) 3.105 3.295 ( 0.969 2.925 0.382) 3.105 3.498 ( 0.632 -2.728 0.474) 2.840 3.498 ( 0.632 2.728 0.474) 2.840 3.748 ( -0.246 -3.535 3.449) 4.945 3.748 ( -0.246 3.535 3.449) 4.945 4.006 ( 1.039 -1.856 -3.631) 4.208 4.006 ( 1.039 1.856 -3.631) 4.208 4.302 ( -1.575 -1.782 1.910) 3.050 4.302 ( -1.575 1.782 1.910) 3.050 4.432 ( 0.713 -3.704 -2.534) 4.544 4.432 ( 0.713 3.704 -2.534) 4.544 4.774 ( 0.109 -0.687 -0.491) 0.852 4.774 ( 0.109 0.687 -0.491) 0.852 5.184 ( -1.737 -1.910 -0.968) 2.757 5.184 ( -1.737 1.910 -0.968) 2.757 5.271 ( -0.035 -1.386 -0.079) 1.389 5.271 ( -0.035 1.386 -0.079) 1.389 5.475 ( 0.508 -1.649 -0.617) 1.833 5.475 ( 0.508 1.649 -0.617) 1.833 5.813 ( -0.359 -2.999 0.162) 3.025 5.813 ( -0.359 2.999 0.162) 3.025 5.959 ( -0.506 -3.171 2.215) 3.901 5.959 ( -0.506 3.171 2.215) 3.901 6.177 ( 3.667 -5.544 -1.225) 6.759 6.177 ( 3.667 5.544 -1.225) 6.759 6.362 ( -0.799 -6.794 0.138) 6.842 6.362 ( -0.799 6.794 0.138) 6.842 6.884 ( -1.638 -3.112 2.388) 4.250 6.884 ( -1.638 3.112 2.388) 4.250 7.042 ( 0.044 -4.298 -0.885) 4.388 7.042 ( 0.044 4.298 -0.885) 4.388 10.226 ( 0.094 -0.053 -0.685) 0.693 10.226 ( 0.094 0.053 -0.685) 0.693 10.280 ( -0.431 -0.619 0.083) 0.758 10.280 ( -0.431 0.619 0.083) 0.758 10.479 ( -0.175 -1.765 0.778) 1.937 10.479 ( -0.175 1.765 0.778) 1.937 10.676 ( -0.554 -2.126 -2.327) 3.201 10.676 ( -0.554 2.126 -2.327) 3.201 11.078 ( 0.941 -1.069 -3.112) 3.422 11.078 ( 0.941 1.069 -3.112) 3.422 11.231 ( 0.189 -0.544 3.973) 4.014 11.231 ( 0.189 0.544 3.973) 4.014 11.719 ( -1.080 -3.133 -1.794) 3.768 11.719 ( -1.080 3.133 -1.794) 3.768 11.872 ( 0.896 -2.245 2.803) 3.701 11.872 ( 0.896 2.245 2.803) 3.701 ======================= Grid point 56 (31/64) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -1.883 -2.251 0.270) 2.947 0.503 ( -1.883 2.251 0.270) 2.947 0.603 ( 0.710 -0.445 0.675) 1.076 0.603 ( 0.710 0.445 0.675) 1.076 0.753 ( -0.476 -2.100 -0.239) 2.166 0.753 ( -0.476 2.100 -0.239) 2.166 0.828 ( 1.821 -1.948 -2.999) 4.013 0.828 ( 1.821 1.948 -2.999) 4.013 0.893 ( 1.892 -1.130 1.018) 2.427 0.893 ( 1.892 1.130 1.018) 2.427 0.988 ( -0.830 -1.839 -1.338) 2.421 0.988 ( -0.830 1.839 -1.338) 2.421 1.040 ( 1.398 -2.869 -0.371) 3.213 1.040 ( 1.398 2.869 -0.371) 3.213 1.062 ( 0.489 -1.947 1.929) 2.784 1.062 ( 0.489 1.947 1.929) 2.784 1.177 ( -0.420 -1.774 0.443) 1.876 1.177 ( -0.420 1.774 0.443) 1.876 1.250 ( -0.368 -0.492 -0.644) 0.890 1.250 ( -0.368 0.492 -0.644) 0.890 1.342 ( -0.721 -1.536 -0.526) 1.776 1.342 ( -0.721 1.536 -0.526) 1.776 1.375 ( -0.708 -0.838 0.502) 1.206 1.375 ( -0.708 0.838 0.502) 1.206 1.452 ( -1.549 -0.099 -1.557) 2.198 1.452 ( -1.549 0.099 -1.557) 2.198 1.546 ( -0.438 -1.843 1.132) 2.207 1.546 ( -0.438 1.843 1.132) 2.207 1.614 ( 0.642 -2.148 0.051) 2.242 1.614 ( 0.642 2.148 0.051) 2.242 1.774 ( -1.559 -2.876 -1.032) 3.430 1.774 ( -1.559 2.876 -1.032) 3.430 1.885 ( -2.440 -5.353 2.798) 6.515 1.885 ( -2.440 5.353 2.798) 6.515 1.967 ( 1.450 -3.124 0.823) 3.541 1.967 ( 1.450 3.124 0.823) 3.541 2.423 ( -0.330 -3.104 -1.544) 3.482 2.423 ( -0.330 3.104 -1.544) 3.482 2.571 ( -0.474 -3.091 -3.432) 4.644 2.571 ( -0.474 3.091 -3.432) 4.644 2.695 ( 3.197 -1.195 3.501) 4.890 2.695 ( 3.197 1.195 3.501) 4.890 2.924 ( 1.401 -1.821 2.200) 3.181 2.924 ( 1.401 1.821 2.200) 3.181 3.001 ( -1.398 -1.107 -4.152) 4.518 3.001 ( -1.398 1.107 -4.152) 4.518 3.211 ( 0.950 -4.561 -0.662) 4.706 3.211 ( 0.950 4.561 -0.662) 4.706 3.301 ( -0.398 -3.739 0.239) 3.768 3.301 ( -0.398 3.739 0.239) 3.768 3.508 ( 0.214 -1.482 0.337) 1.535 3.508 ( 0.214 1.482 0.337) 1.535 3.760 ( 0.897 -3.934 3.695) 5.471 3.760 ( 0.897 3.934 3.695) 5.471 3.993 ( -1.879 -1.485 -4.286) 4.910 3.993 ( -1.879 1.485 -4.286) 4.910 4.266 ( -1.537 -1.983 0.305) 2.527 4.266 ( -1.537 1.983 0.305) 2.527 4.453 ( 1.428 -3.649 -1.004) 4.045 4.453 ( 1.428 3.649 -1.004) 4.045 4.792 ( 1.409 -1.111 0.467) 1.854 4.792 ( 1.409 1.111 0.467) 1.854 5.155 ( -0.659 -2.643 -1.895) 3.318 5.155 ( -0.659 2.643 -1.895) 3.318 5.278 ( 0.707 -2.129 -0.167) 2.250 5.278 ( 0.707 2.129 -0.167) 2.250 5.495 ( 1.447 -0.940 -0.847) 1.922 5.495 ( 1.447 0.940 -0.847) 1.922 5.800 ( -0.802 -4.103 0.128) 4.183 5.800 ( -0.802 4.103 0.128) 4.183 5.958 ( 0.085 -2.831 2.351) 3.681 5.958 ( 0.085 2.831 2.351) 3.681 6.189 ( -2.293 -3.343 -0.377) 4.071 6.189 ( -2.293 3.343 -0.377) 4.071 6.345 ( -0.987 -6.214 -0.670) 6.327 6.345 ( -0.987 6.214 -0.670) 6.327 6.888 ( 1.828 -1.641 2.580) 3.562 6.888 ( 1.828 1.641 2.580) 3.562 7.037 ( -0.492 -4.093 -1.143) 4.278 7.037 ( -0.492 4.093 -1.143) 4.278 10.231 ( 0.495 -0.385 -0.691) 0.934 10.231 ( 0.495 0.385 -0.691) 0.934 10.273 ( -0.252 -0.375 0.069) 0.457 10.273 ( -0.252 0.375 0.069) 0.457 10.482 ( 0.290 -2.030 0.760) 2.187 10.482 ( 0.290 2.030 0.760) 2.187 10.676 ( 0.828 -2.434 -2.200) 3.384 10.676 ( 0.828 2.434 -2.200) 3.384 11.091 ( 0.673 -0.730 -3.146) 3.299 11.091 ( 0.673 0.730 -3.146) 3.299 11.237 ( -0.121 -0.381 4.412) 4.430 11.237 ( -0.121 0.381 4.412) 4.430 11.685 ( -1.946 -2.265 -1.902) 3.541 11.685 ( -1.946 2.265 -1.902) 3.541 11.886 ( 0.072 -1.975 2.387) 3.099 11.886 ( 0.072 1.975 2.387) 3.099 ======================= Grid point 58 (32/64) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 2.567 -5.026 0.336) 5.654 0.500 ( 2.567 5.026 0.336) 5.654 0.643 ( 2.002 -3.687 2.483) 4.875 0.643 ( 2.002 3.687 2.483) 4.875 0.736 ( -1.338 -2.377 1.630) 3.178 0.736 ( -1.338 2.377 1.630) 3.178 0.888 ( 3.774 -0.968 -2.976) 4.903 0.888 ( 3.774 0.968 -2.976) 4.903 0.906 ( 0.154 -1.694 -0.610) 1.807 0.906 ( 0.154 1.694 -0.610) 1.807 0.999 ( 1.774 -1.181 0.062) 2.132 0.999 ( 1.774 1.181 0.062) 2.132 1.053 ( -0.462 -2.616 0.442) 2.693 1.053 ( -0.462 2.616 0.442) 2.693 1.102 ( 2.727 -0.622 0.494) 2.841 1.102 ( 2.727 0.622 0.494) 2.841 1.167 ( -0.131 -0.591 -0.662) 0.897 1.167 ( -0.131 0.591 -0.662) 0.897 1.246 ( -0.108 -0.617 0.651) 0.903 1.246 ( -0.108 0.617 0.651) 0.903 1.313 ( -2.443 -1.260 -0.472) 2.789 1.313 ( -2.443 1.260 -0.472) 2.789 1.375 ( 0.855 -0.949 1.689) 2.117 1.375 ( 0.855 0.949 1.689) 2.117 1.417 ( -1.290 -1.090 -0.613) 1.797 1.417 ( -1.290 1.090 -0.613) 1.797 1.531 ( -1.505 -2.190 -0.386) 2.686 1.531 ( -1.505 2.190 -0.386) 2.686 1.620 ( -0.029 -2.124 0.172) 2.131 1.620 ( -0.029 2.124 0.172) 2.131 1.737 ( -1.595 -2.817 -1.723) 3.667 1.737 ( -1.595 2.817 -1.723) 3.667 1.831 ( -2.844 -5.695 3.214) 7.131 1.831 ( -2.844 5.695 3.214) 7.131 1.988 ( 0.479 -3.913 0.058) 3.943 1.988 ( 0.479 3.913 0.058) 3.943 2.405 ( -0.838 -5.335 -2.698) 6.037 2.405 ( -0.838 5.335 -2.698) 6.037 2.567 ( 0.503 -2.600 -3.033) 4.026 2.567 ( 0.503 2.600 -3.033) 4.026 2.779 ( 4.018 -1.135 2.972) 5.125 2.779 ( 4.018 1.135 2.972) 5.125 2.894 ( -2.861 -1.256 0.596) 3.181 2.894 ( -2.861 1.256 0.596) 3.181 3.031 ( 3.094 -2.087 -2.435) 4.456 3.031 ( 3.094 2.087 -2.435) 4.456 3.208 ( -1.118 -3.487 -0.865) 3.763 3.208 ( -1.118 3.487 -0.865) 3.763 3.302 ( 0.879 -1.369 0.047) 1.627 3.302 ( 0.879 1.369 0.047) 1.627 3.490 ( -2.323 -0.088 -0.096) 2.327 3.490 ( -2.323 0.088 -0.096) 2.327 3.785 ( 0.993 -4.983 2.165) 5.523 3.785 ( 0.993 4.983 2.165) 5.523 3.950 ( -1.165 -0.690 -2.789) 3.101 3.950 ( -1.165 0.690 -2.789) 3.101 4.245 ( -0.643 -2.789 -0.335) 2.881 4.245 ( -0.643 2.789 -0.335) 2.881 4.477 ( 0.806 -1.623 0.303) 1.837 4.477 ( 0.806 1.623 0.303) 1.837 4.810 ( 0.128 -4.063 0.569) 4.105 4.810 ( 0.128 4.063 0.569) 4.105 5.175 ( 3.090 -2.032 -1.125) 3.865 5.175 ( 3.090 2.032 -1.125) 3.865 5.292 ( 0.509 -1.818 -1.594) 2.471 5.292 ( 0.509 1.818 -1.594) 2.471 5.511 ( -0.410 -3.139 1.826) 3.654 5.511 ( -0.410 3.139 1.826) 3.654 5.785 ( -0.662 -3.350 -0.223) 3.422 5.785 ( -0.662 3.350 -0.223) 3.422 5.965 ( 0.208 -2.879 0.161) 2.891 5.965 ( 0.208 2.879 0.161) 2.891 6.129 ( -2.669 -1.841 0.019) 3.242 6.129 ( -2.669 1.841 0.019) 3.242 6.321 ( -0.963 -4.872 -1.298) 5.133 6.321 ( -0.963 4.872 -1.298) 5.133 6.932 ( 1.141 -3.450 3.035) 4.734 6.932 ( 1.141 3.450 3.035) 4.734 7.032 ( 0.606 -6.148 -0.821) 6.232 7.032 ( 0.606 6.148 -0.821) 6.232 10.238 ( 0.144 -0.341 -0.087) 0.380 10.238 ( 0.144 0.341 -0.087) 0.380 10.274 ( 0.367 -0.617 -0.549) 0.905 10.274 ( 0.367 0.617 -0.549) 0.905 10.489 ( 0.218 -1.821 0.994) 2.086 10.489 ( 0.218 1.821 0.994) 2.086 10.700 ( 1.802 -2.114 -3.544) 4.503 10.700 ( 1.802 2.114 -3.544) 4.503 11.092 ( -0.200 -0.480 -3.127) 3.170 11.092 ( -0.200 0.480 -3.127) 3.170 11.233 ( -0.886 -1.052 4.623) 4.823 11.233 ( -0.886 1.052 4.623) 4.823 11.655 ( -0.535 -1.100 -0.037) 1.224 11.655 ( -0.535 1.100 -0.037) 1.224 11.881 ( -0.745 -1.361 1.429) 2.109 11.881 ( -0.745 1.361 1.429) 2.109 ======================= Grid point 70 (33/64) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 1.382 0.000 10.922) 11.010 0.551 ( 1.264 0.000 10.460) 10.536 0.696 ( 1.951 0.000 7.693) 7.936 0.700 ( 1.015 0.000 1.563) 1.864 0.727 ( 0.058 0.000 -0.500) 0.503 0.735 ( -1.316 0.000 -0.271) 1.344 0.810 ( -0.988 0.000 1.189) 1.546 0.859 ( -3.036 0.000 -0.700) 3.116 0.901 ( 0.697 0.000 -2.382) 2.482 0.912 ( -4.570 0.000 -1.914) 4.955 0.952 ( -3.282 0.000 -1.911) 3.798 0.963 ( 1.891 0.000 0.758) 2.037 1.032 ( 0.834 0.000 -0.729) 1.108 1.037 ( -2.144 0.000 -2.898) 3.605 1.070 ( -1.491 0.000 0.441) 1.555 1.118 ( 7.604 0.000 -0.649) 7.631 1.193 ( 1.554 0.000 2.467) 2.916 1.225 ( 0.495 0.000 2.825) 2.868 1.227 ( 4.051 0.000 -0.639) 4.101 1.266 ( -0.560 0.000 0.571) 0.800 1.280 ( 0.849 0.000 0.574) 1.025 1.343 ( 0.069 0.000 5.214) 5.214 1.346 ( -0.668 0.000 0.540) 0.859 1.396 ( 0.106 0.000 -0.607) 0.616 1.398 ( -1.399 0.000 -1.954) 2.403 1.461 ( -0.953 0.000 -0.160) 0.966 1.518 ( 0.079 0.000 0.520) 0.526 1.566 ( -2.086 0.000 -2.764) 3.463 1.602 ( 0.646 0.000 2.086) 2.184 1.647 ( 0.638 0.000 0.204) 0.670 1.665 ( -1.883 0.000 3.518) 3.991 1.691 ( 1.618 0.000 0.709) 1.766 1.769 ( -0.219 0.000 -1.460) 1.476 1.871 ( 2.669 0.000 -7.278) 7.752 1.927 ( 0.272 0.000 3.972) 3.981 2.049 ( -2.888 0.000 -2.290) 3.685 2.319 ( 1.671 0.000 3.822) 4.171 2.403 ( 0.208 0.000 7.285) 7.288 2.488 ( -2.614 0.000 -5.176) 5.798 2.665 ( -0.160 0.000 -4.716) 4.718 2.695 ( -2.165 0.000 -0.369) 2.196 2.779 ( -1.682 0.000 -3.632) 4.002 2.904 ( -2.845 0.000 5.511) 6.202 2.979 ( 2.331 0.000 1.204) 2.623 2.997 ( 0.121 0.000 0.722) 0.732 3.109 ( -0.685 0.000 -6.163) 6.201 3.202 ( -0.424 0.000 0.889) 0.985 3.257 ( -2.950 0.000 -2.482) 3.855 3.313 ( 0.267 0.000 4.745) 4.753 3.343 ( 0.481 0.000 2.201) 2.253 3.402 ( 8.987 0.000 -1.023) 9.045 3.504 ( -3.294 0.000 -2.715) 4.268 3.633 ( 0.447 0.000 -0.156) 0.473 3.709 ( -0.787 0.000 -5.929) 5.981 3.935 ( -1.268 0.000 -0.577) 1.393 3.948 ( 2.480 0.000 -0.711) 2.580 4.329 ( -4.944 0.000 4.156) 6.459 4.411 ( 4.697 0.000 -0.676) 4.746 4.480 ( -0.732 0.000 4.522) 4.581 4.549 ( -2.477 0.000 1.098) 2.710 4.656 ( 2.902 0.000 5.484) 6.204 4.856 ( -2.065 0.000 -3.865) 4.382 5.209 ( 1.441 0.000 -0.321) 1.476 5.239 ( -1.036 0.000 1.133) 1.535 5.277 ( 3.148 0.000 -1.530) 3.500 5.305 ( -1.979 0.000 -1.571) 2.527 5.413 ( 3.490 0.000 -1.503) 3.800 5.482 ( -1.925 0.000 -1.716) 2.579 5.756 ( 0.260 0.000 1.960) 1.977 5.877 ( -0.853 0.000 -3.647) 3.745 5.990 ( 0.585 0.000 1.777) 1.871 6.057 ( 0.551 0.000 -1.636) 1.726 6.122 ( 0.634 0.000 5.520) 5.556 6.147 ( -8.899 0.000 7.349) 11.541 6.274 ( 4.839 0.000 -4.117) 6.353 6.508 ( 2.515 0.000 -8.517) 8.881 6.727 ( -1.675 0.000 0.082) 1.677 6.735 ( 2.197 0.000 0.214) 2.208 7.247 ( 1.753 0.000 0.979) 2.008 7.265 ( -0.144 0.000 -0.281) 0.316 10.207 ( -0.137 0.000 -0.110) 0.176 10.220 ( 0.288 0.000 -0.860) 0.907 10.245 ( -0.129 0.000 0.246) 0.278 10.255 ( -0.140 0.000 -0.147) 0.204 10.458 ( 0.380 0.000 1.108) 1.172 10.472 ( -0.584 0.000 0.083) 0.590 10.591 ( 0.556 0.000 1.135) 1.263 10.650 ( -0.516 0.000 -2.249) 2.308 11.020 ( -1.545 0.000 -1.870) 2.426 11.039 ( 0.351 0.000 -2.817) 2.838 11.278 ( -3.558 0.000 2.894) 4.586 11.303 ( 0.441 0.000 1.951) 2.001 11.684 ( 0.513 0.000 2.817) 2.864 11.821 ( 2.034 0.000 -4.068) 4.548 11.896 ( -1.984 0.000 2.848) 3.471 11.981 ( 6.225 0.000 -0.939) 6.295 ======================= Grid point 71 (34/64) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -6.066 0.000 12.439) 13.839 0.533 ( 2.877 0.000 9.579) 10.002 0.667 ( -3.380 0.000 1.129) 3.563 0.727 ( 0.977 0.000 -2.062) 2.282 0.761 ( 1.049 0.000 0.396) 1.122 0.773 ( -6.792 0.000 -2.997) 7.424 0.791 ( 1.065 0.000 0.276) 1.101 0.809 ( -1.745 0.000 -0.652) 1.863 0.819 ( 0.597 0.000 -0.455) 0.750 0.875 ( -3.348 0.000 -1.856) 3.828 0.905 ( -0.043 0.000 -1.095) 1.095 0.963 ( -3.427 0.000 -1.300) 3.665 1.011 ( 1.012 0.000 0.956) 1.392 1.015 ( -0.702 0.000 0.115) 0.711 1.061 ( 0.051 0.000 -1.441) 1.442 1.144 ( -4.198 0.000 -1.728) 4.540 1.162 ( -2.003 0.000 2.263) 3.022 1.258 ( 4.293 0.000 1.472) 4.539 1.267 ( 0.621 0.000 3.320) 3.378 1.285 ( 0.463 0.000 -1.738) 1.799 1.314 ( 1.114 0.000 -0.977) 1.482 1.337 ( -2.967 0.000 -3.088) 4.282 1.374 ( 2.407 0.000 5.964) 6.432 1.397 ( 1.551 0.000 1.784) 2.364 1.447 ( 1.419 0.000 0.537) 1.517 1.460 ( 5.030 0.000 -0.109) 5.031 1.512 ( -0.919 0.000 -1.262) 1.561 1.522 ( -2.238 0.000 -1.472) 2.679 1.611 ( -0.432 0.000 2.961) 2.993 1.662 ( 0.367 0.000 3.065) 3.087 1.665 ( 1.812 0.000 0.310) 1.839 1.721 ( 1.647 0.000 -0.979) 1.916 1.802 ( 3.339 0.000 -1.651) 3.725 1.914 ( 1.443 0.000 -5.654) 5.835 1.965 ( 1.784 0.000 4.641) 4.972 2.010 ( 0.083 0.000 -1.685) 1.687 2.348 ( 0.767 0.000 4.357) 4.424 2.419 ( 0.116 0.000 7.153) 7.154 2.456 ( 0.450 0.000 -5.776) 5.794 2.645 ( -0.892 0.000 -4.402) 4.491 2.665 ( -0.815 0.000 1.899) 2.067 2.742 ( -1.817 0.000 -3.297) 3.764 2.868 ( -1.030 0.000 5.726) 5.818 2.948 ( -3.855 0.000 -0.363) 3.872 3.005 ( 0.090 0.000 -0.499) 0.507 3.095 ( 0.323 0.000 -2.544) 2.565 3.189 ( -3.298 0.000 1.887) 3.800 3.256 ( 2.571 0.000 -0.759) 2.680 3.278 ( 0.899 0.000 1.303) 1.583 3.388 ( -5.765 0.000 -4.131) 7.092 3.414 ( 3.084 0.000 5.467) 6.277 3.564 ( 5.096 0.000 -4.444) 6.761 3.667 ( 2.507 0.000 -0.902) 2.664 3.712 ( 1.794 0.000 -3.016) 3.509 3.924 ( 0.263 0.000 -0.812) 0.854 3.996 ( 1.669 0.000 -1.425) 2.195 4.241 ( -3.623 0.000 3.265) 4.877 4.470 ( -0.621 0.000 5.389) 5.425 4.476 ( -3.413 0.000 0.959) 3.545 4.494 ( 1.954 0.000 0.442) 2.003 4.733 ( 4.062 0.000 4.691) 6.205 4.821 ( -0.886 0.000 -2.910) 3.042 5.180 ( -4.017 0.000 0.509) 4.049 5.194 ( -2.574 0.000 -2.120) 3.335 5.297 ( -0.060 0.000 -1.359) 1.360 5.314 ( -0.084 0.000 -0.993) 0.997 5.409 ( -2.468 0.000 -5.382) 5.921 5.435 ( -0.995 0.000 -1.823) 2.077 5.782 ( 2.739 0.000 1.962) 3.369 5.868 ( 0.604 0.000 -3.069) 3.128 5.970 ( -8.263 0.000 5.282) 9.807 6.030 ( 2.154 0.000 5.323) 5.743 6.117 ( 3.396 0.000 -2.113) 3.999 6.202 ( 5.620 0.000 5.169) 7.636 6.309 ( 0.099 0.000 -3.332) 3.333 6.573 ( 3.603 0.000 -6.794) 7.690 6.717 ( 1.462 0.000 -1.243) 1.919 6.783 ( 2.645 0.000 0.035) 2.645 7.203 ( -5.731 0.000 1.989) 6.067 7.229 ( -3.258 0.000 -0.760) 3.346 10.210 ( 0.460 0.000 -0.353) 0.580 10.226 ( 0.341 0.000 -0.710) 0.788 10.242 ( -0.266 0.000 0.427) 0.503 10.253 ( -0.046 0.000 -0.199) 0.205 10.459 ( -0.574 0.000 -0.011) 0.574 10.464 ( 0.038 0.000 1.102) 1.103 10.601 ( 0.182 0.000 1.131) 1.146 10.634 ( -0.640 0.000 -2.200) 2.291 10.995 ( -0.428 0.000 -0.457) 0.626 11.047 ( 0.671 0.000 -2.610) 2.695 11.258 ( 0.500 0.000 3.646) 3.680 11.313 ( 0.119 0.000 2.547) 2.550 11.684 ( -0.899 0.000 1.602) 1.837 11.807 ( -1.470 0.000 -4.533) 4.765 11.876 ( -0.073 0.000 2.817) 2.818 12.082 ( 2.480 0.000 -4.247) 4.918 ======================= Grid point 72 (35/64) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 4.152 0.000 5.204) 6.657 0.598 ( -2.855 0.000 3.766) 4.726 0.608 ( 0.890 0.000 8.086) 8.135 0.644 ( -2.125 0.000 -6.563) 6.899 0.691 ( -9.478 0.000 -4.232) 10.380 0.745 ( -1.768 0.000 -1.078) 2.071 0.761 ( 1.049 0.000 -1.878) 2.151 0.796 ( -0.251 0.000 -1.066) 1.095 0.806 ( 0.324 0.000 -1.697) 1.728 0.847 ( 1.224 0.000 -1.657) 2.060 0.912 ( -1.601 0.000 0.256) 1.621 0.931 ( 1.224 0.000 -1.159) 1.686 0.988 ( -1.364 0.000 0.599) 1.490 1.024 ( 0.176 0.000 1.837) 1.846 1.097 ( 2.982 0.000 0.559) 3.034 1.119 ( 1.575 0.000 -1.442) 2.135 1.124 ( -2.683 0.000 4.036) 4.847 1.247 ( -2.460 0.000 -2.001) 3.171 1.250 ( -1.963 0.000 0.132) 1.967 1.296 ( -1.204 0.000 -0.970) 1.546 1.312 ( -0.378 0.000 -1.991) 2.027 1.319 ( 0.164 0.000 -0.139) 0.215 1.417 ( 1.686 0.000 4.584) 4.884 1.441 ( -0.067 0.000 -3.126) 3.127 1.457 ( -1.459 0.000 0.073) 1.461 1.469 ( -0.517 0.000 0.140) 0.535 1.495 ( 2.714 0.000 3.435) 4.378 1.582 ( 3.523 0.000 0.606) 3.575 1.601 ( -0.408 0.000 3.762) 3.784 1.680 ( 0.425 0.000 2.728) 2.761 1.696 ( 1.535 0.000 -0.020) 1.535 1.742 ( -0.011 0.000 0.141) 0.142 1.866 ( 2.757 0.000 -2.102) 3.467 1.896 ( -1.887 0.000 -2.719) 3.309 1.974 ( -1.133 0.000 4.252) 4.400 2.052 ( 3.248 0.000 -2.144) 3.892 2.356 ( -0.779 0.000 3.820) 3.899 2.412 ( -1.590 0.000 6.638) 6.826 2.489 ( 3.225 0.000 -5.372) 6.265 2.631 ( 0.028 0.000 -4.059) 4.059 2.677 ( 1.779 0.000 2.615) 3.163 2.711 ( -0.432 0.000 -1.921) 1.969 2.886 ( 1.557 0.000 6.212) 6.404 2.890 ( -1.501 0.000 -2.644) 3.040 2.983 ( -1.647 0.000 -3.657) 4.011 3.113 ( -3.071 0.000 2.394) 3.894 3.114 ( 1.440 0.000 0.469) 1.515 3.268 ( -4.807 0.000 -5.965) 7.661 3.336 ( 2.996 0.000 3.610) 4.692 3.338 ( 4.400 0.000 1.422) 4.624 3.442 ( -1.133 0.000 4.779) 4.912 3.599 ( -0.178 0.000 -3.983) 3.987 3.711 ( 1.738 0.000 -1.331) 2.189 3.763 ( 2.833 0.000 -1.616) 3.262 3.941 ( 1.519 0.000 -0.941) 1.787 3.974 ( -3.406 0.000 -1.932) 3.915 4.236 ( 2.654 0.000 3.208) 4.164 4.372 ( -5.699 0.000 0.463) 5.718 4.470 ( -0.230 0.000 5.035) 5.040 4.545 ( 2.151 0.000 0.019) 2.151 4.804 ( 1.573 0.000 2.474) 2.931 4.823 ( 1.492 0.000 -0.791) 1.688 5.108 ( -1.978 0.000 2.425) 3.130 5.145 ( -2.099 0.000 -1.884) 2.820 5.252 ( -2.913 0.000 -5.171) 5.935 5.284 ( -1.940 0.000 -2.167) 2.908 5.393 ( -2.407 0.000 -3.993) 4.663 5.399 ( 0.561 0.000 -4.727) 4.761 5.809 ( -2.778 0.000 3.960) 4.837 5.900 ( 3.178 0.000 -3.588) 4.793 5.911 ( 3.392 0.000 3.872) 5.148 6.077 ( 1.964 0.000 7.205) 7.468 6.130 ( -1.982 0.000 -2.769) 3.405 6.299 ( -0.508 0.000 -2.275) 2.331 6.300 ( 2.706 0.000 5.949) 6.536 6.613 ( 1.551 0.000 -6.720) 6.897 6.770 ( 2.856 0.000 -0.287) 2.870 6.829 ( 1.353 0.000 -0.880) 1.614 7.080 ( -5.931 0.000 4.163) 7.247 7.160 ( -2.605 0.000 -1.371) 2.943 10.222 ( 0.616 0.000 -0.536) 0.817 10.228 ( -0.077 0.000 -0.543) 0.549 10.237 ( -0.227 0.000 0.545) 0.590 10.254 ( 0.201 0.000 -0.345) 0.399 10.454 ( 0.103 0.000 0.067) 0.123 10.460 ( -0.495 0.000 0.627) 0.799 10.599 ( -0.421 0.000 0.897) 0.991 10.628 ( 0.346 0.000 -1.682) 1.718 11.001 ( 0.918 0.000 -0.671) 1.137 11.054 ( 0.331 0.000 -2.825) 2.845 11.290 ( 2.243 0.000 3.195) 3.903 11.311 ( -0.624 0.000 2.795) 2.864 11.664 ( -0.951 0.000 0.809) 1.248 11.766 ( -2.214 0.000 -4.642) 5.142 11.896 ( 1.389 0.000 3.644) 3.900 12.072 ( -2.239 0.000 -2.914) 3.674 ======================= Grid point 73 (36/64) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -8.590 0.000 -0.866) 8.634 0.509 ( -4.312 0.000 5.841) 7.260 0.619 ( 7.010 0.000 0.218) 7.013 0.640 ( 2.857 0.000 -1.852) 3.405 0.704 ( 4.108 0.000 3.204) 5.209 0.743 ( 3.147 0.000 -2.194) 3.836 0.746 ( -1.245 0.000 2.017) 2.370 0.828 ( 2.148 0.000 -1.399) 2.564 0.833 ( 2.224 0.000 -3.656) 4.279 0.894 ( -0.022 0.000 -0.316) 0.317 0.905 ( 4.567 0.000 -3.403) 5.695 0.920 ( -0.516 0.000 -2.449) 2.502 1.002 ( 1.602 0.000 3.465) 3.817 1.023 ( -0.110 0.000 0.659) 0.668 1.059 ( -3.980 0.000 3.739) 5.461 1.130 ( -2.147 0.000 -1.750) 2.770 1.161 ( 2.673 0.000 2.287) 3.518 1.200 ( -2.828 0.000 0.073) 2.829 1.214 ( -0.561 0.000 0.765) 0.948 1.266 ( -2.004 0.000 -0.647) 2.105 1.312 ( 1.199 0.000 -2.313) 2.606 1.315 ( 0.974 0.000 -0.218) 0.998 1.386 ( -4.391 0.000 1.098) 4.526 1.430 ( -1.023 0.000 2.578) 2.774 1.441 ( 0.030 0.000 -2.034) 2.034 1.474 ( 0.472 0.000 1.235) 1.323 1.559 ( 2.212 0.000 2.277) 3.175 1.615 ( 1.188 0.000 2.789) 3.031 1.622 ( 0.629 0.000 -0.210) 0.663 1.656 ( -2.869 0.000 2.486) 3.796 1.711 ( -3.079 0.000 0.231) 3.088 1.721 ( 0.266 0.000 1.291) 1.318 1.857 ( -1.328 0.000 -3.740) 3.969 1.866 ( -2.471 0.000 -0.639) 2.552 1.966 ( -0.090 0.000 1.277) 1.280 2.103 ( 1.937 0.000 -1.692) 2.572 2.317 ( -3.017 0.000 3.481) 4.606 2.398 ( -0.605 0.000 6.159) 6.188 2.541 ( 2.053 0.000 -4.978) 5.385 2.637 ( 1.094 0.000 -4.215) 4.355 2.726 ( 2.312 0.000 0.753) 2.432 2.752 ( 5.287 0.000 3.043) 6.100 2.866 ( -1.229 0.000 -5.778) 5.907 2.893 ( -0.940 0.000 -0.194) 0.960 2.977 ( 0.546 0.000 3.482) 3.525 3.102 ( 2.038 0.000 2.728) 3.405 3.146 ( 1.077 0.000 1.600) 1.928 3.188 ( -1.190 0.000 -6.221) 6.334 3.363 ( -1.615 0.000 1.916) 2.506 3.397 ( -2.751 0.000 5.117) 5.810 3.422 ( 2.931 0.000 0.584) 2.988 3.552 ( -3.900 0.000 -3.335) 5.132 3.712 ( -1.580 0.000 -0.394) 1.628 3.801 ( 0.769 0.000 -3.369) 3.455 3.908 ( -1.899 0.000 -1.179) 2.235 3.973 ( 1.199 0.000 -0.725) 1.401 4.291 ( -1.593 0.000 -0.930) 1.844 4.321 ( 4.896 0.000 4.456) 6.620 4.465 ( -1.017 0.000 4.309) 4.427 4.574 ( 0.876 0.000 -0.177) 0.893 4.757 ( -5.795 0.000 1.530) 5.993 4.873 ( 3.109 0.000 -0.194) 3.115 5.113 ( -0.590 0.000 0.907) 1.082 5.137 ( 2.391 0.000 1.103) 2.633 5.238 ( 4.266 0.000 -2.084) 4.748 5.265 ( 0.843 0.000 -5.138) 5.206 5.345 ( -1.829 0.000 -2.974) 3.491 5.391 ( -0.811 0.000 -3.848) 3.932 5.764 ( -1.749 0.000 3.738) 4.126 5.962 ( 2.005 0.000 -3.882) 4.370 5.990 ( 2.544 0.000 4.753) 5.391 6.072 ( -1.154 0.000 -4.318) 4.470 6.118 ( 0.988 0.000 6.233) 6.310 6.267 ( -3.119 0.000 -2.925) 4.276 6.321 ( -0.753 0.000 7.025) 7.065 6.601 ( -2.383 0.000 -7.886) 8.238 6.784 ( -1.301 0.000 1.588) 2.053 6.795 ( -4.375 0.000 -1.368) 4.584 7.049 ( 2.726 0.000 5.030) 5.721 7.167 ( 3.195 0.000 -1.143) 3.393 10.223 ( -0.309 0.000 -0.535) 0.618 10.223 ( -0.374 0.000 -0.132) 0.397 10.240 ( 0.393 0.000 0.052) 0.397 10.258 ( 0.147 0.000 -0.320) 0.353 10.452 ( -0.352 0.000 0.440) 0.563 10.463 ( 0.736 0.000 0.249) 0.777 10.589 ( -0.620 0.000 0.699) 0.934 10.640 ( 0.954 0.000 -1.500) 1.778 11.021 ( 1.081 0.000 -1.254) 1.656 11.051 ( -0.196 0.000 -3.147) 3.154 11.300 ( -0.655 0.000 2.345) 2.435 11.347 ( 2.892 0.000 2.035) 3.536 11.656 ( 0.027 0.000 1.619) 1.620 11.712 ( -2.438 0.000 -3.133) 3.970 11.924 ( 0.686 0.000 4.064) 4.122 12.012 ( -3.285 0.000 -1.754) 3.724 ======================= Grid point 74 (37/64) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 4.913 0.000 11.471) 12.478 0.462 ( -1.330 0.000 9.402) 9.496 0.677 ( 1.063 0.000 0.756) 1.305 0.702 ( 0.528 0.000 0.403) 0.664 0.732 ( -0.240 0.000 0.981) 1.010 0.762 ( -0.100 0.000 0.871) 0.876 0.838 ( 5.238 0.000 2.080) 5.636 0.860 ( -1.325 0.000 -0.343) 1.369 0.898 ( -0.177 0.000 -4.124) 4.128 0.907 ( 1.304 0.000 -1.440) 1.942 0.923 ( 8.134 0.000 -4.237) 9.171 0.970 ( 0.456 0.000 -0.616) 0.767 1.014 ( 0.010 0.000 0.951) 0.951 1.024 ( -1.691 0.000 -1.192) 2.069 1.054 ( 3.714 0.000 5.623) 6.739 1.072 ( -0.858 0.000 -1.187) 1.464 1.154 ( -0.732 0.000 -0.027) 0.733 1.180 ( -1.818 0.000 0.248) 1.835 1.213 ( 1.598 0.000 2.953) 3.357 1.254 ( 0.722 0.000 0.447) 0.849 1.309 ( -3.219 0.000 -0.391) 3.243 1.336 ( 0.454 0.000 2.923) 2.958 1.355 ( 2.292 0.000 -0.826) 2.436 1.402 ( -1.280 0.000 1.251) 1.790 1.431 ( -1.574 0.000 -0.889) 1.808 1.471 ( -0.634 0.000 0.186) 0.661 1.572 ( -4.587 0.000 1.258) 4.757 1.584 ( 0.552 0.000 -0.496) 0.742 1.621 ( -2.244 0.000 -0.323) 2.267 1.634 ( 0.286 0.000 0.526) 0.599 1.665 ( 0.218 0.000 2.650) 2.659 1.706 ( -2.008 0.000 3.219) 3.794 1.806 ( -3.006 0.000 -0.736) 3.094 1.845 ( 0.865 0.000 -7.071) 7.123 1.948 ( -1.843 0.000 1.378) 2.301 2.104 ( -1.852 0.000 -1.696) 2.512 2.290 ( 0.227 0.000 3.251) 3.259 2.397 ( -0.354 0.000 6.728) 6.737 2.541 ( -1.394 0.000 -5.699) 5.867 2.658 ( 1.295 0.000 -3.909) 4.118 2.735 ( -1.259 0.000 -2.381) 2.693 2.822 ( -2.181 0.000 -5.476) 5.895 2.905 ( 8.280 0.000 3.738) 9.085 2.909 ( 2.288 0.000 2.768) 3.591 2.964 ( -1.945 0.000 4.020) 4.466 3.128 ( -0.754 0.000 -6.576) 6.619 3.179 ( 3.947 0.000 3.520) 5.288 3.247 ( 5.685 0.000 0.389) 5.698 3.298 ( -2.827 0.000 -0.162) 2.832 3.371 ( -6.462 0.000 -3.278) 7.246 3.371 ( -1.752 0.000 4.893) 5.197 3.526 ( 0.859 0.000 0.451) 0.970 3.661 ( -2.916 0.000 -0.135) 2.919 3.763 ( -3.138 0.000 -7.296) 7.942 3.912 ( 1.399 0.000 0.082) 1.401 3.966 ( -1.494 0.000 -0.243) 1.513 4.321 ( 4.090 0.000 -1.423) 4.330 4.391 ( -0.669 0.000 5.901) 5.939 4.461 ( 1.556 0.000 3.096) 3.465 4.577 ( -0.591 0.000 0.146) 0.609 4.651 ( -3.905 0.000 4.286) 5.798 4.896 ( -0.967 0.000 -2.976) 3.129 5.160 ( 5.022 0.000 4.374) 6.660 5.169 ( 2.040 0.000 -2.062) 2.900 5.281 ( -0.240 0.000 -3.435) 3.443 5.339 ( 2.898 0.000 -3.971) 4.916 5.347 ( -0.878 0.000 -0.768) 1.166 5.407 ( 7.784 0.000 -0.524) 7.802 5.750 ( -0.175 0.000 2.798) 2.804 5.921 ( -3.335 0.000 -3.765) 5.030 6.005 ( -1.229 0.000 3.741) 3.938 6.120 ( -1.108 0.000 6.413) 6.508 6.126 ( 0.378 0.000 -2.369) 2.399 6.172 ( -0.844 0.000 -5.346) 5.412 6.285 ( -4.827 0.000 6.758) 8.305 6.526 ( -2.849 0.000 -8.372) 8.844 6.721 ( -1.610 0.000 -0.827) 1.810 6.759 ( -1.435 0.000 0.907) 1.697 7.153 ( 6.156 0.000 4.408) 7.571 7.236 ( 3.049 0.000 -0.473) 3.086 10.214 ( -0.466 0.000 0.035) 0.467 10.219 ( -0.033 0.000 -0.839) 0.840 10.245 ( 0.126 0.000 0.074) 0.146 10.258 ( -0.082 0.000 -0.228) 0.242 10.451 ( 0.171 0.000 0.749) 0.768 10.475 ( 0.276 0.000 0.296) 0.405 10.583 ( 0.005 0.000 0.806) 0.806 10.653 ( 0.463 0.000 -1.857) 1.914 11.035 ( 0.364 0.000 -2.055) 2.087 11.042 ( -0.226 0.000 -3.148) 3.156 11.296 ( -0.018 0.000 1.878) 1.879 11.362 ( -2.835 0.000 -0.856) 2.962 11.667 ( 0.701 0.000 2.624) 2.716 11.717 ( 4.682 0.000 0.946) 4.776 11.925 ( -1.113 0.000 3.769) 3.930 11.954 ( -2.019 0.000 -0.952) 2.232 ======================= Grid point 75 (38/64) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.288 4.908 7.916) 9.319 0.573 ( 2.193 2.554 8.769) 9.393 0.677 ( 0.187 -0.745 1.985) 2.128 0.692 ( -1.216 -2.309 -0.059) 2.610 0.731 ( 2.583 1.024 1.044) 2.968 0.761 ( 0.064 2.507 2.309) 3.409 0.821 ( -2.396 1.394 1.921) 3.373 0.874 ( -1.765 0.268 0.195) 1.796 0.916 ( -0.801 1.732 -0.897) 2.109 0.927 ( -2.013 2.533 -1.396) 3.523 0.974 ( -1.291 1.570 -1.961) 2.824 0.986 ( -0.177 1.751 1.565) 2.355 1.002 ( 1.109 -0.617 -1.403) 1.891 1.063 ( -0.991 1.126 -2.295) 2.742 1.084 ( 6.468 -1.360 -0.673) 6.643 1.106 ( -2.165 1.888 -0.791) 2.980 1.186 ( 1.412 -1.137 1.789) 2.547 1.208 ( 0.731 -1.926 1.425) 2.505 1.224 ( 1.889 -0.234 -0.497) 1.967 1.255 ( 0.231 -1.203 0.428) 1.297 1.288 ( 1.442 1.082 1.639) 2.436 1.349 ( 1.863 -0.357 -0.042) 1.897 1.358 ( -0.426 1.032 3.015) 3.216 1.368 ( -1.230 0.172 -0.219) 1.261 1.417 ( -0.621 -0.129 -1.062) 1.237 1.464 ( -0.815 0.161 0.376) 0.912 1.519 ( 0.549 -0.277 0.146) 0.632 1.541 ( -3.068 -1.321 -0.926) 3.466 1.605 ( 0.339 -1.342 3.150) 3.440 1.621 ( 0.083 -0.063 1.874) 1.877 1.675 ( 0.693 0.703 -0.898) 1.334 1.730 ( 0.449 2.327 1.571) 2.844 1.740 ( -0.722 -1.761 -1.753) 2.587 1.881 ( 1.549 0.530 -4.252) 4.557 1.943 ( 1.364 1.564 2.177) 3.008 2.065 ( -2.683 1.197 -2.853) 4.095 2.288 ( 1.761 -2.726 3.027) 4.438 2.431 ( 0.125 1.316 2.327) 2.676 2.473 ( -1.779 -0.923 -4.212) 4.665 2.623 ( -0.283 -3.308 -3.146) 4.574 2.718 ( -1.676 1.298 -2.409) 3.209 2.783 ( -2.251 0.172 -3.837) 4.452 2.891 ( -2.498 -1.383 5.443) 6.147 2.979 ( 1.486 -0.734 0.616) 1.768 2.989 ( 0.906 0.134 1.424) 1.693 3.119 ( -1.163 1.092 -5.347) 5.580 3.203 ( -0.772 0.073 1.885) 2.039 3.224 ( -0.894 -2.989 1.232) 3.354 3.273 ( 3.312 -2.841 0.832) 4.443 3.343 ( -0.575 0.593 -1.542) 1.750 3.423 ( 2.332 0.699 0.646) 2.519 3.496 ( -0.233 -1.147 -2.673) 2.918 3.659 ( -0.294 3.110 0.909) 3.253 3.752 ( -1.083 3.714 -4.264) 5.758 3.924 ( -0.208 -0.600 -0.268) 0.689 3.957 ( 2.066 0.666 -1.422) 2.595 4.287 ( -2.205 -4.134 3.970) 6.141 4.381 ( 2.428 -2.910 -0.749) 3.863 4.482 ( -1.217 0.392 3.566) 3.788 4.549 ( -1.888 -0.590 1.002) 2.217 4.683 ( 2.348 2.526 4.313) 5.522 4.861 ( -1.992 0.048 -4.439) 4.866 5.201 ( -0.487 -1.443 0.449) 1.588 5.217 ( 1.398 -0.414 -0.383) 1.507 5.277 ( 3.272 0.462 0.960) 3.441 5.338 ( -1.559 2.053 -2.435) 3.546 5.408 ( 2.634 -0.316 1.608) 3.102 5.516 ( -2.909 3.039 -3.493) 5.468 5.761 ( 0.462 0.473 1.301) 1.459 5.854 ( -0.622 -2.087 -2.800) 3.548 5.994 ( 0.927 -0.186 1.216) 1.540 6.039 ( -1.432 -2.425 1.763) 3.322 6.091 ( -0.047 -2.422 4.683) 5.272 6.130 ( -3.704 -0.456 1.803) 4.145 6.249 ( 2.330 -2.154 -2.244) 3.887 6.463 ( 3.221 -4.376 -7.105) 8.944 6.769 ( -0.577 4.742 1.026) 4.885 6.805 ( 0.653 5.874 -0.565) 5.937 7.196 ( 0.642 -4.709 2.648) 5.440 7.236 ( 0.083 -3.149 -0.365) 3.171 10.213 ( -0.247 0.543 -0.099) 0.605 10.226 ( 0.277 0.440 -0.833) 0.982 10.251 ( -0.159 0.591 0.333) 0.697 10.274 ( 0.083 1.207 -0.790) 1.445 10.470 ( 0.035 0.499 0.503) 0.709 10.496 ( -0.042 3.423 -1.165) 3.617 10.581 ( 0.347 -0.985 1.429) 1.770 10.656 ( -0.400 0.395 -2.719) 2.776 11.021 ( -1.365 0.047 -1.855) 2.303 11.036 ( 0.272 -0.274 -2.746) 2.773 11.278 ( -2.671 0.006 3.197) 4.166 11.304 ( 0.125 -0.022 1.952) 1.956 11.682 ( 0.496 -0.126 2.437) 2.490 11.796 ( 2.699 -2.529 -2.945) 4.728 11.890 ( -1.719 -0.512 2.536) 3.106 11.950 ( 3.681 -2.547 0.383) 4.492 ======================= Grid point 76 (39/64) ======================= q-point: ( 0.20 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -5.142 2.772 9.854) 11.455 0.577 ( 1.283 3.952 6.203) 7.465 0.658 ( -2.401 -0.248 1.154) 2.675 0.690 ( -0.181 -3.440 -0.579) 3.493 0.764 ( -3.639 -0.374 -2.907) 4.673 0.775 ( 0.587 1.956 0.244) 2.057 0.800 ( 0.512 0.978 0.642) 1.277 0.827 ( -1.487 0.914 -0.356) 1.782 0.868 ( -2.791 4.205 -1.038) 5.152 0.895 ( -3.471 2.054 -2.114) 4.554 0.924 ( 0.096 1.254 0.251) 1.282 0.957 ( -3.415 0.102 -1.394) 3.690 1.017 ( -1.786 0.438 -0.855) 2.028 1.032 ( 1.038 1.682 1.046) 2.236 1.084 ( -0.288 1.679 -1.666) 2.382 1.136 ( -2.412 -1.031 -0.784) 2.738 1.155 ( -1.490 -0.034 1.983) 2.481 1.232 ( 4.150 -2.377 1.769) 5.099 1.245 ( 0.497 -1.533 -0.052) 1.612 1.282 ( 0.166 -0.881 -1.626) 1.857 1.312 ( -0.816 0.323 -0.518) 1.019 1.359 ( -0.365 0.899 -1.684) 1.944 1.377 ( 1.121 0.220 4.014) 4.174 1.399 ( 2.447 0.705 1.659) 3.039 1.447 ( 2.180 -1.497 1.592) 3.087 1.459 ( 2.400 -0.271 0.507) 2.468 1.482 ( -1.573 0.235 -2.706) 3.139 1.551 ( 1.005 1.119 0.642) 1.636 1.605 ( -0.661 0.268 1.877) 2.009 1.637 ( 1.711 -2.168 2.258) 3.568 1.686 ( 0.390 0.580 -0.205) 0.729 1.730 ( 1.166 1.355 1.387) 2.262 1.788 ( 3.682 -0.697 -1.648) 4.094 1.919 ( 2.303 -0.198 -3.157) 3.913 1.979 ( 0.649 1.716 2.103) 2.791 2.023 ( -0.631 1.077 -1.420) 1.890 2.335 ( 2.398 -1.461 2.897) 4.034 2.430 ( 0.549 -1.277 -2.419) 2.789 2.455 ( -0.537 1.546 0.373) 1.678 2.615 ( 0.065 -2.153 -2.127) 3.027 2.685 ( -1.391 1.193 -0.271) 1.852 2.733 ( -1.931 -0.501 -3.188) 3.761 2.855 ( -1.551 -1.078 5.659) 5.966 2.960 ( -2.253 0.561 0.626) 2.404 3.014 ( 0.840 1.022 -0.421) 1.389 3.082 ( -1.002 -1.028 -2.509) 2.891 3.168 ( -3.482 -1.737 -0.034) 3.891 3.240 ( 2.987 -1.311 3.122) 4.515 3.316 ( 0.523 2.350 -0.482) 2.455 3.357 ( -0.555 -1.267 -1.472) 2.020 3.388 ( -0.658 -3.041 -1.684) 3.538 3.562 ( 3.841 -0.593 -1.242) 4.080 3.670 ( 1.356 1.775 0.820) 2.379 3.760 ( 2.002 3.644 -2.159) 4.685 3.921 ( 0.160 -0.162 -0.720) 0.756 3.999 ( 1.302 -0.039 -2.183) 2.542 4.231 ( -2.279 -0.917 2.796) 3.722 4.443 ( 1.669 -3.156 1.240) 3.780 4.461 ( 0.020 -1.572 1.592) 2.238 4.489 ( -4.125 0.007 2.332) 4.738 4.746 ( 3.289 1.099 3.821) 5.160 4.818 ( -1.510 -0.483 -3.383) 3.736 5.167 ( -2.488 -0.624 -0.519) 2.617 5.215 ( -2.610 1.598 0.992) 3.217 5.303 ( -0.726 -1.867 -2.517) 3.217 5.318 ( 0.543 1.918 -1.973) 2.804 5.395 ( -2.918 -0.610 -0.973) 3.136 5.461 ( -2.085 2.627 -3.237) 4.661 5.786 ( 2.299 0.388 1.672) 2.869 5.855 ( 1.270 -1.051 -2.603) 3.081 5.958 ( -5.631 -1.233 4.142) 7.098 6.031 ( 1.778 0.341 4.516) 4.866 6.147 ( 2.069 0.942 -0.723) 2.386 6.149 ( 5.109 -2.871 3.272) 6.712 6.269 ( 1.581 -3.911 -2.578) 4.944 6.540 ( 3.706 -3.936 -6.953) 8.808 6.759 ( 0.332 4.583 -0.292) 4.604 6.834 ( 2.050 4.687 0.287) 5.124 7.155 ( -4.777 -4.527 3.088) 7.269 7.205 ( -2.955 -2.618 -0.754) 4.019 10.210 ( 0.099 0.111 -0.377) 0.405 10.229 ( -0.059 0.167 -0.461) 0.493 10.248 ( -0.082 0.731 0.273) 0.784 10.272 ( -0.169 1.318 -0.578) 1.449 10.463 ( -0.545 0.541 0.455) 0.893 10.493 ( -0.400 2.781 -0.425) 2.841 10.589 ( 0.326 -0.926 1.043) 1.433 10.643 ( -0.467 0.614 -2.430) 2.549 10.999 ( -0.320 0.429 -0.644) 0.838 11.043 ( 0.646 -0.387 -2.512) 2.623 11.262 ( 0.418 0.453 3.581) 3.634 11.311 ( 0.057 -0.243 2.571) 2.583 11.682 ( -0.814 -0.092 1.241) 1.487 11.792 ( -1.324 -1.603 -4.160) 4.651 11.875 ( 0.082 -0.049 2.675) 2.677 12.031 ( 2.696 -4.636 -1.800) 5.657 ======================= Grid point 77 (40/64) ======================= q-point: ( 0.40 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 2.428 2.533 6.492) 7.380 0.584 ( -2.318 -1.109 1.241) 2.854 0.611 ( -3.178 -0.619 -0.450) 3.268 0.660 ( 0.202 2.200 -1.410) 2.621 0.714 ( -0.966 -1.860 -1.083) 2.360 0.737 ( -6.348 3.045 -0.827) 7.089 0.786 ( -0.799 1.586 -2.386) 2.975 0.795 ( -1.164 0.944 -0.632) 1.626 0.814 ( 0.698 0.515 -1.839) 2.034 0.865 ( 0.493 2.353 -1.344) 2.754 0.900 ( -1.306 -0.374 0.243) 1.380 0.939 ( 0.281 -0.018 -0.828) 0.874 0.987 ( -1.340 -0.002 0.823) 1.572 1.043 ( -0.247 1.294 0.417) 1.381 1.082 ( 1.506 -0.560 -0.067) 1.608 1.125 ( -1.671 0.078 3.310) 3.709 1.149 ( 1.974 2.053 0.552) 2.901 1.231 ( -1.768 -0.670 -1.251) 2.268 1.261 ( -1.068 -1.010 -0.950) 1.750 1.282 ( -0.168 0.054 -1.511) 1.521 1.313 ( 0.509 -0.182 -0.253) 0.597 1.345 ( -0.629 1.691 -0.857) 1.998 1.361 ( -1.060 -2.810 1.627) 3.416 1.432 ( -0.485 -1.539 -1.363) 2.112 1.468 ( -0.127 -0.714 1.962) 2.092 1.479 ( 0.710 1.550 -0.271) 1.726 1.506 ( 2.391 1.115 2.144) 3.400 1.580 ( 1.776 -0.345 1.304) 2.230 1.601 ( 0.024 -0.187 2.462) 2.469 1.675 ( 0.247 -1.871 -1.484) 2.401 1.698 ( 1.631 1.552 3.744) 4.369 1.758 ( 0.721 1.795 1.033) 2.194 1.853 ( 2.571 -1.006 -1.099) 2.972 1.922 ( -1.629 2.110 -2.417) 3.598 1.976 ( -1.069 0.351 3.390) 3.571 2.039 ( 2.373 -1.187 -1.732) 3.168 2.368 ( -0.109 0.800 2.274) 2.413 2.423 ( -1.568 1.010 4.034) 4.444 2.473 ( 2.933 -1.600 -4.879) 5.914 2.616 ( 0.235 -1.480 -3.173) 3.509 2.680 ( 1.118 -0.020 1.676) 2.015 2.715 ( 0.693 0.854 -1.095) 1.551 2.852 ( 0.412 -1.170 3.651) 3.856 2.929 ( -0.712 1.758 -0.499) 1.961 3.008 ( -0.988 2.583 -3.034) 4.105 3.085 ( 0.370 -2.169 1.357) 2.586 3.097 ( -1.950 -2.501 0.398) 3.196 3.256 ( -4.412 -0.738 -3.270) 5.541 3.332 ( 1.777 -0.769 3.140) 3.689 3.347 ( 3.733 0.517 1.582) 4.087 3.416 ( 0.789 -1.598 -0.530) 1.860 3.595 ( -0.321 -0.840 -1.798) 2.010 3.704 ( 1.431 0.986 1.661) 2.404 3.805 ( 2.467 3.007 -1.560) 4.191 3.928 ( 0.665 -0.939 -0.787) 1.394 3.973 ( -3.047 -0.506 -2.720) 4.115 4.246 ( 3.177 1.152 2.188) 4.026 4.370 ( -5.589 -0.256 0.294) 5.602 4.448 ( -1.271 -2.277 4.486) 5.189 4.511 ( 2.588 -3.304 -0.953) 4.304 4.808 ( 1.572 0.031 2.054) 2.587 4.810 ( 1.432 -1.215 -0.572) 1.963 5.109 ( -2.711 0.471 0.108) 2.753 5.162 ( -2.105 1.014 0.136) 2.341 5.267 ( -0.775 -0.434 -5.367) 5.440 5.294 ( -3.379 3.089 -0.804) 4.649 5.380 ( 0.580 -1.338 -3.211) 3.527 5.408 ( -1.653 1.141 -4.286) 4.733 5.803 ( -2.070 -0.491 3.252) 3.886 5.884 ( 2.001 -1.384 -2.292) 3.343 5.935 ( 3.256 2.035 3.261) 5.037 6.073 ( 2.021 0.054 5.802) 6.144 6.137 ( -2.349 -0.424 -1.214) 2.678 6.226 ( 1.787 -2.718 2.209) 3.932 6.323 ( 2.306 -1.170 0.192) 2.593 6.566 ( 0.370 -4.730 -6.382) 7.952 6.792 ( 2.324 2.622 0.663) 3.566 6.867 ( 0.633 3.372 -0.838) 3.531 7.056 ( -4.528 -2.281 4.052) 6.490 7.142 ( -2.332 -1.915 -1.420) 3.335 10.217 ( 0.564 -0.323 -0.578) 0.870 10.222 ( -0.396 -0.406 -0.311) 0.647 10.249 ( 0.091 1.038 0.287) 1.081 10.268 ( -0.166 1.078 -0.378) 1.154 10.455 ( -0.385 0.490 0.849) 1.053 10.484 ( -0.211 1.949 -0.476) 2.017 10.594 ( -0.087 -0.348 0.850) 0.923 10.637 ( 0.251 0.687 -2.024) 2.152 11.006 ( 0.883 0.457 -0.825) 1.292 11.051 ( 0.379 -0.346 -2.688) 2.736 11.291 ( 1.920 0.030 3.135) 3.676 11.309 ( -0.585 -0.243 2.756) 2.828 11.664 ( -0.889 0.049 0.609) 1.079 11.753 ( -2.124 -1.344 -4.146) 4.849 11.895 ( 1.256 -0.077 3.376) 3.603 12.038 ( -1.335 -3.338 -1.711) 3.981 ======================= Grid point 78 (41/64) ======================= q-point: (-0.40 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -7.051 0.650 0.420) 7.093 0.562 ( 3.149 -0.608 -0.702) 3.283 0.601 ( -1.856 2.999 4.437) 5.668 0.636 ( 3.737 -0.166 -0.333) 3.756 0.708 ( 1.874 -1.143 -1.401) 2.604 0.743 ( 2.835 3.279 2.715) 5.114 0.776 ( 0.732 1.310 -0.107) 1.505 0.800 ( 1.873 -1.650 -2.166) 3.305 0.835 ( 1.494 0.212 -1.705) 2.277 0.892 ( 1.262 -0.414 -1.056) 1.697 0.925 ( 0.639 1.473 -4.506) 4.784 0.931 ( 3.580 1.170 -0.783) 3.847 0.982 ( 0.369 -1.523 2.915) 3.309 1.037 ( -0.180 1.048 -0.299) 1.105 1.078 ( -3.069 1.527 3.005) 4.558 1.110 ( 0.090 -0.940 1.297) 1.605 1.184 ( -0.378 1.452 -0.235) 1.518 1.190 ( -0.668 -0.137 1.687) 1.819 1.247 ( 0.066 0.022 -0.845) 0.848 1.259 ( -2.441 1.257 0.388) 2.773 1.301 ( -0.595 -0.637 -2.528) 2.674 1.327 ( 1.035 0.340 0.540) 1.216 1.377 ( -1.465 -1.980 0.596) 2.534 1.397 ( -0.866 0.340 0.823) 1.242 1.456 ( -0.690 -0.144 -0.149) 0.720 1.481 ( -0.318 0.501 0.835) 1.024 1.565 ( 2.281 0.595 1.604) 2.852 1.590 ( -0.527 -2.426 2.777) 3.725 1.614 ( 0.114 -0.679 0.339) 0.767 1.651 ( -1.870 -0.942 -1.008) 2.324 1.717 ( -0.799 0.892 2.720) 2.972 1.749 ( -1.579 2.726 1.346) 3.425 1.854 ( -2.613 -0.646 0.102) 2.693 1.886 ( -1.157 2.157 -3.176) 4.010 1.958 ( -0.691 -0.407 1.698) 1.878 2.092 ( 2.554 -1.478 -1.531) 3.324 2.324 ( -3.693 0.695 2.008) 4.261 2.416 ( -0.056 1.648 3.945) 4.275 2.517 ( 1.634 -2.393 -4.324) 5.205 2.620 ( 0.561 -1.918 -3.890) 4.373 2.743 ( 4.029 0.733 0.947) 4.203 2.753 ( 3.743 0.515 1.399) 4.029 2.856 ( -0.527 0.341 -1.021) 1.199 2.910 ( -0.872 1.157 -2.219) 2.650 2.985 ( -1.454 0.531 1.467) 2.132 3.093 ( 2.947 -1.916 2.386) 4.249 3.131 ( 2.380 -2.588 1.420) 3.792 3.172 ( -2.836 0.882 -4.573) 5.453 3.342 ( -1.007 -1.319 2.745) 3.208 3.379 ( -1.551 -1.492 0.406) 2.190 3.459 ( 3.634 2.320 1.791) 4.669 3.540 ( -4.902 -1.311 -3.588) 6.214 3.708 ( -1.306 0.940 1.703) 2.343 3.843 ( 1.225 3.032 -2.198) 3.940 3.907 ( -2.202 0.036 -2.012) 2.983 3.951 ( 0.990 -2.112 -0.964) 2.524 4.266 ( -2.306 -1.413 1.113) 2.925 4.352 ( 4.836 2.026 1.423) 5.434 4.428 ( -1.346 -3.665 3.718) 5.391 4.549 ( 1.402 -2.631 -0.752) 3.074 4.778 ( -4.664 1.669 1.113) 5.077 4.861 ( 3.179 -1.342 0.110) 3.452 5.097 ( 0.938 -0.904 0.898) 1.582 5.146 ( 1.110 0.535 -0.735) 1.435 5.235 ( -1.482 -0.431 -2.501) 2.939 5.291 ( 2.584 2.071 -1.123) 3.497 5.353 ( 0.099 1.960 -3.880) 4.348 5.422 ( 1.622 1.956 -3.991) 4.731 5.763 ( -1.752 0.047 3.316) 3.751 5.932 ( 1.892 -2.942 -3.184) 4.730 5.979 ( -0.133 -0.637 4.255) 4.305 6.100 ( 0.365 1.679 -1.910) 2.569 6.117 ( 1.020 0.536 4.666) 4.806 6.231 ( -1.212 -2.946 0.799) 3.285 6.301 ( -4.751 -2.005 2.623) 5.786 6.546 ( -1.950 -5.170 -6.327) 8.401 6.811 ( -0.694 2.639 0.944) 2.888 6.836 ( -3.041 3.729 -0.532) 4.841 7.042 ( 2.779 -0.920 4.283) 5.188 7.146 ( 2.654 -2.221 -1.318) 3.703 10.214 ( -0.189 -0.348 -0.406) 0.567 10.230 ( 0.478 -0.119 -0.652) 0.817 10.249 ( -0.127 1.031 0.255) 1.069 10.266 ( 0.074 0.723 -0.233) 0.764 10.451 ( -0.023 0.403 0.910) 0.995 10.489 ( 0.670 2.150 -0.602) 2.331 10.585 ( -0.748 -0.285 0.815) 1.142 10.647 ( 0.915 0.575 -1.950) 2.230 11.024 ( 0.986 0.295 -1.397) 1.735 11.049 ( -0.143 -0.208 -3.013) 3.024 11.299 ( -0.613 -0.120 2.411) 2.491 11.338 ( 2.211 -0.905 2.166) 3.225 11.656 ( -0.002 0.001 1.421) 1.421 11.704 ( -2.114 -0.846 -2.587) 3.447 11.919 ( 0.507 -0.463 3.645) 3.709 11.993 ( -2.665 -1.826 -1.195) 3.445 ======================= Grid point 79 (42/64) ======================= q-point: (-0.20 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 5.092 2.462 9.935) 11.432 0.543 ( -1.589 6.871 6.388) 9.515 0.645 ( 2.487 -2.963 1.030) 4.003 0.708 ( 1.501 0.152 -0.886) 1.750 0.721 ( -0.496 -0.459 0.829) 1.070 0.775 ( -0.603 1.069 1.094) 1.644 0.842 ( 4.237 0.461 2.887) 5.148 0.859 ( 1.991 -0.365 -2.156) 2.957 0.891 ( 6.511 -0.887 -1.721) 6.792 0.919 ( 0.395 2.072 -2.876) 3.567 0.920 ( 1.287 0.833 -0.284) 1.559 0.981 ( 0.644 -1.634 -1.478) 2.296 1.009 ( -1.262 -0.093 0.209) 1.283 1.033 ( -1.560 2.226 1.698) 3.205 1.052 ( 3.712 1.349 -1.351) 4.174 1.110 ( 1.852 0.890 1.619) 2.616 1.153 ( -1.450 1.200 1.664) 2.513 1.201 ( -2.492 1.324 -0.477) 2.862 1.208 ( 0.776 -0.790 1.557) 1.911 1.255 ( 0.869 0.781 0.064) 1.170 1.297 ( -2.081 -1.936 -0.458) 2.878 1.327 ( 0.269 -0.860 0.297) 0.948 1.356 ( 0.712 1.192 2.783) 3.110 1.403 ( -0.490 0.108 0.774) 0.922 1.429 ( -1.499 -0.314 -1.425) 2.091 1.473 ( -0.546 0.119 0.408) 0.692 1.556 ( -2.987 -1.824 0.643) 3.559 1.596 ( -0.609 -1.708 0.111) 1.817 1.606 ( -0.909 -1.812 1.893) 2.774 1.610 ( -0.591 2.128 -0.054) 2.209 1.686 ( -1.943 0.313 1.372) 2.399 1.723 ( -0.630 2.046 1.220) 2.464 1.791 ( -3.310 -0.541 0.363) 3.373 1.871 ( 0.193 1.754 -5.133) 5.428 1.943 ( -1.075 -0.109 1.707) 2.020 2.110 ( -0.901 -0.104 -1.907) 2.112 2.273 ( -1.027 -1.207 2.182) 2.697 2.422 ( 0.182 2.132 4.005) 4.541 2.516 ( -1.187 -2.632 -5.303) 6.038 2.625 ( 0.440 -3.153 -3.688) 4.872 2.754 ( -1.231 1.399 -4.005) 4.417 2.819 ( -0.909 -0.198 -3.645) 3.762 2.899 ( 5.298 0.620 3.530) 6.396 2.920 ( 1.642 -0.566 2.392) 2.956 2.961 ( -0.331 0.261 2.998) 3.027 3.125 ( 0.114 -1.315 -5.203) 5.368 3.182 ( 3.741 0.072 2.001) 4.243 3.187 ( 2.359 -2.326 1.667) 3.709 3.300 ( -3.275 -2.005 1.653) 4.181 3.344 ( -1.182 0.467 -0.353) 1.319 3.428 ( -3.993 1.881 -3.059) 5.370 3.512 ( 0.657 -0.424 0.375) 0.867 3.674 ( -1.638 2.019 1.050) 2.804 3.809 ( -3.305 3.576 -5.288) 7.188 3.908 ( 1.373 -0.142 -0.156) 1.389 3.953 ( -0.608 -1.392 -0.311) 1.550 4.266 ( 2.030 -3.951 1.175) 4.595 4.389 ( -1.848 -2.354 2.905) 4.171 4.460 ( 3.662 0.699 2.211) 4.334 4.564 ( 0.129 -1.617 0.085) 1.624 4.684 ( -3.631 3.138 3.052) 5.687 4.892 ( -0.281 -0.736 -2.776) 2.885 5.151 ( 4.332 -0.423 2.437) 4.989 5.184 ( 2.409 0.658 -0.404) 2.530 5.232 ( 0.700 -2.205 -2.195) 3.189 5.325 ( 2.393 -0.840 -0.905) 2.693 5.381 ( 0.171 2.871 -0.867) 3.004 5.487 ( 5.728 5.191 -3.882) 8.650 5.750 ( 0.050 0.080 2.397) 2.399 5.896 ( -3.254 -2.250 -2.891) 4.900 5.992 ( 0.102 -2.172 2.731) 3.491 6.101 ( -3.347 -0.491 3.728) 5.034 6.127 ( -2.239 -0.290 1.247) 2.579 6.176 ( 0.110 0.277 -4.433) 4.443 6.215 ( -2.928 -5.571 4.903) 7.978 6.480 ( -3.209 -4.293 -5.854) 7.938 6.777 ( -1.125 5.037 -0.948) 5.248 6.809 ( -0.597 4.653 0.811) 4.761 7.131 ( 4.731 -2.299 4.231) 6.750 7.206 ( 2.825 -3.144 -0.642) 4.276 10.213 ( 0.149 0.128 -0.406) 0.451 10.228 ( -0.359 0.631 -0.502) 0.882 10.250 ( 0.171 0.538 0.167) 0.589 10.270 ( 0.338 0.853 -0.504) 1.047 10.459 ( 0.707 0.658 0.508) 1.091 10.499 ( 0.197 2.739 -0.568) 2.804 10.576 ( -0.166 -0.707 0.998) 1.234 10.659 ( 0.431 0.419 -2.343) 2.419 11.035 ( 0.243 0.022 -2.183) 2.197 11.041 ( -0.255 -0.142 -2.997) 3.012 11.295 ( -0.110 -0.123 2.137) 2.144 11.346 ( -2.325 -1.394 0.290) 2.727 11.666 ( 0.673 -0.066 2.310) 2.407 11.706 ( 3.597 -1.047 0.886) 3.850 11.917 ( -1.116 -0.729 3.285) 3.545 11.944 ( -1.907 -1.012 -0.668) 2.260 ======================= Grid point 80 (43/64) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 1.056 1.837 5.299) 5.707 0.641 ( -0.322 0.581 2.081) 2.184 0.662 ( 1.161 1.095 1.822) 2.422 0.677 ( -1.724 1.224 1.500) 2.592 0.743 ( 2.179 1.205 1.607) 2.964 0.811 ( 1.899 2.309 1.828) 3.504 0.839 ( -3.182 0.084 -0.370) 3.204 0.901 ( -2.123 2.090 1.020) 3.149 0.924 ( 1.048 -0.815 0.098) 1.331 0.967 ( 0.490 1.276 -0.076) 1.369 0.994 ( 1.842 0.977 -0.937) 2.286 1.023 ( 3.672 1.812 2.828) 4.976 1.032 ( -0.631 2.447 -1.317) 2.850 1.066 ( 2.846 1.114 0.014) 3.057 1.080 ( -2.123 0.239 -2.532) 3.313 1.125 ( -2.883 -0.750 -1.595) 3.379 1.162 ( 0.404 -2.712 0.337) 2.762 1.169 ( 0.116 -0.624 0.922) 1.119 1.225 ( 0.180 -1.501 -1.765) 2.324 1.227 ( -0.339 0.931 -0.567) 1.142 1.302 ( 2.099 0.261 1.976) 2.894 1.340 ( 2.237 -0.215 -0.050) 2.248 1.371 ( -1.362 -0.520 -1.337) 1.978 1.391 ( -0.400 2.004 -0.586) 2.126 1.424 ( -0.673 1.896 2.546) 3.245 1.455 ( -1.313 -1.079 0.858) 1.904 1.496 ( 3.249 -1.993 1.199) 3.996 1.521 ( -1.696 -1.398 0.685) 2.303 1.581 ( -0.224 0.449 0.598) 0.781 1.650 ( -0.262 -2.186 -0.869) 2.367 1.665 ( -0.751 2.641 1.244) 3.015 1.725 ( 1.323 -0.246 -1.626) 2.110 1.779 ( -1.030 2.795 2.543) 3.917 1.877 ( -0.010 -1.240 -1.455) 1.912 1.976 ( 1.976 1.964 1.784) 3.309 2.067 ( -1.083 -1.582 -0.201) 1.928 2.258 ( 1.037 0.636 -1.141) 1.667 2.394 ( -1.351 -4.047 -5.366) 6.856 2.485 ( 0.501 1.088 -1.886) 2.235 2.561 ( 0.661 -3.173 -3.236) 4.581 2.737 ( -1.800 1.029 -2.846) 3.521 2.782 ( -2.691 -0.391 -4.258) 5.052 2.862 ( -1.463 -1.012 4.604) 4.936 2.939 ( 0.211 -3.127 0.750) 3.222 3.020 ( 1.193 2.754 1.367) 3.298 3.146 ( -0.715 1.756 -4.089) 4.507 3.155 ( -0.331 -3.762 2.284) 4.413 3.212 ( 0.398 -1.125 1.814) 2.171 3.251 ( 0.325 2.212 -0.390) 2.270 3.355 ( 2.585 -0.113 -1.256) 2.876 3.420 ( -2.934 -0.452 -0.278) 2.981 3.461 ( 1.127 -2.200 -1.921) 3.131 3.740 ( -0.110 5.163 2.384) 5.688 3.820 ( -1.101 3.186 -0.966) 3.507 3.915 ( 0.320 -0.669 -0.530) 0.912 3.961 ( 1.860 -0.872 -1.328) 2.446 4.220 ( 0.129 -1.626 1.777) 2.412 4.314 ( 1.432 -3.983 -1.404) 4.460 4.485 ( -1.373 -0.326 1.828) 2.309 4.520 ( -1.337 -2.279 0.833) 2.771 4.737 ( 0.817 3.195 2.008) 3.861 4.844 ( -1.593 -1.920 -3.430) 4.241 5.184 ( -0.306 -0.053 -0.663) 0.732 5.216 ( 1.892 -0.476 -1.714) 2.597 5.286 ( 1.485 0.825 2.075) 2.682 5.344 ( 0.582 -1.320 0.052) 1.444 5.443 ( 0.029 3.946 2.303) 4.569 5.554 ( -2.122 0.243 -2.162) 3.039 5.770 ( 0.755 0.576 1.068) 1.429 5.819 ( 0.037 -1.525 -1.273) 1.987 5.959 ( 1.370 -2.174 2.664) 3.701 5.993 ( -3.050 -2.373 1.126) 4.025 6.074 ( -2.160 0.782 2.252) 3.217 6.136 ( 1.648 -0.179 -1.159) 2.022 6.220 ( -0.014 0.227 -1.654) 1.670 6.367 ( 3.022 -5.511 -5.538) 8.377 6.878 ( -0.760 6.468 1.795) 6.755 6.922 ( 0.775 6.532 -0.342) 6.586 7.099 ( -0.582 -5.547 3.314) 6.488 7.155 ( 0.485 -5.424 -0.425) 5.463 10.225 ( -0.400 0.663 -0.090) 0.779 10.234 ( 0.153 0.369 -0.581) 0.705 10.261 ( -0.015 0.448 0.161) 0.477 10.282 ( 0.388 -0.276 -0.719) 0.862 10.487 ( -0.049 1.433 1.362) 1.978 10.552 ( -0.168 -0.868 1.280) 1.555 10.575 ( 0.421 3.151 -3.247) 4.544 10.656 ( -0.205 -0.590 -3.575) 3.629 11.023 ( -0.896 0.163 -1.916) 2.122 11.031 ( 0.040 -0.289 -2.522) 2.539 11.282 ( -1.384 0.444 3.358) 3.659 11.301 ( -0.198 -0.310 2.322) 2.351 11.682 ( 0.683 0.279 1.536) 1.704 11.741 ( 2.545 -2.946 -0.825) 3.979 11.882 ( -1.148 -0.191 1.927) 2.251 11.909 ( 0.682 -1.749 1.029) 2.141 ======================= Grid point 81 (44/64) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -3.908 1.687 3.892) 5.768 0.608 ( -2.310 -2.403 0.171) 3.338 0.659 ( -1.082 3.099 2.309) 4.013 0.695 ( 1.123 2.091 2.528) 3.468 0.760 ( -2.828 0.411 -1.405) 3.185 0.808 ( -0.414 0.165 3.392) 3.421 0.819 ( -1.297 2.094 -0.766) 2.579 0.852 ( -1.817 1.987 -1.395) 3.032 0.908 ( -3.078 0.245 -1.036) 3.257 0.937 ( -2.609 0.968 -1.819) 3.324 0.970 ( -2.829 3.406 -0.595) 4.468 0.976 ( -2.634 2.013 -0.727) 3.394 1.019 ( -2.643 -0.038 -1.279) 2.937 1.066 ( 0.341 1.370 0.930) 1.690 1.084 ( -1.576 -1.471 -1.653) 2.717 1.122 ( -0.239 -0.797 0.661) 1.063 1.170 ( 0.934 1.291 2.201) 2.717 1.178 ( 3.188 -2.298 1.058) 4.070 1.230 ( 0.878 0.195 -1.630) 1.862 1.267 ( 1.035 -1.613 -0.870) 2.104 1.310 ( -1.000 -0.030 -0.579) 1.156 1.359 ( -0.486 -0.270 -1.756) 1.842 1.378 ( 2.425 -0.625 0.084) 2.506 1.408 ( -0.255 -1.277 1.251) 1.806 1.423 ( 1.124 1.198 1.978) 2.571 1.465 ( 2.541 0.952 -0.181) 2.719 1.498 ( -0.490 0.431 -0.851) 1.072 1.552 ( 1.269 -1.612 1.805) 2.732 1.586 ( 0.810 -0.193 0.111) 0.840 1.648 ( 0.088 1.141 0.705) 1.344 1.678 ( 2.238 0.832 1.937) 3.075 1.776 ( 3.717 0.046 -0.538) 3.756 1.779 ( 0.600 2.054 1.145) 2.427 1.892 ( 1.624 -2.615 -0.654) 3.147 2.015 ( 0.710 1.699 1.008) 2.099 2.042 ( -1.183 0.690 0.274) 1.397 2.311 ( 3.971 -0.528 -0.567) 4.046 2.383 ( 1.214 -3.131 -4.629) 5.719 2.481 ( -0.674 1.143 -1.758) 2.203 2.573 ( 0.717 -2.702 -3.024) 4.118 2.702 ( -1.915 0.898 0.067) 2.116 2.735 ( -0.979 0.358 -2.432) 2.646 2.842 ( -0.901 0.112 5.029) 5.110 2.936 ( -0.339 -3.188 1.089) 3.385 3.042 ( 0.768 1.655 0.334) 1.855 3.071 ( -3.417 -0.262 -1.739) 3.843 3.144 ( -2.200 -0.120 -2.630) 3.430 3.222 ( 0.843 -0.822 2.760) 3.001 3.296 ( 2.893 -1.969 -0.884) 3.609 3.339 ( -3.349 -1.903 -0.258) 3.860 3.400 ( 1.750 3.771 -2.042) 4.632 3.529 ( 3.519 -2.772 0.006) 4.479 3.737 ( -0.042 4.798 2.951) 5.633 3.823 ( 1.146 2.771 -0.064) 2.999 3.919 ( 0.030 -0.202 -0.562) 0.598 3.976 ( -0.186 -2.591 -2.790) 3.812 4.232 ( 1.520 1.717 0.538) 2.356 4.367 ( 3.486 -4.359 -1.595) 5.804 4.442 ( -2.757 -0.809 1.339) 3.170 4.469 ( -3.994 -2.004 1.775) 4.808 4.763 ( 1.345 0.713 2.065) 2.566 4.801 ( -1.942 -1.261 -2.548) 3.443 5.165 ( -1.364 0.535 -0.483) 1.543 5.247 ( -4.044 -1.454 -1.223) 4.468 5.249 ( 1.090 0.007 -0.472) 1.188 5.323 ( -1.034 -1.445 -1.227) 2.159 5.432 ( -2.370 4.076 2.283) 5.239 5.507 ( -2.870 1.555 -2.653) 4.207 5.793 ( 1.294 0.552 1.426) 2.004 5.838 ( 1.587 -0.971 -1.521) 2.403 5.941 ( -0.785 -0.001 2.272) 2.404 6.043 ( 4.620 -2.781 2.439) 5.919 6.056 ( 0.230 -0.561 3.243) 3.299 6.182 ( 2.738 -4.259 -1.050) 5.171 6.227 ( 1.815 4.501 -2.030) 5.260 6.441 ( 3.478 -6.185 -5.173) 8.781 6.861 ( -0.896 5.812 0.662) 5.918 6.933 ( 0.477 5.722 0.429) 5.758 7.062 ( -3.248 -5.158 3.089) 6.833 7.137 ( -2.075 -4.595 -0.627) 5.081 10.214 ( -0.401 0.346 -0.433) 0.684 10.229 ( -0.661 -0.229 -0.264) 0.748 10.264 ( 0.313 0.951 -0.031) 1.002 10.286 ( 0.042 0.159 -0.511) 0.537 10.481 ( -0.581 1.435 1.256) 1.994 10.534 ( -1.492 0.242 0.353) 1.552 10.586 ( 0.918 1.605 -1.593) 2.441 10.647 ( -0.200 -0.358 -3.143) 3.170 11.010 ( -0.011 0.730 -1.133) 1.348 11.034 ( 0.551 -0.540 -2.204) 2.335 11.274 ( 0.205 0.832 3.377) 3.484 11.304 ( -0.034 -0.537 2.722) 2.775 11.685 ( -0.588 0.568 0.275) 0.862 11.752 ( -0.814 -2.571 -2.922) 3.976 11.877 ( 0.456 0.456 2.371) 2.457 11.947 ( 2.131 -3.831 1.059) 4.510 ======================= Grid point 82 (45/64) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 0.889 0.875 3.050) 3.295 0.577 ( -1.690 -1.822 -1.053) 2.699 0.604 ( -4.123 2.887 2.407) 5.579 0.688 ( -2.404 0.453 -2.744) 3.676 0.718 ( -0.283 1.760 2.621) 3.169 0.747 ( -3.413 0.073 -2.278) 4.104 0.792 ( -1.616 0.036 -0.370) 1.658 0.815 ( -1.191 0.758 -2.461) 2.837 0.861 ( -0.285 1.010 -1.750) 2.041 0.900 ( -1.373 -1.446 -1.270) 2.364 0.933 ( -1.392 3.833 0.889) 4.174 0.938 ( 0.232 2.601 -0.715) 2.707 0.991 ( -1.165 1.009 0.512) 1.624 1.049 ( -0.370 -0.168 -2.182) 2.219 1.087 ( 0.896 0.175 2.281) 2.457 1.119 ( -0.680 -1.309 1.902) 2.407 1.179 ( 0.668 1.367 1.958) 2.479 1.212 ( -0.235 -0.712 -0.606) 0.964 1.251 ( 0.161 -0.064 -2.028) 2.035 1.280 ( 0.938 -1.545 0.788) 1.971 1.293 ( -0.382 0.093 -0.465) 0.609 1.343 ( -1.094 0.014 -0.636) 1.266 1.371 ( -1.371 0.911 -0.089) 1.649 1.411 ( 0.321 -1.205 -1.374) 1.855 1.448 ( 0.573 -0.608 1.859) 2.037 1.494 ( -0.217 -0.389 -0.115) 0.460 1.524 ( 2.342 0.635 0.011) 2.426 1.565 ( 0.645 -0.678 2.200) 2.391 1.599 ( 0.134 0.218 0.681) 0.727 1.643 ( -0.723 -1.567 -1.455) 2.257 1.734 ( 2.170 2.481 2.737) 4.284 1.794 ( 0.502 0.950 0.211) 1.095 1.847 ( 3.003 1.087 1.055) 3.363 1.930 ( 1.328 -1.618 -0.523) 2.158 1.996 ( -1.610 1.476 0.405) 2.222 2.022 ( -0.942 -0.445 0.698) 1.254 2.375 ( 1.517 0.097 -0.260) 1.542 2.422 ( 2.263 -2.050 -0.780) 3.151 2.460 ( -0.527 1.612 -2.786) 3.262 2.575 ( 0.002 -3.028 -3.652) 4.744 2.686 ( 0.785 1.063 2.221) 2.585 2.732 ( 0.634 0.271 0.728) 1.002 2.854 ( 1.551 1.355 3.005) 3.643 2.938 ( 0.347 -1.346 -0.176) 1.402 3.020 ( -1.504 -1.841 -1.440) 2.779 3.040 ( -2.034 -2.527 0.149) 3.248 3.096 ( -0.653 4.237 -1.964) 4.716 3.261 ( 0.374 0.764 2.347) 2.496 3.277 ( -0.911 -3.842 -1.656) 4.281 3.341 ( 1.279 -1.372 -0.178) 1.884 3.436 ( 2.475 3.132 -0.434) 4.016 3.562 ( -0.456 -2.668 -0.597) 2.772 3.753 ( 0.829 3.696 3.834) 5.389 3.849 ( 1.236 1.052 0.927) 1.869 3.912 ( -0.400 -0.547 -1.587) 1.725 3.955 ( -1.342 -1.262 -4.183) 4.571 4.281 ( 2.714 2.671 0.658) 3.865 4.364 ( -4.070 -0.193 -0.310) 4.086 4.395 ( -2.995 -3.188 3.095) 5.358 4.440 ( 2.920 -4.012 -2.770) 5.683 4.785 ( 0.900 -1.305 -0.095) 1.588 4.795 ( 1.357 -1.419 1.332) 2.373 5.127 ( -2.594 1.374 -0.763) 3.033 5.169 ( -2.715 -0.280 -1.713) 3.222 5.259 ( 0.140 0.238 -0.666) 0.721 5.328 ( -0.019 -2.463 0.215) 2.473 5.382 ( -0.566 3.834 -2.985) 4.892 5.437 ( -3.039 1.288 -3.951) 5.149 5.801 ( -1.076 0.423 1.888) 2.214 5.852 ( 0.824 -1.902 -1.376) 2.488 5.975 ( 2.123 2.056 4.114) 5.066 6.077 ( 0.531 -3.218 1.701) 3.679 6.102 ( 2.294 1.937 4.125) 5.102 6.244 ( 0.594 1.882 -1.900) 2.739 6.271 ( 3.667 -2.422 0.743) 4.457 6.458 ( -0.837 -6.412 -4.273) 7.750 6.856 ( 0.277 4.009 1.739) 4.379 6.939 ( -0.048 4.252 -1.181) 4.414 7.003 ( -2.476 -3.382 3.294) 5.331 7.092 ( -1.660 -3.445 -1.487) 4.103 10.212 ( 0.275 -0.180 -0.752) 0.820 10.215 ( -0.540 -0.317 -0.467) 0.781 10.269 ( 0.150 0.973 0.257) 1.018 10.283 ( -0.312 0.418 -0.183) 0.553 10.472 ( -0.481 1.318 1.344) 1.942 10.512 ( -0.485 0.438 -0.197) 0.683 10.598 ( 0.250 1.150 -0.500) 1.279 10.643 ( 0.296 -0.174 -2.598) 2.621 11.018 ( 0.782 0.794 -1.229) 1.659 11.043 ( 0.497 -0.504 -2.286) 2.393 11.292 ( 1.121 0.179 2.973) 3.182 11.303 ( -0.348 -0.322 2.713) 2.754 11.668 ( -0.875 0.576 -0.060) 1.050 11.721 ( -1.752 -1.952 -2.861) 3.881 11.897 ( 0.980 0.503 2.705) 2.920 11.970 ( 0.026 -3.515 0.353) 3.532 ======================= Grid point 83 (46/64) ======================= q-point: (-0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -4.736 1.728 0.918) 5.124 0.529 ( 0.781 -1.247 1.472) 2.082 0.622 ( 4.214 -0.357 0.453) 4.253 0.677 ( 1.601 1.569 -1.027) 2.466 0.691 ( -0.884 0.793 2.214) 2.512 0.750 ( 1.903 -1.094 0.126) 2.199 0.790 ( 0.929 -0.012 -0.233) 0.958 0.802 ( 0.189 -0.153 -1.518) 1.537 0.884 ( 2.760 0.275 -2.099) 3.478 0.913 ( 1.707 -1.788 -2.191) 3.303 0.919 ( 0.765 7.459 0.014) 7.498 0.965 ( 1.112 0.136 1.551) 1.914 0.969 ( 0.539 1.357 -1.052) 1.800 1.047 ( 0.019 0.449 -1.572) 1.635 1.093 ( -1.193 -0.289 2.431) 2.723 1.114 ( 0.595 0.430 2.355) 2.467 1.182 ( -1.037 -0.512 1.236) 1.692 1.197 ( -1.055 -0.575 -0.232) 1.224 1.241 ( 0.157 0.591 -0.448) 0.759 1.279 ( -0.905 0.994 -1.399) 1.940 1.290 ( -0.525 -1.002 1.415) 1.812 1.337 ( 1.169 0.784 -0.140) 1.415 1.360 ( -1.059 0.345 -0.288) 1.151 1.405 ( 0.038 -0.343 0.075) 0.353 1.451 ( -0.706 -0.123 1.399) 1.572 1.480 ( -0.837 -0.694 0.229) 1.111 1.535 ( -1.610 -2.046 1.848) 3.193 1.576 ( 0.279 -0.232 0.532) 0.644 1.607 ( 0.441 0.051 0.508) 0.674 1.627 ( -0.129 -1.392 -2.648) 2.995 1.740 ( -1.863 1.523 1.983) 3.118 1.787 ( -1.456 0.321 0.218) 1.507 1.865 ( -2.038 2.359 2.183) 3.806 1.916 ( -1.232 0.913 -1.281) 1.998 1.962 ( -1.226 0.814 1.132) 1.856 2.050 ( 2.358 -2.893 0.021) 3.733 2.346 ( -3.471 1.845 -0.361) 3.948 2.445 ( 0.311 0.102 0.955) 1.010 2.466 ( 0.544 -1.536 -3.824) 4.157 2.567 ( -0.315 -3.576 -4.061) 5.420 2.744 ( 4.002 0.039 1.825) 4.399 2.763 ( 2.496 -0.062 0.912) 2.658 2.891 ( 1.408 2.739 -0.050) 3.081 2.928 ( -1.246 0.673 -2.075) 2.512 2.979 ( -2.536 -1.056 1.488) 3.124 3.028 ( 2.071 -3.817 1.005) 4.457 3.124 ( 2.577 2.211 0.691) 3.465 3.207 ( -2.221 1.997 -4.284) 5.222 3.305 ( 0.191 -2.615 2.771) 3.815 3.350 ( -0.343 -1.727 -0.444) 1.816 3.490 ( 2.169 1.044 0.597) 2.480 3.514 ( -3.247 -1.039 -2.649) 4.318 3.757 ( -1.064 3.789 3.464) 5.243 3.876 ( 1.418 -0.429 1.697) 2.253 3.905 ( -0.687 -0.770 -1.861) 2.128 3.921 ( -1.040 0.073 -4.426) 4.547 4.254 ( -3.418 0.254 1.169) 3.622 4.348 ( -1.934 -4.433 2.306) 5.358 4.386 ( 4.506 1.825 -0.500) 4.888 4.488 ( 2.227 -3.595 -1.784) 4.590 4.797 ( -1.640 0.246 0.440) 1.716 4.827 ( 2.742 -1.995 0.241) 3.399 5.097 ( 0.542 0.887 0.070) 1.042 5.144 ( 0.524 -0.834 -2.231) 2.439 5.245 ( -1.470 1.640 0.332) 2.227 5.309 ( -1.047 -0.329 0.473) 1.195 5.406 ( 2.609 2.839 -4.487) 5.916 5.444 ( 4.278 0.529 -3.783) 5.735 5.773 ( -1.518 1.293 2.234) 2.994 5.869 ( 0.557 -3.501 -1.558) 3.872 5.983 ( -1.707 1.261 4.384) 4.870 6.081 ( 0.231 -2.851 3.291) 4.361 6.150 ( 1.248 1.723 1.968) 2.898 6.226 ( -1.841 3.165 -1.252) 3.870 6.254 ( -5.751 -2.836 0.948) 6.482 6.435 ( -1.081 -6.477 -3.873) 7.624 6.871 ( 1.030 3.695 1.378) 4.076 6.914 ( -1.936 4.401 0.085) 4.809 7.011 ( 2.674 -2.420 2.492) 4.384 7.089 ( 1.350 -3.866 -1.477) 4.353 10.210 ( 0.166 -0.007 -0.673) 0.693 10.223 ( 0.839 -0.513 -0.835) 1.290 10.268 ( -0.365 0.882 0.305) 1.002 10.277 ( -0.136 0.366 0.113) 0.406 10.469 ( 0.068 1.450 1.278) 1.934 10.518 ( 0.991 0.195 -0.327) 1.061 10.593 ( -0.663 1.564 -0.471) 1.763 10.651 ( 0.716 -0.379 -2.525) 2.652 11.031 ( 0.686 0.485 -1.740) 1.932 11.045 ( 0.022 -0.258 -2.622) 2.635 11.298 ( -0.422 0.113 2.507) 2.545 11.319 ( 0.991 -0.974 2.376) 2.752 11.657 ( -0.203 0.238 0.829) 0.886 11.685 ( -1.393 -1.118 -1.384) 2.259 11.912 ( 0.080 -0.042 2.618) 2.620 11.954 ( -1.459 -2.155 0.040) 2.602 ======================= Grid point 84 (47/64) ======================= q-point: (-0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 5.156 3.091 6.498) 8.852 0.588 ( 4.414 -2.615 1.106) 5.248 0.661 ( -1.364 4.669 4.478) 6.612 0.706 ( 1.302 -0.013 1.213) 1.780 0.719 ( 1.135 0.260 0.333) 1.211 0.784 ( 0.625 0.135 0.512) 0.819 0.829 ( 4.499 -0.746 -1.090) 4.689 0.852 ( 6.156 -0.966 -1.472) 6.403 0.910 ( -0.857 -1.344 -1.744) 2.362 0.935 ( 1.172 0.107 1.324) 1.771 0.951 ( 0.608 2.972 -0.097) 3.035 0.976 ( 2.172 3.323 0.730) 4.037 1.016 ( 1.099 0.198 -1.306) 1.718 1.062 ( 1.308 0.836 0.096) 1.555 1.074 ( 0.630 0.911 -0.228) 1.131 1.132 ( 1.169 1.953 1.207) 2.577 1.169 ( -0.454 -1.882 0.105) 1.939 1.173 ( -1.259 -1.086 -0.213) 1.676 1.240 ( -1.009 3.115 0.778) 3.366 1.256 ( -1.003 -1.034 0.342) 1.480 1.284 ( -0.176 0.839 -0.950) 1.280 1.320 ( -1.186 -0.365 0.599) 1.377 1.378 ( 1.608 0.442 0.971) 1.929 1.401 ( -0.951 0.467 0.046) 1.061 1.435 ( -0.465 0.974 1.373) 1.746 1.466 ( -0.606 -1.624 0.196) 1.745 1.496 ( -2.237 -2.739 1.612) 3.886 1.557 ( -1.878 -2.706 -0.953) 3.429 1.601 ( -1.193 0.795 0.029) 1.434 1.642 ( 1.361 0.119 -0.604) 1.493 1.689 ( -2.625 1.236 1.018) 3.074 1.743 ( -2.388 -0.354 -0.520) 2.470 1.814 ( -2.787 2.971 3.201) 5.180 1.891 ( -0.953 0.119 -2.506) 2.684 1.955 ( 0.067 1.610 1.640) 2.299 2.077 ( 0.295 -3.404 0.525) 3.457 2.278 ( -2.716 2.183 -1.274) 3.710 2.432 ( -1.581 -3.557 -2.832) 4.814 2.472 ( 0.794 0.522 -2.106) 2.311 2.558 ( 0.066 -3.654 -3.706) 5.205 2.772 ( -0.549 0.672 -3.511) 3.617 2.816 ( 0.461 -0.415 -2.618) 2.690 2.889 ( -1.787 -1.495 1.806) 2.948 2.916 ( 1.623 0.156 1.008) 1.916 2.986 ( 2.016 2.350 2.882) 4.230 3.083 ( 3.391 -2.548 1.039) 4.367 3.176 ( 1.195 0.410 -0.457) 1.343 3.186 ( 1.167 0.447 -1.479) 1.936 3.286 ( -2.089 0.254 1.014) 2.336 3.326 ( -1.000 -1.795 -0.467) 2.107 3.446 ( -1.993 0.835 -3.927) 4.482 3.508 ( -1.772 -0.834 0.596) 2.047 3.738 ( -0.523 4.462 1.944) 4.896 3.860 ( -2.340 1.230 -1.024) 2.835 3.912 ( 0.082 -0.740 -1.568) 1.735 3.920 ( 2.148 -0.699 0.063) 2.260 4.216 ( -0.516 -0.810 1.025) 1.404 4.319 ( -1.289 -4.424 0.872) 4.690 4.469 ( 3.055 0.048 0.604) 3.115 4.520 ( 1.106 -2.728 -0.134) 2.947 4.748 ( -2.335 3.461 0.845) 4.260 4.861 ( 0.408 -2.550 -2.062) 3.305 5.150 ( 3.865 0.396 1.349) 4.113 5.179 ( 2.393 -0.710 -1.502) 2.913 5.237 ( 1.224 1.730 0.539) 2.186 5.305 ( 1.347 -1.387 -0.372) 1.969 5.445 ( 0.732 3.829 -0.918) 4.005 5.541 ( 4.588 0.324 -2.937) 5.457 5.759 ( -0.079 1.030 1.765) 2.045 5.849 ( -2.337 -3.092 -1.364) 4.109 5.954 ( -1.036 -0.062 2.460) 2.670 6.074 ( -3.766 -3.766 4.813) 7.179 6.121 ( -3.695 -0.249 1.392) 3.956 6.146 ( -2.041 -0.982 -0.621) 2.348 6.202 ( 0.428 2.980 -2.497) 3.911 6.386 ( -3.006 -5.633 -3.592) 7.326 6.886 ( -0.255 6.479 -0.078) 6.485 6.902 ( 1.063 5.069 0.945) 5.264 7.073 ( 2.570 -3.835 3.464) 5.772 7.125 ( 2.199 -5.378 -0.853) 5.873 10.219 ( 0.674 0.441 -0.657) 1.039 10.235 ( 0.241 -0.004 -0.467) 0.525 10.261 ( -0.159 0.573 0.096) 0.602 10.277 ( 0.122 -0.065 -0.107) 0.175 10.478 ( 0.633 1.514 1.147) 2.002 10.540 ( 1.090 -0.428 0.346) 1.222 10.578 ( -0.472 2.636 -1.683) 3.163 10.659 ( 0.346 -0.647 -3.065) 3.152 11.036 ( -0.045 0.051 -2.455) 2.455 11.038 ( -0.301 -0.095 -2.612) 2.631 11.294 ( -0.331 0.170 2.573) 2.600 11.321 ( -1.310 -1.237 1.804) 2.549 11.665 ( 0.692 -0.007 1.692) 1.828 11.684 ( 1.916 -1.093 0.811) 2.350 11.905 ( -1.125 -0.452 2.221) 2.530 11.922 ( -1.567 -1.212 0.069) 1.982 ======================= Grid point 85 (48/64) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.166 -1.206 1.956) 2.303 0.621 ( 0.166 1.206 1.956) 2.303 0.687 ( -0.032 -0.894 1.330) 1.603 0.687 ( -0.032 0.894 1.330) 1.603 0.795 ( 1.149 -3.199 3.567) 4.927 0.795 ( 1.149 3.199 3.567) 4.927 0.874 ( -1.400 -2.803 -0.739) 3.219 0.874 ( -1.400 2.803 -0.739) 3.219 0.952 ( 3.740 -2.186 -0.835) 4.412 0.952 ( 3.740 2.186 -0.835) 4.412 1.032 ( 0.578 -3.197 0.550) 3.295 1.032 ( 0.578 3.197 0.550) 3.295 1.063 ( 0.644 -0.249 0.867) 1.108 1.063 ( 0.644 0.249 0.867) 1.108 1.104 ( -0.306 -3.157 -0.661) 3.240 1.104 ( -0.306 3.157 -0.661) 3.240 1.142 ( -2.530 -2.313 -0.669) 3.493 1.142 ( -2.530 2.313 -0.669) 3.493 1.228 ( -0.341 -1.195 -0.939) 1.557 1.228 ( -0.341 1.195 -0.939) 1.557 1.317 ( 1.747 -1.597 0.374) 2.397 1.317 ( 1.747 1.597 0.374) 2.397 1.391 ( -1.581 -2.065 -1.567) 3.036 1.391 ( -1.581 2.065 -1.567) 3.036 1.451 ( 0.589 -1.487 0.768) 1.775 1.451 ( 0.589 1.487 0.768) 1.775 1.486 ( 1.295 -2.148 2.060) 3.246 1.486 ( 1.295 2.148 2.060) 3.246 1.606 ( -0.391 -1.959 -0.635) 2.096 1.606 ( -0.391 1.959 -0.635) 2.096 1.709 ( 0.342 -1.629 -0.035) 1.665 1.709 ( 0.342 1.629 -0.035) 1.665 1.835 ( -1.152 -3.050 1.448) 3.567 1.835 ( -1.152 3.050 1.448) 3.567 2.019 ( 1.099 -2.782 2.105) 3.657 2.019 ( 1.099 2.782 2.105) 3.657 2.312 ( -0.284 -4.352 -5.005) 6.639 2.312 ( -0.284 4.352 -5.005) 6.639 2.511 ( 0.662 -2.077 -3.351) 3.997 2.511 ( 0.662 2.077 -3.351) 3.997 2.761 ( -2.185 -1.540 -3.062) 4.065 2.761 ( -2.185 1.540 -3.062) 4.065 2.880 ( -0.686 -2.728 1.624) 3.248 2.880 ( -0.686 2.728 1.624) 3.248 3.083 ( 0.949 -3.846 1.678) 4.302 3.083 ( 0.949 3.846 1.678) 4.302 3.181 ( -0.888 -1.820 -1.986) 2.836 3.181 ( -0.888 1.820 -1.986) 2.836 3.317 ( 0.827 -3.628 1.270) 3.932 3.317 ( 0.827 3.628 1.270) 3.932 3.428 ( -0.455 -1.266 -1.546) 2.049 3.428 ( -0.455 1.266 -1.546) 2.049 3.827 ( 0.003 -3.327 2.894) 4.409 3.827 ( 0.003 3.327 2.894) 4.409 3.922 ( 0.431 -2.326 -1.647) 2.882 3.922 ( 0.431 2.326 -1.647) 2.882 4.244 ( 1.345 -3.321 -0.918) 3.699 4.244 ( 1.345 3.321 -0.918) 3.699 4.485 ( -1.257 -0.942 0.622) 1.689 4.485 ( -1.257 0.942 0.622) 1.689 4.796 ( -0.644 -3.034 -0.797) 3.202 4.796 ( -0.644 3.034 -0.797) 3.202 5.196 ( 0.352 -1.194 -2.195) 2.523 5.196 ( 0.352 1.194 -2.195) 2.523 5.313 ( 1.053 -1.802 2.228) 3.053 5.313 ( 1.053 1.802 2.228) 3.053 5.519 ( -0.579 -3.639 0.684) 3.748 5.519 ( -0.579 3.639 0.684) 3.748 5.790 ( 0.820 -1.533 0.669) 1.863 5.790 ( 0.820 1.533 0.669) 1.863 5.954 ( -1.518 -1.405 0.962) 2.281 5.954 ( -1.518 1.405 0.962) 2.281 6.105 ( -0.852 -2.266 0.833) 2.561 6.105 ( -0.852 2.266 0.833) 2.561 6.272 ( 2.058 -4.503 -4.163) 6.469 6.272 ( 2.058 4.503 -4.163) 6.469 6.993 ( -1.036 -5.902 2.627) 6.543 6.993 ( -1.036 5.902 2.627) 6.543 7.043 ( 0.916 -6.490 -0.326) 6.562 7.043 ( 0.916 6.490 -0.326) 6.562 10.235 ( -0.320 -0.328 -0.185) 0.494 10.235 ( -0.320 0.328 -0.185) 0.494 10.271 ( 0.432 -0.714 -0.418) 0.933 10.271 ( 0.432 0.714 -0.418) 0.933 10.520 ( -0.080 -1.944 1.959) 2.762 10.520 ( -0.080 1.944 1.959) 2.762 10.630 ( 0.066 -2.232 -4.226) 4.780 10.630 ( 0.066 2.232 -4.226) 4.780 11.026 ( -0.362 -0.220 -2.181) 2.221 11.026 ( -0.362 0.220 -2.181) 2.221 11.292 ( -0.584 -0.595 2.965) 3.080 11.292 ( -0.584 0.595 2.965) 3.080 11.698 ( 1.424 -1.566 0.494) 2.173 11.698 ( 1.424 1.566 0.494) 2.173 11.886 ( -0.498 -0.714 1.375) 1.627 11.886 ( -0.498 0.714 1.375) 1.627 ======================= Grid point 87 (49/64) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -3.319 -1.744 0.904) 3.857 0.568 ( -3.319 1.744 0.904) 3.857 0.704 ( 0.330 -1.229 1.610) 2.052 0.704 ( 0.330 1.229 1.610) 2.052 0.786 ( -2.699 -1.912 1.069) 3.476 0.786 ( -2.699 1.912 1.069) 3.476 0.865 ( 0.207 -1.749 0.860) 1.960 0.865 ( 0.207 1.749 0.860) 1.960 0.924 ( -4.963 -1.867 -3.070) 6.128 0.924 ( -4.963 1.867 -3.070) 6.128 1.002 ( -3.862 -0.808 -1.142) 4.107 1.002 ( -3.862 0.808 -1.142) 4.107 1.036 ( 0.061 -2.330 0.539) 2.392 1.036 ( 0.061 2.330 0.539) 2.392 1.097 ( -0.727 -1.178 0.366) 1.432 1.097 ( -0.727 1.178 0.366) 1.432 1.176 ( 2.997 -1.262 1.885) 3.758 1.176 ( 2.997 1.262 1.885) 3.758 1.239 ( 0.716 -0.513 -0.838) 1.216 1.239 ( 0.716 0.513 -0.838) 1.216 1.329 ( 0.101 -2.092 -2.155) 3.005 1.329 ( 0.101 2.092 -2.155) 3.005 1.386 ( 0.651 -1.198 0.017) 1.364 1.386 ( 0.651 1.198 0.017) 1.364 1.456 ( 0.007 -2.025 0.650) 2.126 1.456 ( 0.007 2.025 0.650) 2.126 1.514 ( 1.471 -1.637 0.280) 2.219 1.514 ( 1.471 1.637 0.280) 2.219 1.620 ( 0.764 -2.479 0.578) 2.658 1.620 ( 0.764 2.479 0.578) 2.658 1.738 ( 2.739 -3.353 -0.006) 4.330 1.738 ( 2.739 3.353 -0.006) 4.330 1.835 ( 1.073 -3.137 1.450) 3.619 1.835 ( 1.073 3.137 1.450) 3.619 2.039 ( 0.037 -0.912 1.693) 1.923 2.039 ( 0.037 0.912 1.693) 1.923 2.329 ( 2.685 -2.359 -3.925) 5.309 2.329 ( 2.685 2.359 -3.925) 5.309 2.517 ( 0.258 -2.882 -3.215) 4.326 2.517 ( 0.258 2.882 -3.215) 4.326 2.725 ( -1.193 -1.363 -0.457) 1.868 2.725 ( -1.193 1.363 -0.457) 1.868 2.872 ( -0.085 -3.037 2.133) 3.712 2.872 ( -0.085 3.037 2.133) 3.712 3.062 ( -2.546 -0.684 -0.715) 2.731 3.062 ( -2.546 0.684 -0.715) 2.731 3.178 ( 0.686 -3.202 -1.264) 3.510 3.178 ( 0.686 3.202 -1.264) 3.510 3.304 ( -1.009 -1.939 0.716) 2.300 3.304 ( -1.009 1.939 0.716) 2.300 3.469 ( 2.922 -3.595 -0.377) 4.648 3.469 ( 2.922 3.595 -0.377) 4.648 3.822 ( -0.718 -3.501 3.549) 5.037 3.822 ( -0.718 3.501 3.549) 5.037 3.928 ( 0.467 -1.864 -2.924) 3.499 3.928 ( 0.467 1.864 -2.924) 3.499 4.290 ( 3.267 -3.982 -1.541) 5.377 4.290 ( 3.267 3.982 -1.541) 5.377 4.438 ( -3.467 -0.758 0.761) 3.630 4.438 ( -3.467 0.758 0.761) 3.630 4.778 ( -1.012 -1.056 -0.266) 1.486 4.778 ( -1.012 1.056 -0.266) 1.486 5.192 ( -0.650 -2.384 -1.803) 3.059 5.192 ( -0.650 2.384 -1.803) 3.059 5.288 ( -2.226 -2.146 0.826) 3.201 5.288 ( -2.226 2.146 0.826) 3.201 5.499 ( -2.402 -2.418 0.194) 3.414 5.499 ( -2.402 2.418 0.194) 3.414 5.813 ( 0.955 -1.486 0.299) 1.792 5.813 ( 0.955 1.486 0.299) 1.792 5.969 ( 2.708 -2.982 1.447) 4.280 5.969 ( 2.708 2.982 1.447) 4.280 6.104 ( 1.474 -3.659 1.048) 4.082 6.104 ( 1.474 3.659 1.048) 4.082 6.327 ( 2.801 -5.958 -3.277) 7.354 6.327 ( 2.801 5.958 -3.277) 7.354 6.964 ( -2.057 -5.222 2.159) 6.013 6.964 ( -2.057 5.222 2.159) 6.013 7.042 ( -0.877 -5.521 -0.371) 5.602 7.042 ( -0.877 5.521 -0.371) 5.602 10.222 ( -0.735 -0.447 -0.362) 0.934 10.222 ( -0.735 0.447 -0.362) 0.934 10.280 ( 0.354 -0.714 -0.292) 0.849 10.280 ( 0.354 0.714 -0.292) 0.849 10.513 ( -0.851 -1.759 1.713) 2.598 10.513 ( -0.851 1.759 1.713) 2.598 10.626 ( 0.130 -1.862 -3.487) 3.955 10.626 ( 0.130 1.862 -3.487) 3.955 11.023 ( 0.335 -0.667 -1.712) 1.867 11.023 ( 0.335 0.667 -1.712) 1.867 11.291 ( 0.005 -0.858 3.045) 3.163 11.291 ( 0.005 0.858 3.045) 3.163 11.708 ( -0.462 -1.924 -1.171) 2.299 11.708 ( -0.462 1.924 -1.171) 2.299 11.896 ( 1.096 -1.749 1.989) 2.866 11.896 ( 1.096 1.749 1.989) 2.866 ======================= Grid point 89 (50/64) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -0.250 -1.826 -0.130) 1.848 0.536 ( -0.250 1.826 -0.130) 1.848 0.669 ( -4.216 -2.959 1.898) 5.489 0.669 ( -4.216 2.959 1.898) 5.489 0.743 ( -0.834 -1.621 -0.222) 1.836 0.743 ( -0.834 1.621 -0.222) 1.836 0.817 ( -4.050 -1.806 -1.782) 4.779 0.817 ( -4.050 1.806 -1.782) 4.779 0.862 ( -0.034 -0.785 -1.304) 1.522 0.862 ( -0.034 0.785 -1.304) 1.522 0.964 ( -0.017 -0.319 -0.729) 0.796 0.964 ( -0.017 0.319 -0.729) 0.796 1.044 ( 0.257 -2.467 0.907) 2.641 1.044 ( 0.257 2.467 0.907) 2.641 1.084 ( -0.504 -1.690 0.349) 1.798 1.084 ( -0.504 1.691 0.349) 1.798 1.207 ( 0.064 -1.094 1.826) 2.130 1.207 ( 0.064 1.094 1.826) 2.130 1.246 ( 0.343 -0.528 -0.199) 0.660 1.246 ( 0.343 0.528 -0.199) 0.660 1.327 ( -0.223 -2.158 -2.064) 2.994 1.327 ( -0.223 2.158 -2.064) 2.994 1.384 ( -0.380 -0.960 0.242) 1.060 1.384 ( -0.380 0.960 0.242) 1.060 1.465 ( 0.316 -1.860 0.725) 2.021 1.465 ( 0.316 1.860 0.725) 2.021 1.547 ( 1.599 -1.537 -0.355) 2.246 1.547 ( 1.599 1.537 -0.355) 2.246 1.615 ( -0.999 -1.368 0.175) 1.703 1.615 ( -0.999 1.368 0.175) 1.703 1.780 ( 0.822 -1.995 0.071) 2.159 1.780 ( 0.822 1.995 0.071) 2.159 1.887 ( 3.540 -2.537 1.108) 4.494 1.887 ( 3.540 2.537 1.108) 4.494 2.015 ( -2.356 -0.584 1.187) 2.702 2.015 ( -2.356 0.584 1.187) 2.702 2.386 ( 2.487 -1.326 -1.357) 3.128 2.386 ( 2.487 1.326 -1.357) 3.128 2.511 ( -0.342 -3.513 -3.581) 5.029 2.511 ( -0.342 3.513 -3.581) 5.029 2.716 ( 0.378 -1.749 2.275) 2.895 2.716 ( 0.378 1.749 2.275) 2.895 2.893 ( 2.061 -2.609 1.232) 3.546 2.893 ( 2.061 2.609 1.232) 3.546 3.010 ( -2.620 -0.583 -1.288) 2.977 3.010 ( -2.620 0.583 -1.288) 2.977 3.186 ( 0.286 -4.948 -1.007) 5.058 3.186 ( 0.286 4.948 -1.007) 5.058 3.303 ( 0.480 -2.459 0.548) 2.565 3.303 ( 0.480 2.459 0.548) 2.565 3.502 ( 0.553 -3.623 -0.332) 3.680 3.502 ( 0.553 3.623 -0.332) 3.680 3.821 ( 0.240 -3.295 3.623) 4.903 3.821 ( 0.240 3.295 3.623) 4.903 3.928 ( -0.204 -1.669 -3.866) 4.216 3.928 ( -0.204 1.669 -3.866) 4.216 4.338 ( -1.012 -3.084 1.408) 3.538 4.338 ( -1.012 3.084 1.408) 3.538 4.378 ( 0.216 -2.149 -2.462) 3.275 4.378 ( 0.216 2.149 -2.462) 3.275 4.773 ( 0.793 -0.363 0.613) 1.066 4.773 ( 0.793 0.363 0.613) 1.066 5.154 ( -2.565 -1.291 -1.996) 3.497 5.154 ( -2.565 1.291 -1.996) 3.497 5.280 ( 1.019 -2.089 0.992) 2.527 5.280 ( 1.019 2.089 0.992) 2.527 5.437 ( -2.610 -1.529 -3.199) 4.402 5.437 ( -2.610 1.529 -3.199) 4.402 5.819 ( -0.175 -1.505 0.311) 1.547 5.819 ( -0.175 1.505 0.311) 1.547 6.016 ( 1.152 -2.693 3.569) 4.617 6.016 ( 1.152 2.693 3.569) 4.617 6.173 ( 4.145 -4.796 0.927) 6.406 6.173 ( 4.145 4.796 0.927) 6.406 6.344 ( -0.724 -5.759 -2.062) 6.160 6.344 ( -0.724 5.759 -2.062) 6.160 6.933 ( -1.089 -4.093 2.398) 4.867 6.933 ( -1.089 4.093 2.398) 4.867 7.020 ( -0.920 -4.259 -1.398) 4.576 7.020 ( -0.920 4.259 -1.398) 4.576 10.211 ( -0.216 -0.095 -0.714) 0.751 10.211 ( -0.216 0.095 -0.714) 0.751 10.282 ( -0.076 -0.425 0.098) 0.443 10.282 ( -0.076 0.425 0.098) 0.443 10.499 ( -0.508 -1.378 1.174) 1.880 10.499 ( -0.508 1.378 1.174) 1.880 10.627 ( 0.301 -1.491 -2.379) 2.824 10.627 ( 0.301 1.491 -2.379) 2.824 11.032 ( 0.642 -0.690 -1.747) 1.985 11.032 ( 0.642 0.690 -1.747) 1.985 11.297 ( 0.245 -0.322 2.789) 2.819 11.297 ( 0.245 0.322 2.789) 2.819 11.687 ( -1.192 -1.502 -1.294) 2.313 11.687 ( -1.192 1.502 -1.294) 2.313 11.919 ( 0.676 -1.920 1.775) 2.701 11.919 ( 0.676 1.920 1.775) 2.701 ======================= Grid point 91 (51/64) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -1.997 -1.221 0.899) 2.507 0.509 ( -1.997 1.221 0.899) 2.507 0.643 ( 2.549 -2.502 1.581) 3.906 0.643 ( 2.549 2.502 1.581) 3.906 0.736 ( 0.453 -1.341 0.512) 1.505 0.736 ( 0.453 1.341 0.512) 1.505 0.790 ( 0.516 -0.796 -1.088) 1.444 0.790 ( 0.516 0.796 -1.088) 1.444 0.889 ( 2.581 -0.480 -1.729) 3.144 0.889 ( 2.581 0.480 -1.729) 3.144 0.969 ( 0.287 -0.848 -0.667) 1.116 0.969 ( 0.287 0.848 -0.667) 1.116 1.041 ( 0.055 -4.115 0.571) 4.155 1.041 ( 0.055 4.115 0.571) 4.155 1.091 ( 0.925 -2.342 0.727) 2.620 1.091 ( 0.925 2.342 0.727) 2.620 1.186 ( -1.892 -0.497 0.753) 2.096 1.186 ( -1.892 0.497 0.753) 2.096 1.257 ( 0.706 -1.610 1.245) 2.154 1.257 ( 0.706 1.610 1.245) 2.154 1.323 ( -0.163 -2.299 -1.431) 2.713 1.323 ( -0.163 2.299 -1.431) 2.713 1.382 ( 0.190 -1.538 0.399) 1.600 1.382 ( 0.190 1.538 0.399) 1.600 1.458 ( -1.055 -1.013 1.635) 2.194 1.458 ( -1.055 1.013 1.635) 2.194 1.545 ( -1.778 -2.294 -1.456) 3.247 1.545 ( -1.778 2.294 -1.456) 3.247 1.612 ( 0.915 -0.416 0.102) 1.011 1.612 ( 0.915 0.416 0.102) 1.011 1.770 ( -1.913 -1.544 0.488) 2.506 1.770 ( -1.913 1.544 0.488) 2.506 1.912 ( -1.738 -1.663 0.148) 2.409 1.912 ( -1.738 1.663 0.148) 2.409 1.994 ( 0.653 -2.746 1.702) 3.296 1.994 ( 0.653 2.746 1.702) 3.296 2.393 ( -1.544 -3.148 -1.438) 3.790 2.393 ( -1.544 3.148 -1.438) 3.790 2.501 ( -0.094 -3.145 -3.256) 4.528 2.501 ( -0.094 3.145 -3.256) 4.528 2.752 ( 2.728 -0.780 1.684) 3.300 2.752 ( 2.728 0.780 1.684) 3.300 2.930 ( -0.155 -0.959 -2.106) 2.319 2.930 ( -0.155 0.959 -2.106) 2.319 2.975 ( 0.903 -1.245 2.628) 3.045 2.975 ( 0.903 1.245 2.628) 3.045 3.189 ( 0.125 -3.817 -1.969) 4.297 3.189 ( 0.125 3.817 -1.969) 4.297 3.306 ( -0.390 -2.611 0.575) 2.702 3.306 ( -0.390 2.611 0.575) 2.702 3.502 ( -0.304 -0.473 -0.803) 0.980 3.502 ( -0.304 0.473 -0.803) 0.980 3.828 ( -0.356 -3.581 2.815) 4.569 3.828 ( -0.356 3.581 2.815) 4.569 3.915 ( -0.344 -0.910 -3.006) 3.159 3.915 ( -0.344 0.910 -3.006) 3.159 4.280 ( -2.849 -2.686 1.184) 4.091 4.280 ( -2.849 2.686 1.184) 4.091 4.427 ( 3.175 -2.768 -1.766) 4.568 4.427 ( 3.175 2.768 -1.766) 4.568 4.801 ( 1.309 -0.672 0.239) 1.490 4.801 ( 1.309 0.672 0.239) 1.490 5.121 ( 0.171 -1.472 -1.298) 1.970 5.121 ( 0.171 1.472 -1.298) 1.970 5.283 ( -1.085 -2.121 0.799) 2.513 5.283 ( -1.085 2.121 0.799) 2.513 5.441 ( 3.554 -0.961 -3.955) 5.404 5.441 ( 3.554 0.961 -3.955) 5.404 5.811 ( -0.768 -2.686 0.581) 2.854 5.811 ( -0.768 2.686 0.581) 2.854 6.023 ( -0.810 -2.874 4.013) 5.002 6.023 ( -0.810 2.874 4.013) 5.002 6.194 ( -2.615 -3.017 0.750) 4.063 6.194 ( -2.615 3.017 0.750) 4.063 6.319 ( -1.154 -5.906 -1.930) 6.320 6.319 ( -1.154 5.906 -1.930) 6.320 6.939 ( 1.574 -3.257 2.550) 4.426 6.939 ( 1.574 3.257 2.550) 4.426 7.011 ( 0.176 -4.133 -1.491) 4.397 7.011 ( 0.176 4.133 -1.491) 4.397 10.214 ( 0.596 -0.375 -0.876) 1.124 10.214 ( 0.596 0.375 -0.876) 1.124 10.279 ( -0.339 -0.233 0.324) 0.524 10.279 ( -0.339 0.233 0.324) 0.524 10.499 ( 0.371 -1.651 1.038) 1.985 10.499 ( 0.371 1.651 1.038) 1.985 10.630 ( 0.256 -1.870 -2.312) 2.985 10.630 ( 0.256 1.870 -2.312) 2.985 11.039 ( 0.305 -0.370 -2.150) 2.202 11.039 ( 0.305 0.370 -2.150) 2.202 11.305 ( 0.078 -0.576 2.500) 2.566 11.305 ( 0.078 0.576 2.500) 2.566 11.666 ( -0.680 -0.760 -0.140) 1.030 11.666 ( -0.680 0.760 -0.140) 1.030 11.922 ( -0.517 -1.159 1.365) 1.863 11.922 ( -0.517 1.159 1.365) 1.863 ======================= Grid point 93 (52/64) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 4.842 -2.571 3.277) 6.387 0.542 ( 4.842 2.571 3.277) 6.387 0.696 ( 0.645 -0.740 2.278) 2.481 0.696 ( 0.645 0.740 2.278) 2.481 0.767 ( 1.700 -2.877 1.850) 3.820 0.767 ( 1.700 2.877 1.850) 3.820 0.829 ( 5.159 -1.081 -2.095) 5.672 0.829 ( 5.159 1.081 -2.095) 5.672 0.906 ( -0.874 -1.458 -0.005) 1.700 0.906 ( -0.874 1.458 -0.005) 1.700 0.999 ( 2.510 -1.374 -0.136) 2.864 0.999 ( 2.510 1.374 -0.136) 2.864 1.055 ( 0.810 -2.828 -0.207) 2.949 1.055 ( 0.810 2.828 -0.207) 2.949 1.106 ( 0.124 -3.616 -0.292) 3.630 1.106 ( 0.124 3.616 -0.292) 3.630 1.162 ( -0.103 -0.862 0.753) 1.149 1.162 ( -0.103 0.862 0.753) 1.149 1.266 ( -0.885 -1.789 0.429) 2.042 1.266 ( -0.885 1.789 0.429) 2.042 1.300 ( -1.334 -2.310 -0.505) 2.715 1.300 ( -1.334 2.310 -0.505) 2.715 1.393 ( 0.910 -2.085 0.575) 2.346 1.393 ( 0.910 2.085 0.575) 2.346 1.447 ( -0.120 -0.227 2.685) 2.698 1.447 ( -0.120 0.227 2.685) 2.698 1.499 ( -2.397 -2.659 -2.531) 4.385 1.499 ( -2.397 2.659 -2.531) 4.385 1.623 ( -0.366 -1.435 0.194) 1.493 1.623 ( -0.366 1.435 0.194) 1.493 1.722 ( -2.027 -1.717 0.241) 2.668 1.722 ( -2.027 1.717 0.241) 2.668 1.869 ( -2.207 -2.387 0.646) 3.315 1.869 ( -2.207 2.387 0.646) 3.315 2.006 ( 0.190 -3.707 1.929) 4.183 2.006 ( 0.190 3.707 1.929) 4.183 2.345 ( -2.367 -4.683 -3.460) 6.285 2.345 ( -2.367 4.683 -3.460) 6.285 2.502 ( 0.566 -2.312 -3.076) 3.889 2.502 ( 0.566 2.312 -3.076) 3.889 2.792 ( 0.396 -1.595 -2.087) 2.656 2.792 ( 0.396 1.595 -2.087) 2.656 2.897 ( -1.579 -1.656 0.089) 2.290 2.897 ( -1.579 1.656 0.089) 2.290 3.035 ( 3.304 -2.657 2.360) 4.852 3.035 ( 3.304 2.657 2.360) 4.852 3.189 ( 0.238 -0.487 -1.425) 1.524 3.189 ( 0.238 0.487 -1.425) 1.524 3.297 ( -0.005 -1.073 -0.004) 1.073 3.297 ( -0.005 1.073 -0.004) 1.073 3.476 ( -2.567 -2.229 -1.092) 3.570 3.476 ( -2.567 2.229 -1.092) 3.570 3.822 ( -0.080 -4.198 1.448) 4.441 3.822 ( -0.080 4.198 1.448) 4.441 3.915 ( 0.419 -1.030 -0.639) 1.283 3.915 ( 0.419 1.030 -0.639) 1.283 4.243 ( -1.065 -3.327 0.075) 3.494 4.243 ( -1.065 3.327 0.075) 3.494 4.478 ( 1.837 -1.450 -0.328) 2.363 4.478 ( 1.837 1.450 -0.328) 2.363 4.808 ( -0.370 -3.048 -0.899) 3.199 4.808 ( -0.370 3.048 -0.899) 3.199 5.164 ( 3.292 -0.890 -0.064) 3.411 5.164 ( 3.292 0.890 -0.064) 3.411 5.273 ( 0.825 -2.023 -0.056) 2.186 5.273 ( 0.825 2.023 -0.056) 2.186 5.511 ( 2.497 -3.028 -1.168) 4.094 5.511 ( 2.497 3.028 -1.168) 4.094 5.792 ( -1.032 -2.588 0.782) 2.894 5.792 ( -1.032 2.588 0.782) 2.894 5.997 ( -2.275 -3.873 2.601) 5.191 5.997 ( -2.275 3.873 2.601) 5.191 6.129 ( -2.511 -0.921 -0.029) 2.674 6.129 ( -2.511 0.921 -0.029) 2.674 6.283 ( -2.008 -5.269 -2.368) 6.116 6.283 ( -2.008 5.269 -2.368) 6.116 6.985 ( 1.947 -2.346 1.947) 3.617 6.985 ( 1.947 2.346 1.947) 3.617 7.019 ( 0.860 -4.210 -0.201) 4.302 7.019 ( 0.860 4.210 -0.201) 4.302 10.229 ( 0.846 -0.568 -0.711) 1.242 10.229 ( 0.846 0.568 -0.711) 1.242 10.271 ( -0.351 -0.509 0.169) 0.641 10.271 ( -0.351 0.509 0.169) 0.641 10.512 ( 0.601 -1.936 1.415) 2.472 10.512 ( 0.601 1.936 1.415) 2.472 10.632 ( 0.251 -2.351 -3.291) 4.052 10.632 ( 0.251 2.351 -3.291) 4.052 11.037 ( -0.263 -0.074 -2.486) 2.501 11.037 ( -0.263 0.074 -2.486) 2.501 11.302 ( -0.628 -0.724 2.537) 2.712 11.302 ( -0.628 0.724 2.537) 2.712 11.669 ( 0.978 -0.527 1.087) 1.555 11.669 ( 0.978 0.527 1.087) 1.555 11.905 ( -1.245 -0.520 1.079) 1.727 11.905 ( -1.245 0.520 1.079) 1.727 ======================= Grid point 105 (53/64) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -0.594 0.000 -4.952) 4.988 0.644 ( 0.594 0.000 4.952) 4.988 0.706 ( 2.200 0.000 -0.943) 2.394 0.706 ( -2.200 0.000 0.943) 2.394 0.725 ( -3.224 0.000 -0.507) 3.264 0.725 ( 3.224 0.000 0.507) 3.264 0.853 ( -2.716 0.000 -0.553) 2.772 0.853 ( 2.716 0.000 0.553) 2.772 0.877 ( -3.367 0.000 -0.551) 3.412 0.877 ( 3.367 0.000 0.551) 3.412 0.959 ( 4.052 0.000 -2.035) 4.535 0.959 ( -4.052 0.000 2.035) 4.535 1.011 ( -2.073 0.000 0.683) 2.183 1.011 ( 2.073 0.000 -0.683) 2.183 1.090 ( -8.116 0.000 1.579) 8.268 1.090 ( 8.116 0.000 -1.579) 8.268 1.219 ( 1.585 0.000 -0.616) 1.700 1.219 ( -1.585 0.000 0.616) 1.700 1.272 ( -1.692 0.000 -0.082) 1.694 1.272 ( 1.692 0.000 0.082) 1.694 1.317 ( -3.767 0.000 -3.984) 5.483 1.317 ( 3.767 0.000 3.984) 5.483 1.384 ( -1.376 0.000 -0.406) 1.435 1.384 ( 1.376 0.000 0.406) 1.435 1.431 ( -1.351 0.000 -3.131) 3.410 1.431 ( 1.351 0.000 3.131) 3.410 1.528 ( 0.113 0.000 -0.945) 0.952 1.528 ( -0.113 0.000 0.945) 0.952 1.634 ( -0.291 0.000 -1.274) 1.306 1.634 ( 0.291 0.000 1.274) 1.306 1.721 ( 1.360 0.000 -1.116) 1.759 1.721 ( -1.360 0.000 1.116) 1.759 1.754 ( 2.931 0.000 -3.472) 4.544 1.754 ( -2.931 0.000 3.472) 4.544 1.995 ( -2.067 0.000 -3.272) 3.870 1.995 ( 2.067 0.000 3.272) 3.870 2.397 ( -2.332 0.000 -4.475) 5.046 2.397 ( 2.332 0.000 4.475) 5.046 2.547 ( -0.261 0.000 -7.456) 7.460 2.547 ( 0.261 0.000 7.456) 7.460 2.716 ( -0.223 0.000 -2.593) 2.602 2.716 ( 0.223 0.000 2.593) 2.602 2.995 ( -1.447 0.000 -0.751) 1.630 2.995 ( 1.447 0.000 0.751) 1.630 3.005 ( 1.966 0.000 -5.059) 5.427 3.005 ( -1.966 0.000 5.059) 5.427 3.217 ( -0.877 0.000 -1.386) 1.640 3.217 ( 0.877 0.000 1.386) 1.640 3.376 ( -6.220 0.000 1.914) 6.508 3.376 ( 6.220 0.000 -1.914) 6.508 3.427 ( -5.269 0.000 -5.368) 7.522 3.427 ( 5.269 0.000 5.368) 7.522 3.640 ( 0.182 0.000 -1.541) 1.551 3.640 ( -0.182 0.000 1.541) 1.551 3.935 ( -1.791 0.000 0.487) 1.856 3.935 ( 1.791 0.000 -0.487) 1.856 4.387 ( 5.315 0.000 -2.096) 5.714 4.387 ( -5.315 0.000 2.096) 5.714 4.544 ( -1.055 0.000 -1.847) 2.127 4.544 ( 1.055 0.000 1.847) 2.127 4.765 ( -2.215 0.000 -5.713) 6.127 4.765 ( 2.215 0.000 5.713) 6.127 5.216 ( -2.163 0.000 -1.211) 2.479 5.216 ( 2.163 0.000 1.211) 2.479 5.278 ( -1.765 0.000 -0.821) 1.946 5.278 ( 1.765 0.000 0.821) 1.946 5.438 ( -4.299 0.000 -2.708) 5.081 5.438 ( 4.299 0.000 2.708) 5.081 5.808 ( -0.230 0.000 -3.412) 3.420 5.808 ( 0.230 0.000 3.412) 3.420 6.024 ( -0.080 0.000 -1.869) 1.871 6.024 ( 0.080 0.000 1.869) 1.871 6.199 ( 4.710 0.000 -3.844) 6.080 6.199 ( -4.710 0.000 3.844) 6.080 6.327 ( 3.847 0.000 -10.178) 10.881 6.327 ( -3.847 0.000 10.178) 10.881 6.734 ( -2.340 0.000 0.330) 2.363 6.734 ( 2.340 0.000 -0.330) 2.363 7.259 ( -0.529 0.000 -0.393) 0.659 7.259 ( 0.529 0.000 0.393) 0.659 10.209 ( 0.278 0.000 -0.312) 0.418 10.209 ( -0.278 0.000 0.312) 0.418 10.251 ( -0.039 0.000 -0.299) 0.301 10.251 ( 0.039 0.000 0.299) 0.301 10.471 ( -0.613 0.000 -0.274) 0.672 10.471 ( 0.613 0.000 0.274) 0.672 10.615 ( -0.674 0.000 -1.499) 1.644 10.615 ( 0.674 0.000 1.499) 1.644 11.006 ( 0.660 0.000 -0.510) 0.834 11.006 ( -0.660 0.000 0.510) 0.834 11.315 ( 1.375 0.000 -0.777) 1.579 11.315 ( -1.375 0.000 0.777) 1.579 11.745 ( 0.291 0.000 -3.744) 3.755 11.745 ( -0.291 0.000 3.744) 3.755 11.948 ( 3.231 0.000 -2.462) 4.062 11.948 ( -3.231 0.000 2.462) 4.062 ======================= Grid point 107 (54/64) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -6.423 0.000 -8.006) 10.264 0.615 ( -2.060 0.000 -4.130) 4.615 0.663 ( 0.071 0.000 3.830) 3.831 0.667 ( -1.345 0.000 2.087) 2.483 0.756 ( 1.706 0.000 -0.973) 1.964 0.761 ( -0.529 0.000 -0.296) 0.606 0.794 ( -3.081 0.000 5.310) 6.139 0.825 ( -2.950 0.000 2.374) 3.786 0.836 ( -7.070 0.000 1.413) 7.210 0.872 ( -3.760 0.000 0.453) 3.788 0.899 ( 1.123 0.000 0.011) 1.123 0.955 ( -1.670 0.000 0.431) 1.725 1.010 ( 0.412 0.000 -0.050) 0.415 1.025 ( 1.622 0.000 0.002) 1.622 1.049 ( 1.490 0.000 0.514) 1.576 1.128 ( -4.415 0.000 -0.164) 4.418 1.188 ( 0.461 0.000 0.343) 0.575 1.223 ( 1.057 0.000 -6.168) 6.258 1.260 ( 0.223 0.000 -2.003) 2.016 1.274 ( -0.572 0.000 -1.615) 1.713 1.295 ( 1.775 0.000 0.269) 1.796 1.327 ( -3.483 0.000 1.943) 3.989 1.397 ( -1.313 0.000 -3.656) 3.885 1.428 ( 3.165 0.000 0.072) 3.166 1.441 ( 2.946 0.000 -2.232) 3.697 1.454 ( 1.687 0.000 2.334) 2.880 1.532 ( 1.191 0.000 2.951) 3.182 1.546 ( 0.810 0.000 3.580) 3.670 1.644 ( 0.862 0.000 0.018) 0.862 1.651 ( 1.805 0.000 -1.645) 2.442 1.704 ( -0.339 0.000 0.256) 0.425 1.727 ( 0.006 0.000 2.257) 2.257 1.769 ( 3.317 0.000 -1.409) 3.604 1.819 ( 3.514 0.000 -3.311) 4.828 1.979 ( 0.578 0.000 -1.696) 1.791 2.050 ( 2.007 0.000 3.944) 4.425 2.361 ( -0.093 0.000 -4.324) 4.325 2.439 ( 0.953 0.000 5.143) 5.231 2.532 ( -0.277 0.000 -7.166) 7.172 2.555 ( -0.600 0.000 6.778) 6.805 2.708 ( -0.250 0.000 -0.044) 0.253 2.725 ( 0.471 0.000 4.387) 4.412 2.931 ( -4.142 0.000 -0.785) 4.216 2.963 ( -3.581 0.000 -0.766) 3.662 3.000 ( -0.112 0.000 5.108) 5.109 3.048 ( 2.587 0.000 -3.505) 4.356 3.228 ( -3.953 0.000 2.114) 4.482 3.234 ( 0.697 0.000 -1.900) 2.024 3.313 ( 3.743 0.000 2.384) 4.438 3.316 ( -3.033 0.000 -2.653) 4.030 3.475 ( 3.459 0.000 -5.257) 6.293 3.512 ( 1.832 0.000 3.392) 3.855 3.662 ( 2.310 0.000 1.980) 3.042 3.671 ( 3.111 0.000 -1.395) 3.410 3.916 ( -0.273 0.000 -0.212) 0.346 3.972 ( 1.393 0.000 -0.877) 1.646 4.290 ( -4.095 0.000 2.036) 4.573 4.464 ( 0.701 0.000 -2.153) 2.265 4.497 ( -1.768 0.000 -0.646) 1.882 4.552 ( -0.168 0.000 2.921) 2.926 4.746 ( 1.262 0.000 -5.018) 5.175 4.824 ( 2.607 0.000 4.656) 5.336 5.157 ( -2.814 0.000 -0.939) 2.967 5.191 ( -3.357 0.000 0.814) 3.454 5.293 ( -1.076 0.000 1.008) 1.474 5.302 ( -4.202 0.000 -5.311) 6.772 5.315 ( 1.005 0.000 1.391) 1.717 5.417 ( -5.735 0.000 -0.725) 5.781 5.807 ( 0.711 0.000 -3.226) 3.303 5.843 ( 3.288 0.000 4.161) 5.303 6.059 ( -7.947 0.000 4.492) 9.129 6.070 ( 2.906 0.000 -3.002) 4.178 6.103 ( 5.910 0.000 2.711) 6.502 6.229 ( 0.708 0.000 -5.088) 5.137 6.350 ( 3.663 0.000 9.566) 10.243 6.428 ( 4.952 0.000 -8.109) 9.501 6.710 ( 0.916 0.000 0.237) 0.946 6.777 ( 2.049 0.000 -0.749) 2.181 7.207 ( -4.260 0.000 -1.745) 4.603 7.225 ( -3.865 0.000 0.684) 3.925 10.208 ( 0.201 0.000 0.209) 0.290 10.216 ( 0.485 0.000 -0.286) 0.563 10.248 ( -0.159 0.000 -0.242) 0.289 10.251 ( -0.082 0.000 0.484) 0.491 10.459 ( -0.486 0.000 -0.132) 0.504 10.478 ( -0.142 0.000 0.232) 0.272 10.601 ( -0.349 0.000 -1.276) 1.323 10.623 ( -0.073 0.000 1.351) 1.353 11.000 ( 0.007 0.000 1.205) 1.205 11.017 ( 0.362 0.000 -0.349) 0.502 11.305 ( 0.229 0.000 1.086) 1.110 11.346 ( 1.314 0.000 1.067) 1.692 11.712 ( -2.819 0.000 1.202) 3.064 11.727 ( -1.276 0.000 -3.809) 4.017 11.925 ( 0.757 0.000 2.184) 2.311 12.002 ( 1.890 0.000 -4.243) 4.645 ======================= Grid point 108 (55/64) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -0.897 0.000 -5.796) 5.865 0.546 ( -3.998 0.000 2.271) 4.598 0.640 ( -2.495 0.000 -0.590) 2.563 0.644 ( -3.161 0.000 0.420) 3.188 0.705 ( 0.845 0.000 -3.488) 3.589 0.754 ( -1.482 0.000 2.846) 3.208 0.760 ( -2.712 0.000 4.200) 5.000 0.769 ( -1.487 0.000 -1.347) 2.006 0.794 ( 1.930 0.000 3.085) 3.639 0.831 ( -0.964 0.000 -1.051) 1.427 0.896 ( -0.778 0.000 -1.173) 1.408 0.913 ( -2.443 0.000 0.050) 2.443 1.013 ( 0.900 0.000 1.281) 1.565 1.033 ( -0.431 0.000 -0.679) 0.804 1.107 ( 2.821 0.000 0.799) 2.932 1.119 ( 1.539 0.000 -0.144) 1.546 1.204 ( 0.556 0.000 -2.125) 2.196 1.214 ( 0.956 0.000 4.873) 4.966 1.245 ( -1.225 0.000 -4.914) 5.065 1.251 ( -2.287 0.000 -1.848) 2.940 1.275 ( -0.414 0.000 0.196) 0.458 1.311 ( -2.616 0.000 -0.229) 2.626 1.393 ( 2.444 0.000 -0.552) 2.506 1.433 ( -1.176 0.000 -0.906) 1.484 1.472 ( 0.964 0.000 -1.040) 1.418 1.482 ( -0.096 0.000 0.993) 0.997 1.575 ( 1.585 0.000 4.468) 4.740 1.580 ( 1.809 0.000 -0.452) 1.864 1.659 ( 0.142 0.000 1.912) 1.917 1.665 ( -0.162 0.000 -2.412) 2.418 1.722 ( 1.823 0.000 0.447) 1.877 1.740 ( 0.478 0.000 -0.744) 0.885 1.832 ( 2.866 0.000 -0.930) 3.013 1.859 ( 0.439 0.000 -0.685) 0.813 2.006 ( 2.359 0.000 -2.580) 3.496 2.052 ( -2.102 0.000 3.695) 4.251 2.395 ( 3.511 0.000 -4.644) 5.822 2.442 ( -1.365 0.000 5.138) 5.317 2.523 ( 0.328 0.000 -6.664) 6.672 2.537 ( -1.813 0.000 6.247) 6.505 2.720 ( 1.509 0.000 1.336) 2.015 2.742 ( 0.060 0.000 4.106) 4.107 2.860 ( -2.538 0.000 0.358) 2.563 2.869 ( -3.751 0.000 -5.227) 6.433 3.041 ( 3.153 0.000 7.634) 8.260 3.086 ( 1.270 0.000 -4.785) 4.951 3.157 ( -2.761 0.000 1.601) 3.192 3.162 ( -4.209 0.000 -4.052) 5.842 3.365 ( 4.574 0.000 1.107) 4.706 3.404 ( 2.430 0.000 3.037) 3.890 3.506 ( 0.543 0.000 -5.656) 5.682 3.506 ( -1.313 0.000 1.695) 2.144 3.720 ( 2.281 0.000 3.258) 3.977 3.727 ( 1.943 0.000 -1.930) 2.738 3.920 ( 1.028 0.000 -1.276) 1.639 3.960 ( -2.453 0.000 0.350) 2.477 4.273 ( 2.590 0.000 1.190) 2.851 4.368 ( -6.130 0.000 -1.048) 6.219 4.529 ( 1.781 0.000 -2.036) 2.705 4.548 ( -0.671 0.000 2.794) 2.874 4.795 ( 3.704 0.000 -2.095) 4.255 4.850 ( -1.123 0.000 2.116) 2.396 5.124 ( -0.283 0.000 0.245) 0.374 5.141 ( -1.415 0.000 -0.481) 1.494 5.197 ( -1.537 0.000 0.848) 1.755 5.261 ( -6.281 0.000 -1.560) 6.472 5.329 ( 1.235 0.000 -1.753) 2.144 5.342 ( -0.472 0.000 -0.069) 0.477 5.833 ( 2.407 0.000 -3.609) 4.338 5.886 ( -2.377 0.000 4.137) 4.771 5.988 ( 2.684 0.000 4.408) 5.161 6.069 ( -2.803 0.000 -3.717) 4.656 6.195 ( 2.792 0.000 4.963) 5.694 6.229 ( -0.294 0.000 -5.055) 5.064 6.441 ( 3.072 0.000 8.630) 9.160 6.469 ( 0.859 0.000 -8.201) 8.246 6.775 ( 4.216 0.000 0.715) 4.276 6.810 ( 1.005 0.000 -1.172) 1.544 7.122 ( -2.903 0.000 -2.821) 4.048 7.137 ( -4.293 0.000 2.169) 4.810 10.216 ( 0.511 0.000 0.022) 0.511 10.222 ( 0.007 0.000 -0.061) 0.061 10.246 ( 0.027 0.000 -0.477) 0.478 10.248 ( -0.224 0.000 0.615) 0.654 10.456 ( 0.225 0.000 0.011) 0.225 10.467 ( -0.773 0.000 0.007) 0.773 10.603 ( 0.618 0.000 -0.941) 1.126 10.616 ( -0.721 0.000 1.024) 1.253 11.008 ( 0.481 0.000 1.361) 1.444 11.017 ( -0.255 0.000 -0.930) 0.964 11.323 ( 1.439 0.000 0.168) 1.449 11.351 ( -1.039 0.000 1.240) 1.618 11.680 ( -0.231 0.000 0.955) 0.983 11.696 ( -1.277 0.000 -2.783) 3.062 11.963 ( 2.238 0.000 3.256) 3.951 12.003 ( -1.072 0.000 -4.163) 4.299 ======================= Grid point 111 (56/64) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.622 1.017 -2.862) 3.101 0.655 ( -0.622 1.017 2.862) 3.101 0.685 ( -1.626 -1.525 -0.160) 2.235 0.685 ( 1.626 -1.525 0.160) 2.235 0.741 ( -2.668 1.679 -2.206) 3.848 0.741 ( 2.668 1.679 2.206) 3.848 0.869 ( -2.582 0.922 -2.383) 3.633 0.869 ( 2.582 0.922 2.383) 3.633 0.910 ( -0.081 3.219 -0.604) 3.276 0.910 ( 0.081 3.219 0.604) 3.276 0.973 ( 3.046 1.352 -2.438) 4.129 0.973 ( -3.046 1.352 2.438) 4.129 1.017 ( -1.029 0.924 -1.599) 2.115 1.017 ( 1.029 0.924 1.599) 2.115 1.088 ( -6.575 -0.253 -0.806) 6.629 1.088 ( 6.575 -0.253 0.806) 6.629 1.212 ( -0.253 -0.791 -0.837) 1.179 1.212 ( 0.253 -0.791 0.837) 1.179 1.238 ( -1.908 -2.686 -1.383) 3.573 1.238 ( 1.908 -2.686 1.383) 3.573 1.335 ( -3.084 1.245 -2.449) 4.130 1.335 ( 3.084 1.245 2.449) 4.130 1.366 ( -1.208 -1.379 -1.518) 2.380 1.366 ( 1.208 -1.379 1.518) 2.380 1.447 ( -1.061 1.237 -2.373) 2.878 1.447 ( 1.061 1.237 2.373) 2.878 1.528 ( -2.114 -0.130 -0.383) 2.152 1.528 ( 2.114 -0.130 0.383) 2.152 1.651 ( 0.768 1.024 -1.350) 1.860 1.651 ( -0.768 1.024 1.350) 1.860 1.675 ( 1.178 -2.637 -3.843) 4.807 1.675 ( -1.178 -2.637 3.843) 4.807 1.791 ( 1.911 2.462 -4.047) 5.108 1.791 ( -1.911 2.462 4.047) 5.108 2.004 ( -2.236 0.941 -3.402) 4.178 2.004 ( 2.236 0.941 3.402) 4.178 2.364 ( -2.307 -3.323 -4.778) 6.260 2.364 ( 2.307 -3.323 4.778) 6.260 2.536 ( -0.093 -1.422 -5.576) 5.755 2.536 ( 0.093 -1.422 5.576) 5.755 2.718 ( -0.717 0.166 -2.316) 2.430 2.718 ( 0.717 0.166 2.316) 2.430 2.974 ( 0.734 -1.937 -1.890) 2.804 2.974 ( -0.734 -1.937 1.890) 2.804 3.024 ( -0.066 1.721 -3.708) 4.089 3.024 ( 0.066 1.721 3.708) 4.089 3.229 ( -2.382 0.853 -0.872) 2.677 3.229 ( 2.382 0.853 0.872) 2.677 3.306 ( -3.137 -4.177 -2.055) 5.613 3.306 ( 3.137 -4.177 2.055) 5.613 3.450 ( -4.743 0.286 -1.723) 5.055 3.450 ( 4.743 0.286 1.723) 5.055 3.689 ( 0.019 4.626 -2.391) 5.207 3.689 ( -0.019 4.626 2.391) 5.207 3.932 ( 0.276 -0.079 -0.853) 0.900 3.932 ( -0.276 -0.079 0.853) 0.900 4.349 ( -1.038 -3.907 -2.018) 4.518 4.349 ( 1.038 -3.907 2.018) 4.518 4.540 ( -0.496 -0.509 -1.954) 2.079 4.540 ( 0.496 -0.509 1.954) 2.079 4.771 ( -2.155 0.563 -4.920) 5.401 4.771 ( 2.155 0.563 4.920) 5.401 5.208 ( -2.112 -0.777 0.099) 2.252 5.208 ( 2.112 -0.777 -0.099) 2.252 5.300 ( -1.548 1.602 -1.487) 2.678 5.300 ( 1.548 1.602 1.487) 2.678 5.454 ( -3.743 1.894 -3.031) 5.175 5.454 ( 3.743 1.894 3.031) 5.175 5.800 ( -0.249 -0.609 -2.663) 2.743 5.800 ( 0.249 -0.609 2.663) 2.743 6.023 ( -0.205 -0.306 -1.717) 1.756 6.023 ( 0.205 -0.306 1.717) 1.756 6.152 ( -0.443 -3.685 -1.408) 3.970 6.152 ( 0.443 -3.685 1.408) 3.970 6.306 ( 1.430 -2.298 -8.037) 8.481 6.306 ( -1.430 -2.298 8.037) 8.481 6.791 ( -0.735 5.467 -0.715) 5.562 6.791 ( 0.735 5.467 0.715) 5.562 7.225 ( -0.124 -3.505 -0.847) 3.608 7.225 ( 0.124 -3.505 0.847) 3.608 10.214 ( 0.030 0.529 -0.262) 0.591 10.214 ( -0.030 0.529 0.262) 0.591 10.260 ( 0.050 0.786 -0.635) 1.011 10.260 ( -0.050 0.786 0.635) 1.011 10.483 ( -0.441 1.307 -0.590) 1.500 10.483 ( 0.441 1.307 0.590) 1.500 10.612 ( -0.540 -0.383 -1.940) 2.050 10.612 ( 0.540 -0.383 1.940) 2.050 11.005 ( 0.518 -0.083 -0.399) 0.658 11.005 ( -0.518 -0.083 0.399) 0.658 11.316 ( 0.902 0.133 -0.702) 1.151 11.316 ( -0.902 0.133 0.702) 1.151 11.735 ( 0.399 -1.054 -3.178) 3.372 11.735 ( -0.399 -1.054 3.178) 3.372 11.935 ( 2.448 -1.260 -1.856) 3.320 11.935 ( -2.448 -1.260 1.856) 3.320 ======================= Grid point 113 (57/64) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -5.503 -0.942 -3.837) 6.775 0.640 ( -2.577 0.591 -2.903) 3.927 0.657 ( -1.935 -0.522 0.437) 2.051 0.683 ( 0.582 2.237 1.846) 2.958 0.724 ( -0.286 -0.321 -0.246) 0.496 0.774 ( 0.503 0.598 -0.001) 0.781 0.803 ( -3.247 0.435 2.651) 4.214 0.844 ( -7.458 1.045 0.684) 7.562 0.865 ( -3.855 2.975 1.654) 5.143 0.887 ( -2.495 1.634 0.530) 3.029 0.925 ( 0.179 2.065 -0.468) 2.125 0.947 ( -1.346 -0.257 0.522) 1.466 1.007 ( 0.338 -0.091 -0.120) 0.370 1.037 ( -1.057 0.836 -0.386) 1.402 1.068 ( 1.820 1.625 -0.070) 2.441 1.134 ( -2.048 0.637 0.280) 2.163 1.179 ( 1.394 -0.627 -0.129) 1.534 1.214 ( 0.476 -1.151 -2.499) 2.792 1.234 ( 0.014 -2.232 -1.105) 2.491 1.269 ( 1.912 -0.326 0.045) 1.940 1.297 ( -1.171 0.125 -1.704) 2.071 1.333 ( -1.531 0.398 -0.285) 1.607 1.408 ( 0.064 -0.468 -1.845) 1.905 1.410 ( 0.338 -0.607 -0.564) 0.894 1.432 ( 3.173 0.469 -1.389) 3.496 1.466 ( 1.239 0.338 1.013) 1.636 1.515 ( 1.329 -1.051 4.179) 4.510 1.575 ( 1.814 1.560 1.799) 2.994 1.616 ( -0.896 -1.225 -0.479) 1.591 1.648 ( 0.151 -1.915 -1.505) 2.440 1.706 ( 2.145 0.415 2.157) 3.070 1.739 ( 3.691 0.002 -3.283) 4.940 1.779 ( 0.993 2.485 3.549) 4.445 1.839 ( 2.870 1.701 -3.777) 5.039 1.979 ( -0.058 0.183 -1.862) 1.872 2.057 ( 1.620 0.651 3.503) 3.914 2.331 ( 0.448 -2.637 -3.669) 4.540 2.423 ( 2.328 -2.168 4.151) 5.230 2.510 ( -1.077 -1.825 -1.635) 2.676 2.552 ( 0.022 -1.011 0.819) 1.301 2.705 ( -0.166 -0.019 0.995) 1.009 2.735 ( 0.533 0.768 4.009) 4.117 2.929 ( -3.148 -0.238 0.547) 3.204 2.962 ( -2.699 -0.425 -0.970) 2.900 3.018 ( -0.181 2.125 3.046) 3.718 3.034 ( 1.082 -1.311 -2.698) 3.189 3.178 ( -2.899 -3.059 0.843) 4.298 3.258 ( -2.749 0.428 -4.216) 5.052 3.303 ( 5.294 0.902 2.590) 5.963 3.350 ( -1.982 1.351 -0.562) 2.464 3.375 ( 2.693 -6.430 1.074) 7.053 3.536 ( 2.361 0.446 -1.678) 2.931 3.692 ( 1.630 3.094 0.186) 3.502 3.736 ( 2.942 5.231 1.179) 6.116 3.912 ( -0.451 -0.153 -0.323) 0.575 3.962 ( 0.851 -1.073 -1.403) 1.960 4.267 ( -2.941 -2.140 0.987) 3.769 4.429 ( 3.380 -4.282 -1.394) 5.631 4.487 ( -4.450 -0.505 -0.251) 4.485 4.541 ( -0.983 -1.295 2.460) 2.949 4.750 ( 1.050 0.527 -3.714) 3.895 4.823 ( 2.184 -0.217 4.204) 4.743 5.156 ( -2.659 0.231 -0.216) 2.678 5.220 ( -1.973 2.011 -0.388) 2.844 5.241 ( -4.401 -3.009 -3.811) 6.553 5.300 ( -0.032 0.415 0.482) 0.637 5.383 ( -1.175 3.979 -0.477) 4.176 5.436 ( -5.811 2.298 0.979) 6.325 5.801 ( 0.727 -0.525 -2.876) 3.012 5.836 ( 3.195 -0.623 3.169) 4.543 6.012 ( -3.289 -3.076 1.323) 4.693 6.098 ( 5.554 -0.216 2.548) 6.114 6.117 ( 0.870 3.222 -0.541) 3.381 6.207 ( 0.704 -2.133 -3.938) 4.533 6.260 ( 3.170 -7.348 4.318) 9.093 6.418 ( 4.761 -2.167 -3.610) 6.356 6.762 ( -0.003 5.079 0.495) 5.103 6.829 ( 1.664 4.834 -0.826) 5.179 7.183 ( -3.763 -2.716 -1.415) 4.852 7.191 ( -3.528 -3.413 0.839) 4.980 10.207 ( -0.153 0.038 0.128) 0.203 10.224 ( 0.302 0.515 -0.030) 0.597 10.253 ( -0.288 0.497 0.095) 0.582 10.264 ( 0.017 1.062 -0.065) 1.064 10.468 ( -0.540 1.015 -0.161) 1.161 10.492 ( -0.098 1.552 0.223) 1.571 10.596 ( -0.307 -0.501 -1.052) 1.205 10.623 ( 0.057 -0.110 1.190) 1.196 11.001 ( 0.071 0.083 1.037) 1.042 11.016 ( 0.382 -0.146 -0.211) 0.460 11.307 ( 0.171 0.246 0.940) 0.986 11.342 ( 1.072 -0.381 0.810) 1.397 11.704 ( -2.400 -0.755 0.904) 2.673 11.719 ( -1.180 -0.770 -3.385) 3.666 11.920 ( 0.837 -0.454 1.908) 2.132 11.981 ( 1.818 -1.992 -3.240) 4.215 ======================= Grid point 114 (58/64) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -0.158 0.463 -4.926) 4.950 0.571 ( -5.018 0.786 -1.000) 5.177 0.612 ( -1.363 -0.409 5.084) 5.280 0.648 ( -3.747 -0.242 -1.507) 4.046 0.718 ( 0.954 1.104 -4.597) 4.823 0.742 ( -2.326 -0.758 3.774) 4.497 0.779 ( -0.476 0.737 -0.141) 0.888 0.782 ( -0.425 0.954 -0.526) 1.170 0.814 ( -0.041 2.533 4.637) 5.284 0.845 ( -1.252 2.461 -1.228) 3.022 0.899 ( -1.775 -0.306 -1.707) 2.482 0.909 ( -2.587 0.183 0.900) 2.745 1.015 ( 0.441 0.077 1.341) 1.414 1.021 ( 0.247 -1.074 -1.350) 1.743 1.111 ( 2.369 1.166 1.473) 3.024 1.143 ( 0.348 1.610 -1.901) 2.515 1.195 ( 0.537 -0.920 1.211) 1.613 1.209 ( 0.085 -0.944 0.256) 0.982 1.241 ( 0.518 -0.224 -0.878) 1.043 1.258 ( -1.802 -0.528 0.120) 1.882 1.288 ( 0.845 2.213 -2.710) 3.600 1.327 ( -2.180 1.444 -0.187) 2.622 1.377 ( 1.120 -1.477 0.666) 1.970 1.407 ( -1.231 -1.566 -1.058) 2.255 1.475 ( 1.455 0.430 -1.078) 1.861 1.490 ( -0.051 -0.041 0.346) 0.352 1.564 ( 2.275 -0.732 3.444) 4.192 1.587 ( 0.114 0.764 0.092) 0.778 1.631 ( 0.882 -2.410 0.419) 2.600 1.644 ( -0.406 -2.102 -1.806) 2.801 1.751 ( 1.956 1.778 1.263) 2.929 1.769 ( 0.321 1.968 -0.891) 2.184 1.839 ( 3.223 1.207 0.878) 3.552 1.873 ( 0.331 1.553 -2.214) 2.725 1.996 ( 2.203 -0.843 -1.960) 3.066 2.048 ( -2.636 -0.425 2.948) 3.977 2.377 ( 3.936 -1.421 -3.167) 5.248 2.436 ( -1.778 -0.878 2.851) 3.473 2.507 ( 1.083 -1.449 -0.256) 1.827 2.536 ( -1.562 -0.650 0.291) 1.717 2.721 ( 1.571 0.224 2.121) 2.649 2.746 ( -0.282 0.334 2.958) 2.990 2.874 ( -1.931 1.465 0.868) 2.575 2.887 ( -3.203 1.767 -4.593) 5.872 3.038 ( 1.908 -0.517 5.644) 5.980 3.061 ( 1.183 -2.085 -3.553) 4.287 3.132 ( -1.330 -2.194 1.791) 3.128 3.172 ( -4.259 0.699 -4.096) 5.950 3.366 ( 2.015 -0.280 1.368) 2.451 3.388 ( 0.853 -2.150 -1.886) 2.985 3.444 ( 5.212 -2.338 5.923) 8.229 3.531 ( -2.313 0.453 -4.672) 5.233 3.745 ( 3.081 2.699 -0.254) 4.104 3.776 ( 0.332 3.943 1.578) 4.260 3.911 ( 0.648 -0.732 -1.079) 1.456 3.944 ( -2.256 -1.736 -0.293) 2.862 4.270 ( 3.247 -0.166 0.478) 3.286 4.370 ( -6.257 0.119 -0.399) 6.271 4.485 ( 2.190 -4.302 -2.095) 5.262 4.518 ( -1.590 -3.121 2.678) 4.409 4.797 ( 3.429 0.072 -0.857) 3.536 4.846 ( -0.862 -0.686 1.684) 2.012 5.113 ( -1.036 -0.266 0.540) 1.199 5.141 ( -3.395 -1.131 -2.252) 4.228 5.211 ( 1.642 2.376 -0.070) 2.889 5.295 ( -6.002 3.042 0.042) 6.729 5.332 ( 1.226 -0.008 -2.147) 2.473 5.363 ( -1.503 1.809 1.225) 2.652 5.825 ( 2.113 -0.730 -3.227) 3.926 5.868 ( -1.905 -1.728 3.376) 4.244 6.000 ( 3.731 1.199 2.731) 4.776 6.091 ( -3.734 1.974 -2.281) 4.801 6.182 ( 2.454 -1.097 4.361) 5.123 6.210 ( 0.019 -1.668 -3.717) 4.074 6.378 ( 6.115 -5.035 1.635) 8.088 6.453 ( -0.978 -2.501 -2.168) 3.451 6.805 ( 3.625 3.195 0.782) 4.895 6.849 ( -0.024 3.437 -1.108) 3.611 7.105 ( -2.747 -1.963 -2.084) 3.968 7.114 ( -3.561 -2.220 1.754) 4.548 10.210 ( 0.430 -0.421 -0.074) 0.606 10.221 ( -0.563 -0.311 0.217) 0.678 10.255 ( 0.357 0.920 -0.075) 0.990 10.261 ( -0.250 1.077 0.007) 1.106 10.465 ( 0.364 1.003 -0.239) 1.093 10.480 ( -0.988 1.249 0.261) 1.613 10.602 ( 0.821 -0.125 -0.874) 1.206 10.617 ( -0.737 0.036 0.971) 1.219 11.008 ( 0.463 0.105 1.165) 1.258 11.017 ( -0.193 -0.016 -0.738) 0.763 11.323 ( 1.215 -0.060 0.133) 1.224 11.346 ( -0.874 -0.498 1.009) 1.425 11.677 ( -0.200 -0.294 0.789) 0.866 11.691 ( -1.158 -0.501 -2.426) 2.735 11.954 ( 1.922 -0.816 2.778) 3.475 11.987 ( -0.726 -1.571 -3.397) 3.812 ======================= Grid point 117 (59/64) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -1.281 -1.072 -0.708) 1.814 0.649 ( 1.281 -1.072 0.708) 1.814 0.689 ( -1.198 1.198 -0.754) 1.854 0.689 ( 1.198 1.198 0.754) 1.854 0.786 ( -2.333 3.202 -2.516) 4.692 0.786 ( 2.333 3.202 2.516) 4.692 0.878 ( -1.637 -0.163 -2.790) 3.239 0.878 ( 1.637 -0.163 2.790) 3.239 0.948 ( -0.886 0.352 -1.678) 1.930 0.948 ( 0.886 0.352 1.678) 1.930 1.009 ( -1.721 2.520 -1.696) 3.491 1.009 ( 1.721 2.520 1.696) 3.491 1.052 ( -2.227 2.084 0.410) 3.078 1.052 ( 2.227 2.084 -0.410) 3.078 1.084 ( -4.420 0.233 -2.732) 5.202 1.084 ( 4.420 0.233 2.732) 5.202 1.178 ( -2.649 -2.899 -0.725) 3.993 1.178 ( 2.649 -2.899 0.725) 3.993 1.208 ( -2.480 -0.028 -0.816) 2.611 1.208 ( 2.480 -0.028 0.816) 2.611 1.337 ( -0.359 -1.451 -1.540) 2.147 1.337 ( 0.359 -1.451 1.540) 2.147 1.361 ( -2.832 0.996 -1.773) 3.487 1.361 ( 2.832 0.996 1.773) 3.487 1.461 ( -0.646 0.065 -0.827) 1.052 1.461 ( 0.646 0.065 0.827) 1.052 1.521 ( -4.308 -0.433 -0.974) 4.438 1.521 ( 4.308 -0.433 0.974) 4.438 1.614 ( -1.457 -2.080 -2.157) 3.332 1.614 ( 1.457 -2.080 2.157) 3.332 1.694 ( 0.152 1.704 -1.512) 2.284 1.694 ( -0.152 1.704 1.512) 2.284 1.832 ( 1.263 1.773 -2.915) 3.638 1.832 ( -1.263 1.773 2.915) 3.638 2.030 ( -1.866 1.733 -3.271) 4.145 2.030 ( 1.866 1.733 3.271) 4.145 2.292 ( -1.697 -3.851 -4.466) 6.136 2.292 ( 1.697 -3.851 4.466) 6.136 2.499 ( 0.253 -2.139 -2.756) 3.498 2.499 ( -0.253 -2.139 2.756) 3.498 2.722 ( -0.975 0.284 -1.443) 1.765 2.722 ( 0.975 0.284 1.443) 1.765 2.928 ( 0.221 -2.663 -2.000) 3.338 2.928 ( -0.221 -2.663 2.000) 3.338 3.068 ( -0.672 3.006 -3.682) 4.800 3.068 ( 0.672 3.006 3.682) 4.800 3.196 ( -2.044 -3.666 -1.533) 4.469 3.196 ( 2.044 -3.666 1.533) 4.469 3.302 ( 0.599 2.653 -3.630) 4.535 3.302 ( -0.599 2.653 3.630) 4.535 3.434 ( -4.008 -1.739 -0.662) 4.419 3.434 ( 4.008 -1.739 0.662) 4.419 3.787 ( -1.388 5.536 -2.332) 6.166 3.787 ( 1.388 5.536 2.332) 6.166 3.930 ( 0.530 -0.693 -1.681) 1.894 3.930 ( -0.530 -0.693 1.681) 1.894 4.267 ( -0.666 -3.920 -2.817) 4.873 4.267 ( 0.666 -3.920 2.817) 4.873 4.517 ( -0.270 -1.907 -1.073) 2.205 4.517 ( 0.270 -1.907 1.073) 2.205 4.782 ( -1.421 0.477 -2.860) 3.229 4.782 ( 1.421 0.477 2.860) 3.229 5.188 ( 0.774 -1.172 -0.936) 1.688 5.188 ( -0.774 -1.172 0.936) 1.688 5.325 ( -0.522 1.122 -1.778) 2.166 5.325 ( 0.522 1.122 1.778) 2.166 5.499 ( -2.272 2.328 -3.302) 4.635 5.499 ( 2.272 2.328 3.302) 4.635 5.795 ( -0.350 0.149 -1.347) 1.400 5.795 ( 0.350 0.149 1.347) 1.400 5.997 ( -2.731 -2.341 -1.150) 3.777 5.997 ( 2.731 -2.341 1.150) 3.777 6.115 ( 0.845 0.068 -1.256) 1.515 6.115 ( -0.845 0.068 1.256) 1.515 6.251 ( 0.135 -3.210 -5.077) 6.008 6.251 ( -0.135 -3.210 5.077) 6.008 6.907 ( 0.231 6.686 -1.020) 6.767 6.907 ( -0.231 6.686 1.020) 6.767 7.140 ( 0.597 -5.469 -1.300) 5.653 7.140 ( -0.597 -5.469 1.300) 5.653 10.225 ( -0.332 0.593 -0.130) 0.692 10.225 ( 0.332 0.593 0.130) 0.692 10.269 ( 0.029 0.058 -0.602) 0.605 10.269 ( -0.029 0.058 0.602) 0.605 10.519 ( -0.243 2.439 -1.962) 3.140 10.519 ( 0.243 2.439 1.962) 3.140 10.598 ( -0.400 -1.225 -2.556) 2.862 10.598 ( 0.400 -1.225 2.556) 2.862 11.004 ( 0.193 -0.026 -0.164) 0.254 11.004 ( -0.193 -0.026 0.164) 0.254 11.320 ( 0.390 0.200 -0.483) 0.652 11.320 ( -0.390 0.200 0.483) 0.652 11.712 ( 0.391 -1.148 -1.739) 2.120 11.712 ( -0.391 -1.148 1.739) 2.120 11.912 ( 1.056 -1.015 -0.854) 1.696 11.912 ( -1.056 -1.015 0.854) 1.696 ======================= Grid point 119 (60/64) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -4.354 -0.309 -1.042) 4.488 0.603 ( -3.959 -2.030 -0.613) 4.492 0.689 ( -0.915 2.179 0.342) 2.388 0.728 ( -0.238 0.520 0.031) 0.573 0.738 ( -0.224 2.391 -0.707) 2.503 0.792 ( -1.880 1.942 -1.296) 2.998 0.814 ( -5.933 0.574 -0.883) 6.026 0.864 ( -5.061 0.027 -1.771) 5.362 0.875 ( -1.496 -0.500 2.312) 2.799 0.932 ( -0.432 0.716 0.911) 1.237 0.955 ( -3.684 2.221 -0.552) 4.337 0.985 ( -0.988 3.864 -0.234) 3.995 1.006 ( -1.491 0.015 -0.223) 1.507 1.043 ( -2.745 0.171 0.073) 2.751 1.094 ( 1.517 0.544 -0.228) 1.627 1.143 ( 0.986 -0.776 1.172) 1.717 1.176 ( -0.363 -0.939 -1.478) 1.788 1.185 ( 2.864 0.725 -1.329) 3.239 1.214 ( 0.797 0.802 1.878) 2.192 1.253 ( 1.163 -1.162 0.073) 1.646 1.310 ( -0.460 0.499 -1.000) 1.209 1.328 ( -0.121 -1.043 -0.791) 1.315 1.378 ( 2.120 -0.966 -0.098) 2.332 1.430 ( -2.789 1.529 -1.803) 3.656 1.447 ( 2.880 -1.417 1.859) 3.709 1.454 ( 0.690 0.446 -0.375) 0.903 1.494 ( 1.528 -0.921 1.152) 2.124 1.561 ( -0.546 -4.196 -1.141) 4.383 1.594 ( 1.897 1.181 0.914) 2.415 1.643 ( -1.140 0.208 -0.653) 1.330 1.706 ( 3.664 0.764 0.344) 3.758 1.748 ( 3.332 0.104 -1.419) 3.623 1.829 ( 0.737 2.461 3.379) 4.245 1.865 ( 2.245 0.738 -2.066) 3.139 1.999 ( -0.778 2.148 -2.442) 3.344 2.066 ( 0.358 -0.018 1.706) 1.743 2.288 ( 2.401 -1.447 -2.330) 3.646 2.360 ( 3.878 -4.072 3.146) 6.444 2.478 ( -0.931 -1.243 0.077) 1.555 2.516 ( 0.462 -2.540 -1.221) 2.856 2.714 ( 0.206 1.073 1.780) 2.088 2.747 ( 0.890 0.379 3.202) 3.345 2.914 ( -0.769 -1.404 1.041) 1.909 2.932 ( -0.339 -2.518 -0.627) 2.617 3.028 ( -2.414 1.088 -1.470) 3.028 3.080 ( -0.002 4.352 1.237) 4.524 3.118 ( -3.522 -3.328 0.955) 4.939 3.245 ( -0.622 -3.400 -3.107) 4.648 3.291 ( 1.036 -0.472 1.955) 2.262 3.320 ( 0.629 0.074 -1.057) 1.232 3.389 ( 1.503 3.224 1.320) 3.794 3.522 ( 3.068 -2.012 -0.745) 3.743 3.764 ( 0.346 4.392 -0.637) 4.451 3.832 ( 1.888 4.827 1.727) 5.463 3.916 ( -0.808 0.302 -0.222) 0.891 3.927 ( -0.867 -2.948 -1.988) 3.660 4.235 ( 0.207 -0.568 -0.523) 0.799 4.332 ( 3.384 -5.358 -1.133) 6.438 4.469 ( -3.945 -1.345 0.784) 4.242 4.504 ( -2.457 -2.590 1.566) 3.898 4.765 ( 0.414 0.993 -1.201) 1.613 4.810 ( 0.921 -1.208 2.856) 3.234 5.162 ( -1.679 0.248 0.247) 1.715 5.189 ( -2.192 -1.711 -2.666) 3.852 5.264 ( -3.096 1.808 -1.036) 3.732 5.298 ( -1.215 -0.548 -0.214) 1.350 5.451 ( -2.431 3.313 -1.655) 4.430 5.486 ( -4.987 2.095 2.542) 5.977 5.796 ( 0.646 0.168 -1.834) 1.952 5.826 ( 2.129 -0.646 0.956) 2.422 5.972 ( 0.463 -0.379 0.785) 0.987 6.093 ( 6.154 -1.514 2.249) 6.724 6.131 ( 1.516 -4.792 2.533) 5.628 6.161 ( 1.441 -2.132 -1.617) 3.039 6.188 ( 1.363 3.814 -1.206) 4.226 6.354 ( 4.468 -4.381 -2.263) 6.654 6.873 ( -1.243 6.496 0.647) 6.645 6.928 ( 0.368 5.558 -0.966) 5.653 7.102 ( -3.117 -5.463 1.232) 6.409 7.120 ( -2.342 -4.377 -1.214) 5.111 10.211 ( -0.676 0.350 0.113) 0.769 10.228 ( -0.588 -0.193 0.202) 0.651 10.264 ( 0.252 0.647 -0.088) 0.700 10.278 ( 0.277 0.316 -0.249) 0.488 10.497 ( -0.844 2.063 -0.291) 2.248 10.529 ( -0.647 1.956 0.422) 2.103 10.583 ( 0.243 -0.753 -0.809) 1.132 10.615 ( 0.375 -0.919 0.965) 1.384 11.004 ( 0.242 0.252 0.661) 0.747 11.013 ( 0.426 -0.172 0.078) 0.466 11.314 ( 0.074 0.489 0.596) 0.774 11.334 ( 0.556 -0.501 0.410) 0.853 11.690 ( -1.559 -0.587 0.175) 1.675 11.701 ( -0.960 -1.020 -2.283) 2.678 11.912 ( 0.964 -0.230 1.173) 1.536 11.942 ( 1.524 -1.954 -1.388) 2.840 ======================= Grid point 120 (61/64) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.225 0.715 -3.166) 3.254 0.548 ( -1.497 -1.633 -0.076) 2.217 0.633 ( -3.136 1.179 -1.074) 3.518 0.651 ( -4.591 0.688 0.828) 4.716 0.743 ( -0.495 1.067 0.357) 1.229 0.752 ( -0.539 2.514 -1.521) 2.987 0.781 ( 0.470 -0.416 0.724) 0.958 0.795 ( -1.659 0.497 0.306) 1.758 0.848 ( -1.713 0.388 1.584) 2.365 0.867 ( -3.283 -2.077 -0.824) 3.972 0.925 ( 0.181 4.673 -0.354) 4.690 0.950 ( -2.292 2.970 0.751) 3.826 1.004 ( 1.069 -0.034 -1.588) 1.915 1.018 ( -0.552 0.985 1.008) 1.514 1.120 ( 1.474 -1.245 0.414) 1.973 1.150 ( -1.298 -2.785 0.083) 3.074 1.183 ( 1.933 1.567 -0.692) 2.583 1.208 ( -0.029 0.798 -0.392) 0.890 1.236 ( 0.948 0.583 0.584) 1.257 1.251 ( -0.819 0.358 -0.325) 0.951 1.316 ( 0.662 -0.043 -0.149) 0.680 1.343 ( -1.154 -1.931 -0.128) 2.253 1.361 ( 0.773 1.852 -0.516) 2.073 1.397 ( -1.367 0.087 0.020) 1.370 1.474 ( 1.106 -0.765 0.623) 1.482 1.486 ( 0.215 0.232 -1.109) 1.153 1.542 ( 2.992 -1.880 2.755) 4.481 1.574 ( 1.006 -3.485 -1.878) 4.085 1.604 ( -0.720 0.792 0.437) 1.156 1.616 ( -1.189 -0.148 -0.885) 1.489 1.771 ( 2.157 0.565 0.472) 2.279 1.787 ( 0.477 0.035 -0.766) 0.903 1.876 ( 3.039 2.147 2.168) 4.307 1.903 ( 1.204 1.025 -1.877) 2.455 1.992 ( 0.798 0.843 -1.313) 1.753 2.038 ( -2.944 -0.680 1.116) 3.222 2.359 ( 4.198 -0.206 -1.598) 4.497 2.411 ( -0.353 -1.726 1.447) 2.280 2.475 ( 1.248 -1.548 1.124) 2.284 2.508 ( -1.179 -2.182 -1.312) 2.806 2.731 ( 1.158 0.883 2.202) 2.640 2.753 ( -0.692 0.371 1.515) 1.707 2.903 ( -0.258 1.112 1.390) 1.799 2.916 ( -0.989 0.636 -1.902) 2.236 3.004 ( 0.444 -1.462 -0.370) 1.572 3.039 ( -2.858 -1.530 -0.887) 3.361 3.114 ( 2.115 1.424 4.390) 5.077 3.182 ( -3.762 0.171 -5.243) 6.456 3.331 ( 1.808 -2.661 1.923) 3.748 3.346 ( 0.682 -1.854 -0.135) 1.980 3.450 ( 4.165 1.957 2.405) 5.193 3.526 ( -2.363 -1.060 -2.532) 3.623 3.802 ( 3.049 3.027 -0.298) 4.307 3.848 ( -0.968 3.502 1.378) 3.886 3.897 ( -0.575 -1.731 -0.531) 1.900 3.905 ( -0.869 -1.190 -1.041) 1.804 4.277 ( 3.931 1.087 -1.033) 4.207 4.371 ( -5.185 -0.062 0.906) 5.264 4.392 ( 2.576 -4.959 -2.347) 6.060 4.447 ( -3.184 -3.990 2.507) 5.688 4.793 ( 2.012 -0.417 0.665) 2.160 4.820 ( -0.391 -1.910 1.123) 2.250 5.116 ( -2.109 0.333 -0.809) 2.283 5.122 ( -2.450 -0.449 -1.437) 2.876 5.262 ( 2.798 2.505 -0.403) 3.777 5.320 ( 2.798 -0.888 -0.350) 2.957 5.357 ( -6.326 2.857 -0.292) 6.947 5.391 ( -4.074 0.959 0.916) 4.285 5.814 ( 1.319 -0.212 -1.922) 2.340 5.836 ( -0.959 -1.367 1.522) 2.259 6.029 ( 4.418 1.823 0.672) 4.827 6.103 ( -2.861 -1.439 0.289) 3.216 6.172 ( 2.549 0.260 2.600) 3.650 6.205 ( -0.086 1.730 -1.939) 2.600 6.290 ( 7.487 -3.605 0.009) 8.310 6.386 ( -1.540 -4.400 -1.261) 4.830 6.880 ( 1.829 4.575 0.572) 4.960 6.919 ( -1.345 4.028 -0.783) 4.318 7.048 ( -1.602 -3.963 0.337) 4.288 7.063 ( -2.672 -3.296 -0.356) 4.258 10.204 ( 0.038 -0.186 -0.043) 0.195 10.212 ( -0.777 -0.526 0.209) 0.961 10.272 ( 0.460 0.846 -0.017) 0.963 10.279 ( -0.156 0.640 -0.163) 0.679 10.490 ( 0.241 1.554 -0.413) 1.626 10.505 ( -1.274 1.241 0.467) 1.839 10.599 ( 1.050 -0.096 -0.709) 1.271 10.614 ( -0.513 -0.446 0.828) 1.072 11.012 ( 0.398 0.263 0.684) 0.834 11.017 ( -0.006 0.026 -0.279) 0.280 11.322 ( 0.667 0.084 0.101) 0.680 11.335 ( -0.491 -0.564 0.549) 0.928 11.671 ( -0.208 -0.218 0.292) 0.419 11.680 ( -0.821 -0.624 -1.543) 1.856 11.939 ( 1.241 -0.686 1.577) 2.120 11.955 ( -0.051 -1.603 -1.719) 2.351 ======================= Grid point 123 (62/64) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.000 0.000 0.000) 0.000 0.638 ( -0.000 0.000 0.000) 0.000 0.701 ( -0.000 0.000 0.000) 0.000 0.701 ( 0.000 0.000 0.000) 0.000 0.839 ( -0.000 0.000 0.000) 0.000 0.839 ( 0.000 0.000 0.000) 0.000 0.860 ( 0.000 -0.000 0.000) 0.000 0.860 ( 0.000 0.000 0.000) 0.000 0.947 ( -0.000 0.000 0.000) 0.000 0.947 ( -0.000 0.000 0.000) 0.000 1.045 ( 0.000 -0.000 0.000) 0.000 1.045 ( 0.000 0.000 0.000) 0.000 1.053 ( -0.000 -0.000 -0.000) 0.000 1.053 ( -0.000 0.000 -0.000) 0.000 1.116 ( -0.000 0.000 0.000) 0.000 1.116 ( 0.000 0.000 0.000) 0.000 1.126 ( -0.000 -0.000 0.000) 0.000 1.126 ( 0.000 0.000 0.000) 0.000 1.220 ( 0.000 0.000 0.000) 0.000 1.220 ( 0.000 0.000 0.000) 0.000 1.313 ( -0.000 0.000 0.000) 0.000 1.313 ( 0.000 0.000 0.000) 0.000 1.372 ( -0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.517 ( -0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.596 ( -0.000 0.000 -0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 2.052 ( -0.000 0.000 0.000) 0.000 2.052 ( -0.000 0.000 0.000) 0.000 2.249 ( -0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.898 ( -0.000 0.000 0.000) 0.000 2.898 ( -0.000 0.000 0.000) 0.000 3.129 ( -1.330 -3.520 -2.832) 4.710 3.129 ( -1.330 3.520 -2.832) 4.710 3.129 ( 1.330 -3.520 2.832) 4.710 3.129 ( 1.330 3.520 2.832) 4.710 3.339 ( -0.000 0.000 0.000) 0.000 3.339 ( -0.000 0.000 0.000) 0.000 3.407 ( 0.000 -0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.871 ( -0.000 -0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.895 ( -0.000 -0.000 0.000) 0.000 3.895 ( -0.000 0.000 -0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.492 ( -0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.787 ( -0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 5.175 ( -0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.337 ( -0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.522 ( -0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.799 ( -0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 5.970 ( -0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.213 ( -0.000 0.000 -0.000) 0.000 6.213 ( -0.000 0.000 0.000) 0.000 7.019 ( -0.000 -0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.039 ( -0.000 -0.000 0.000) 0.000 7.039 ( -0.000 0.000 0.000) 0.000 10.232 ( -0.000 0.000 0.000) 0.000 10.232 ( 0.000 0.000 0.000) 0.000 10.268 ( 0.000 0.000 0.000) 0.000 10.268 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 -0.000 0.000) 0.000 10.571 ( -0.000 0.000 -0.000) 0.000 10.571 ( -0.000 0.000 0.000) 0.000 11.004 ( -0.000 0.000 0.000) 0.000 11.004 ( 0.000 0.000 0.000) 0.000 11.322 ( 0.000 0.000 0.000) 0.000 11.322 ( -0.000 0.000 0.000) 0.000 11.701 ( 0.000 0.000 0.000) 0.000 11.701 ( 0.000 0.000 0.000) 0.000 11.902 ( -0.000 0.000 0.000) 0.000 11.902 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 127 (63/64) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -3.986 -0.645 -0.213) 4.043 0.579 ( -3.986 0.645 -0.213) 4.043 0.720 ( -0.085 -1.078 -0.174) 1.096 0.720 ( -0.085 1.078 -0.174) 1.096 0.789 ( -3.300 -2.763 -0.569) 4.342 0.789 ( -3.300 2.763 -0.569) 4.342 0.840 ( -4.861 -2.321 -2.788) 6.066 0.840 ( -4.861 2.321 -2.788) 6.066 0.900 ( -0.451 -2.781 0.544) 2.869 0.900 ( -0.451 2.781 0.544) 2.869 0.995 ( -3.183 -1.031 0.152) 3.350 0.995 ( -3.183 1.031 0.152) 3.350 1.048 ( -0.569 -1.743 0.560) 1.917 1.048 ( -0.569 1.743 0.560) 1.917 1.098 ( -0.016 -1.969 0.145) 1.974 1.098 ( -0.016 1.969 0.145) 1.974 1.190 ( 1.175 -1.256 -1.440) 2.243 1.190 ( 1.175 1.256 -1.440) 2.243 1.244 ( 2.530 -0.717 1.948) 3.272 1.244 ( 2.530 0.717 1.948) 3.272 1.302 ( -0.231 -0.353 -0.535) 0.681 1.302 ( -0.231 0.353 -0.535) 0.681 1.395 ( 0.425 -2.309 0.615) 2.427 1.395 ( 0.425 2.309 0.615) 2.427 1.464 ( 0.974 -0.995 0.341) 1.433 1.464 ( 0.974 0.995 0.341) 1.433 1.495 ( -0.066 -2.189 -1.871) 2.881 1.495 ( -0.066 2.189 -1.871) 2.881 1.625 ( 0.861 -1.792 0.041) 1.989 1.625 ( 0.861 1.792 0.041) 1.989 1.733 ( 2.627 -1.523 -0.545) 3.085 1.733 ( 2.627 1.523 -0.545) 3.085 1.862 ( 1.236 -1.052 1.145) 1.986 1.862 ( 1.236 1.052 1.145) 1.986 2.045 ( -0.695 -2.233 -1.423) 2.737 2.045 ( -0.695 2.233 -1.423) 2.737 2.295 ( 4.087 -2.353 0.934) 4.808 2.295 ( 4.087 2.353 0.934) 4.808 2.477 ( 0.025 -1.227 -0.588) 1.361 2.477 ( 0.025 1.227 -0.588) 1.361 2.739 ( 0.825 -1.277 2.256) 2.720 2.739 ( 0.825 1.277 2.256) 2.720 2.899 ( 0.243 -0.531 0.371) 0.692 2.899 ( 0.243 0.531 0.371) 0.692 3.063 ( -3.525 -2.509 0.059) 4.327 3.063 ( -3.525 2.509 0.059) 4.327 3.166 ( 0.544 -4.646 0.242) 4.684 3.166 ( 0.544 4.646 0.242) 4.684 3.307 ( -0.752 -1.203 -0.469) 1.494 3.307 ( -0.752 1.203 -0.469) 1.494 3.463 ( 2.992 -4.096 0.051) 5.073 3.463 ( 2.992 4.096 0.051) 5.073 3.847 ( -0.995 -4.378 -1.267) 4.665 3.847 ( -0.995 4.378 -1.267) 4.665 3.906 ( 0.118 -1.930 0.735) 2.069 3.906 ( 0.118 1.930 0.735) 2.069 4.255 ( 2.445 -2.680 -1.450) 3.907 4.255 ( 2.445 2.680 -1.450) 3.907 4.462 ( -3.056 -1.216 1.344) 3.553 4.462 ( -3.056 1.216 1.344) 3.553 4.786 ( 0.003 -1.249 1.050) 1.632 4.786 ( 0.003 1.249 1.050) 1.632 5.169 ( -1.285 -0.665 -0.643) 1.583 5.169 ( -1.285 0.665 -0.643) 1.583 5.286 ( -2.580 -0.758 -0.888) 2.831 5.286 ( -2.580 0.758 -0.888) 2.831 5.495 ( -3.742 -1.116 0.095) 3.906 5.495 ( -3.742 1.116 0.095) 3.906 5.808 ( 0.785 -1.022 -0.790) 1.512 5.808 ( 0.785 1.022 -0.790) 1.512 6.011 ( 3.623 -4.234 1.772) 5.847 6.011 ( 3.623 4.234 1.772) 5.847 6.125 ( 1.449 -1.398 0.709) 2.134 6.125 ( 1.449 1.398 0.709) 2.134 6.268 ( 3.714 -4.634 -1.742) 6.189 6.268 ( 3.714 4.634 -1.742) 6.189 6.991 ( -2.090 -5.832 0.766) 6.242 6.991 ( -2.090 5.832 0.766) 6.242 7.031 ( -1.224 -4.809 -0.839) 5.033 7.031 ( -1.224 4.809 -0.839) 5.033 10.219 ( -0.969 -0.563 0.175) 1.135 10.219 ( -0.969 0.563 0.175) 1.135 10.275 ( 0.540 -0.498 -0.228) 0.769 10.275 ( 0.540 0.498 -0.228) 0.769 10.534 ( -1.423 -1.512 -0.236) 2.089 10.534 ( -1.423 1.512 -0.236) 2.089 10.590 ( 0.939 -1.499 0.402) 1.814 10.590 ( 0.939 1.499 0.402) 1.814 11.009 ( 0.399 -0.256 0.341) 0.584 11.009 ( 0.399 0.256 0.341) 0.584 11.324 ( 0.156 -0.565 0.330) 0.673 11.324 ( 0.156 0.565 0.330) 0.673 11.687 ( -0.986 -0.352 -0.931) 1.401 11.687 ( -0.986 0.352 -0.931) 1.401 11.916 ( 1.164 -0.758 0.097) 1.393 11.916 ( 1.164 0.758 0.097) 1.393 ======================= Grid point 129 (64/64) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -0.781 -0.307 -0.735) 1.115 0.530 ( -0.781 0.307 -0.735) 1.115 0.655 ( -3.267 -0.775 -1.255) 3.585 0.655 ( -3.267 0.775 -1.255) 3.585 0.768 ( 0.432 -1.162 0.009) 1.240 0.768 ( 0.432 1.162 0.009) 1.240 0.790 ( -0.852 -1.321 -1.256) 2.013 0.790 ( -0.852 1.321 -1.256) 2.013 0.846 ( -3.978 -0.240 1.297) 4.191 0.846 ( -3.978 0.240 1.297) 4.191 0.962 ( -0.238 -0.301 0.165) 0.418 0.962 ( -0.238 0.301 0.165) 0.418 1.054 ( 0.889 -2.681 -0.291) 2.840 1.054 ( 0.889 2.681 -0.291) 2.840 1.088 ( -0.983 -2.467 0.514) 2.705 1.088 ( -0.983 2.467 0.514) 2.705 1.207 ( 0.979 -0.789 -1.158) 1.709 1.207 ( 0.979 0.789 -1.158) 1.709 1.271 ( -0.150 -0.730 0.999) 1.246 1.271 ( -0.150 0.730 0.999) 1.246 1.301 ( 0.175 -0.905 -0.059) 0.924 1.301 ( 0.175 0.905 -0.059) 0.924 1.388 ( -0.288 -1.014 0.035) 1.055 1.388 ( -0.288 1.014 0.035) 1.055 1.478 ( 0.201 -1.144 0.288) 1.196 1.478 ( 0.201 1.144 0.288) 1.196 1.527 ( 2.201 -1.099 -0.805) 2.589 1.527 ( 2.201 1.099 -0.805) 2.589 1.616 ( -1.077 -0.376 -0.091) 1.144 1.616 ( -1.077 0.376 -0.091) 1.144 1.780 ( 1.276 -0.543 -0.284) 1.415 1.780 ( 1.276 0.543 -0.284) 1.415 1.904 ( 2.549 -0.789 0.718) 2.763 1.904 ( 2.549 0.789 0.718) 2.763 2.018 ( -1.680 -1.471 -0.711) 2.344 2.018 ( -1.680 1.471 -0.711) 2.344 2.375 ( 3.051 -1.786 0.293) 3.547 2.375 ( 3.051 1.786 0.293) 3.547 2.471 ( -0.536 -1.258 -0.337) 1.409 2.471 ( -0.536 1.258 -0.337) 1.409 2.750 ( 0.031 -0.867 1.329) 1.588 2.750 ( 0.031 0.867 1.329) 1.588 2.911 ( 0.604 -0.434 0.496) 0.894 2.911 ( 0.604 0.434 0.496) 0.894 3.010 ( -1.590 -1.362 0.078) 2.095 3.010 ( -1.590 1.362 0.078) 2.095 3.162 ( -0.346 -2.505 -0.485) 2.575 3.162 ( -0.346 2.505 -0.485) 2.575 3.314 ( 0.703 -0.949 0.236) 1.205 3.314 ( 0.703 0.949 0.236) 1.205 3.493 ( 0.334 -2.354 -0.163) 2.383 3.493 ( 0.334 2.354 -0.163) 2.383 3.851 ( 1.318 -2.470 -0.327) 2.819 3.851 ( 1.318 2.470 -0.327) 2.819 3.894 ( -1.297 -1.189 0.085) 1.761 3.894 ( -1.297 1.189 0.085) 1.761 4.313 ( 3.623 -2.983 -2.301) 5.227 4.313 ( 3.623 2.983 -2.301) 5.227 4.389 ( -4.251 -1.984 2.106) 5.142 4.389 ( -4.251 1.984 2.106) 5.142 4.793 ( 0.399 -0.705 1.066) 1.339 4.793 ( 0.399 0.705 1.066) 1.339 5.120 ( -2.235 -0.112 -1.208) 2.543 5.120 ( -2.235 0.112 -1.208) 2.543 5.298 ( 3.303 -1.505 0.080) 3.631 5.298 ( 3.303 1.505 0.080) 3.631 5.393 ( -5.803 -0.873 -0.054) 5.869 5.393 ( -5.803 0.873 -0.054) 5.869 5.819 ( 0.297 -0.636 -0.291) 0.760 5.819 ( 0.297 0.636 -0.291) 0.760 6.065 ( 1.245 -2.110 0.510) 2.502 6.065 ( 1.245 2.110 0.510) 2.502 6.197 ( 4.390 -2.222 0.964) 5.014 6.197 ( 4.390 2.222 0.964) 5.014 6.303 ( -0.224 -4.079 -1.209) 4.260 6.303 ( -0.224 4.079 -1.209) 4.260 6.966 ( -0.164 -4.572 0.646) 4.620 6.966 ( -0.164 4.572 0.646) 4.620 6.995 ( -1.927 -3.910 -0.710) 4.416 6.995 ( -1.927 3.910 -0.710) 4.416 10.204 ( -0.464 -0.253 0.071) 0.533 10.204 ( -0.464 0.253 0.071) 0.533 10.283 ( 0.196 -0.206 -0.102) 0.302 10.283 ( 0.196 0.206 -0.102) 0.302 10.513 ( -0.604 -0.574 -0.050) 0.835 10.513 ( -0.604 0.574 -0.050) 0.835 10.603 ( 0.335 -0.567 0.152) 0.676 10.603 ( 0.335 0.567 0.152) 0.676 11.016 ( 0.235 -0.148 0.193) 0.338 11.016 ( 0.235 0.148 0.193) 0.338 11.326 ( 0.035 -0.356 0.210) 0.415 11.326 ( 0.035 0.356 0.210) 0.415 11.671 ( -0.423 -0.250 -0.527) 0.721 11.671 ( -0.423 0.250 -0.527) 0.721 11.935 ( 0.578 -0.426 0.025) 0.718 11.935 ( 0.578 0.426 0.025) 0.718 =================== 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 6.901 7.360 10.300 0.000 1.171 0.000 3/17280 20.0 2.384 2.259 3.013 0.000 0.382 0.000 3/17280 30.0 1.419 1.316 1.729 0.000 0.223 0.000 3/17280 40.0 1.008 0.933 1.218 0.000 0.158 0.000 3/17280 50.0 0.783 0.726 0.944 0.000 0.122 0.000 3/17280 60.0 0.642 0.598 0.774 0.000 0.099 0.000 3/17280 70.0 0.545 0.510 0.657 0.000 0.083 0.000 3/17280 80.0 0.475 0.446 0.573 0.000 0.072 0.000 3/17280 90.0 0.421 0.397 0.508 0.000 0.063 0.000 3/17280 100.0 0.379 0.358 0.458 0.000 0.057 0.000 3/17280 110.0 0.344 0.327 0.417 0.000 0.051 0.000 3/17280 120.0 0.316 0.300 0.383 0.000 0.047 0.000 3/17280 130.0 0.292 0.278 0.354 0.000 0.043 0.000 3/17280 140.0 0.271 0.259 0.330 0.000 0.040 0.000 3/17280 150.0 0.253 0.243 0.309 0.000 0.037 0.000 3/17280 160.0 0.238 0.229 0.291 0.000 0.034 0.000 3/17280 170.0 0.224 0.216 0.274 0.000 0.032 0.000 3/17280 180.0 0.212 0.204 0.260 0.000 0.031 0.000 3/17280 190.0 0.201 0.194 0.247 0.000 0.029 0.000 3/17280 200.0 0.191 0.185 0.235 0.000 0.027 0.000 3/17280 210.0 0.182 0.176 0.225 0.000 0.026 0.000 3/17280 220.0 0.174 0.169 0.215 0.000 0.025 0.000 3/17280 230.0 0.167 0.162 0.206 0.000 0.024 0.000 3/17280 240.0 0.160 0.155 0.198 0.000 0.023 0.000 3/17280 250.0 0.154 0.149 0.190 0.000 0.022 0.000 3/17280 260.0 0.148 0.144 0.184 0.000 0.021 0.000 3/17280 270.0 0.143 0.139 0.177 0.000 0.020 0.000 3/17280 280.0 0.138 0.134 0.171 0.000 0.020 0.000 3/17280 290.0 0.133 0.129 0.165 0.000 0.019 0.000 3/17280 300.0 0.129 0.125 0.160 0.000 0.018 0.000 3/17280 310.0 0.125 0.121 0.155 0.000 0.018 0.000 3/17280 320.0 0.121 0.118 0.151 0.000 0.017 0.000 3/17280 330.0 0.117 0.114 0.146 0.000 0.017 0.000 3/17280 340.0 0.114 0.111 0.142 0.000 0.016 0.000 3/17280 350.0 0.111 0.108 0.138 0.000 0.016 0.000 3/17280 360.0 0.108 0.105 0.134 0.000 0.015 0.000 3/17280 370.0 0.105 0.102 0.131 0.000 0.015 0.000 3/17280 380.0 0.102 0.100 0.128 0.000 0.014 0.000 3/17280 390.0 0.100 0.097 0.125 0.000 0.014 0.000 3/17280 400.0 0.097 0.095 0.122 0.000 0.014 0.000 3/17280 410.0 0.095 0.092 0.119 0.000 0.013 0.000 3/17280 420.0 0.093 0.090 0.116 0.000 0.013 0.000 3/17280 430.0 0.090 0.088 0.113 0.000 0.013 0.000 3/17280 440.0 0.088 0.086 0.111 0.000 0.012 0.000 3/17280 450.0 0.086 0.084 0.108 0.000 0.012 0.000 3/17280 460.0 0.085 0.083 0.106 0.000 0.012 0.000 3/17280 470.0 0.083 0.081 0.104 0.000 0.012 0.000 3/17280 480.0 0.081 0.079 0.102 0.000 0.011 0.000 3/17280 490.0 0.079 0.078 0.100 0.000 0.011 0.000 3/17280 500.0 0.078 0.076 0.098 0.000 0.011 0.000 3/17280 510.0 0.076 0.075 0.096 0.000 0.011 0.000 3/17280 520.0 0.075 0.073 0.094 0.000 0.011 0.000 3/17280 530.0 0.074 0.072 0.093 0.000 0.010 0.000 3/17280 540.0 0.072 0.071 0.091 0.000 0.010 0.000 3/17280 550.0 0.071 0.069 0.089 0.000 0.010 0.000 3/17280 560.0 0.070 0.068 0.088 0.000 0.010 0.000 3/17280 570.0 0.068 0.067 0.086 0.000 0.010 0.000 3/17280 580.0 0.067 0.066 0.085 0.000 0.009 0.000 3/17280 590.0 0.066 0.065 0.083 0.000 0.009 0.000 3/17280 600.0 0.065 0.064 0.082 0.000 0.009 0.000 3/17280 610.0 0.064 0.063 0.081 0.000 0.009 0.000 3/17280 620.0 0.063 0.062 0.079 0.000 0.009 0.000 3/17280 630.0 0.062 0.061 0.078 0.000 0.009 0.000 3/17280 640.0 0.061 0.060 0.077 0.000 0.009 0.000 3/17280 650.0 0.060 0.059 0.076 0.000 0.008 0.000 3/17280 660.0 0.059 0.058 0.075 0.000 0.008 0.000 3/17280 670.0 0.058 0.057 0.074 0.000 0.008 0.000 3/17280 680.0 0.058 0.056 0.073 0.000 0.008 0.000 3/17280 690.0 0.057 0.056 0.072 0.000 0.008 0.000 3/17280 700.0 0.056 0.055 0.071 0.000 0.008 0.000 3/17280 710.0 0.055 0.054 0.070 0.000 0.008 0.000 3/17280 720.0 0.054 0.053 0.069 0.000 0.008 0.000 3/17280 730.0 0.054 0.053 0.068 0.000 0.008 0.000 3/17280 740.0 0.053 0.052 0.067 0.000 0.007 0.000 3/17280 750.0 0.052 0.051 0.066 0.000 0.007 0.000 3/17280 760.0 0.052 0.050 0.065 0.000 0.007 0.000 3/17280 770.0 0.051 0.050 0.064 0.000 0.007 0.000 3/17280 780.0 0.050 0.049 0.063 0.000 0.007 0.000 3/17280 790.0 0.050 0.049 0.063 0.000 0.007 0.000 3/17280 800.0 0.049 0.048 0.062 0.000 0.007 0.000 3/17280 810.0 0.048 0.047 0.061 0.000 0.007 0.000 3/17280 820.0 0.048 0.047 0.060 0.000 0.007 0.000 3/17280 830.0 0.047 0.046 0.060 0.000 0.007 0.000 3/17280 840.0 0.047 0.046 0.059 0.000 0.007 0.000 3/17280 850.0 0.046 0.045 0.058 0.000 0.006 0.000 3/17280 860.0 0.046 0.045 0.058 0.000 0.006 0.000 3/17280 870.0 0.045 0.044 0.057 0.000 0.006 0.000 3/17280 880.0 0.045 0.044 0.056 0.000 0.006 0.000 3/17280 890.0 0.044 0.043 0.056 0.000 0.006 0.000 3/17280 900.0 0.044 0.043 0.055 0.000 0.006 0.000 3/17280 910.0 0.043 0.042 0.055 0.000 0.006 0.000 3/17280 920.0 0.043 0.042 0.054 0.000 0.006 0.000 3/17280 930.0 0.042 0.041 0.053 0.000 0.006 0.000 3/17280 940.0 0.042 0.041 0.053 0.000 0.006 0.000 3/17280 950.0 0.041 0.040 0.052 0.000 0.006 0.000 3/17280 960.0 0.041 0.040 0.052 0.000 0.006 0.000 3/17280 970.0 0.040 0.040 0.051 0.000 0.006 0.000 3/17280 980.0 0.040 0.039 0.051 0.000 0.006 0.000 3/17280 990.0 0.040 0.039 0.050 0.000 0.006 0.000 3/17280 1000.0 0.039 0.038 0.050 0.000 0.006 0.000 3/17280 Thermal conductivity related properties were written into "kappa-m566.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:34:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|