----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:59:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 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 4.568209840016210 0.000000000000000 0.000000000000000 b 0.000000000000000 13.542832669999999 0.000000000000000 c -1.376778771793232 0.000000000000000 6.797215337849862 Atomic positions (fractional): *1 P 0.50755340225715 0.22009717830110 0.03228861983310 30.974 2 P 0.49244659774285 0.72009717830110 0.46771138016690 30.974 3 P 0.49244659774285 0.77990282169890 0.96771138016691 30.974 4 P 0.50755340225715 0.27990282169890 0.53228861983309 30.974 *5 P 0.06745924001046 0.22506291042903 0.36491515145395 30.974 6 P 0.93254075998954 0.72506291042903 0.13508484854605 30.974 *7 P 0.80771756247823 0.94550523191697 0.24985088108017 30.974 8 P 0.19228243752177 0.44550523191697 0.25014911891983 30.974 9 P 0.19228243752177 0.05449476808304 0.75014911891983 30.974 10 P 0.80771756247823 0.55449476808303 0.74985088108017 30.974 *11 P 0.65681214867216 0.10671037591894 0.85308476034838 30.974 12 P 0.34318785132784 0.60671037591894 0.64691523965162 30.974 13 P 0.34318785132784 0.89328962408106 0.14691523965162 30.974 14 P 0.65681214867216 0.39328962408106 0.35308476034838 30.974 *15 P 0.73834794746997 0.88791637007369 0.80584591067832 30.974 16 P 0.26165205253003 0.38791637007369 0.69415408932168 30.974 17 P 0.26165205253003 0.11208362992630 0.19415408932168 30.974 18 P 0.73834794746997 0.61208362992631 0.30584591067832 30.974 *19 P 0.63323571719555 0.44362247893105 0.93048540944405 30.974 20 P 0.36676428280445 0.94362247893105 0.56951459055595 30.974 21 P 0.36676428280445 0.55637752106895 0.06951459055595 30.974 22 P 0.63323571719555 0.05637752106896 0.43048540944405 30.974 23 P 0.06745924001046 0.27493708957097 0.86491515145395 30.974 24 P 0.93254075998954 0.77493708957097 0.63508484854605 30.974 *25 Fe 0.85839973911251 0.32958837852415 0.11843365528344 55.845 26 Fe 0.14160026088749 0.82958837852415 0.38156634471656 55.845 27 Fe 0.14160026088749 0.67041162147585 0.88156634471656 55.845 28 Fe 0.85839973911251 0.17041162147585 0.61843365528344 55.845 *29 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 30 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.568209840016210 0.000000000000000 0.000000000000000 b 0.000000000000000 13.542832669999999 0.000000000000000 c -1.376778771793232 0.000000000000000 6.797215337849862 Atomic positions (fractional): *1 P 0.50755340225715 0.22009717830110 0.03228861983310 30.974 > 1 2 P 0.49244659774285 0.72009717830110 0.46771138016690 30.974 > 2 3 P 0.49244659774285 0.77990282169890 0.96771138016691 30.974 > 3 4 P 0.50755340225715 0.27990282169890 0.53228861983309 30.974 > 4 *5 P 0.06745924001046 0.22506291042903 0.36491515145395 30.974 > 5 6 P 0.93254075998954 0.72506291042903 0.13508484854605 30.974 > 6 *7 P 0.80771756247823 0.94550523191697 0.24985088108017 30.974 > 7 8 P 0.19228243752177 0.44550523191697 0.25014911891983 30.974 > 8 9 P 0.19228243752177 0.05449476808304 0.75014911891983 30.974 > 9 10 P 0.80771756247823 0.55449476808303 0.74985088108017 30.974 > 10 *11 P 0.65681214867216 0.10671037591894 0.85308476034838 30.974 > 11 12 P 0.34318785132784 0.60671037591894 0.64691523965162 30.974 > 12 13 P 0.34318785132784 0.89328962408106 0.14691523965162 30.974 > 13 14 P 0.65681214867216 0.39328962408106 0.35308476034838 30.974 > 14 *15 P 0.73834794746997 0.88791637007369 0.80584591067832 30.974 > 15 16 P 0.26165205253003 0.38791637007369 0.69415408932168 30.974 > 16 17 P 0.26165205253003 0.11208362992630 0.19415408932168 30.974 > 17 18 P 0.73834794746997 0.61208362992631 0.30584591067832 30.974 > 18 *19 P 0.63323571719555 0.44362247893105 0.93048540944405 30.974 > 19 20 P 0.36676428280445 0.94362247893105 0.56951459055595 30.974 > 20 21 P 0.36676428280445 0.55637752106895 0.06951459055595 30.974 > 21 22 P 0.63323571719555 0.05637752106896 0.43048540944405 30.974 > 22 23 P 0.06745924001046 0.27493708957097 0.86491515145395 30.974 > 23 24 P 0.93254075998954 0.77493708957097 0.63508484854605 30.974 > 24 *25 Fe 0.85839973911251 0.32958837852415 0.11843365528344 55.845 > 25 26 Fe 0.14160026088749 0.82958837852415 0.38156634471656 55.845 > 26 27 Fe 0.14160026088749 0.67041162147585 0.88156634471656 55.845 > 27 28 Fe 0.85839973911251 0.17041162147585 0.61843365528344 55.845 > 28 *29 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 29 30 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.136419680032420 0.000000000000000 0.000000000000000 b 0.000000000000000 13.542832669999999 0.000000000000000 c -2.753557543586464 0.000000000000000 13.594430675699725 Atomic positions (fractional): *1 P 0.25377670112857 0.22009717830110 0.01614430991655 30.974 > 1 2 P 0.75377670112857 0.22009717830110 0.01614430991655 30.974 > 1 3 P 0.25377670112857 0.22009717830110 0.51614430991655 30.974 > 1 4 P 0.75377670112857 0.22009717830110 0.51614430991655 30.974 > 1 5 P 0.24622329887142 0.72009717830110 0.23385569008345 30.974 > 2 6 P 0.74622329887143 0.72009717830110 0.23385569008345 30.974 > 2 7 P 0.24622329887142 0.72009717830110 0.73385569008345 30.974 > 2 8 P 0.74622329887143 0.72009717830110 0.73385569008345 30.974 > 2 9 P 0.24622329887142 0.77990282169890 0.48385569008345 30.974 > 3 10 P 0.74622329887143 0.77990282169890 0.48385569008345 30.974 > 3 11 P 0.24622329887142 0.77990282169890 0.98385569008345 30.974 > 3 12 P 0.74622329887143 0.77990282169890 0.98385569008345 30.974 > 3 13 P 0.25377670112857 0.27990282169890 0.26614430991655 30.974 > 4 14 P 0.75377670112857 0.27990282169890 0.26614430991655 30.974 > 4 15 P 0.25377670112857 0.27990282169890 0.76614430991655 30.974 > 4 16 P 0.75377670112857 0.27990282169890 0.76614430991655 30.974 > 4 *17 P 0.03372962000523 0.22506291042903 0.18245757572698 30.974 > 5 18 P 0.53372962000523 0.22506291042903 0.18245757572698 30.974 > 5 19 P 0.03372962000523 0.22506291042903 0.68245757572698 30.974 > 5 20 P 0.53372962000523 0.22506291042903 0.68245757572698 30.974 > 5 21 P 0.46627037999477 0.72506291042903 0.06754242427302 30.974 > 6 22 P 0.96627037999477 0.72506291042903 0.06754242427302 30.974 > 6 23 P 0.46627037999477 0.72506291042903 0.56754242427302 30.974 > 6 24 P 0.96627037999477 0.72506291042903 0.56754242427302 30.974 > 6 *25 P 0.40385878123912 0.94550523191697 0.12492544054009 30.974 > 7 26 P 0.90385878123912 0.94550523191697 0.12492544054009 30.974 > 7 27 P 0.40385878123912 0.94550523191697 0.62492544054009 30.974 > 7 28 P 0.90385878123912 0.94550523191697 0.62492544054009 30.974 > 7 29 P 0.09614121876088 0.44550523191697 0.12507455945991 30.974 > 8 30 P 0.59614121876088 0.44550523191697 0.12507455945991 30.974 > 8 31 P 0.09614121876088 0.44550523191697 0.62507455945991 30.974 > 8 32 P 0.59614121876088 0.44550523191697 0.62507455945991 30.974 > 8 33 P 0.09614121876088 0.05449476808304 0.37507455945991 30.974 > 9 34 P 0.59614121876088 0.05449476808304 0.37507455945991 30.974 > 9 35 P 0.09614121876088 0.05449476808304 0.87507455945991 30.974 > 9 36 P 0.59614121876088 0.05449476808304 0.87507455945991 30.974 > 9 37 P 0.40385878123912 0.55449476808303 0.37492544054009 30.974 > 10 38 P 0.90385878123912 0.55449476808303 0.37492544054009 30.974 > 10 39 P 0.40385878123912 0.55449476808303 0.87492544054009 30.974 > 10 40 P 0.90385878123912 0.55449476808303 0.87492544054009 30.974 > 10 *41 P 0.32840607433608 0.10671037591894 0.42654238017419 30.974 > 11 42 P 0.82840607433608 0.10671037591894 0.42654238017419 30.974 > 11 43 P 0.32840607433608 0.10671037591894 0.92654238017419 30.974 > 11 44 P 0.82840607433608 0.10671037591894 0.92654238017419 30.974 > 11 45 P 0.17159392566392 0.60671037591894 0.32345761982581 30.974 > 12 46 P 0.67159392566392 0.60671037591894 0.32345761982581 30.974 > 12 47 P 0.17159392566392 0.60671037591894 0.82345761982581 30.974 > 12 48 P 0.67159392566392 0.60671037591894 0.82345761982581 30.974 > 12 49 P 0.17159392566392 0.89328962408106 0.07345761982581 30.974 > 13 50 P 0.67159392566392 0.89328962408106 0.07345761982581 30.974 > 13 51 P 0.17159392566392 0.89328962408106 0.57345761982581 30.974 > 13 52 P 0.67159392566392 0.89328962408106 0.57345761982581 30.974 > 13 53 P 0.32840607433608 0.39328962408106 0.17654238017419 30.974 > 14 54 P 0.82840607433608 0.39328962408106 0.17654238017419 30.974 > 14 55 P 0.32840607433608 0.39328962408106 0.67654238017419 30.974 > 14 56 P 0.82840607433608 0.39328962408106 0.67654238017419 30.974 > 14 *57 P 0.36917397373498 0.88791637007369 0.40292295533916 30.974 > 15 58 P 0.86917397373498 0.88791637007369 0.40292295533916 30.974 > 15 59 P 0.36917397373498 0.88791637007369 0.90292295533916 30.974 > 15 60 P 0.86917397373498 0.88791637007369 0.90292295533916 30.974 > 15 61 P 0.13082602626502 0.38791637007369 0.34707704466084 30.974 > 16 62 P 0.63082602626502 0.38791637007369 0.34707704466084 30.974 > 16 63 P 0.13082602626502 0.38791637007369 0.84707704466084 30.974 > 16 64 P 0.63082602626502 0.38791637007369 0.84707704466084 30.974 > 16 65 P 0.13082602626502 0.11208362992630 0.09707704466084 30.974 > 17 66 P 0.63082602626502 0.11208362992630 0.09707704466084 30.974 > 17 67 P 0.13082602626502 0.11208362992630 0.59707704466084 30.974 > 17 68 P 0.63082602626502 0.11208362992630 0.59707704466084 30.974 > 17 69 P 0.36917397373498 0.61208362992631 0.15292295533916 30.974 > 18 70 P 0.86917397373498 0.61208362992631 0.15292295533916 30.974 > 18 71 P 0.36917397373498 0.61208362992631 0.65292295533916 30.974 > 18 72 P 0.86917397373498 0.61208362992631 0.65292295533916 30.974 > 18 *73 P 0.31661785859778 0.44362247893105 0.46524270472202 30.974 > 19 74 P 0.81661785859778 0.44362247893105 0.46524270472202 30.974 > 19 75 P 0.31661785859778 0.44362247893105 0.96524270472202 30.974 > 19 76 P 0.81661785859778 0.44362247893105 0.96524270472202 30.974 > 19 77 P 0.18338214140222 0.94362247893105 0.28475729527798 30.974 > 20 78 P 0.68338214140222 0.94362247893105 0.28475729527798 30.974 > 20 79 P 0.18338214140222 0.94362247893105 0.78475729527798 30.974 > 20 80 P 0.68338214140222 0.94362247893105 0.78475729527798 30.974 > 20 81 P 0.18338214140222 0.55637752106895 0.03475729527797 30.974 > 21 82 P 0.68338214140222 0.55637752106895 0.03475729527797 30.974 > 21 83 P 0.18338214140222 0.55637752106895 0.53475729527797 30.974 > 21 84 P 0.68338214140222 0.55637752106895 0.53475729527797 30.974 > 21 85 P 0.31661785859778 0.05637752106896 0.21524270472203 30.974 > 22 86 P 0.81661785859778 0.05637752106896 0.21524270472203 30.974 > 22 87 P 0.31661785859778 0.05637752106896 0.71524270472203 30.974 > 22 88 P 0.81661785859778 0.05637752106896 0.71524270472203 30.974 > 22 89 P 0.03372962000523 0.27493708957097 0.43245757572698 30.974 > 23 90 P 0.53372962000523 0.27493708957097 0.43245757572698 30.974 > 23 91 P 0.03372962000523 0.27493708957097 0.93245757572698 30.974 > 23 92 P 0.53372962000523 0.27493708957097 0.93245757572698 30.974 > 23 93 P 0.46627037999477 0.77493708957097 0.31754242427302 30.974 > 24 94 P 0.96627037999477 0.77493708957097 0.31754242427302 30.974 > 24 95 P 0.46627037999477 0.77493708957097 0.81754242427302 30.974 > 24 96 P 0.96627037999477 0.77493708957097 0.81754242427302 30.974 > 24 *97 Fe 0.42919986955625 0.32958837852415 0.05921682764172 55.845 > 25 98 Fe 0.92919986955625 0.32958837852415 0.05921682764172 55.845 > 25 99 Fe 0.42919986955625 0.32958837852415 0.55921682764172 55.845 > 25 100 Fe 0.92919986955625 0.32958837852415 0.55921682764172 55.845 > 25 101 Fe 0.07080013044375 0.82958837852415 0.19078317235828 55.845 > 26 102 Fe 0.57080013044375 0.82958837852415 0.19078317235828 55.845 > 26 103 Fe 0.07080013044375 0.82958837852415 0.69078317235828 55.845 > 26 104 Fe 0.57080013044375 0.82958837852415 0.69078317235828 55.845 > 26 105 Fe 0.07080013044375 0.67041162147585 0.44078317235828 55.845 > 27 106 Fe 0.57080013044375 0.67041162147585 0.44078317235828 55.845 > 27 107 Fe 0.07080013044375 0.67041162147585 0.94078317235828 55.845 > 27 108 Fe 0.57080013044375 0.67041162147585 0.94078317235828 55.845 > 27 109 Fe 0.42919986955625 0.17041162147585 0.30921682764172 55.845 > 28 110 Fe 0.92919986955625 0.17041162147585 0.30921682764172 55.845 > 28 111 Fe 0.42919986955625 0.17041162147585 0.80921682764172 55.845 > 28 112 Fe 0.92919986955625 0.17041162147585 0.80921682764172 55.845 > 28 *113 Fe 0.00000000000000 0.50000000000000 0.25000000000000 55.845 > 29 114 Fe 0.50000000000000 0.50000000000000 0.25000000000000 55.845 > 29 115 Fe 0.00000000000000 0.50000000000000 0.75000000000000 55.845 > 29 116 Fe 0.50000000000000 0.50000000000000 0.75000000000000 55.845 > 29 117 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 30 118 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 30 119 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 30 120 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.3754224 0.0000000 0.1230367 0.0000000 20.9148180 0.0000000 0.1230629 0.0000000 20.1855946 -------------------------- Born effective charges -------------------------- 1 P 1.2510363 0.1234294 -0.2117899 0.1233384 1.1685213 0.3836306 -0.3117037 0.2037587 0.5479422 2 P 1.2510363 -0.1234294 -0.2117899 -0.1233384 1.1685213 -0.3836306 -0.3117037 -0.2037587 0.5479422 3 P 1.2510363 0.1234294 -0.2117899 0.1233384 1.1685213 0.3836306 -0.3117037 0.2037587 0.5479422 4 P 1.2510363 -0.1234294 -0.2117899 -0.1233384 1.1685213 -0.3836306 -0.3117037 -0.2037587 0.5479422 5 P 2.2497532 -0.3925687 -0.0739071 0.1020325 1.4558098 -0.0565088 0.0691265 -0.2191693 1.7221175 6 P 2.2497532 0.3925687 -0.0739071 -0.1020325 1.4558098 0.0565088 0.0691265 0.2191693 1.7221175 7 P 1.7953837 -0.3935318 -0.0094056 0.0459302 1.5182993 -0.0194725 -0.1426894 0.0773420 1.3359131 8 P 1.7953837 0.3935318 -0.0094056 -0.0459302 1.5182993 0.0194725 -0.1426894 -0.0773420 1.3359131 9 P 1.7953837 -0.3935318 -0.0094056 0.0459302 1.5182993 -0.0194725 -0.1426894 0.0773420 1.3359131 10 P 1.7953837 0.3935318 -0.0094056 -0.0459302 1.5182993 0.0194725 -0.1426894 -0.0773420 1.3359131 11 P 1.7329890 0.1715368 -0.0619956 0.2910055 1.4768111 -0.0985700 0.3789213 -0.0306401 1.7328907 12 P 1.7329890 -0.1715368 -0.0619956 -0.2910055 1.4768111 0.0985700 0.3789213 0.0306401 1.7328907 13 P 1.7329890 0.1715368 -0.0619956 0.2910055 1.4768111 -0.0985700 0.3789213 -0.0306401 1.7328907 14 P 1.7329890 -0.1715368 -0.0619956 -0.2910055 1.4768111 0.0985700 0.3789213 0.0306401 1.7328907 15 P 1.1802662 0.2900970 0.2935134 -0.1560134 1.6295047 0.0346005 0.2409170 0.2599568 1.0875960 16 P 1.1802662 -0.2900970 0.2935134 0.1560134 1.6295047 -0.0346005 0.2409170 -0.2599568 1.0875960 17 P 1.1802662 0.2900970 0.2935134 -0.1560134 1.6295047 0.0346005 0.2409170 0.2599568 1.0875960 18 P 1.1802662 -0.2900970 0.2935134 0.1560134 1.6295047 -0.0346005 0.2409170 -0.2599568 1.0875960 19 P 1.1799583 -0.5432740 0.3334564 -0.2875100 1.5787412 -0.5471078 0.2288370 -0.6879009 1.2374660 20 P 1.1799583 0.5432740 0.3334564 0.2875100 1.5787412 0.5471078 0.2288370 0.6879009 1.2374660 21 P 1.1799583 -0.5432740 0.3334564 -0.2875100 1.5787412 -0.5471078 0.2288370 -0.6879009 1.2374660 22 P 1.1799583 0.5432740 0.3334564 0.2875100 1.5787412 0.5471078 0.2288370 0.6879009 1.2374660 23 P 2.2497532 0.3925687 -0.0739071 -0.1020325 1.4558098 0.0565088 0.0691265 0.2191693 1.7221175 24 P 2.2497532 -0.3925687 -0.0739071 0.1020325 1.4558098 -0.0565088 0.0691265 -0.2191693 1.7221175 25 Fe -6.4019856 0.6324483 -0.3347995 0.6919615 -5.8750558 0.1753653 -0.3932532 0.2383101 -5.1922277 26 Fe -6.4019856 -0.6324483 -0.3347995 -0.6919615 -5.8750558 -0.1753653 -0.3932532 -0.2383101 -5.1922277 27 Fe -6.4019856 0.6324483 -0.3347995 0.6919615 -5.8750558 0.1753653 -0.3932532 0.2383101 -5.1922277 28 Fe -6.4019856 -0.6324483 -0.3347995 -0.6919615 -5.8750558 -0.1753653 -0.3932532 -0.2383101 -5.1922277 29 Fe -5.9748019 0.6679131 0.1298559 0.4813029 -5.9052633 0.9380284 -0.1403107 1.2370535 -4.9433959 30 Fe -5.9748019 -0.6679131 0.1298559 -0.4813029 -5.9052633 -0.9380284 -0.1403107 -1.2370535 -4.9433959 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4194 Number of blocks in projector: 4194 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: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (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: 902 / 902 (1) 387 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (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: 902 / 902 (1) 391 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (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: 902 / 902 (1) 387 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 496 Use standard eigh solver. Tree of FC basis block matrices: - (4194, 4123), data: False |-- (496, 488), data: True |-- (496, 488), data: True |-- (496, 488), data: True |-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 387), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (902, 887), data: False |-- (902, 11), data: (902, 26) @ (26, 11) |-- (402, 391), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 387), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.043 Solver_block: 200 / 960 - Time: 0.955 Solver_block: 300 / 960 - Time: 0.960 Solver_block: 400 / 960 - Time: 0.959 Solver_block: 500 / 960 - Time: 0.959 Solver_block: 600 / 960 - Time: 0.963 Solver_block: 700 / 960 - Time: 0.960 Solver_block: 800 / 960 - Time: 0.954 Solver_block: 900 / 960 - Time: 0.950 Solver_block: 960 / 960 - Time: 0.625 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.573 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4194 Number of blocks in projector: 4194 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: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (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: 902 / 902 (1) 387 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (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: 902 / 902 (1) 391 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (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: 902 / 902 (1) 387 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 496 Use standard eigh solver. Tree of FC basis block matrices: - (4194, 4123), data: False |-- (496, 488), data: True |-- (496, 488), data: True |-- (496, 488), data: True |-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 387), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (902, 887), data: False |-- (902, 11), data: (902, 26) @ (26, 11) |-- (402, 391), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 387), 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:00:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:00:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.568209840016210 0.000000000000000 0.000000000000000 b 0.000000000000000 13.542832669999999 0.000000000000000 c -1.376778771793232 0.000000000000000 6.797215337849862 Atomic positions (fractional): 1 P 0.50755340225715 0.22009717830110 0.03228861983310 30.974 2 P 0.49244659774285 0.72009717830110 0.46771138016690 30.974 3 P 0.49244659774285 0.77990282169890 0.96771138016691 30.974 4 P 0.50755340225715 0.27990282169890 0.53228861983309 30.974 5 P 0.06745924001046 0.22506291042903 0.36491515145395 30.974 6 P 0.93254075998954 0.72506291042903 0.13508484854605 30.974 7 P 0.80771756247823 0.94550523191697 0.24985088108017 30.974 8 P 0.19228243752177 0.44550523191697 0.25014911891983 30.974 9 P 0.19228243752177 0.05449476808304 0.75014911891983 30.974 10 P 0.80771756247823 0.55449476808303 0.74985088108017 30.974 11 P 0.65681214867216 0.10671037591894 0.85308476034838 30.974 12 P 0.34318785132784 0.60671037591894 0.64691523965162 30.974 13 P 0.34318785132784 0.89328962408106 0.14691523965162 30.974 14 P 0.65681214867216 0.39328962408106 0.35308476034838 30.974 15 P 0.73834794746997 0.88791637007369 0.80584591067832 30.974 16 P 0.26165205253003 0.38791637007369 0.69415408932168 30.974 17 P 0.26165205253003 0.11208362992630 0.19415408932168 30.974 18 P 0.73834794746997 0.61208362992631 0.30584591067832 30.974 19 P 0.63323571719555 0.44362247893105 0.93048540944405 30.974 20 P 0.36676428280445 0.94362247893105 0.56951459055595 30.974 21 P 0.36676428280445 0.55637752106895 0.06951459055595 30.974 22 P 0.63323571719555 0.05637752106896 0.43048540944405 30.974 23 P 0.06745924001046 0.27493708957097 0.86491515145395 30.974 24 P 0.93254075998954 0.77493708957097 0.63508484854605 30.974 25 Fe 0.85839973911251 0.32958837852415 0.11843365528344 55.845 26 Fe 0.14160026088749 0.82958837852415 0.38156634471656 55.845 27 Fe 0.14160026088749 0.67041162147585 0.88156634471656 55.845 28 Fe 0.85839973911251 0.17041162147585 0.61843365528344 55.845 29 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 30 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.136419680032420 0.000000000000000 0.000000000000000 b 0.000000000000000 13.542832669999999 0.000000000000000 c -2.753557543586464 0.000000000000000 13.594430675699725 Atomic positions (fractional): 1 P 0.25377670112857 0.22009717830110 0.01614430991655 30.974 > 1 2 P 0.75377670112857 0.22009717830110 0.01614430991655 30.974 > 1 3 P 0.25377670112857 0.22009717830110 0.51614430991655 30.974 > 1 4 P 0.75377670112857 0.22009717830110 0.51614430991655 30.974 > 1 5 P 0.24622329887142 0.72009717830110 0.23385569008345 30.974 > 5 6 P 0.74622329887143 0.72009717830110 0.23385569008345 30.974 > 5 7 P 0.24622329887142 0.72009717830110 0.73385569008345 30.974 > 5 8 P 0.74622329887143 0.72009717830110 0.73385569008345 30.974 > 5 9 P 0.24622329887142 0.77990282169890 0.48385569008345 30.974 > 9 10 P 0.74622329887143 0.77990282169890 0.48385569008345 30.974 > 9 11 P 0.24622329887142 0.77990282169890 0.98385569008345 30.974 > 9 12 P 0.74622329887143 0.77990282169890 0.98385569008345 30.974 > 9 13 P 0.25377670112857 0.27990282169890 0.26614430991655 30.974 > 13 14 P 0.75377670112857 0.27990282169890 0.26614430991655 30.974 > 13 15 P 0.25377670112857 0.27990282169890 0.76614430991655 30.974 > 13 16 P 0.75377670112857 0.27990282169890 0.76614430991655 30.974 > 13 17 P 0.03372962000523 0.22506291042903 0.18245757572698 30.974 > 17 18 P 0.53372962000523 0.22506291042903 0.18245757572698 30.974 > 17 19 P 0.03372962000523 0.22506291042903 0.68245757572698 30.974 > 17 20 P 0.53372962000523 0.22506291042903 0.68245757572698 30.974 > 17 21 P 0.46627037999477 0.72506291042903 0.06754242427302 30.974 > 21 22 P 0.96627037999477 0.72506291042903 0.06754242427302 30.974 > 21 23 P 0.46627037999477 0.72506291042903 0.56754242427302 30.974 > 21 24 P 0.96627037999477 0.72506291042903 0.56754242427302 30.974 > 21 25 P 0.40385878123912 0.94550523191697 0.12492544054009 30.974 > 25 26 P 0.90385878123912 0.94550523191697 0.12492544054009 30.974 > 25 27 P 0.40385878123912 0.94550523191697 0.62492544054009 30.974 > 25 28 P 0.90385878123912 0.94550523191697 0.62492544054009 30.974 > 25 29 P 0.09614121876088 0.44550523191697 0.12507455945991 30.974 > 29 30 P 0.59614121876088 0.44550523191697 0.12507455945991 30.974 > 29 31 P 0.09614121876088 0.44550523191697 0.62507455945991 30.974 > 29 32 P 0.59614121876088 0.44550523191697 0.62507455945991 30.974 > 29 33 P 0.09614121876088 0.05449476808304 0.37507455945991 30.974 > 33 34 P 0.59614121876088 0.05449476808304 0.37507455945991 30.974 > 33 35 P 0.09614121876088 0.05449476808304 0.87507455945991 30.974 > 33 36 P 0.59614121876088 0.05449476808304 0.87507455945991 30.974 > 33 37 P 0.40385878123912 0.55449476808303 0.37492544054009 30.974 > 37 38 P 0.90385878123912 0.55449476808303 0.37492544054009 30.974 > 37 39 P 0.40385878123912 0.55449476808303 0.87492544054009 30.974 > 37 40 P 0.90385878123912 0.55449476808303 0.87492544054009 30.974 > 37 41 P 0.32840607433608 0.10671037591894 0.42654238017419 30.974 > 41 42 P 0.82840607433608 0.10671037591894 0.42654238017419 30.974 > 41 43 P 0.32840607433608 0.10671037591894 0.92654238017419 30.974 > 41 44 P 0.82840607433608 0.10671037591894 0.92654238017419 30.974 > 41 45 P 0.17159392566392 0.60671037591894 0.32345761982581 30.974 > 45 46 P 0.67159392566392 0.60671037591894 0.32345761982581 30.974 > 45 47 P 0.17159392566392 0.60671037591894 0.82345761982581 30.974 > 45 48 P 0.67159392566392 0.60671037591894 0.82345761982581 30.974 > 45 49 P 0.17159392566392 0.89328962408106 0.07345761982581 30.974 > 49 50 P 0.67159392566392 0.89328962408106 0.07345761982581 30.974 > 49 51 P 0.17159392566392 0.89328962408106 0.57345761982581 30.974 > 49 52 P 0.67159392566392 0.89328962408106 0.57345761982581 30.974 > 49 53 P 0.32840607433608 0.39328962408106 0.17654238017419 30.974 > 53 54 P 0.82840607433608 0.39328962408106 0.17654238017419 30.974 > 53 55 P 0.32840607433608 0.39328962408106 0.67654238017419 30.974 > 53 56 P 0.82840607433608 0.39328962408106 0.67654238017419 30.974 > 53 57 P 0.36917397373498 0.88791637007369 0.40292295533916 30.974 > 57 58 P 0.86917397373498 0.88791637007369 0.40292295533916 30.974 > 57 59 P 0.36917397373498 0.88791637007369 0.90292295533916 30.974 > 57 60 P 0.86917397373498 0.88791637007369 0.90292295533916 30.974 > 57 61 P 0.13082602626502 0.38791637007369 0.34707704466084 30.974 > 61 62 P 0.63082602626502 0.38791637007369 0.34707704466084 30.974 > 61 63 P 0.13082602626502 0.38791637007369 0.84707704466084 30.974 > 61 64 P 0.63082602626502 0.38791637007369 0.84707704466084 30.974 > 61 65 P 0.13082602626502 0.11208362992630 0.09707704466084 30.974 > 65 66 P 0.63082602626502 0.11208362992630 0.09707704466084 30.974 > 65 67 P 0.13082602626502 0.11208362992630 0.59707704466084 30.974 > 65 68 P 0.63082602626502 0.11208362992630 0.59707704466084 30.974 > 65 69 P 0.36917397373498 0.61208362992631 0.15292295533916 30.974 > 69 70 P 0.86917397373498 0.61208362992631 0.15292295533916 30.974 > 69 71 P 0.36917397373498 0.61208362992631 0.65292295533916 30.974 > 69 72 P 0.86917397373498 0.61208362992631 0.65292295533916 30.974 > 69 73 P 0.31661785859778 0.44362247893105 0.46524270472202 30.974 > 73 74 P 0.81661785859778 0.44362247893105 0.46524270472202 30.974 > 73 75 P 0.31661785859778 0.44362247893105 0.96524270472202 30.974 > 73 76 P 0.81661785859778 0.44362247893105 0.96524270472202 30.974 > 73 77 P 0.18338214140222 0.94362247893105 0.28475729527798 30.974 > 77 78 P 0.68338214140222 0.94362247893105 0.28475729527798 30.974 > 77 79 P 0.18338214140222 0.94362247893105 0.78475729527798 30.974 > 77 80 P 0.68338214140222 0.94362247893105 0.78475729527798 30.974 > 77 81 P 0.18338214140222 0.55637752106895 0.03475729527797 30.974 > 81 82 P 0.68338214140222 0.55637752106895 0.03475729527797 30.974 > 81 83 P 0.18338214140222 0.55637752106895 0.53475729527797 30.974 > 81 84 P 0.68338214140222 0.55637752106895 0.53475729527797 30.974 > 81 85 P 0.31661785859778 0.05637752106896 0.21524270472203 30.974 > 85 86 P 0.81661785859778 0.05637752106896 0.21524270472203 30.974 > 85 87 P 0.31661785859778 0.05637752106896 0.71524270472203 30.974 > 85 88 P 0.81661785859778 0.05637752106896 0.71524270472203 30.974 > 85 89 P 0.03372962000523 0.27493708957097 0.43245757572698 30.974 > 89 90 P 0.53372962000523 0.27493708957097 0.43245757572698 30.974 > 89 91 P 0.03372962000523 0.27493708957097 0.93245757572698 30.974 > 89 92 P 0.53372962000523 0.27493708957097 0.93245757572698 30.974 > 89 93 P 0.46627037999477 0.77493708957097 0.31754242427302 30.974 > 93 94 P 0.96627037999477 0.77493708957097 0.31754242427302 30.974 > 93 95 P 0.46627037999477 0.77493708957097 0.81754242427302 30.974 > 93 96 P 0.96627037999477 0.77493708957097 0.81754242427302 30.974 > 93 97 Fe 0.42919986955625 0.32958837852415 0.05921682764172 55.845 > 97 98 Fe 0.92919986955625 0.32958837852415 0.05921682764172 55.845 > 97 99 Fe 0.42919986955625 0.32958837852415 0.55921682764172 55.845 > 97 100 Fe 0.92919986955625 0.32958837852415 0.55921682764172 55.845 > 97 101 Fe 0.07080013044375 0.82958837852415 0.19078317235828 55.845 > 101 102 Fe 0.57080013044375 0.82958837852415 0.19078317235828 55.845 > 101 103 Fe 0.07080013044375 0.82958837852415 0.69078317235828 55.845 > 101 104 Fe 0.57080013044375 0.82958837852415 0.69078317235828 55.845 > 101 105 Fe 0.07080013044375 0.67041162147585 0.44078317235828 55.845 > 105 106 Fe 0.57080013044375 0.67041162147585 0.44078317235828 55.845 > 105 107 Fe 0.07080013044375 0.67041162147585 0.94078317235828 55.845 > 105 108 Fe 0.57080013044375 0.67041162147585 0.94078317235828 55.845 > 105 109 Fe 0.42919986955625 0.17041162147585 0.30921682764172 55.845 > 109 110 Fe 0.92919986955625 0.17041162147585 0.30921682764172 55.845 > 109 111 Fe 0.42919986955625 0.17041162147585 0.80921682764172 55.845 > 109 112 Fe 0.92919986955625 0.17041162147585 0.80921682764172 55.845 > 109 113 Fe 0.00000000000000 0.50000000000000 0.25000000000000 55.845 > 113 114 Fe 0.50000000000000 0.50000000000000 0.25000000000000 55.845 > 113 115 Fe 0.00000000000000 0.50000000000000 0.75000000000000 55.845 > 113 116 Fe 0.50000000000000 0.50000000000000 0.75000000000000 55.845 > 113 117 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 117 118 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 117 119 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 117 120 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.3754224 0.0000000 0.1230367 0.0000000 20.9148180 0.0000000 0.1230629 0.0000000 20.1855946 -------------------------- Born effective charges -------------------------- 1 P 1.2510363 0.1234294 -0.2117899 0.1233384 1.1685213 0.3836306 -0.3117037 0.2037587 0.5479422 2 P 1.2510363 -0.1234294 -0.2117899 -0.1233384 1.1685213 -0.3836306 -0.3117037 -0.2037587 0.5479422 3 P 1.2510363 0.1234294 -0.2117899 0.1233384 1.1685213 0.3836306 -0.3117037 0.2037587 0.5479422 4 P 1.2510363 -0.1234294 -0.2117899 -0.1233384 1.1685213 -0.3836306 -0.3117037 -0.2037587 0.5479422 5 P 2.2497532 -0.3925687 -0.0739071 0.1020325 1.4558098 -0.0565088 0.0691265 -0.2191693 1.7221175 6 P 2.2497532 0.3925687 -0.0739071 -0.1020325 1.4558098 0.0565088 0.0691265 0.2191693 1.7221175 7 P 1.7953837 -0.3935318 -0.0094056 0.0459302 1.5182993 -0.0194725 -0.1426894 0.0773420 1.3359131 8 P 1.7953837 0.3935318 -0.0094056 -0.0459302 1.5182993 0.0194725 -0.1426894 -0.0773420 1.3359131 9 P 1.7953837 -0.3935318 -0.0094056 0.0459302 1.5182993 -0.0194725 -0.1426894 0.0773420 1.3359131 10 P 1.7953837 0.3935318 -0.0094056 -0.0459302 1.5182993 0.0194725 -0.1426894 -0.0773420 1.3359131 11 P 1.7329890 0.1715368 -0.0619956 0.2910055 1.4768111 -0.0985700 0.3789213 -0.0306401 1.7328907 12 P 1.7329890 -0.1715368 -0.0619956 -0.2910055 1.4768111 0.0985700 0.3789213 0.0306401 1.7328907 13 P 1.7329890 0.1715368 -0.0619956 0.2910055 1.4768111 -0.0985700 0.3789213 -0.0306401 1.7328907 14 P 1.7329890 -0.1715368 -0.0619956 -0.2910055 1.4768111 0.0985700 0.3789213 0.0306401 1.7328907 15 P 1.1802662 0.2900970 0.2935134 -0.1560134 1.6295047 0.0346005 0.2409170 0.2599568 1.0875960 16 P 1.1802662 -0.2900970 0.2935134 0.1560134 1.6295047 -0.0346005 0.2409170 -0.2599568 1.0875960 17 P 1.1802662 0.2900970 0.2935134 -0.1560134 1.6295047 0.0346005 0.2409170 0.2599568 1.0875960 18 P 1.1802662 -0.2900970 0.2935134 0.1560134 1.6295047 -0.0346005 0.2409170 -0.2599568 1.0875960 19 P 1.1799583 -0.5432740 0.3334564 -0.2875100 1.5787412 -0.5471078 0.2288370 -0.6879009 1.2374660 20 P 1.1799583 0.5432740 0.3334564 0.2875100 1.5787412 0.5471078 0.2288370 0.6879009 1.2374660 21 P 1.1799583 -0.5432740 0.3334564 -0.2875100 1.5787412 -0.5471078 0.2288370 -0.6879009 1.2374660 22 P 1.1799583 0.5432740 0.3334564 0.2875100 1.5787412 0.5471078 0.2288370 0.6879009 1.2374660 23 P 2.2497532 0.3925687 -0.0739071 -0.1020325 1.4558098 0.0565088 0.0691265 0.2191693 1.7221175 24 P 2.2497532 -0.3925687 -0.0739071 0.1020325 1.4558098 -0.0565088 0.0691265 -0.2191693 1.7221175 25 Fe -6.4019856 0.6324483 -0.3347995 0.6919615 -5.8750558 0.1753653 -0.3932532 0.2383101 -5.1922277 26 Fe -6.4019856 -0.6324483 -0.3347995 -0.6919615 -5.8750558 -0.1753653 -0.3932532 -0.2383101 -5.1922277 27 Fe -6.4019856 0.6324483 -0.3347995 0.6919615 -5.8750558 0.1753653 -0.3932532 0.2383101 -5.1922277 28 Fe -6.4019856 -0.6324483 -0.3347995 -0.6919615 -5.8750558 -0.1753653 -0.3932532 -0.2383101 -5.1922277 29 Fe -5.9748019 0.6679131 0.1298559 0.4813029 -5.9052633 0.9380284 -0.1403107 1.2370535 -4.9433959 30 Fe -5.9748019 -0.6679131 0.1298559 -0.4813029 -5.9052633 -0.9380284 -0.1403107 -1.2370535 -4.9433959 ---------------------------------------------------------------------------- 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 25, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 41, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 57, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (zx) -0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:01:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:01:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.568209840016210 0.000000000000000 0.000000000000000 b 0.000000000000000 13.542832669999999 0.000000000000000 c -1.376778771793232 0.000000000000000 6.797215337849862 Atomic positions (fractional): 1 P 0.50755340225715 0.22009717830110 0.03228861983310 30.974 2 P 0.49244659774285 0.72009717830110 0.46771138016690 30.974 3 P 0.49244659774285 0.77990282169890 0.96771138016691 30.974 4 P 0.50755340225715 0.27990282169890 0.53228861983309 30.974 5 P 0.06745924001046 0.22506291042903 0.36491515145395 30.974 6 P 0.93254075998954 0.72506291042903 0.13508484854605 30.974 7 P 0.80771756247823 0.94550523191697 0.24985088108017 30.974 8 P 0.19228243752177 0.44550523191697 0.25014911891983 30.974 9 P 0.19228243752177 0.05449476808304 0.75014911891983 30.974 10 P 0.80771756247823 0.55449476808303 0.74985088108017 30.974 11 P 0.65681214867216 0.10671037591894 0.85308476034838 30.974 12 P 0.34318785132784 0.60671037591894 0.64691523965162 30.974 13 P 0.34318785132784 0.89328962408106 0.14691523965162 30.974 14 P 0.65681214867216 0.39328962408106 0.35308476034838 30.974 15 P 0.73834794746997 0.88791637007369 0.80584591067832 30.974 16 P 0.26165205253003 0.38791637007369 0.69415408932168 30.974 17 P 0.26165205253003 0.11208362992630 0.19415408932168 30.974 18 P 0.73834794746997 0.61208362992631 0.30584591067832 30.974 19 P 0.63323571719555 0.44362247893105 0.93048540944405 30.974 20 P 0.36676428280445 0.94362247893105 0.56951459055595 30.974 21 P 0.36676428280445 0.55637752106895 0.06951459055595 30.974 22 P 0.63323571719555 0.05637752106896 0.43048540944405 30.974 23 P 0.06745924001046 0.27493708957097 0.86491515145395 30.974 24 P 0.93254075998954 0.77493708957097 0.63508484854605 30.974 25 Fe 0.85839973911251 0.32958837852415 0.11843365528344 55.845 26 Fe 0.14160026088749 0.82958837852415 0.38156634471656 55.845 27 Fe 0.14160026088749 0.67041162147585 0.88156634471656 55.845 28 Fe 0.85839973911251 0.17041162147585 0.61843365528344 55.845 29 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 30 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.136419680032420 0.000000000000000 0.000000000000000 b 0.000000000000000 13.542832669999999 0.000000000000000 c -2.753557543586464 0.000000000000000 13.594430675699725 Atomic positions (fractional): 1 P 0.25377670112857 0.22009717830110 0.01614430991655 30.974 > 1 2 P 0.75377670112857 0.22009717830110 0.01614430991655 30.974 > 1 3 P 0.25377670112857 0.22009717830110 0.51614430991655 30.974 > 1 4 P 0.75377670112857 0.22009717830110 0.51614430991655 30.974 > 1 5 P 0.24622329887142 0.72009717830110 0.23385569008345 30.974 > 5 6 P 0.74622329887143 0.72009717830110 0.23385569008345 30.974 > 5 7 P 0.24622329887142 0.72009717830110 0.73385569008345 30.974 > 5 8 P 0.74622329887143 0.72009717830110 0.73385569008345 30.974 > 5 9 P 0.24622329887142 0.77990282169890 0.48385569008345 30.974 > 9 10 P 0.74622329887143 0.77990282169890 0.48385569008345 30.974 > 9 11 P 0.24622329887142 0.77990282169890 0.98385569008345 30.974 > 9 12 P 0.74622329887143 0.77990282169890 0.98385569008345 30.974 > 9 13 P 0.25377670112857 0.27990282169890 0.26614430991655 30.974 > 13 14 P 0.75377670112857 0.27990282169890 0.26614430991655 30.974 > 13 15 P 0.25377670112857 0.27990282169890 0.76614430991655 30.974 > 13 16 P 0.75377670112857 0.27990282169890 0.76614430991655 30.974 > 13 17 P 0.03372962000523 0.22506291042903 0.18245757572698 30.974 > 17 18 P 0.53372962000523 0.22506291042903 0.18245757572698 30.974 > 17 19 P 0.03372962000523 0.22506291042903 0.68245757572698 30.974 > 17 20 P 0.53372962000523 0.22506291042903 0.68245757572698 30.974 > 17 21 P 0.46627037999477 0.72506291042903 0.06754242427302 30.974 > 21 22 P 0.96627037999477 0.72506291042903 0.06754242427302 30.974 > 21 23 P 0.46627037999477 0.72506291042903 0.56754242427302 30.974 > 21 24 P 0.96627037999477 0.72506291042903 0.56754242427302 30.974 > 21 25 P 0.40385878123912 0.94550523191697 0.12492544054009 30.974 > 25 26 P 0.90385878123912 0.94550523191697 0.12492544054009 30.974 > 25 27 P 0.40385878123912 0.94550523191697 0.62492544054009 30.974 > 25 28 P 0.90385878123912 0.94550523191697 0.62492544054009 30.974 > 25 29 P 0.09614121876088 0.44550523191697 0.12507455945991 30.974 > 29 30 P 0.59614121876088 0.44550523191697 0.12507455945991 30.974 > 29 31 P 0.09614121876088 0.44550523191697 0.62507455945991 30.974 > 29 32 P 0.59614121876088 0.44550523191697 0.62507455945991 30.974 > 29 33 P 0.09614121876088 0.05449476808304 0.37507455945991 30.974 > 33 34 P 0.59614121876088 0.05449476808304 0.37507455945991 30.974 > 33 35 P 0.09614121876088 0.05449476808304 0.87507455945991 30.974 > 33 36 P 0.59614121876088 0.05449476808304 0.87507455945991 30.974 > 33 37 P 0.40385878123912 0.55449476808303 0.37492544054009 30.974 > 37 38 P 0.90385878123912 0.55449476808303 0.37492544054009 30.974 > 37 39 P 0.40385878123912 0.55449476808303 0.87492544054009 30.974 > 37 40 P 0.90385878123912 0.55449476808303 0.87492544054009 30.974 > 37 41 P 0.32840607433608 0.10671037591894 0.42654238017419 30.974 > 41 42 P 0.82840607433608 0.10671037591894 0.42654238017419 30.974 > 41 43 P 0.32840607433608 0.10671037591894 0.92654238017419 30.974 > 41 44 P 0.82840607433608 0.10671037591894 0.92654238017419 30.974 > 41 45 P 0.17159392566392 0.60671037591894 0.32345761982581 30.974 > 45 46 P 0.67159392566392 0.60671037591894 0.32345761982581 30.974 > 45 47 P 0.17159392566392 0.60671037591894 0.82345761982581 30.974 > 45 48 P 0.67159392566392 0.60671037591894 0.82345761982581 30.974 > 45 49 P 0.17159392566392 0.89328962408106 0.07345761982581 30.974 > 49 50 P 0.67159392566392 0.89328962408106 0.07345761982581 30.974 > 49 51 P 0.17159392566392 0.89328962408106 0.57345761982581 30.974 > 49 52 P 0.67159392566392 0.89328962408106 0.57345761982581 30.974 > 49 53 P 0.32840607433608 0.39328962408106 0.17654238017419 30.974 > 53 54 P 0.82840607433608 0.39328962408106 0.17654238017419 30.974 > 53 55 P 0.32840607433608 0.39328962408106 0.67654238017419 30.974 > 53 56 P 0.82840607433608 0.39328962408106 0.67654238017419 30.974 > 53 57 P 0.36917397373498 0.88791637007369 0.40292295533916 30.974 > 57 58 P 0.86917397373498 0.88791637007369 0.40292295533916 30.974 > 57 59 P 0.36917397373498 0.88791637007369 0.90292295533916 30.974 > 57 60 P 0.86917397373498 0.88791637007369 0.90292295533916 30.974 > 57 61 P 0.13082602626502 0.38791637007369 0.34707704466084 30.974 > 61 62 P 0.63082602626502 0.38791637007369 0.34707704466084 30.974 > 61 63 P 0.13082602626502 0.38791637007369 0.84707704466084 30.974 > 61 64 P 0.63082602626502 0.38791637007369 0.84707704466084 30.974 > 61 65 P 0.13082602626502 0.11208362992630 0.09707704466084 30.974 > 65 66 P 0.63082602626502 0.11208362992630 0.09707704466084 30.974 > 65 67 P 0.13082602626502 0.11208362992630 0.59707704466084 30.974 > 65 68 P 0.63082602626502 0.11208362992630 0.59707704466084 30.974 > 65 69 P 0.36917397373498 0.61208362992631 0.15292295533916 30.974 > 69 70 P 0.86917397373498 0.61208362992631 0.15292295533916 30.974 > 69 71 P 0.36917397373498 0.61208362992631 0.65292295533916 30.974 > 69 72 P 0.86917397373498 0.61208362992631 0.65292295533916 30.974 > 69 73 P 0.31661785859778 0.44362247893105 0.46524270472202 30.974 > 73 74 P 0.81661785859778 0.44362247893105 0.46524270472202 30.974 > 73 75 P 0.31661785859778 0.44362247893105 0.96524270472202 30.974 > 73 76 P 0.81661785859778 0.44362247893105 0.96524270472202 30.974 > 73 77 P 0.18338214140222 0.94362247893105 0.28475729527798 30.974 > 77 78 P 0.68338214140222 0.94362247893105 0.28475729527798 30.974 > 77 79 P 0.18338214140222 0.94362247893105 0.78475729527798 30.974 > 77 80 P 0.68338214140222 0.94362247893105 0.78475729527798 30.974 > 77 81 P 0.18338214140222 0.55637752106895 0.03475729527797 30.974 > 81 82 P 0.68338214140222 0.55637752106895 0.03475729527797 30.974 > 81 83 P 0.18338214140222 0.55637752106895 0.53475729527797 30.974 > 81 84 P 0.68338214140222 0.55637752106895 0.53475729527797 30.974 > 81 85 P 0.31661785859778 0.05637752106896 0.21524270472203 30.974 > 85 86 P 0.81661785859778 0.05637752106896 0.21524270472203 30.974 > 85 87 P 0.31661785859778 0.05637752106896 0.71524270472203 30.974 > 85 88 P 0.81661785859778 0.05637752106896 0.71524270472203 30.974 > 85 89 P 0.03372962000523 0.27493708957097 0.43245757572698 30.974 > 89 90 P 0.53372962000523 0.27493708957097 0.43245757572698 30.974 > 89 91 P 0.03372962000523 0.27493708957097 0.93245757572698 30.974 > 89 92 P 0.53372962000523 0.27493708957097 0.93245757572698 30.974 > 89 93 P 0.46627037999477 0.77493708957097 0.31754242427302 30.974 > 93 94 P 0.96627037999477 0.77493708957097 0.31754242427302 30.974 > 93 95 P 0.46627037999477 0.77493708957097 0.81754242427302 30.974 > 93 96 P 0.96627037999477 0.77493708957097 0.81754242427302 30.974 > 93 97 Fe 0.42919986955625 0.32958837852415 0.05921682764172 55.845 > 97 98 Fe 0.92919986955625 0.32958837852415 0.05921682764172 55.845 > 97 99 Fe 0.42919986955625 0.32958837852415 0.55921682764172 55.845 > 97 100 Fe 0.92919986955625 0.32958837852415 0.55921682764172 55.845 > 97 101 Fe 0.07080013044375 0.82958837852415 0.19078317235828 55.845 > 101 102 Fe 0.57080013044375 0.82958837852415 0.19078317235828 55.845 > 101 103 Fe 0.07080013044375 0.82958837852415 0.69078317235828 55.845 > 101 104 Fe 0.57080013044375 0.82958837852415 0.69078317235828 55.845 > 101 105 Fe 0.07080013044375 0.67041162147585 0.44078317235828 55.845 > 105 106 Fe 0.57080013044375 0.67041162147585 0.44078317235828 55.845 > 105 107 Fe 0.07080013044375 0.67041162147585 0.94078317235828 55.845 > 105 108 Fe 0.57080013044375 0.67041162147585 0.94078317235828 55.845 > 105 109 Fe 0.42919986955625 0.17041162147585 0.30921682764172 55.845 > 109 110 Fe 0.92919986955625 0.17041162147585 0.30921682764172 55.845 > 109 111 Fe 0.42919986955625 0.17041162147585 0.80921682764172 55.845 > 109 112 Fe 0.92919986955625 0.17041162147585 0.80921682764172 55.845 > 109 113 Fe 0.00000000000000 0.50000000000000 0.25000000000000 55.845 > 113 114 Fe 0.50000000000000 0.50000000000000 0.25000000000000 55.845 > 113 115 Fe 0.00000000000000 0.50000000000000 0.75000000000000 55.845 > 113 116 Fe 0.50000000000000 0.50000000000000 0.75000000000000 55.845 > 113 117 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 117 118 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 117 119 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 117 120 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 19.3754224 0.0000000 0.1230367 0.0000000 20.9148180 0.0000000 0.1230629 0.0000000 20.1855946 -------------------------- Born effective charges -------------------------- 1 P 1.2510363 0.1234294 -0.2117899 0.1233384 1.1685213 0.3836306 -0.3117037 0.2037587 0.5479422 2 P 1.2510363 -0.1234294 -0.2117899 -0.1233384 1.1685213 -0.3836306 -0.3117037 -0.2037587 0.5479422 3 P 1.2510363 0.1234294 -0.2117899 0.1233384 1.1685213 0.3836306 -0.3117037 0.2037587 0.5479422 4 P 1.2510363 -0.1234294 -0.2117899 -0.1233384 1.1685213 -0.3836306 -0.3117037 -0.2037587 0.5479422 5 P 2.2497532 -0.3925687 -0.0739071 0.1020325 1.4558098 -0.0565088 0.0691265 -0.2191693 1.7221175 6 P 2.2497532 0.3925687 -0.0739071 -0.1020325 1.4558098 0.0565088 0.0691265 0.2191693 1.7221175 7 P 1.7953837 -0.3935318 -0.0094056 0.0459302 1.5182993 -0.0194725 -0.1426894 0.0773420 1.3359131 8 P 1.7953837 0.3935318 -0.0094056 -0.0459302 1.5182993 0.0194725 -0.1426894 -0.0773420 1.3359131 9 P 1.7953837 -0.3935318 -0.0094056 0.0459302 1.5182993 -0.0194725 -0.1426894 0.0773420 1.3359131 10 P 1.7953837 0.3935318 -0.0094056 -0.0459302 1.5182993 0.0194725 -0.1426894 -0.0773420 1.3359131 11 P 1.7329890 0.1715368 -0.0619956 0.2910055 1.4768111 -0.0985700 0.3789213 -0.0306401 1.7328907 12 P 1.7329890 -0.1715368 -0.0619956 -0.2910055 1.4768111 0.0985700 0.3789213 0.0306401 1.7328907 13 P 1.7329890 0.1715368 -0.0619956 0.2910055 1.4768111 -0.0985700 0.3789213 -0.0306401 1.7328907 14 P 1.7329890 -0.1715368 -0.0619956 -0.2910055 1.4768111 0.0985700 0.3789213 0.0306401 1.7328907 15 P 1.1802662 0.2900970 0.2935134 -0.1560134 1.6295047 0.0346005 0.2409170 0.2599568 1.0875960 16 P 1.1802662 -0.2900970 0.2935134 0.1560134 1.6295047 -0.0346005 0.2409170 -0.2599568 1.0875960 17 P 1.1802662 0.2900970 0.2935134 -0.1560134 1.6295047 0.0346005 0.2409170 0.2599568 1.0875960 18 P 1.1802662 -0.2900970 0.2935134 0.1560134 1.6295047 -0.0346005 0.2409170 -0.2599568 1.0875960 19 P 1.1799583 -0.5432740 0.3334564 -0.2875100 1.5787412 -0.5471078 0.2288370 -0.6879009 1.2374660 20 P 1.1799583 0.5432740 0.3334564 0.2875100 1.5787412 0.5471078 0.2288370 0.6879009 1.2374660 21 P 1.1799583 -0.5432740 0.3334564 -0.2875100 1.5787412 -0.5471078 0.2288370 -0.6879009 1.2374660 22 P 1.1799583 0.5432740 0.3334564 0.2875100 1.5787412 0.5471078 0.2288370 0.6879009 1.2374660 23 P 2.2497532 0.3925687 -0.0739071 -0.1020325 1.4558098 0.0565088 0.0691265 0.2191693 1.7221175 24 P 2.2497532 -0.3925687 -0.0739071 0.1020325 1.4558098 -0.0565088 0.0691265 -0.2191693 1.7221175 25 Fe -6.4019856 0.6324483 -0.3347995 0.6919615 -5.8750558 0.1753653 -0.3932532 0.2383101 -5.1922277 26 Fe -6.4019856 -0.6324483 -0.3347995 -0.6919615 -5.8750558 -0.1753653 -0.3932532 -0.2383101 -5.1922277 27 Fe -6.4019856 0.6324483 -0.3347995 0.6919615 -5.8750558 0.1753653 -0.3932532 0.2383101 -5.1922277 28 Fe -6.4019856 -0.6324483 -0.3347995 -0.6919615 -5.8750558 -0.1753653 -0.3932532 -0.2383101 -5.1922277 29 Fe -5.9748019 0.6679131 0.1298559 0.4813029 -5.9052633 0.9380284 -0.1403107 1.2370535 -4.9433959 30 Fe -5.9748019 -0.6679131 0.1298559 -0.4813029 -5.9052633 -0.9380284 -0.1403107 -1.2370535 -4.9433959 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 4 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 307, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/117) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 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 3.716 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 5.511 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.460 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.220 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.509 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 8.218 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.356 ( 0.000 0.000 0.000) 0.000 8.563 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.823 ( 0.000 0.000 0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 9.160 ( 0.000 0.000 0.000) 0.000 9.562 ( 0.000 0.000 0.000) 0.000 9.772 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 9.825 ( 0.000 0.000 0.000) 0.000 9.893 ( 0.000 0.000 0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 10.001 ( 0.000 0.000 0.000) 0.000 10.175 ( 0.000 0.000 0.000) 0.000 10.268 ( 0.000 0.000 0.000) 0.000 10.382 ( 0.000 0.000 0.000) 0.000 10.612 ( 0.000 0.000 0.000) 0.000 10.650 ( 0.000 0.000 0.000) 0.000 10.709 ( 0.000 0.000 0.000) 0.000 10.798 ( 0.000 0.000 0.000) 0.000 10.953 ( 0.000 0.000 0.000) 0.000 10.963 ( 0.000 0.000 0.000) 0.000 11.269 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.415 ( 0.000 0.000 0.000) 0.000 11.529 ( 0.000 0.000 0.000) 0.000 11.582 ( 0.000 0.000 0.000) 0.000 11.586 ( 0.000 0.000 0.000) 0.000 11.794 ( 0.000 0.000 0.000) 0.000 11.930 ( 0.000 0.000 0.000) 0.000 12.180 ( 0.000 0.000 0.000) 0.000 12.297 ( 0.000 0.000 0.000) 0.000 12.397 ( 0.000 0.000 0.000) 0.000 12.500 ( 0.000 0.000 0.000) 0.000 12.542 ( 0.000 0.000 0.000) 0.000 12.662 ( 0.000 0.000 0.000) 0.000 12.834 ( 0.000 0.000 0.000) 0.000 12.945 ( 0.000 0.000 0.000) 0.000 13.137 ( 0.000 0.000 0.000) 0.000 13.230 ( 0.000 0.000 0.000) 0.000 13.249 ( 0.000 0.000 0.000) 0.000 13.417 ( 0.000 0.000 0.000) 0.000 13.501 ( 0.000 0.000 0.000) 0.000 13.516 ( 0.000 0.000 0.000) 0.000 13.542 ( 0.000 0.000 0.000) 0.000 13.722 ( 0.000 0.000 0.000) 0.000 13.932 ( 0.000 0.000 0.000) 0.000 14.041 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.103 ( 0.000 0.000 0.000) 0.000 14.243 ( 0.000 0.000 0.000) 0.000 14.368 ( 0.000 0.000 0.000) 0.000 14.801 ( 0.000 0.000 0.000) 0.000 14.805 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 15.241 ( 0.000 0.000 0.000) 0.000 15.412 ( 0.000 0.000 0.000) 0.000 15.413 ( 0.000 0.000 0.000) 0.000 15.588 ( 0.000 0.000 0.000) 0.000 15.593 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/117) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 52.388 0.000 12.199) 53.790 1.107 ( 54.131 0.000 4.161) 54.291 1.658 ( 78.375 0.000 20.656) 81.052 3.742 ( 1.835 0.000 0.329) 1.865 3.880 ( 6.718 0.000 -1.928) 6.989 4.111 ( 4.209 0.000 -6.321) 7.594 4.169 ( 4.092 0.000 -9.968) 10.775 5.704 ( 12.141 0.000 -1.223) 12.202 5.842 ( 7.553 0.000 0.610) 7.577 5.952 ( 13.285 0.000 2.142) 13.457 6.037 ( 0.007 0.000 -1.682) 1.682 6.077 ( -0.050 0.000 -5.162) 5.163 6.281 ( -2.628 0.000 -0.243) 2.639 6.495 ( 0.806 0.000 -0.456) 0.926 6.526 ( -3.235 0.000 -7.837) 8.479 6.554 ( -3.320 0.000 -15.381) 15.735 6.752 ( 1.012 0.000 -2.601) 2.791 6.877 ( -12.014 0.000 -1.638) 12.125 6.944 ( -0.653 0.000 -5.786) 5.823 7.007 ( 1.424 0.000 12.475) 12.556 7.195 ( -2.030 0.000 4.970) 5.369 7.228 ( -2.830 0.000 -4.025) 4.921 7.490 ( 2.845 0.000 2.750) 3.957 7.544 ( -2.343 0.000 11.430) 11.668 7.646 ( -4.291 0.000 3.266) 5.392 7.659 ( 7.365 0.000 -1.475) 7.512 8.092 ( -8.392 0.000 0.785) 8.429 8.152 ( -12.319 0.000 8.381) 14.900 8.319 ( 1.143 0.000 -1.800) 2.133 8.331 ( -1.637 0.000 -4.917) 5.182 8.471 ( -9.213 0.000 2.607) 9.575 8.577 ( -12.355 0.000 7.806) 14.614 8.689 ( -6.091 0.000 -14.606) 15.825 8.906 ( 3.715 0.000 -0.768) 3.793 8.980 ( -2.103 0.000 3.058) 3.711 9.188 ( 1.047 0.000 0.084) 1.051 9.553 ( -4.000 0.000 8.370) 9.277 9.698 ( -4.047 0.000 -5.402) 6.749 9.725 ( -1.699 0.000 1.188) 2.073 9.846 ( -1.364 0.000 7.331) 7.457 9.891 ( -0.160 0.000 -3.671) 3.674 9.955 ( -0.993 0.000 -8.191) 8.251 10.087 ( 10.220 0.000 -2.312) 10.478 10.167 ( -0.296 0.000 -2.077) 2.099 10.453 ( 2.909 0.000 9.675) 10.103 10.613 ( 0.633 0.000 -1.505) 1.632 10.616 ( -3.216 0.000 0.330) 3.233 10.732 ( 1.729 0.000 0.092) 1.731 10.770 ( 1.587 0.000 -14.998) 15.081 10.822 ( 3.051 0.000 -15.516) 15.813 10.960 ( 0.137 0.000 -4.103) 4.105 10.964 ( 1.012 0.000 1.378) 1.710 11.194 ( -5.214 0.000 -1.471) 5.418 11.447 ( -7.779 0.000 4.584) 9.029 11.475 ( 3.950 0.000 4.110) 5.701 11.614 ( 0.057 0.000 4.728) 4.728 11.629 ( 4.272 0.000 0.311) 4.284 11.732 ( -2.385 0.000 10.535) 10.802 11.875 ( 6.585 0.000 2.454) 7.027 12.053 ( -6.416 0.000 3.462) 7.290 12.210 ( 3.175 0.000 -0.824) 3.280 12.334 ( 3.156 0.000 0.999) 3.310 12.354 ( -0.649 0.000 -8.964) 8.987 12.540 ( -0.513 0.000 2.917) 2.961 12.566 ( 2.341 0.000 11.493) 11.729 12.679 ( 1.268 0.000 0.630) 1.416 12.855 ( 1.581 0.000 2.054) 2.592 12.940 ( -0.318 0.000 -1.859) 1.886 13.169 ( 2.163 0.000 1.951) 2.913 13.213 ( -1.092 0.000 -1.281) 1.683 13.341 ( 0.951 0.000 -2.974) 3.122 13.403 ( 0.059 0.000 -2.659) 2.660 13.507 ( -2.150 0.000 2.001) 2.937 13.566 ( 1.741 0.000 0.886) 1.954 13.618 ( 0.427 0.000 -1.515) 1.574 13.764 ( 3.849 0.000 -0.910) 3.955 14.003 ( 4.869 0.000 4.274) 6.479 14.049 ( 0.034 0.000 1.135) 1.136 14.062 ( 1.179 0.000 -0.208) 1.197 14.110 ( 0.709 0.000 0.134) 0.721 14.255 ( 1.036 0.000 1.082) 1.498 14.343 ( -2.513 0.000 0.808) 2.640 14.816 ( 1.470 0.000 -1.170) 1.879 14.865 ( 0.796 0.000 0.911) 1.210 15.226 ( -1.174 0.000 0.497) 1.275 15.237 ( 0.516 0.000 -2.862) 2.908 15.398 ( -1.121 0.000 1.061) 1.544 15.421 ( -0.040 0.000 1.734) 1.735 15.579 ( -1.000 0.000 -1.304) 1.643 15.583 ( 0.225 0.000 -3.168) 3.176 ======================= Grid point 2 (3/117) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 49.250 0.000 11.913) 50.670 2.176 ( 51.447 0.000 3.533) 51.569 3.268 ( 74.693 0.000 19.487) 77.193 3.808 ( 6.723 0.000 -0.529) 6.744 3.991 ( 7.442 0.000 -3.380) 8.174 4.336 ( 19.998 0.000 -8.678) 21.799 4.344 ( 17.373 0.000 -12.897) 21.637 5.719 ( -3.001 0.000 -13.643) 13.969 5.988 ( -3.496 0.000 -16.104) 16.479 6.026 ( 9.230 0.000 1.015) 9.285 6.119 ( -2.495 0.000 -8.576) 8.931 6.272 ( 14.225 0.000 3.362) 14.616 6.273 ( 0.547 0.000 -1.132) 1.257 6.388 ( -2.600 0.000 -10.404) 10.724 6.468 ( -0.035 0.000 -3.603) 3.603 6.484 ( 0.960 0.000 -8.794) 8.846 6.660 ( -9.216 0.000 2.974) 9.684 6.785 ( 2.421 0.000 -4.141) 4.797 6.870 ( -2.413 0.000 -8.564) 8.898 6.976 ( -2.965 0.000 -6.058) 6.744 7.181 ( -2.807 0.000 4.727) 5.497 7.273 ( 5.124 0.000 10.979) 12.116 7.454 ( -10.934 0.000 9.392) 14.414 7.484 ( -5.301 0.000 3.542) 6.376 7.607 ( -2.641 0.000 8.691) 9.084 7.746 ( -3.343 0.000 9.201) 9.789 7.888 ( -13.974 0.000 10.018) 17.194 7.896 ( -10.428 0.000 0.055) 10.429 8.167 ( -11.288 0.000 -7.364) 13.478 8.293 ( -2.623 0.000 12.381) 12.656 8.377 ( -0.195 0.000 -7.695) 7.697 8.378 ( -10.037 0.000 3.671) 10.687 8.575 ( -1.810 0.000 0.401) 1.854 8.911 ( -3.786 0.000 1.298) 4.002 8.937 ( -2.028 0.000 0.793) 2.177 9.184 ( -0.051 0.000 0.805) 0.807 9.521 ( -2.577 0.000 10.711) 11.017 9.587 ( -5.363 0.000 -2.708) 6.008 9.740 ( -0.373 0.000 5.833) 5.845 9.821 ( -2.750 0.000 1.913) 3.350 9.859 ( -1.849 0.000 -2.640) 3.223 9.927 ( 0.150 0.000 -4.133) 4.136 10.155 ( 0.584 0.000 -3.258) 3.310 10.251 ( 7.496 0.000 -4.830) 8.917 10.517 ( -0.619 0.000 9.887) 9.906 10.540 ( -3.929 0.000 -1.244) 4.121 10.616 ( -0.467 0.000 -2.143) 2.193 10.746 ( -0.678 0.000 -3.423) 3.489 10.756 ( 0.578 0.000 -1.338) 1.458 10.808 ( 1.265 0.000 -11.096) 11.168 10.926 ( -1.316 0.000 -6.683) 6.811 11.013 ( 3.109 0.000 2.068) 3.734 11.104 ( -1.718 0.000 -4.181) 4.520 11.261 ( -13.573 0.000 6.335) 14.979 11.528 ( -11.099 0.000 4.993) 12.170 11.565 ( 2.865 0.000 5.453) 6.160 11.757 ( 8.228 0.000 0.373) 8.236 11.769 ( 4.890 0.000 -1.233) 5.043 11.942 ( -4.059 0.000 -2.808) 4.936 12.028 ( 6.941 0.000 3.380) 7.720 12.296 ( 5.576 0.000 -0.722) 5.623 12.329 ( 1.564 0.000 -7.374) 7.538 12.410 ( 3.420 0.000 1.170) 3.614 12.556 ( 0.518 0.000 6.020) 6.042 12.663 ( 3.240 0.000 8.669) 9.254 12.702 ( 0.379 0.000 1.467) 1.515 12.907 ( 2.338 0.000 3.205) 3.967 12.935 ( 0.930 0.000 -3.116) 3.252 13.196 ( 0.402 0.000 -1.654) 1.702 13.212 ( 0.988 0.000 1.724) 1.987 13.348 ( 0.607 0.000 -1.890) 1.985 13.415 ( 2.118 0.000 -2.140) 3.010 13.454 ( -2.703 0.000 0.105) 2.705 13.612 ( 2.684 0.000 0.263) 2.697 13.654 ( 3.309 0.000 -3.059) 4.506 13.839 ( 3.748 0.000 -2.453) 4.479 14.057 ( 0.092 0.000 2.202) 2.204 14.096 ( 1.907 0.000 4.390) 4.786 14.126 ( 5.805 0.000 -1.063) 5.902 14.135 ( 1.691 0.000 -0.012) 1.691 14.283 ( -3.722 0.000 1.203) 3.912 14.296 ( 2.488 0.000 2.108) 3.261 14.840 ( 1.320 0.000 -1.840) 2.264 14.891 ( 1.201 0.000 1.534) 1.949 15.189 ( -2.497 0.000 0.216) 2.506 15.236 ( 0.537 0.000 -3.674) 3.713 15.374 ( -2.022 0.000 2.806) 3.459 15.429 ( 0.248 0.000 2.188) 2.202 15.550 ( -1.127 0.000 -1.950) 2.252 15.578 ( 1.128 0.000 -5.548) 5.661 ======================= Grid point 3 (4/117) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 44.080 0.000 11.820) 45.637 3.171 ( 46.925 0.000 3.075) 47.025 4.044 ( 17.812 0.000 -0.995) 17.840 4.209 ( 15.835 0.000 -3.441) 16.204 4.680 ( 28.469 0.000 -8.069) 29.590 4.758 ( 24.985 0.000 -10.137) 26.963 4.788 ( 61.029 0.000 10.821) 61.981 5.625 ( 0.131 0.000 -13.559) 13.560 5.833 ( -3.347 0.000 -21.743) 21.999 5.966 ( -11.862 0.000 -18.857) 22.278 6.027 ( -9.286 0.000 -3.011) 9.762 6.095 ( -4.227 0.000 1.030) 4.351 6.375 ( -3.754 0.000 -8.250) 9.064 6.404 ( 2.859 0.000 -10.612) 10.991 6.457 ( -1.996 0.000 -6.787) 7.074 6.474 ( -2.006 0.000 -4.788) 5.191 6.558 ( -1.576 0.000 0.036) 1.577 6.770 ( 0.628 0.000 -13.188) 13.203 6.853 ( -2.320 0.000 4.618) 5.168 6.927 ( -2.219 0.000 -2.683) 3.482 7.118 ( -3.339 0.000 -0.357) 3.358 7.211 ( -14.806 0.000 8.745) 17.195 7.355 ( -5.683 0.000 8.340) 10.092 7.444 ( 3.528 0.000 12.082) 12.586 7.491 ( -17.800 0.000 6.698) 19.019 7.568 ( -2.137 0.000 8.882) 9.135 7.776 ( -7.135 0.000 2.585) 7.589 7.792 ( -6.015 0.000 22.951) 23.726 7.973 ( -4.831 0.000 0.624) 4.872 8.216 ( -6.481 0.000 3.982) 7.606 8.339 ( 0.568 0.000 -7.543) 7.564 8.370 ( 5.001 0.000 13.496) 14.392 8.606 ( 2.828 0.000 3.375) 4.404 8.827 ( -8.088 0.000 3.998) 9.022 8.888 ( 1.480 0.000 0.046) 1.480 9.217 ( 2.196 0.000 -0.849) 2.354 9.467 ( -6.157 0.000 0.338) 6.166 9.513 ( -3.075 0.000 9.690) 10.166 9.720 ( -4.457 0.000 7.069) 8.356 9.749 ( -5.022 0.000 1.744) 5.316 9.798 ( -3.480 0.000 -0.302) 3.494 9.916 ( -0.013 0.000 -1.678) 1.678 10.174 ( 2.888 0.000 -4.904) 5.691 10.343 ( 2.889 0.000 -1.457) 3.235 10.433 ( -7.956 0.000 -4.382) 9.083 10.513 ( -3.156 0.000 6.335) 7.078 10.560 ( -3.803 0.000 -1.893) 4.247 10.708 ( -2.468 0.000 0.201) 2.476 10.742 ( -6.525 0.000 -12.681) 14.261 10.744 ( -1.274 0.000 -0.278) 1.303 10.860 ( -2.045 0.000 -5.926) 6.269 11.002 ( -9.190 0.000 4.115) 10.069 11.036 ( -0.455 0.000 -1.466) 1.535 11.163 ( 7.886 0.000 -3.174) 8.500 11.325 ( -8.330 0.000 0.406) 8.340 11.634 ( 2.455 0.000 2.448) 3.467 11.826 ( -1.105 0.000 -6.794) 6.883 11.912 ( 4.098 0.000 -0.469) 4.125 11.933 ( 8.693 0.000 0.774) 8.727 12.164 ( 5.256 0.000 3.139) 6.122 12.347 ( 2.409 0.000 -5.435) 5.945 12.421 ( 6.936 0.000 0.745) 6.976 12.462 ( 1.281 0.000 0.134) 1.288 12.606 ( 1.562 0.000 5.650) 5.862 12.714 ( 0.103 0.000 5.327) 5.328 12.764 ( 3.980 0.000 5.728) 6.975 12.951 ( 1.644 0.000 -2.531) 3.018 12.962 ( 1.677 0.000 2.693) 3.173 13.214 ( -1.273 0.000 0.532) 1.379 13.217 ( 2.066 0.000 -1.249) 2.414 13.345 ( -0.417 0.000 -0.510) 0.659 13.411 ( -1.353 0.000 -1.926) 2.354 13.465 ( 3.215 0.000 -0.567) 3.264 13.672 ( 3.011 0.000 0.183) 3.017 13.705 ( 2.471 0.000 -1.085) 2.699 13.879 ( 1.446 0.000 -3.571) 3.852 14.064 ( -0.107 0.000 -0.061) 0.123 14.158 ( 2.798 0.000 2.300) 3.622 14.162 ( -0.805 0.000 3.727) 3.813 14.223 ( 3.813 0.000 0.755) 3.888 14.229 ( -0.477 0.000 -0.523) 0.708 14.368 ( 3.730 0.000 1.521) 4.028 14.847 ( 0.154 0.000 -1.799) 1.806 14.921 ( 0.984 0.000 2.058) 2.281 15.134 ( -2.601 0.000 -1.151) 2.845 15.225 ( -0.149 0.000 -3.430) 3.433 15.343 ( -2.133 0.000 3.194) 3.841 15.454 ( 1.390 0.000 2.073) 2.496 15.525 ( -0.469 0.000 -1.845) 1.903 15.582 ( 1.559 0.000 -5.954) 6.155 ======================= Grid point 4 (5/117) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.005 ( 36.619 0.000 12.474) 38.685 4.056 ( 40.406 0.000 3.344) 40.544 4.474 ( 24.497 0.000 -1.174) 24.525 4.565 ( 20.075 0.000 -3.050) 20.306 5.050 ( 16.981 0.000 -12.551) 21.116 5.206 ( 23.018 0.000 -11.420) 25.695 5.578 ( -13.742 0.000 -23.808) 27.489 5.624 ( 5.867 0.000 -16.956) 17.943 5.684 ( -6.694 0.000 -14.100) 15.609 5.913 ( 19.390 0.000 5.139) 20.060 5.919 ( -1.798 0.000 0.181) 1.807 5.948 ( -2.123 0.000 5.784) 6.161 6.252 ( -4.357 0.000 -4.007) 5.919 6.311 ( 0.434 0.000 -4.023) 4.047 6.325 ( -11.893 0.000 -0.268) 11.896 6.390 ( -1.696 0.000 -8.246) 8.418 6.446 ( -10.342 0.000 1.762) 10.491 6.770 ( -0.049 0.000 -16.915) 16.915 6.780 ( -11.299 0.000 -1.183) 11.360 6.828 ( 7.713 0.000 0.015) 7.713 6.960 ( -13.614 0.000 -1.694) 13.719 7.033 ( 0.831 0.000 9.196) 9.233 7.197 ( -10.651 0.000 11.650) 15.785 7.407 ( 1.396 0.000 7.368) 7.499 7.513 ( -1.656 0.000 5.044) 5.309 7.621 ( 4.282 0.000 8.745) 9.737 7.677 ( -3.059 0.000 5.208) 6.040 7.768 ( -3.078 0.000 15.457) 15.760 7.926 ( -2.488 0.000 4.364) 5.024 8.137 ( -4.107 0.000 4.882) 6.380 8.364 ( 4.347 0.000 -4.684) 6.390 8.531 ( 1.440 0.000 12.187) 12.272 8.677 ( 2.040 0.000 2.296) 3.071 8.764 ( 2.765 0.000 9.599) 9.990 8.958 ( 5.079 0.000 -0.505) 5.104 9.231 ( 0.229 0.000 -6.165) 6.169 9.352 ( -5.146 0.000 1.406) 5.334 9.455 ( -6.952 0.000 6.059) 9.222 9.589 ( -12.311 0.000 4.625) 13.151 9.660 ( -4.688 0.000 4.382) 6.417 9.733 ( -3.746 0.000 2.316) 4.405 9.913 ( 0.249 0.000 -0.799) 0.837 10.079 ( -20.521 0.000 -5.136) 21.154 10.218 ( 3.208 0.000 -4.919) 5.873 10.359 ( -3.027 0.000 2.895) 4.189 10.421 ( -5.374 0.000 -4.348) 6.912 10.505 ( -2.434 0.000 5.238) 5.776 10.523 ( -3.959 0.000 -7.974) 8.903 10.690 ( -1.887 0.000 -4.268) 4.666 10.707 ( -2.419 0.000 0.587) 2.489 10.830 ( 1.108 0.000 -1.983) 2.272 10.957 ( 0.811 0.000 -1.871) 2.039 11.030 ( 0.718 0.000 -2.084) 2.204 11.223 ( -2.032 0.000 -0.605) 2.120 11.315 ( 7.690 0.000 -2.478) 8.080 11.679 ( 1.338 0.000 0.733) 1.526 11.750 ( -2.911 0.000 -4.958) 5.750 12.000 ( 3.984 0.000 -1.673) 4.321 12.100 ( 7.691 0.000 0.527) 7.709 12.260 ( 3.218 0.000 1.933) 3.754 12.370 ( 1.539 0.000 -3.452) 3.779 12.465 ( -0.375 0.000 -1.259) 1.313 12.578 ( 8.163 0.000 2.241) 8.465 12.634 ( -0.454 0.000 2.418) 2.461 12.761 ( 1.017 0.000 8.041) 8.106 12.866 ( 4.275 0.000 3.072) 5.264 12.969 ( 0.735 0.000 -1.704) 1.856 12.993 ( 0.877 0.000 1.789) 1.992 13.165 ( -3.596 0.000 -0.643) 3.653 13.258 ( 2.204 0.000 -0.662) 2.301 13.329 ( -1.188 0.000 0.939) 1.514 13.383 ( -0.435 0.000 -2.982) 3.014 13.535 ( 3.703 0.000 0.821) 3.793 13.717 ( 1.118 0.000 -0.497) 1.224 13.741 ( 1.258 0.000 0.316) 1.297 13.874 ( -0.353 0.000 -2.883) 2.905 14.047 ( -0.491 0.000 -3.122) 3.161 14.138 ( -2.749 0.000 6.880) 7.409 14.217 ( 2.206 0.000 1.326) 2.574 14.257 ( 2.419 0.000 -1.937) 3.099 14.283 ( 1.836 0.000 1.316) 2.259 14.442 ( 3.020 0.000 0.301) 3.035 14.835 ( -0.594 0.000 -1.060) 1.215 14.947 ( 0.808 0.000 2.102) 2.252 15.085 ( -1.651 0.000 -1.957) 2.560 15.205 ( -0.637 0.000 -2.346) 2.431 15.320 ( -1.281 0.000 2.284) 2.618 15.498 ( 2.100 0.000 1.709) 2.708 15.516 ( 0.046 0.000 -1.308) 1.309 15.587 ( 0.919 0.000 -4.741) 4.829 ======================= Grid point 5 (6/117) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.677 ( 23.760 0.000 12.777) 26.978 4.784 ( 29.791 0.000 3.544) 30.001 4.918 ( 14.281 0.000 -0.687) 14.298 4.924 ( 16.974 0.000 0.446) 16.980 5.214 ( 2.500 0.000 -4.749) 5.367 5.230 ( -13.431 0.000 -17.686) 22.207 5.403 ( -5.164 0.000 -7.738) 9.303 5.472 ( -14.370 0.000 -13.072) 19.427 5.601 ( 8.352 0.000 -4.066) 9.290 5.822 ( -12.989 0.000 1.755) 13.107 5.942 ( 1.519 0.000 -1.494) 2.130 5.982 ( 10.347 0.000 5.276) 11.614 6.159 ( -3.511 0.000 -3.480) 4.944 6.194 ( 0.161 0.000 2.292) 2.298 6.254 ( -6.834 0.000 7.128) 9.875 6.318 ( -3.058 0.000 -9.982) 10.440 6.381 ( -1.015 0.000 -6.372) 6.452 6.511 ( -12.404 0.000 2.125) 12.585 6.573 ( -6.530 0.000 -0.710) 6.568 6.677 ( -10.546 0.000 0.286) 10.550 7.055 ( 3.413 0.000 -0.490) 3.448 7.128 ( -1.773 0.000 3.676) 4.081 7.369 ( 8.465 0.000 2.162) 8.737 7.492 ( 6.489 0.000 3.752) 7.496 7.493 ( -0.843 0.000 1.561) 1.774 7.656 ( -0.992 0.000 2.356) 2.556 7.810 ( 1.504 0.000 6.142) 6.323 7.888 ( 30.191 0.000 7.124) 31.020 7.898 ( -1.249 0.000 1.441) 1.907 8.086 ( -1.625 0.000 2.941) 3.360 8.449 ( 4.170 0.000 -2.020) 4.634 8.500 ( -10.867 0.000 4.084) 11.609 8.681 ( -1.627 0.000 1.315) 2.092 8.864 ( -8.349 0.000 1.955) 8.575 9.016 ( -13.143 0.000 -1.617) 13.242 9.032 ( 1.477 0.000 -0.418) 1.535 9.311 ( 0.417 0.000 4.492) 4.511 9.313 ( 0.575 0.000 1.180) 1.313 9.403 ( -4.936 0.000 -5.602) 7.466 9.603 ( -2.341 0.000 2.435) 3.378 9.668 ( -2.288 0.000 1.250) 2.607 9.860 ( -2.492 0.000 0.677) 2.582 9.918 ( 0.258 0.000 -0.082) 0.271 10.251 ( -4.979 0.000 -0.547) 5.009 10.252 ( 1.424 0.000 -1.943) 2.409 10.315 ( -2.879 0.000 -2.746) 3.978 10.490 ( -0.716 0.000 2.269) 2.380 10.516 ( 2.582 0.000 -1.492) 2.982 10.609 ( -3.522 0.000 -2.246) 4.177 10.664 ( -1.511 0.000 0.126) 1.516 10.864 ( 1.458 0.000 0.048) 1.458 10.967 ( 0.563 0.000 -1.509) 1.610 11.041 ( 0.627 0.000 -0.746) 0.975 11.213 ( 0.331 0.000 -0.254) 0.417 11.423 ( 3.389 0.000 -1.109) 3.566 11.689 ( -1.430 0.000 -1.874) 2.357 11.693 ( 0.035 0.000 0.264) 0.266 12.048 ( 1.313 0.000 -0.813) 1.544 12.230 ( 4.368 0.000 0.774) 4.436 12.301 ( 0.468 0.000 -0.181) 0.502 12.379 ( 0.446 0.000 -1.194) 1.275 12.454 ( -0.056 0.000 -0.812) 0.814 12.622 ( -1.111 0.000 1.620) 1.964 12.742 ( 6.088 0.000 2.165) 6.461 12.787 ( -0.296 0.000 2.388) 2.407 12.931 ( -0.020 0.000 -2.073) 2.073 12.980 ( 2.439 0.000 2.501) 3.493 13.019 ( 0.827 0.000 1.243) 1.493 13.074 ( -4.629 0.000 -1.535) 4.877 13.289 ( 0.893 0.000 -0.230) 0.922 13.311 ( -0.675 0.000 0.402) 0.786 13.371 ( 0.017 0.000 -1.193) 1.194 13.613 ( 3.374 0.000 1.534) 3.706 13.701 ( -1.960 0.000 -1.604) 2.532 13.758 ( 0.358 0.000 0.325) 0.484 13.855 ( -0.450 0.000 -1.092) 1.181 14.044 ( 1.030 0.000 -1.577) 1.884 14.110 ( -1.945 0.000 3.126) 3.682 14.251 ( 0.814 0.000 0.417) 0.914 14.287 ( 0.954 0.000 -0.789) 1.238 14.309 ( 0.477 0.000 0.588) 0.757 14.483 ( 1.019 0.000 -0.024) 1.020 14.823 ( -0.297 0.000 -0.258) 0.394 14.971 ( 0.759 0.000 1.258) 1.469 15.053 ( -0.814 0.000 -1.300) 1.534 15.187 ( -0.363 0.000 -0.819) 0.896 15.310 ( -0.401 0.000 0.781) 0.878 15.514 ( 0.081 0.000 -0.477) 0.484 15.543 ( 1.534 0.000 1.671) 2.268 15.578 ( -0.265 0.000 -2.815) 2.828 ======================= Grid point 11 (7/117) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 52.957 0.000) 52.957 1.129 ( 0.000 60.398 0.000) 60.398 1.482 ( 0.000 79.251 0.000) 79.251 2.888 ( 0.000 -48.201 0.000) 48.201 3.242 ( 0.000 -51.981 0.000) 51.981 4.361 ( 0.000 -72.917 0.000) 72.917 4.571 ( 0.000 41.754 0.000) 41.754 4.911 ( 0.000 36.342 0.000) 36.342 5.692 ( 0.000 -8.132 0.000) 8.132 5.946 ( 0.000 -24.360 0.000) 24.360 6.059 ( 0.000 -2.916 0.000) 2.916 6.091 ( 0.000 -7.603 0.000) 7.603 6.431 ( 0.000 6.562 0.000) 6.562 6.621 ( 0.000 15.117 0.000) 15.117 6.663 ( 0.000 2.193 0.000) 2.193 6.730 ( 0.000 5.002 0.000) 5.002 6.862 ( 0.000 -6.267 0.000) 6.267 6.928 ( 0.000 18.695 0.000) 18.695 7.048 ( 0.000 5.886 0.000) 5.886 7.081 ( 0.000 0.597 0.000) 0.597 7.178 ( 0.000 8.360 0.000) 8.360 7.211 ( 0.000 -1.247 0.000) 1.247 7.386 ( 0.000 -3.908 0.000) 3.908 7.534 ( 0.000 7.769 0.000) 7.769 7.667 ( 0.000 4.412 0.000) 4.412 7.897 ( 0.000 16.254 0.000) 16.254 8.162 ( 0.000 -6.799 0.000) 6.799 8.275 ( 0.000 2.246 0.000) 2.246 8.299 ( 0.000 -4.592 0.000) 4.592 8.369 ( 0.000 9.958 0.000) 9.958 8.539 ( 0.000 -5.831 0.000) 5.831 8.598 ( 0.000 -10.346 0.000) 10.346 8.668 ( 0.000 -13.922 0.000) 13.922 8.824 ( 0.000 -10.614 0.000) 10.614 9.036 ( 0.000 5.422 0.000) 5.422 9.094 ( 0.000 -2.362 0.000) 2.362 9.569 ( 0.000 1.006 0.000) 1.006 9.672 ( 0.000 -5.907 0.000) 5.907 9.761 ( 0.000 -1.233 0.000) 1.233 9.798 ( 0.000 -5.539 0.000) 5.539 9.898 ( 0.000 0.740 0.000) 0.740 9.928 ( 0.000 0.673 0.000) 0.673 10.164 ( 0.000 4.665 0.000) 4.665 10.243 ( 0.000 7.169 0.000) 7.169 10.254 ( 0.000 -1.395 0.000) 1.395 10.391 ( 0.000 0.515 0.000) 0.515 10.583 ( 0.000 -2.727 0.000) 2.727 10.589 ( 0.000 -3.588 0.000) 3.588 10.803 ( 0.000 5.829 0.000) 5.829 10.875 ( 0.000 7.167 0.000) 7.167 10.949 ( 0.000 -1.584 0.000) 1.584 11.179 ( 0.000 2.502 0.000) 2.502 11.191 ( 0.000 -8.232 0.000) 8.232 11.272 ( 0.000 -0.639 0.000) 0.639 11.474 ( 0.000 -1.499 0.000) 1.499 11.537 ( 0.000 -3.424 0.000) 3.424 11.683 ( 0.000 5.246 0.000) 5.246 11.690 ( 0.000 3.204 0.000) 3.204 11.946 ( 0.000 1.886 0.000) 1.886 12.059 ( 0.000 -2.804 0.000) 2.804 12.220 ( 0.000 3.570 0.000) 3.570 12.301 ( 0.000 0.314 0.000) 0.314 12.383 ( 0.000 -1.345 0.000) 1.345 12.436 ( 0.000 -5.155 0.000) 5.155 12.664 ( 0.000 1.436 0.000) 1.436 12.689 ( 0.000 1.431 0.000) 1.431 12.879 ( 0.000 1.741 0.000) 1.741 12.943 ( 0.000 -0.549 0.000) 0.549 13.141 ( 0.000 0.435 0.000) 0.435 13.186 ( 0.000 -2.294 0.000) 2.294 13.312 ( 0.000 4.698 0.000) 4.698 13.428 ( 0.000 1.363 0.000) 1.363 13.494 ( 0.000 -2.211 0.000) 2.211 13.524 ( 0.000 -3.107 0.000) 3.107 13.549 ( 0.000 4.760 0.000) 4.760 13.736 ( 0.000 -3.200 0.000) 3.200 13.949 ( 0.000 -2.813 0.000) 2.813 13.983 ( 0.000 -4.615 0.000) 4.615 14.017 ( 0.000 0.794 0.000) 0.794 14.106 ( 0.000 -0.703 0.000) 0.703 14.313 ( 0.000 4.675 0.000) 4.675 14.378 ( 0.000 0.654 0.000) 0.654 14.809 ( 0.000 0.474 0.000) 0.474 14.837 ( 0.000 -0.752 0.000) 0.752 15.238 ( 0.000 1.290 0.000) 1.290 15.251 ( 0.000 0.835 0.000) 0.835 15.405 ( 0.000 -0.603 0.000) 0.603 15.412 ( 0.000 -1.057 0.000) 1.057 15.588 ( 0.000 -0.025 0.000) 0.025 15.592 ( 0.000 -0.148 0.000) 0.148 ======================= Grid point 12 (8/117) ======================= q-point: ( 0.09 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 32.297 30.449 2.524) 44.459 1.501 ( 41.118 35.609 -3.614) 54.513 2.398 ( 58.232 57.845 21.285) 84.794 2.956 ( 4.058 -47.640 0.301) 47.813 3.236 ( 9.866 -50.181 -12.086) 52.551 4.605 ( 3.456 39.723 -1.978) 39.922 4.740 ( 29.097 -60.431 11.949) 68.128 4.920 ( 3.053 36.014 -2.832) 36.254 5.752 ( 5.746 -9.486 -0.556) 11.105 5.850 ( -6.384 -15.142 -4.820) 17.125 6.059 ( 1.290 -1.892 -3.427) 4.122 6.140 ( 2.823 -15.977 -4.784) 16.915 6.344 ( -5.104 6.412 -7.644) 11.207 6.535 ( -4.424 0.023 -18.810) 19.323 6.613 ( -1.121 9.487 -5.597) 11.072 6.682 ( -5.453 1.476 -6.781) 8.826 6.814 ( -3.166 -3.041 3.258) 5.467 6.910 ( -4.555 2.371 -2.346) 5.645 6.998 ( -0.489 18.298 7.335) 19.720 7.150 ( -1.546 6.875 -6.867) 9.839 7.193 ( 5.556 12.367 8.057) 15.771 7.266 ( 0.977 0.153 9.682) 9.732 7.412 ( 1.736 -5.089 5.837) 7.936 7.553 ( 1.359 5.227 0.719) 5.449 7.633 ( -3.793 5.298 2.507) 6.981 7.846 ( -6.211 7.543 -0.157) 9.773 8.051 ( -9.085 -4.166 0.324) 10.000 8.211 ( -7.607 5.805 5.549) 11.062 8.269 ( -4.156 -8.442 -2.027) 9.626 8.326 ( -1.088 1.124 -2.119) 2.634 8.429 ( -7.685 -1.303 5.739) 9.680 8.575 ( -7.881 -0.296 -0.883) 7.936 8.684 ( 3.541 -2.966 -4.446) 6.412 8.817 ( -1.208 -8.957 2.624) 9.412 8.989 ( -3.809 0.342 -0.358) 3.841 9.082 ( -0.783 -9.444 0.887) 9.517 9.558 ( -3.405 1.265 7.023) 7.907 9.666 ( 0.769 -2.780 -4.495) 5.341 9.708 ( -2.041 -0.145 -2.694) 3.383 9.770 ( 0.014 -5.084 -0.418) 5.101 9.892 ( -1.009 2.273 6.254) 6.730 9.981 ( -0.933 -1.388 3.091) 3.514 10.175 ( 6.283 7.594 -9.772) 13.880 10.218 ( -0.348 4.843 -2.979) 5.696 10.424 ( 1.884 -3.857 5.164) 6.716 10.505 ( 11.431 -13.566 -11.100) 20.927 10.568 ( 0.844 -2.591 -2.462) 3.672 10.606 ( -0.371 -1.993 3.385) 3.945 10.803 ( 0.314 5.408 -2.155) 5.830 10.859 ( -2.023 5.691 3.609) 7.036 10.945 ( 0.049 -1.647 -4.021) 4.346 11.038 ( -4.156 -0.132 -1.117) 4.306 11.207 ( -3.209 2.159 1.404) 4.114 11.370 ( 2.938 -5.263 8.443) 10.373 11.467 ( -2.403 1.475 0.961) 2.979 11.603 ( 5.141 -2.596 -1.484) 5.948 11.658 ( 1.686 0.589 2.848) 3.362 11.740 ( -0.286 0.682 0.210) 0.769 11.930 ( -0.135 5.260 -0.753) 5.315 12.049 ( -0.485 -0.788 2.132) 2.324 12.238 ( 2.270 2.846 -0.110) 3.642 12.338 ( 0.943 -0.374 -1.666) 1.950 12.374 ( 2.153 0.705 -3.689) 4.329 12.480 ( 1.715 -5.542 6.490) 8.705 12.600 ( -3.130 3.664 2.571) 5.462 12.695 ( -0.181 -0.111 3.358) 3.364 12.880 ( 0.878 2.396 1.665) 3.047 12.941 ( 0.041 -0.114 -1.964) 1.968 13.163 ( 1.686 -0.323 0.879) 1.928 13.203 ( 0.032 -1.485 -0.361) 1.529 13.352 ( 2.280 2.358 -0.114) 3.282 13.430 ( 0.835 2.075 -1.619) 2.761 13.479 ( -1.229 -1.941 0.317) 2.320 13.542 ( 2.174 -2.224 -0.637) 3.174 13.614 ( 3.265 1.745 0.131) 3.704 13.757 ( 3.326 -0.563 1.096) 3.547 13.941 ( -0.846 -6.631 2.384) 7.097 13.987 ( 0.701 -5.574 0.727) 5.665 14.052 ( 3.900 2.475 -1.535) 4.867 14.125 ( 1.691 -0.177 -1.231) 2.099 14.312 ( -0.020 4.130 1.011) 4.252 14.360 ( -1.875 1.209 1.319) 2.592 14.823 ( 1.398 0.635 -0.609) 1.652 14.854 ( 1.306 -0.912 0.055) 1.594 15.233 ( -1.144 0.711 -0.034) 1.347 15.240 ( -0.228 0.421 -2.012) 2.068 15.396 ( -0.794 -0.100 1.203) 1.445 15.416 ( -0.076 -0.712 1.440) 1.608 15.577 ( -0.607 -0.068 -1.848) 1.946 15.583 ( -0.153 -0.094 -2.564) 2.570 ======================= Grid point 13 (9/117) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 47.976 3.884 8.875) 48.945 2.399 ( 47.370 19.842 -1.028) 51.368 3.115 ( 15.783 -40.769 -2.106) 43.768 3.589 ( 26.944 -39.358 -10.417) 48.822 3.709 ( 62.861 40.063 20.102) 77.205 4.660 ( 3.469 38.550 -2.790) 38.806 5.046 ( 12.037 34.851 -6.791) 37.491 5.434 ( 31.034 -42.758 9.910) 53.755 5.711 ( -3.700 -11.852 -5.708) 13.666 5.862 ( 3.604 -10.776 -4.738) 12.311 6.067 ( 3.127 -0.003 -9.679) 10.171 6.119 ( -2.974 -15.915 -9.723) 18.886 6.211 ( -4.116 2.579 -7.846) 9.228 6.393 ( -1.400 -3.274 -18.579) 18.917 6.487 ( -8.049 2.967 -2.936) 9.067 6.578 ( -1.036 -3.233 -9.623) 10.204 6.723 ( -6.743 1.782 -1.019) 7.048 6.819 ( -2.185 -3.397 -10.915) 11.638 6.965 ( -5.196 15.051 2.460) 16.112 7.105 ( -1.864 11.094 -3.134) 11.677 7.249 ( -5.245 6.875 3.129) 9.196 7.270 ( -3.614 -1.634 6.090) 7.268 7.474 ( -7.482 -0.137 -0.887) 7.535 7.489 ( -1.040 -5.385 9.286) 10.784 7.632 ( 2.806 9.956 7.854) 12.987 7.731 ( -4.959 -1.083 11.946) 12.980 7.802 ( -14.863 -1.985 6.945) 16.525 8.049 ( -10.991 7.903 6.562) 15.044 8.137 ( -8.367 -6.664 -3.684) 11.313 8.258 ( -5.068 0.398 -4.940) 7.089 8.333 ( -4.564 -0.977 -3.367) 5.755 8.420 ( -7.224 4.973 14.560) 16.997 8.697 ( 0.559 6.576 0.319) 6.607 8.796 ( -0.029 -4.992 -0.819) 5.059 8.926 ( -2.879 -4.522 4.176) 6.796 9.117 ( 3.470 -8.506 3.511) 9.834 9.509 ( -3.996 0.501 6.769) 7.876 9.610 ( -3.323 -0.028 -1.767) 3.763 9.715 ( 0.292 -0.529 -0.857) 1.048 9.785 ( 0.296 -2.248 3.324) 4.023 9.872 ( -3.730 1.438 3.698) 5.446 9.937 ( -2.731 -0.260 1.702) 3.229 10.199 ( 1.674 4.457 -6.373) 7.955 10.293 ( 5.755 4.668 -5.625) 9.304 10.451 ( 0.273 -6.424 1.993) 6.732 10.528 ( -3.125 0.051 0.085) 3.127 10.604 ( -1.267 -1.649 0.896) 2.264 10.641 ( 5.984 -11.540 -11.833) 17.579 10.791 ( -0.480 3.400 -3.935) 5.223 10.829 ( -3.014 4.551 5.014) 7.412 10.910 ( -1.542 -1.711 -6.526) 6.921 10.989 ( -1.653 -3.167 1.777) 3.990 11.140 ( -3.645 5.238 0.773) 6.428 11.364 ( -7.341 6.451 2.124) 10.001 11.402 ( -3.176 -5.841 4.755) 8.174 11.629 ( -5.954 -1.721 0.817) 6.251 11.736 ( 7.975 -0.746 -0.200) 8.012 11.765 ( 5.529 -0.359 -1.265) 5.683 11.948 ( 1.621 3.907 -2.070) 4.710 12.082 ( 2.823 1.482 2.493) 4.047 12.307 ( 4.307 1.407 -0.436) 4.552 12.344 ( 2.078 2.279 -4.041) 5.083 12.421 ( 2.479 0.176 -0.025) 2.486 12.544 ( 2.027 -4.332 8.279) 9.561 12.596 ( 0.962 -0.236 2.624) 2.805 12.709 ( 0.084 -1.843 5.076) 5.401 12.915 ( 1.514 1.139 0.811) 2.061 12.945 ( 1.668 0.439 -2.734) 3.233 13.191 ( 0.510 -0.790 -0.260) 0.975 13.203 ( 0.681 -0.375 -0.476) 0.912 13.379 ( 0.791 2.320 -0.982) 2.641 13.451 ( -1.324 -0.283 -0.500) 1.444 13.464 ( 2.711 4.316 -0.299) 5.106 13.594 ( 2.968 -1.817 0.053) 3.480 13.667 ( 2.973 2.481 -1.977) 4.347 13.843 ( 3.538 1.121 -1.194) 3.899 13.951 ( 0.781 -8.949 4.641) 10.111 14.018 ( 1.870 -6.432 0.101) 6.700 14.139 ( 5.000 1.303 -2.224) 5.626 14.161 ( 2.414 0.824 -0.692) 2.643 14.313 ( -1.453 3.153 2.452) 4.250 14.341 ( 0.378 2.393 2.939) 3.809 14.850 ( 1.435 0.917 -1.367) 2.183 14.884 ( 1.468 -0.692 0.848) 1.831 15.192 ( -2.543 0.396 -0.414) 2.607 15.225 ( -0.462 -0.989 -3.038) 3.228 15.382 ( -1.483 0.816 2.851) 3.316 15.422 ( -0.059 -0.810 2.460) 2.590 15.554 ( -0.626 0.423 -2.811) 2.911 15.574 ( 0.947 -0.407 -5.231) 5.331 ======================= Grid point 14 (10/117) ======================= q-point: ( 0.27 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 45.554 -0.768 8.875) 46.417 3.324 ( 44.829 11.957 1.193) 46.412 3.577 ( 29.952 -24.963 -0.952) 39.003 4.142 ( 31.474 -29.166 -9.934) 44.045 4.740 ( 8.072 32.224 -3.255) 33.379 5.008 ( 56.189 22.571 15.444) 62.492 5.294 ( 14.064 26.162 -8.292) 30.838 5.598 ( 0.941 -1.638 -8.928) 9.126 5.775 ( -3.428 -7.546 -12.613) 15.093 5.883 ( -9.368 -8.801 -12.687) 18.060 6.032 ( 6.553 -6.484 -5.648) 10.811 6.062 ( 1.033 -5.041 -7.522) 9.114 6.214 ( 2.403 -1.061 -4.596) 5.294 6.322 ( 1.152 -8.393 -8.652) 12.109 6.378 ( 0.675 -6.173 -10.143) 11.893 6.515 ( -3.021 -4.116 1.835) 5.425 6.588 ( -3.110 1.046 -11.223) 11.693 6.720 ( -2.409 -8.184 -14.534) 16.853 6.845 ( -6.474 10.634 0.658) 12.467 6.956 ( -14.186 1.362 4.181) 14.852 7.061 ( -9.246 -2.475 0.081) 9.572 7.175 ( -7.260 -6.233 5.508) 11.041 7.328 ( -5.539 3.243 4.217) 7.679 7.445 ( -11.068 -2.628 5.620) 12.688 7.546 ( -7.456 1.428 2.883) 8.120 7.694 ( -0.087 10.702 12.933) 16.787 7.766 ( -3.864 0.056 9.509) 10.264 7.919 ( -4.630 -3.485 1.076) 5.895 7.947 ( -7.970 7.883 18.628) 21.741 8.115 ( -5.792 -3.581 -1.085) 6.896 8.265 ( -2.730 -5.598 8.647) 10.657 8.348 ( -2.087 -2.053 -0.441) 2.960 8.741 ( 0.386 3.763 3.303) 5.022 8.863 ( 5.230 10.122 5.206) 12.526 8.904 ( 0.434 -0.359 2.825) 2.880 9.196 ( 2.263 -2.479 0.368) 3.377 9.444 ( -5.112 -0.400 4.422) 6.770 9.550 ( -3.180 -0.002 5.428) 6.291 9.674 ( -4.100 -1.735 1.126) 4.592 9.772 ( -4.990 -1.852 -0.335) 5.333 9.789 ( -3.390 2.596 6.867) 8.086 9.904 ( -1.948 -1.409 3.291) 4.075 10.224 ( 3.227 4.432 -7.050) 8.931 10.337 ( 0.021 1.061 -2.341) 2.570 10.426 ( -7.869 -0.080 -2.653) 8.304 10.458 ( -0.290 -5.788 0.732) 5.841 10.554 ( -3.526 -0.895 -2.691) 4.525 10.637 ( -3.633 -8.599 -9.339) 13.205 10.747 ( -2.866 2.108 -1.512) 3.865 10.777 ( -2.842 4.311 2.055) 5.557 10.838 ( -2.196 -2.086 -5.920) 6.650 10.947 ( -3.064 -3.702 1.510) 5.037 11.082 ( -1.792 4.181 -1.194) 4.703 11.227 ( -4.964 0.198 -0.549) 4.998 11.344 ( -0.270 5.349 -0.140) 5.358 11.594 ( 0.958 -4.384 0.804) 4.559 11.836 ( 1.543 1.105 -4.892) 5.248 11.879 ( 6.137 -1.407 -1.511) 6.475 12.000 ( 5.186 4.829 0.499) 7.104 12.163 ( 3.919 -1.304 2.065) 4.618 12.350 ( 1.938 1.070 -4.464) 4.983 12.432 ( 4.571 0.253 0.312) 4.589 12.461 ( 2.705 0.923 1.046) 3.044 12.628 ( 1.100 0.881 2.919) 3.241 12.640 ( 3.602 -4.486 8.686) 10.419 12.753 ( 2.182 -2.485 6.359) 7.168 12.943 ( 1.743 0.572 -1.487) 2.361 12.980 ( 2.106 0.240 -1.065) 2.372 13.189 ( -0.503 -0.745 -0.970) 1.323 13.215 ( 0.254 -0.886 -0.293) 0.968 13.381 ( -0.140 2.434 -0.948) 2.615 13.425 ( -0.955 1.182 -1.123) 1.890 13.520 ( 2.721 4.934 1.010) 5.725 13.656 ( 2.935 -1.665 0.703) 3.446 13.718 ( 2.680 2.182 -1.353) 3.711 13.869 ( 0.492 -1.138 -2.584) 2.866 14.001 ( 1.940 -5.445 2.151) 6.168 14.044 ( 0.336 -6.199 0.855) 6.266 14.203 ( 2.644 1.192 -1.267) 3.165 14.226 ( 3.553 0.226 -1.345) 3.805 14.304 ( -0.169 5.108 3.848) 6.398 14.384 ( 2.346 0.911 2.380) 3.464 14.863 ( 0.464 1.532 -1.369) 2.106 14.915 ( 1.113 -0.680 1.406) 1.918 15.136 ( -2.507 0.384 -1.461) 2.927 15.198 ( -0.971 -2.396 -3.000) 3.960 15.362 ( -1.575 1.704 3.437) 4.147 15.436 ( 0.377 -1.747 3.221) 3.683 15.537 ( 0.334 1.136 -3.675) 3.861 15.578 ( 1.514 -0.554 -5.708) 5.931 ======================= Grid point 15 (11/117) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.959 ( 38.420 -0.553 7.905) 39.229 4.168 ( 38.369 3.473 2.358) 38.598 4.233 ( 34.450 -7.088 1.093) 35.189 4.718 ( 29.151 -18.587 -9.663) 35.898 4.906 ( 10.249 20.511 -4.613) 23.389 5.408 ( 0.628 1.350 -8.321) 8.453 5.537 ( -11.122 -7.953 -11.604) 17.933 5.641 ( 6.015 15.444 -13.632) 21.460 5.688 ( -5.192 -8.650 -4.394) 11.004 5.944 ( 4.716 9.791 -8.040) 13.518 5.976 ( 9.418 11.180 -2.972) 14.918 6.018 ( -3.711 0.328 -6.247) 7.274 6.164 ( 0.709 -1.581 -2.824) 3.313 6.315 ( 0.822 -0.866 -0.553) 1.316 6.353 ( -1.601 -6.581 -8.206) 10.640 6.429 ( -7.377 0.964 -5.851) 9.464 6.446 ( -7.984 -0.371 -3.047) 8.554 6.616 ( -5.923 -9.556 -9.703) 14.851 6.682 ( -9.430 -5.390 0.500) 10.873 6.887 ( 1.013 -13.839 0.371) 13.881 6.928 ( 2.636 8.133 4.410) 9.619 7.057 ( -3.416 6.029 8.359) 10.858 7.188 ( -8.940 4.342 9.228) 13.562 7.414 ( 7.217 -6.622 5.287) 11.131 7.454 ( -2.770 2.082 0.036) 3.465 7.646 ( -5.170 2.578 7.571) 9.524 7.735 ( -0.400 3.635 6.021) 7.044 7.861 ( -5.233 -11.501 10.906) 16.692 7.948 ( -1.099 12.473 16.111) 20.404 8.033 ( -2.244 -0.220 -1.098) 2.507 8.336 ( 3.742 -9.335 -3.828) 10.761 8.384 ( 6.826 -6.426 12.887) 15.936 8.703 ( -4.715 6.194 4.995) 9.249 8.902 ( 0.545 1.088 -0.054) 1.218 9.010 ( 1.593 7.975 3.807) 8.979 9.190 ( -1.763 -3.366 -4.949) 6.240 9.372 ( -2.397 2.518 4.714) 5.858 9.502 ( -4.697 4.088 4.828) 7.879 9.546 ( -11.099 -3.322 5.199) 12.699 9.676 ( -3.800 0.353 1.892) 4.260 9.744 ( -4.289 1.306 4.310) 6.219 9.873 ( -2.390 -4.086 1.815) 5.069 10.104 ( -16.486 3.285 -5.547) 17.702 10.253 ( 1.766 3.413 -5.869) 7.015 10.339 ( -0.537 -4.021 0.942) 4.164 10.416 ( -5.300 0.968 -2.453) 5.920 10.455 ( -2.752 -4.163 -0.420) 5.008 10.520 ( -2.340 -0.790 -7.017) 7.439 10.689 ( -2.447 0.299 -0.672) 2.555 10.715 ( -3.843 0.095 -1.730) 4.216 10.820 ( 1.691 0.078 -1.118) 2.028 10.928 ( 0.646 -2.988 -1.438) 3.379 11.062 ( 0.304 2.817 -1.899) 3.411 11.171 ( -0.612 -3.296 -1.393) 3.631 11.402 ( 4.750 6.667 -1.186) 8.271 11.619 ( 0.920 -4.584 -0.447) 4.697 11.813 ( -0.992 4.714 -3.661) 6.051 11.968 ( 3.656 -2.996 -2.154) 5.194 12.127 ( 6.302 2.450 0.390) 6.773 12.241 ( 3.009 -2.345 0.854) 3.909 12.367 ( 1.163 0.485 -2.401) 2.712 12.443 ( -0.194 -2.164 -1.817) 2.832 12.598 ( 7.314 2.052 3.421) 8.331 12.650 ( 0.319 0.884 2.489) 2.661 12.747 ( 2.871 -0.401 8.258) 8.752 12.844 ( 4.453 -2.710 5.044) 7.254 12.972 ( 1.587 0.786 -1.507) 2.325 13.005 ( 0.694 0.438 -1.127) 1.394 13.150 ( -3.203 -0.882 -1.139) 3.512 13.205 ( -0.939 -3.006 -1.281) 3.400 13.372 ( -0.348 2.001 0.136) 2.035 13.403 ( -0.755 1.490 -1.612) 2.322 13.582 ( 3.012 4.428 1.636) 5.600 13.705 ( 1.486 -1.003 0.118) 1.796 13.762 ( 2.007 2.092 0.157) 2.903 13.859 ( -0.374 -1.601 -2.304) 2.831 14.015 ( -0.197 -2.791 -2.761) 3.931 14.056 ( 0.115 -5.318 3.796) 6.534 14.241 ( 1.095 1.132 0.914) 1.821 14.275 ( 1.943 -0.280 -0.717) 2.090 14.328 ( 0.978 5.025 1.700) 5.395 14.440 ( 2.252 -0.576 0.624) 2.407 14.860 ( -0.254 2.375 -0.727) 2.497 14.939 ( 0.753 -0.918 1.555) 1.957 15.088 ( -1.538 0.555 -1.982) 2.570 15.167 ( -0.988 -3.134 -2.255) 3.985 15.353 ( -0.672 2.726 2.905) 4.040 15.462 ( 0.815 -2.788 3.078) 4.232 15.537 ( 1.004 1.405 -3.088) 3.538 15.582 ( 0.869 -0.618 -4.819) 4.935 ======================= Grid point 16 (12/117) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.649 ( 26.655 -0.244 8.355) 27.934 4.795 ( 21.884 -5.695 -0.936) 22.632 4.904 ( 25.320 7.623 4.410) 26.808 5.037 ( 3.548 5.945 -5.115) 8.607 5.142 ( 11.432 -2.487 -4.988) 12.718 5.264 ( -2.370 2.114 -7.315) 7.975 5.388 ( -4.813 -6.516 -5.168) 9.609 5.499 ( -13.410 -1.301 -4.911) 14.340 5.584 ( -9.152 -2.092 -3.825) 10.137 5.765 ( -2.102 3.762 3.654) 5.650 5.931 ( -4.530 5.145 -6.929) 9.747 6.042 ( -3.228 0.581 -2.711) 4.255 6.137 ( -0.634 1.693 2.071) 2.749 6.224 ( -4.407 -0.462 -1.256) 4.606 6.287 ( -2.995 1.448 -4.608) 5.683 6.345 ( 0.599 -0.673 -11.008) 11.045 6.378 ( 2.806 -3.554 -1.440) 4.751 6.459 ( -9.539 -8.558 4.011) 13.429 6.517 ( -0.298 -4.632 -3.309) 5.700 6.753 ( -13.129 19.339 8.924) 25.020 6.920 ( 1.501 -17.994 -1.787) 18.145 7.125 ( -1.321 3.944 3.720) 5.580 7.290 ( 3.099 -3.442 -1.405) 4.840 7.478 ( 0.117 2.811 5.691) 6.348 7.606 ( 8.843 0.021 2.234) 9.121 7.719 ( 0.289 7.327 1.433) 7.472 7.788 ( -2.014 -15.239 5.943) 16.481 7.893 ( 17.761 -0.219 4.352) 18.288 7.988 ( 8.935 2.053 4.414) 10.175 8.042 ( 2.005 16.572 2.931) 16.948 8.386 ( 2.414 -7.114 -1.753) 7.715 8.504 ( -6.908 0.008 5.590) 8.886 8.674 ( -1.371 -2.331 3.442) 4.377 8.837 ( -12.346 -6.683 -1.419) 14.110 8.946 ( 1.443 2.694 2.531) 3.968 9.082 ( -5.950 -3.258 -7.516) 10.125 9.280 ( -8.017 5.504 1.362) 9.819 9.362 ( -1.744 1.188 2.309) 3.129 9.490 ( 0.694 6.038 2.120) 6.437 9.625 ( -1.961 1.371 1.604) 2.881 9.661 ( -2.908 -0.602 -0.101) 2.972 9.829 ( -2.023 -8.707 0.094) 8.939 9.930 ( -1.420 8.125 0.631) 8.273 10.233 ( -1.292 3.312 -2.432) 4.307 10.333 ( -0.625 -1.337 0.132) 1.481 10.365 ( 0.198 3.664 0.271) 3.679 10.379 ( -2.337 -4.734 -1.498) 5.487 10.495 ( 0.329 -3.415 -3.241) 4.720 10.630 ( -2.151 1.281 -0.808) 2.630 10.660 ( -1.278 -0.509 0.234) 1.396 10.853 ( 1.161 -0.432 -0.036) 1.240 10.936 ( 0.463 -3.117 -1.091) 3.334 11.068 ( 0.520 2.456 -0.784) 2.630 11.173 ( 0.570 -3.174 -0.534) 3.269 11.477 ( 2.402 4.507 -0.663) 5.150 11.622 ( -0.158 -3.306 -0.511) 3.349 11.788 ( -0.483 5.994 -1.071) 6.108 12.009 ( 1.201 -4.136 -0.900) 4.400 12.230 ( 3.449 0.144 0.435) 3.479 12.275 ( 0.259 -2.288 -0.822) 2.445 12.377 ( 0.467 0.557 -0.421) 0.841 12.437 ( 0.118 -1.645 -0.616) 1.760 12.662 ( 0.000 3.041 1.594) 3.434 12.730 ( 3.142 -0.938 2.048) 3.866 12.825 ( 3.406 3.487 3.708) 6.124 12.953 ( 4.189 -0.264 2.024) 4.660 12.967 ( -1.480 1.005 -1.533) 2.356 13.015 ( 0.736 -0.504 0.398) 0.977 13.059 ( -4.797 -1.151 -1.580) 5.180 13.176 ( -1.007 -6.343 -1.152) 6.525 13.372 ( 0.061 0.923 0.695) 1.157 13.385 ( -0.367 1.552 -1.138) 1.959 13.649 ( 2.660 3.390 1.731) 4.644 13.708 ( -0.907 0.825 -1.172) 1.696 13.793 ( 0.772 2.907 0.386) 3.032 13.843 ( -0.308 -1.109 -1.011) 1.532 14.002 ( -0.045 -3.162 -0.877) 3.282 14.066 ( -0.146 -3.889 1.313) 4.107 14.255 ( 0.131 0.710 0.623) 0.954 14.298 ( 0.532 -1.007 0.098) 1.143 14.346 ( 0.464 4.626 -0.022) 4.649 14.471 ( 0.781 -1.405 -0.020) 1.608 14.853 ( -0.165 2.948 -0.137) 2.955 14.958 ( 0.488 -1.504 0.853) 1.796 15.060 ( -0.591 0.896 -1.085) 1.526 15.145 ( -0.424 -3.307 -0.844) 3.440 15.355 ( -0.102 3.730 1.178) 3.913 15.486 ( 0.465 -2.625 1.298) 2.965 15.550 ( 0.909 0.470 -0.343) 1.079 15.572 ( -0.183 -0.566 -2.832) 2.894 ======================= Grid point 22 (13/117) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.000 -50.100 0.000) 50.100 1.944 ( 0.000 50.100 0.000) 50.100 2.212 ( 0.000 -55.711 0.000) 55.711 2.212 ( 0.000 55.711 0.000) 55.711 2.976 ( 0.000 -74.931 0.000) 74.931 2.976 ( 0.000 74.931 0.000) 74.931 5.294 ( 0.000 -35.576 0.000) 35.576 5.294 ( 0.000 35.576 0.000) 35.576 5.469 ( 0.000 -23.962 0.000) 23.962 5.469 ( 0.000 23.962 0.000) 23.962 6.029 ( 0.000 -0.506 0.000) 0.506 6.029 ( 0.000 0.506 0.000) 0.506 6.572 ( 0.000 -7.357 0.000) 7.357 6.572 ( 0.000 7.357 0.000) 7.357 6.762 ( 0.000 -4.399 0.000) 4.399 6.762 ( 0.000 4.399 0.000) 4.399 6.854 ( 0.000 -8.068 0.000) 8.068 6.854 ( 0.000 8.068 0.000) 8.068 7.072 ( 0.000 -0.097 0.000) 0.097 7.072 ( 0.000 0.097 0.000) 0.097 7.305 ( 0.000 -5.425 0.000) 5.425 7.305 ( 0.000 5.425 0.000) 5.425 7.631 ( 0.000 -10.892 0.000) 10.892 7.631 ( 0.000 10.892 0.000) 10.892 7.873 ( 0.000 -27.827 0.000) 27.827 7.873 ( 0.000 27.827 0.000) 27.827 8.225 ( 0.000 -20.244 0.000) 20.244 8.225 ( 0.000 20.244 0.000) 20.244 8.288 ( 0.000 -0.638 0.000) 0.638 8.288 ( 0.000 0.638 0.000) 0.638 8.486 ( 0.000 -1.424 0.000) 1.424 8.486 ( 0.000 1.424 0.000) 1.424 8.584 ( 0.000 -12.521 0.000) 12.521 8.584 ( 0.000 12.521 0.000) 12.521 9.093 ( 0.000 -0.567 0.000) 0.567 9.093 ( 0.000 0.567 0.000) 0.567 9.606 ( 0.000 -2.812 0.000) 2.812 9.606 ( 0.000 2.812 0.000) 2.812 9.741 ( 0.000 -0.096 0.000) 0.096 9.741 ( 0.000 0.096 0.000) 0.096 9.919 ( 0.000 -1.203 0.000) 1.203 9.919 ( 0.000 1.203 0.000) 1.203 10.219 ( 0.000 -2.332 0.000) 2.332 10.219 ( 0.000 2.332 0.000) 2.332 10.365 ( 0.000 -4.310 0.000) 4.310 10.365 ( 0.000 4.310 0.000) 4.310 10.549 ( 0.000 -0.194 0.000) 0.194 10.549 ( 0.000 0.194 0.000) 0.194 10.899 ( 0.000 -4.034 0.000) 4.034 10.899 ( 0.000 4.034 0.000) 4.034 11.025 ( 0.000 -8.889 0.000) 8.889 11.025 ( 0.000 8.889 0.000) 8.889 11.237 ( 0.000 -3.108 0.000) 3.108 11.237 ( 0.000 3.108 0.000) 3.108 11.482 ( 0.000 -2.105 0.000) 2.105 11.482 ( 0.000 2.105 0.000) 2.105 11.728 ( 0.000 -0.322 0.000) 0.322 11.728 ( 0.000 0.322 0.000) 0.322 11.999 ( 0.000 -3.489 0.000) 3.489 11.999 ( 0.000 3.489 0.000) 3.489 12.288 ( 0.000 -2.820 0.000) 2.820 12.288 ( 0.000 2.820 0.000) 2.820 12.367 ( 0.000 -0.817 0.000) 0.817 12.367 ( 0.000 0.817 0.000) 0.817 12.691 ( 0.000 -1.052 0.000) 1.052 12.691 ( 0.000 1.052 0.000) 1.052 12.917 ( 0.000 -2.087 0.000) 2.087 12.917 ( 0.000 2.087 0.000) 2.087 13.155 ( 0.000 -1.147 0.000) 1.147 13.155 ( 0.000 1.147 0.000) 1.147 13.415 ( 0.000 -6.041 0.000) 6.041 13.415 ( 0.000 6.041 0.000) 6.041 13.465 ( 0.000 -2.521 0.000) 2.521 13.465 ( 0.000 2.521 0.000) 2.521 13.655 ( 0.000 -5.881 0.000) 5.881 13.655 ( 0.000 5.881 0.000) 5.881 13.915 ( 0.000 -1.596 0.000) 1.596 13.915 ( 0.000 1.596 0.000) 1.596 14.071 ( 0.000 -2.918 0.000) 2.918 14.071 ( 0.000 2.918 0.000) 2.918 14.373 ( 0.000 -1.613 0.000) 1.613 14.373 ( 0.000 1.613 0.000) 1.613 14.822 ( 0.000 -0.815 0.000) 0.815 14.822 ( 0.000 0.815 0.000) 0.815 15.258 ( 0.000 -0.473 0.000) 0.473 15.258 ( 0.000 0.473 0.000) 0.473 15.398 ( 0.000 -0.140 0.000) 0.140 15.398 ( 0.000 0.140 0.000) 0.140 15.589 ( 0.000 -0.132 0.000) 0.132 15.589 ( 0.000 0.132 0.000) 0.132 ======================= Grid point 24 (14/117) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 7.457 -42.654 -0.609) 43.305 2.012 ( 7.457 42.654 -0.609) 43.305 2.321 ( 23.316 -39.966 -11.020) 47.565 2.321 ( 23.316 39.966 -11.020) 47.565 3.559 ( 42.096 -64.102 18.531) 78.896 3.559 ( 42.096 64.102 18.531) 78.896 5.316 ( 1.993 -35.094 -3.292) 35.304 5.316 ( 1.993 35.094 -3.292) 35.304 5.484 ( 2.341 -23.119 -0.152) 23.238 5.484 ( 2.341 23.119 -0.152) 23.238 6.026 ( 0.171 -1.074 -3.418) 3.586 6.026 ( 0.171 1.074 -3.418) 3.586 6.474 ( -5.519 -6.822 -12.338) 15.140 6.474 ( -5.519 6.822 -12.338) 15.140 6.670 ( -4.298 -1.440 -15.365) 16.019 6.670 ( -4.298 1.440 -15.365) 16.019 6.833 ( -3.257 -4.857 4.808) 7.571 6.833 ( -3.257 4.857 4.808) 7.571 7.157 ( 2.424 -5.945 14.606) 15.955 7.157 ( 2.424 5.945 14.606) 15.955 7.297 ( 0.058 -6.268 -2.051) 6.595 7.297 ( 0.058 6.268 -2.051) 6.595 7.607 ( -3.861 -8.535 -0.301) 9.373 7.607 ( -3.861 8.535 -0.301) 9.373 7.830 ( -4.344 -13.362 -4.837) 14.860 7.830 ( -4.344 13.362 -4.837) 14.860 8.043 ( -9.300 -9.003 4.238) 13.620 8.043 ( -9.300 9.003 4.238) 13.620 8.334 ( -5.303 -7.427 5.223) 10.515 8.334 ( -5.303 7.427 5.223) 10.515 8.480 ( 2.080 -13.847 -2.002) 14.145 8.480 ( 2.080 13.847 -2.002) 14.145 8.650 ( 4.545 -7.717 3.549) 9.634 8.650 ( 4.545 7.717 3.549) 9.634 8.992 ( -8.139 -0.818 -0.689) 8.208 8.992 ( -8.139 0.818 -0.689) 8.208 9.608 ( -1.413 -3.645 1.907) 4.349 9.608 ( -1.413 3.645 1.907) 4.349 9.716 ( 0.872 -1.337 -2.533) 2.993 9.716 ( 0.872 1.337 -2.533) 2.993 9.939 ( -0.989 -2.622 5.563) 6.229 9.939 ( -0.989 2.622 5.563) 6.229 10.302 ( 6.271 -5.973 -3.798) 9.457 10.302 ( 6.271 5.973 -3.798) 9.457 10.339 ( 0.829 -6.221 -7.180) 9.536 10.339 ( 0.829 6.221 -7.180) 9.536 10.568 ( 0.310 -1.681 3.176) 3.607 10.568 ( 0.310 1.681 3.176) 3.607 10.895 ( -0.066 -3.976 -3.636) 5.388 10.895 ( -0.066 3.976 -3.636) 5.388 10.970 ( -4.056 -5.761 3.312) 7.785 10.970 ( -4.056 5.761 3.312) 7.785 11.279 ( 0.532 -4.849 4.883) 6.902 11.279 ( 0.532 4.849 4.883) 6.902 11.520 ( 3.384 -4.203 -0.637) 5.433 11.520 ( 3.384 4.203 -0.637) 5.433 11.712 ( -0.995 -3.041 -1.450) 3.513 11.712 ( -0.995 3.041 -1.450) 3.513 12.015 ( 1.097 -3.211 0.826) 3.492 12.015 ( 1.097 3.211 0.826) 3.492 12.303 ( 1.395 -3.554 1.204) 4.003 12.303 ( 1.395 3.554 1.204) 4.003 12.397 ( 2.584 -2.820 -0.884) 3.925 12.397 ( 2.584 2.820 -0.884) 3.925 12.663 ( -2.526 -2.918 3.310) 5.084 12.663 ( -2.526 2.918 3.310) 5.084 12.924 ( 0.604 -1.869 -0.338) 1.993 12.924 ( 0.604 1.869 -0.338) 1.993 13.171 ( 1.137 -1.368 0.088) 1.781 13.171 ( 1.137 1.368 0.088) 1.781 13.420 ( 0.339 -4.200 -0.654) 4.264 13.420 ( 0.339 4.200 -0.654) 4.264 13.485 ( 2.255 -3.520 -0.109) 4.181 13.485 ( 2.255 3.520 -0.109) 4.181 13.700 ( 3.567 -5.975 2.134) 7.279 13.700 ( 3.567 5.975 2.134) 7.279 13.896 ( -1.056 -2.939 -0.266) 3.135 13.896 ( -1.056 2.939 -0.266) 3.135 14.101 ( 2.899 -2.220 -1.606) 3.989 14.101 ( 2.899 2.220 -1.606) 3.989 14.364 ( -0.991 -1.200 1.390) 2.087 14.364 ( -0.991 1.200 1.390) 2.087 14.837 ( 1.441 -0.880 -0.315) 1.718 14.837 ( 1.441 0.880 -0.315) 1.718 15.244 ( -1.167 -0.233 -1.067) 1.598 15.244 ( -1.167 0.233 -1.067) 1.598 15.400 ( -0.089 -0.706 1.346) 1.522 15.400 ( -0.089 0.706 1.346) 1.522 15.579 ( -0.368 -0.258 -2.199) 2.244 15.579 ( -0.368 0.258 -2.199) 2.244 ======================= Grid point 26 (15/117) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 32.187 -28.619 1.862) 43.110 2.420 ( 32.187 28.619 1.862) 43.110 2.917 ( 37.001 -31.947 -7.304) 49.427 2.917 ( 37.001 31.947 -7.304) 49.427 4.554 ( 47.643 -48.647 18.388) 70.531 4.554 ( 47.643 48.647 18.388) 70.531 5.317 ( -0.276 -30.254 -3.465) 30.453 5.317 ( -0.276 30.254 -3.465) 30.453 5.586 ( 8.116 -20.749 -4.076) 22.650 5.586 ( 8.116 20.749 -4.076) 22.650 5.991 ( -1.929 -3.856 -7.042) 8.257 5.991 ( -1.929 3.856 -7.042) 8.257 6.315 ( -3.434 -7.178 -16.678) 18.479 6.315 ( -3.434 7.178 -16.678) 18.479 6.527 ( -4.431 -2.265 -11.432) 12.468 6.527 ( -4.431 2.265 -11.432) 12.468 6.753 ( -4.843 -2.925 -3.169) 6.485 6.753 ( -4.843 2.925 -3.169) 6.485 7.155 ( -5.830 -6.754 3.172) 9.469 7.155 ( -5.830 6.754 3.172) 9.469 7.319 ( -5.069 -7.365 1.263) 9.029 7.319 ( -5.069 7.365 1.263) 9.029 7.431 ( -7.537 -7.014 1.358) 10.384 7.431 ( -7.537 7.014 1.358) 10.384 7.709 ( -6.128 -2.994 5.987) 9.075 7.709 ( -6.128 2.994 5.987) 9.075 7.936 ( -5.295 -11.751 3.951) 13.481 7.936 ( -5.295 11.751 3.951) 13.481 8.203 ( -7.183 -6.916 3.140) 10.454 8.203 ( -7.183 6.916 3.140) 10.454 8.423 ( -9.013 -7.787 0.504) 11.921 8.423 ( -9.013 7.787 0.504) 11.921 8.764 ( 2.861 -9.933 6.684) 12.309 8.764 ( 2.861 9.933 6.684) 12.309 8.918 ( 4.136 -10.245 3.366) 11.550 8.918 ( 4.136 10.245 3.366) 11.550 9.558 ( -3.730 -3.975 0.761) 5.504 9.558 ( -3.730 3.975 0.761) 5.504 9.746 ( 0.770 -2.324 0.992) 2.641 9.746 ( 0.770 2.324 0.992) 2.641 9.909 ( -3.822 -2.279 5.514) 7.085 9.909 ( -3.822 2.279 5.514) 7.085 10.308 ( 1.111 -6.714 -4.810) 8.334 10.308 ( 1.111 6.714 -4.810) 8.334 10.436 ( 5.900 -9.184 -8.609) 13.902 10.436 ( 5.900 9.184 -8.609) 13.902 10.557 ( -2.298 -2.684 2.378) 4.259 10.557 ( -2.298 2.684 2.378) 4.259 10.861 ( -1.547 -3.445 -5.976) 7.069 10.861 ( -1.547 3.445 -5.976) 7.069 10.916 ( -2.978 -4.433 3.927) 6.629 10.916 ( -2.978 4.433 3.927) 6.629 11.262 ( -4.159 -7.214 4.673) 9.549 11.262 ( -4.159 7.214 4.673) 9.549 11.518 ( -3.290 -7.816 -1.983) 8.709 11.518 ( -3.290 7.816 -1.983) 8.709 11.751 ( 5.827 -1.144 -0.797) 5.992 11.751 ( 5.827 1.144 -0.797) 5.992 12.044 ( 1.883 -4.773 -0.354) 5.144 12.044 ( 1.883 4.773 -0.354) 5.144 12.356 ( 3.017 -2.751 1.064) 4.220 12.356 ( 3.017 2.751 1.064) 4.220 12.445 ( 2.476 -4.282 0.603) 4.983 12.445 ( 2.476 4.282 0.603) 4.983 12.648 ( -0.483 -3.934 5.692) 6.936 12.648 ( -0.483 3.934 5.692) 6.936 12.939 ( 1.425 -1.075 -1.973) 2.661 12.939 ( 1.425 1.075 -1.973) 2.661 13.190 ( 0.776 -0.785 -0.380) 1.167 13.190 ( 0.776 0.785 -0.380) 1.167 13.423 ( 0.382 -2.508 -1.204) 2.809 13.423 ( 0.382 2.508 -1.204) 2.809 13.544 ( 3.140 -3.685 0.618) 4.880 13.544 ( 3.140 3.685 0.618) 4.880 13.777 ( 2.357 -8.831 1.605) 9.280 13.777 ( 2.357 8.831 1.605) 9.280 13.901 ( 2.093 -5.242 0.030) 5.645 13.901 ( 2.093 5.242 0.030) 5.645 14.161 ( 3.744 -0.729 -2.351) 4.481 14.161 ( 3.744 0.729 -2.351) 4.481 14.356 ( -0.511 -0.964 3.306) 3.481 14.356 ( -0.511 0.964 3.306) 3.481 14.868 ( 1.635 -0.999 -0.349) 1.948 14.868 ( 1.635 0.999 -0.349) 1.948 15.205 ( -2.012 -1.004 -1.751) 2.850 15.205 ( -2.012 1.004 -1.751) 2.850 15.402 ( -0.673 -1.215 2.820) 3.143 15.402 ( -0.673 1.215 2.820) 3.143 15.564 ( 0.327 -0.626 -4.280) 4.338 15.564 ( 0.327 0.626 -4.280) 4.338 ======================= Grid point 28 (16/117) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 41.390 -13.153 4.094) 43.623 3.191 ( 41.390 13.153 4.094) 43.623 3.663 ( 39.406 -22.013 -5.562) 45.479 3.663 ( 39.406 22.013 -5.562) 45.479 5.278 ( 1.391 -21.428 -5.111) 22.073 5.278 ( 1.391 21.428 -5.111) 22.073 5.515 ( 33.443 -24.244 11.174) 42.791 5.515 ( 33.443 24.244 11.174) 42.791 5.691 ( 3.115 -10.875 -6.159) 12.880 5.691 ( 3.115 10.875 -6.159) 12.880 5.954 ( 5.645 -18.456 -6.285) 20.297 5.954 ( 5.645 18.456 -6.285) 20.297 6.219 ( -0.218 -6.835 -16.010) 17.410 6.219 ( -0.218 6.835 -16.010) 17.410 6.399 ( -4.079 -6.596 -7.050) 10.481 6.399 ( -4.079 6.596 -7.050) 10.481 6.615 ( -5.900 -2.952 -13.894) 15.381 6.615 ( -5.900 2.952 -13.894) 15.381 6.992 ( -16.804 -1.354 -2.437) 17.034 6.992 ( -16.804 1.354 -2.437) 17.034 7.058 ( -5.354 -5.941 5.639) 9.786 7.058 ( -5.354 5.941 5.639) 9.786 7.391 ( -6.150 -3.645 3.384) 7.909 7.391 ( -6.150 3.645 3.384) 7.909 7.639 ( -4.541 -9.543 11.827) 15.861 7.639 ( -4.541 9.543 11.827) 15.861 7.825 ( -7.309 -3.386 4.204) 9.087 7.825 ( -7.309 3.386 4.204) 9.087 8.125 ( -1.678 -5.676 3.274) 6.764 8.125 ( -1.678 5.676 3.274) 6.764 8.230 ( -8.534 -8.678 7.278) 14.182 8.230 ( -8.534 8.678 7.278) 14.182 8.827 ( 1.804 -5.895 3.975) 7.335 8.827 ( 1.804 5.895 3.975) 7.335 9.088 ( 6.917 -9.895 4.786) 12.987 9.088 ( 6.917 9.895 4.786) 12.987 9.481 ( -4.002 -4.404 3.003) 6.666 9.481 ( -4.002 4.404 3.003) 6.666 9.712 ( -4.552 -3.795 1.085) 6.025 9.712 ( -4.552 3.795 1.085) 6.025 9.856 ( -3.897 -3.678 7.194) 8.970 9.856 ( -3.897 3.678 7.194) 8.970 10.326 ( 2.246 -6.633 -5.245) 8.749 10.326 ( 2.246 6.633 -5.245) 8.749 10.406 ( -5.915 -3.764 -5.578) 8.960 10.406 ( -5.915 3.764 -5.578) 8.960 10.532 ( -1.127 -0.927 -2.203) 2.642 10.532 ( -1.127 0.927 -2.203) 2.642 10.790 ( -2.969 -2.645 -5.419) 6.721 10.790 ( -2.969 2.645 -5.419) 6.721 10.871 ( -2.628 -4.732 2.417) 5.928 10.871 ( -2.628 4.732 2.417) 5.928 11.168 ( -4.681 -4.655 0.032) 6.602 11.168 ( -4.681 4.655 0.032) 6.602 11.481 ( 0.919 -7.421 -0.511) 7.495 11.481 ( 0.919 7.421 -0.511) 7.495 11.858 ( 4.463 -1.074 -2.996) 5.482 11.858 ( 4.463 1.074 -2.996) 5.482 12.097 ( 3.622 -5.176 0.479) 6.336 12.097 ( 3.622 5.176 0.479) 6.336 12.395 ( 1.062 -3.124 -2.615) 4.211 12.395 ( 1.062 3.124 -2.615) 4.211 12.528 ( 4.804 -5.319 4.514) 8.470 12.528 ( 4.804 5.319 4.514) 8.470 12.689 ( 1.938 -3.725 6.809) 8.000 12.689 ( 1.938 3.725 6.809) 8.000 12.965 ( 2.009 -1.452 -2.320) 3.395 12.965 ( 2.009 1.452 -2.320) 3.395 13.195 ( -0.294 -1.048 -0.784) 1.342 13.195 ( -0.294 1.048 -0.784) 1.342 13.421 ( -0.298 -1.717 -0.996) 2.007 13.421 ( -0.298 1.717 -0.996) 2.007 13.607 ( 2.726 -3.814 1.489) 4.919 13.607 ( 2.726 3.814 1.489) 4.919 13.803 ( 0.664 -6.029 -0.330) 6.074 13.803 ( 0.664 6.029 -0.330) 6.074 13.958 ( 2.536 -2.141 0.220) 3.326 13.958 ( 2.536 2.141 0.220) 3.326 14.222 ( 3.072 -0.704 -1.986) 3.725 14.222 ( 3.072 0.704 -1.986) 3.725 14.375 ( 0.845 -2.251 3.602) 4.330 14.375 ( 0.845 2.251 3.602) 4.330 14.894 ( 1.019 -1.565 -0.107) 1.871 14.894 ( 1.019 1.565 -0.107) 1.871 15.156 ( -2.003 -1.823 -2.215) 3.499 15.156 ( -2.003 1.823 -2.215) 3.499 15.399 ( -0.815 -2.129 3.789) 4.422 15.399 ( -0.815 2.129 3.789) 4.422 15.561 ( 1.181 -1.263 -5.195) 5.476 15.561 ( 1.181 1.263 -5.195) 5.476 ======================= Grid point 30 (17/117) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.018 ( 38.552 -7.054 3.759) 39.372 4.018 ( 38.552 7.054 3.759) 39.372 4.410 ( 36.901 -14.227 -3.295) 39.685 4.410 ( 36.901 14.227 -3.295) 39.685 5.258 ( -0.817 -15.768 -5.740) 16.800 5.258 ( -0.817 15.768 -5.740) 16.800 5.527 ( -7.080 -7.645 -8.415) 13.393 5.527 ( -7.080 7.645 -8.415) 13.393 5.901 ( -1.414 -7.933 -3.047) 8.615 5.901 ( -1.414 7.933 -3.047) 8.615 6.152 ( 3.421 -10.989 -2.010) 11.684 6.152 ( 3.421 10.989 -2.010) 11.684 6.197 ( 3.911 -5.957 -4.413) 8.382 6.197 ( 3.911 5.957 -4.413) 8.382 6.344 ( -3.049 -13.441 -18.971) 23.449 6.344 ( -3.049 13.441 -18.971) 23.449 6.457 ( 1.138 -7.957 -4.268) 9.101 6.457 ( 1.138 7.957 -4.268) 9.101 6.664 ( -13.721 -5.415 0.679) 14.767 6.664 ( -13.721 5.415 0.679) 14.767 7.109 ( 3.318 -4.863 9.865) 11.488 7.109 ( 3.318 4.863 9.865) 11.488 7.287 ( 1.808 -5.824 5.273) 8.062 7.287 ( 1.808 5.824 5.273) 8.062 7.566 ( -6.833 -13.164 6.415) 16.160 7.566 ( -6.833 13.164 6.415) 16.160 7.730 ( -2.314 -3.531 6.340) 7.617 7.730 ( -2.314 3.531 6.340) 7.617 8.102 ( -1.030 -8.011 0.274) 8.081 8.102 ( -1.030 8.011 0.274) 8.081 8.248 ( 4.749 -8.996 12.574) 16.174 8.248 ( 4.749 8.996 12.574) 16.174 8.834 ( -3.340 -6.598 1.484) 7.543 8.834 ( -3.340 6.598 1.484) 7.543 9.127 ( -3.372 -4.006 -2.101) 5.642 9.127 ( -3.372 4.006 -2.101) 5.642 9.448 ( -3.381 -5.151 8.742) 10.695 9.448 ( -3.381 5.151 8.742) 10.695 9.622 ( -3.033 -6.013 0.563) 6.758 9.622 ( -3.033 6.013 0.563) 6.758 9.792 ( -5.826 -3.867 4.943) 8.563 9.792 ( -5.826 3.867 4.943) 8.563 10.209 ( -8.459 -7.576 -3.783) 11.969 10.209 ( -8.459 7.576 -3.783) 11.969 10.348 ( 1.170 -6.220 -4.756) 7.917 10.348 ( 1.170 6.220 -4.756) 7.917 10.482 ( -2.158 -3.768 -2.951) 5.250 10.482 ( -2.158 3.768 -2.951) 5.250 10.701 ( -3.710 -1.114 -2.299) 4.504 10.701 ( -3.710 1.114 -2.299) 4.504 10.861 ( 0.746 -3.713 -0.203) 3.793 10.861 ( 0.746 3.713 -0.203) 3.793 11.116 ( -0.405 -2.874 -1.619) 3.323 11.116 ( -0.405 2.874 -1.619) 3.323 11.522 ( 2.544 -5.986 -0.589) 6.531 11.522 ( 2.544 5.986 -0.589) 6.531 11.899 ( 1.421 -4.337 -3.070) 5.500 11.899 ( 1.421 4.337 -3.070) 5.500 12.182 ( 4.174 -3.400 0.127) 5.384 12.182 ( 4.174 3.400 0.127) 5.384 12.397 ( 0.387 -2.463 -1.760) 3.051 12.397 ( 0.387 2.463 -1.760) 3.051 12.639 ( 3.958 -1.886 3.987) 5.927 12.639 ( 3.958 1.886 3.987) 5.927 12.779 ( 4.280 -3.528 6.661) 8.668 12.779 ( 4.280 3.528 6.661) 8.668 12.994 ( 1.590 -1.331 -2.072) 2.931 12.994 ( 1.590 1.331 -2.072) 2.931 13.161 ( -2.827 -1.861 -1.796) 3.832 13.161 ( -2.827 1.861 -1.796) 3.832 13.403 ( -0.953 -1.292 -0.502) 1.682 13.403 ( -0.953 1.292 -0.502) 1.682 13.665 ( 2.362 -3.708 1.728) 4.723 13.665 ( 2.362 3.708 1.728) 4.723 13.816 ( 0.854 -3.088 -0.844) 3.313 13.816 ( 0.854 3.088 -0.844) 3.313 13.989 ( 0.720 -1.171 -0.224) 1.393 13.989 ( 0.720 1.171 -0.224) 1.393 14.262 ( 1.281 -1.054 -0.087) 1.662 14.262 ( 1.281 1.054 -0.087) 1.662 14.407 ( 1.157 -3.118 1.281) 3.564 14.407 ( 1.157 3.118 1.281) 3.564 14.908 ( 0.387 -2.434 0.265) 2.478 14.908 ( 0.387 2.434 0.265) 2.478 15.113 ( -1.289 -2.282 -2.093) 3.354 15.113 ( -1.289 2.282 -2.093) 3.354 15.407 ( 0.114 -3.033 3.741) 4.817 15.407 ( 0.114 3.033 3.741) 4.817 15.563 ( 0.922 -1.327 -4.592) 4.868 15.563 ( 0.922 1.327 -4.592) 4.868 ======================= Grid point 32 (18/117) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.691 ( 25.669 -4.503 2.056) 26.142 4.691 ( 25.669 4.503 2.056) 26.142 5.054 ( 20.565 -7.256 0.531) 21.814 5.054 ( 20.565 7.256 0.531) 21.814 5.172 ( -1.704 -9.206 -4.920) 10.576 5.172 ( -1.704 9.206 -4.920) 10.576 5.392 ( -1.889 -6.794 -3.485) 7.866 5.392 ( -1.889 6.794 -3.485) 7.866 5.701 ( -17.255 -5.865 2.398) 18.382 5.701 ( -17.255 5.865 2.398) 18.382 6.075 ( -3.087 -2.527 -11.535) 12.206 6.075 ( -3.087 2.527 -11.535) 12.206 6.146 ( -4.582 -0.852 -0.497) 4.687 6.146 ( -4.582 0.852 -0.497) 4.687 6.316 ( 3.433 -2.518 -2.141) 4.766 6.316 ( 3.433 2.518 -2.141) 4.766 6.360 ( -6.525 -3.243 2.176) 7.604 6.360 ( -6.525 3.243 2.176) 7.604 6.573 ( 1.447 -14.948 -6.440) 16.340 6.573 ( 1.447 14.948 -6.440) 16.340 7.114 ( -1.413 -9.744 5.877) 11.467 7.114 ( -1.413 9.744 5.877) 11.467 7.365 ( -3.867 -15.613 3.656) 16.495 7.365 ( -3.867 15.613 3.656) 16.495 7.568 ( 2.049 -6.618 4.694) 8.368 7.568 ( 2.049 6.618 4.694) 8.368 7.862 ( 11.464 -4.880 0.268) 12.462 7.862 ( 11.464 4.880 0.268) 12.462 8.130 ( 4.549 -9.810 1.346) 10.897 8.130 ( 4.549 9.810 1.346) 10.897 8.406 ( 4.401 -11.376 7.681) 14.414 8.406 ( 4.401 11.376 7.681) 14.414 8.692 ( -9.333 -6.648 0.556) 11.472 8.692 ( -9.333 6.648 0.556) 11.472 9.014 ( -4.619 -3.440 -4.424) 7.262 9.014 ( -4.619 3.440 -4.424) 7.262 9.369 ( -4.691 -1.651 2.817) 5.716 9.369 ( -4.691 1.651 2.817) 5.716 9.607 ( -0.213 -5.690 1.590) 5.912 9.607 ( -0.213 5.690 1.590) 5.912 9.674 ( -4.371 -4.088 -0.550) 6.010 9.674 ( -4.371 4.088 -0.550) 6.010 10.137 ( 0.287 -12.824 1.980) 12.979 10.137 ( 0.287 12.824 1.980) 12.979 10.332 ( -0.912 -5.306 -2.857) 6.095 10.332 ( -0.912 5.306 -2.857) 6.095 10.437 ( -0.870 -2.529 -2.115) 3.409 10.437 ( -0.870 2.529 -2.115) 3.409 10.647 ( -1.125 -0.777 -0.407) 1.427 10.647 ( -1.125 0.777 -0.407) 1.427 10.874 ( 0.441 -2.771 -0.363) 2.830 10.874 ( 0.441 2.771 -0.363) 2.830 11.117 ( 0.503 -2.803 -0.697) 2.932 11.117 ( 0.503 2.803 -0.697) 2.932 11.558 ( 1.008 -3.915 -0.378) 4.060 11.558 ( 1.008 3.915 -0.378) 4.060 11.906 ( 0.315 -6.502 -1.119) 6.605 11.906 ( 0.315 6.502 -1.119) 6.605 12.241 ( 1.564 -1.181 -0.394) 1.999 12.241 ( 1.564 1.181 -0.394) 1.999 12.402 ( 0.400 -1.864 -0.324) 1.933 12.402 ( 0.400 1.864 -0.324) 1.933 12.707 ( 1.486 -1.742 1.905) 2.978 12.707 ( 1.486 1.742 1.905) 2.978 12.899 ( 4.794 -4.028 4.642) 7.794 12.899 ( 4.794 4.028 4.642) 7.794 13.004 ( -0.221 -0.817 -2.008) 2.179 13.004 ( -0.221 0.817 -2.008) 2.179 13.077 ( -3.703 -3.973 -1.958) 5.773 13.077 ( -3.703 3.973 -1.958) 5.773 13.388 ( -0.378 -0.790 -0.107) 0.882 13.388 ( -0.378 0.790 -0.107) 0.882 13.707 ( 1.088 -1.871 0.858) 2.329 13.707 ( 1.088 1.871 0.858) 2.329 13.827 ( 0.403 -0.682 -0.555) 0.967 13.827 ( 0.403 0.682 -0.555) 0.967 13.994 ( 0.004 -2.872 -0.063) 2.873 13.994 ( 0.004 2.872 -0.063) 2.873 14.275 ( 0.152 -1.347 0.332) 1.396 14.275 ( 0.152 1.347 0.332) 1.396 14.426 ( 0.431 -3.567 0.007) 3.593 14.426 ( 0.431 3.567 0.007) 3.593 14.914 ( 0.112 -3.164 0.218) 3.173 14.914 ( 0.112 3.164 0.218) 3.173 15.090 ( -0.422 -2.401 -0.886) 2.594 15.090 ( -0.422 2.401 -0.886) 2.594 15.426 ( 0.348 -3.715 1.829) 4.156 15.426 ( 0.348 3.715 1.829) 4.156 15.560 ( 0.237 -0.655 -2.098) 2.211 15.560 ( 0.237 0.655 -2.098) 2.211 ======================= Grid point 55 (19/117) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 4.519 0.000 56.115) 56.297 1.232 ( -0.117 0.000 57.785) 57.785 1.666 ( -2.434 0.000 78.355) 78.393 3.852 ( -2.252 0.000 8.919) 9.199 3.904 ( -4.131 0.000 6.315) 7.546 4.128 ( -7.867 0.000 0.989) 7.929 4.149 ( -6.565 0.000 7.880) 10.256 5.605 ( 0.742 0.000 -15.488) 15.506 5.682 ( -3.163 0.000 9.528) 10.040 5.824 ( -1.175 0.000 -13.372) 13.423 5.929 ( -3.189 0.000 -12.368) 12.772 6.048 ( 0.990 0.000 -0.905) 1.342 6.214 ( -1.891 0.000 -7.412) 7.649 6.384 ( 1.128 0.000 2.096) 2.380 6.508 ( -2.552 0.000 -21.474) 21.625 6.562 ( 0.911 0.000 8.259) 8.309 6.574 ( -3.465 0.000 -6.474) 7.343 6.714 ( 1.051 0.000 -8.395) 8.461 6.877 ( -0.694 0.000 -6.448) 6.485 7.247 ( 3.537 0.000 2.270) 4.203 7.289 ( 4.971 0.000 12.027) 13.013 7.391 ( -1.543 0.000 -2.593) 3.018 7.449 ( 3.839 0.000 0.933) 3.950 7.603 ( -10.614 0.000 8.103) 13.353 7.724 ( 5.798 0.000 16.604) 17.587 7.927 ( -5.733 0.000 14.420) 15.518 8.111 ( 10.279 0.000 -5.193) 11.516 8.231 ( 3.069 0.000 0.625) 3.132 8.284 ( -4.489 0.000 -2.678) 5.227 8.451 ( -6.177 0.000 -23.019) 23.834 8.505 ( -7.162 0.000 6.573) 9.721 8.560 ( 5.436 0.000 -0.280) 5.444 8.705 ( 10.357 0.000 -1.936) 10.537 8.885 ( -3.403 0.000 0.558) 3.448 9.021 ( -2.666 0.000 0.344) 2.688 9.084 ( 2.730 0.000 -3.778) 4.661 9.466 ( 9.176 0.000 -7.699) 11.978 9.669 ( -2.241 0.000 -3.835) 4.442 9.786 ( -1.953 0.000 -14.541) 14.671 9.819 ( -0.587 0.000 -2.582) 2.648 9.910 ( -8.413 0.000 5.001) 9.787 9.956 ( 3.420 0.000 5.196) 6.221 10.027 ( -0.672 0.000 7.045) 7.077 10.189 ( -2.554 0.000 4.031) 4.772 10.303 ( -9.185 0.000 1.759) 9.352 10.510 ( -0.725 0.000 -4.100) 4.163 10.535 ( 4.056 0.000 3.736) 5.514 10.623 ( 1.335 0.000 -2.876) 3.171 10.762 ( -0.433 0.000 3.024) 3.055 10.781 ( 2.117 0.000 -1.123) 2.397 10.973 ( -3.861 0.000 0.363) 3.878 11.000 ( 1.062 0.000 4.315) 4.444 11.282 ( -3.076 0.000 -1.944) 3.638 11.407 ( 5.929 0.000 1.986) 6.253 11.461 ( 3.015 0.000 -3.936) 4.958 11.598 ( 1.093 0.000 1.424) 1.795 11.612 ( -0.252 0.000 1.893) 1.910 11.801 ( 16.710 0.000 -4.219) 17.234 11.822 ( 1.888 0.000 2.350) 3.014 11.949 ( -3.625 0.000 1.658) 3.987 12.204 ( -1.126 0.000 1.560) 1.924 12.291 ( 1.317 0.000 -0.725) 1.503 12.302 ( -0.659 0.000 -6.196) 6.231 12.539 ( 2.651 0.000 -0.316) 2.669 12.698 ( 0.578 0.000 3.743) 3.788 12.762 ( -0.191 0.000 5.638) 5.641 12.828 ( 1.850 0.000 -2.350) 2.991 12.960 ( -1.053 0.000 -3.797) 3.941 13.179 ( 3.381 0.000 2.029) 3.943 13.183 ( -0.466 0.000 -2.381) 2.427 13.260 ( -0.628 0.000 1.484) 1.611 13.400 ( -2.888 0.000 -0.852) 3.011 13.438 ( 3.240 0.000 -4.976) 5.938 13.542 ( -0.094 0.000 -2.326) 2.328 13.592 ( -1.014 0.000 0.703) 1.234 13.661 ( 2.230 0.000 -3.327) 4.005 13.859 ( 2.987 0.000 -2.491) 3.889 13.936 ( 0.666 0.000 -4.981) 5.026 14.126 ( 0.330 0.000 0.760) 0.828 14.220 ( 0.102 0.000 3.600) 3.601 14.245 ( -0.918 0.000 3.250) 3.377 14.380 ( 0.327 0.000 2.181) 2.205 14.820 ( -1.547 0.000 1.597) 2.223 14.823 ( 0.971 0.000 1.606) 1.877 15.200 ( -1.705 0.000 -2.084) 2.692 15.290 ( -0.774 0.000 3.756) 3.835 15.366 ( 1.487 0.000 -3.645) 3.937 15.444 ( 0.838 0.000 2.730) 2.855 15.614 ( -2.724 0.000 1.812) 3.271 15.635 ( -2.042 0.000 3.406) 3.971 ======================= Grid point 56 (20/117) ======================= q-point: ( 0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 24.314 0.000 41.756) 48.319 1.805 ( 30.834 0.000 45.469) 54.938 2.662 ( 53.674 0.000 59.900) 80.430 3.909 ( 4.219 0.000 8.804) 9.762 3.948 ( 6.960 0.000 1.140) 7.053 3.970 ( -5.871 0.000 0.493) 5.891 4.043 ( -5.814 0.000 8.880) 10.613 5.504 ( -3.472 0.000 -19.674) 19.979 5.703 ( -5.466 0.000 -26.962) 27.511 5.768 ( 8.933 0.000 -4.724) 10.105 5.791 ( 0.094 0.000 -27.164) 27.165 6.190 ( 7.614 0.000 5.383) 9.325 6.244 ( 1.445 0.000 1.421) 2.027 6.346 ( -6.200 0.000 -5.135) 8.050 6.365 ( -0.679 0.000 -15.649) 15.664 6.505 ( -1.117 0.000 7.907) 7.986 6.604 ( 0.475 0.000 4.115) 4.143 6.685 ( 0.445 0.000 -5.539) 5.557 6.828 ( -2.058 0.000 -3.323) 3.909 7.165 ( -13.949 0.000 1.546) 14.034 7.325 ( 2.638 0.000 7.449) 7.902 7.406 ( 2.357 0.000 11.461) 11.701 7.525 ( 3.813 0.000 -1.653) 4.156 7.614 ( 3.278 0.000 1.847) 3.763 7.832 ( -8.472 0.000 8.776) 12.198 7.885 ( 3.772 0.000 10.476) 11.135 8.093 ( -8.039 0.000 -7.206) 10.796 8.143 ( -10.854 0.000 -17.416) 20.521 8.283 ( 2.788 0.000 3.403) 4.399 8.296 ( -9.130 0.000 4.012) 9.973 8.349 ( -0.277 0.000 3.185) 3.197 8.642 ( 1.321 0.000 5.519) 5.674 8.765 ( -4.052 0.000 5.602) 6.914 8.913 ( 3.893 0.000 0.459) 3.920 8.959 ( -2.184 0.000 -3.715) 4.310 9.150 ( 3.201 0.000 -0.711) 3.279 9.597 ( -3.218 0.000 -4.030) 5.157 9.632 ( 8.156 0.000 -1.830) 8.359 9.695 ( -0.690 0.000 -11.918) 11.938 9.797 ( 2.317 0.000 -1.637) 2.837 9.817 ( -3.172 0.000 2.634) 4.123 10.016 ( 0.896 0.000 3.403) 3.519 10.068 ( 1.713 0.000 1.751) 2.450 10.139 ( -3.538 0.000 2.907) 4.579 10.385 ( 7.801 0.000 -5.783) 9.711 10.488 ( 1.054 0.000 -7.384) 7.458 10.619 ( -1.320 0.000 -0.690) 1.489 10.621 ( 2.689 0.000 2.942) 3.986 10.767 ( -0.214 0.000 1.893) 1.905 10.809 ( 0.572 0.000 -0.610) 0.837 10.889 ( -4.125 0.000 -2.594) 4.872 11.027 ( -0.153 0.000 3.974) 3.977 11.177 ( -5.722 0.000 -0.942) 5.799 11.453 ( -3.152 0.000 -1.840) 3.650 11.557 ( 6.043 0.000 3.440) 6.954 11.642 ( 2.613 0.000 0.265) 2.626 11.650 ( 3.637 0.000 1.997) 4.149 11.789 ( -6.914 0.000 -0.951) 6.979 11.937 ( 7.514 0.000 3.016) 8.096 11.997 ( 0.780 0.000 -5.060) 5.120 12.211 ( -0.481 0.000 -2.187) 2.240 12.249 ( -0.388 0.000 -1.017) 1.088 12.343 ( 3.661 0.000 -0.325) 3.676 12.589 ( 2.191 0.000 1.613) 2.720 12.751 ( 2.395 0.000 6.167) 6.616 12.756 ( -0.692 0.000 3.842) 3.903 12.871 ( 3.471 0.000 -2.158) 4.087 12.894 ( -2.022 0.000 -1.417) 2.469 13.167 ( -0.358 0.000 -1.210) 1.262 13.224 ( 0.827 0.000 1.896) 2.069 13.307 ( 2.178 0.000 0.923) 2.365 13.352 ( -0.632 0.000 -1.923) 2.024 13.487 ( 4.136 0.000 -5.255) 6.688 13.534 ( -4.054 0.000 -1.898) 4.476 13.536 ( 1.312 0.000 -4.324) 4.519 13.723 ( 3.996 0.000 -1.294) 4.200 13.934 ( 1.447 0.000 -6.075) 6.245 13.948 ( 6.205 0.000 -2.022) 6.526 14.178 ( 3.538 0.000 1.326) 3.778 14.235 ( -0.212 0.000 3.310) 3.317 14.243 ( -0.063 0.000 1.847) 1.848 14.376 ( -1.731 0.000 3.501) 3.905 14.807 ( -0.214 0.000 0.355) 0.415 14.868 ( 2.275 0.000 0.698) 2.380 15.163 ( -0.840 0.000 -3.322) 3.427 15.273 ( -2.526 0.000 3.418) 4.250 15.383 ( 1.861 0.000 -3.710) 4.151 15.466 ( 0.041 0.000 3.731) 3.732 15.557 ( -3.464 0.000 0.831) 3.562 15.601 ( -2.409 0.000 2.763) 3.666 ======================= Grid point 57 (21/117) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 40.156 0.000 20.309) 45.000 2.672 ( 38.450 0.000 33.075) 50.718 3.911 ( 9.056 0.000 14.839) 17.384 4.018 ( 45.442 0.000 28.405) 53.589 4.040 ( 3.302 0.000 6.848) 7.602 4.140 ( 20.812 0.000 8.211) 22.373 4.178 ( 15.739 0.000 -2.929) 16.009 5.361 ( -1.858 0.000 -18.727) 18.819 5.475 ( -4.837 0.000 -28.130) 28.543 5.650 ( -3.402 0.000 -33.601) 33.772 5.955 ( 12.614 0.000 -13.275) 18.313 6.081 ( -8.350 0.000 -13.251) 15.662 6.116 ( -5.092 0.000 -18.208) 18.907 6.299 ( -1.320 0.000 -1.192) 1.778 6.445 ( 0.877 0.000 0.060) 0.879 6.488 ( -4.087 0.000 5.640) 6.966 6.647 ( -5.328 0.000 -1.434) 5.517 6.671 ( 3.363 0.000 7.291) 8.030 6.774 ( 0.078 0.000 -3.725) 3.726 7.009 ( -3.436 0.000 7.058) 7.850 7.391 ( -1.746 0.000 12.825) 12.943 7.476 ( -2.804 0.000 3.477) 4.467 7.554 ( -1.344 0.000 -7.657) 7.774 7.633 ( -0.908 0.000 7.077) 7.135 7.676 ( -8.392 0.000 9.410) 12.609 7.814 ( -8.808 0.000 -16.294) 18.522 7.925 ( -7.464 0.000 -1.408) 7.596 7.991 ( -0.583 0.000 9.202) 9.221 8.093 ( -5.841 0.000 5.120) 7.767 8.325 ( -3.042 0.000 3.083) 4.331 8.420 ( 2.938 0.000 9.994) 10.417 8.674 ( 0.131 0.000 5.447) 5.448 8.688 ( -5.641 0.000 12.000) 13.260 8.921 ( -0.879 0.000 1.433) 1.681 8.960 ( 0.019 0.000 2.284) 2.284 9.182 ( 0.433 0.000 -0.158) 0.461 9.519 ( -2.283 0.000 -4.055) 4.654 9.682 ( 2.576 0.000 -6.728) 7.205 9.727 ( 0.804 0.000 6.606) 6.655 9.771 ( -0.361 0.000 -4.205) 4.221 9.917 ( 2.988 0.000 9.712) 10.161 10.028 ( -0.448 0.000 2.302) 2.345 10.079 ( -3.329 0.000 0.928) 3.456 10.105 ( 5.263 0.000 -8.610) 10.091 10.458 ( 1.465 0.000 -9.001) 9.119 10.482 ( 1.025 0.000 -8.608) 8.668 10.574 ( -2.299 0.000 1.560) 2.778 10.663 ( 0.303 0.000 2.878) 2.894 10.761 ( -1.005 0.000 1.030) 1.439 10.776 ( -3.484 0.000 -6.446) 7.327 10.810 ( -2.158 0.000 1.050) 2.400 11.031 ( -0.745 0.000 -0.764) 1.067 11.084 ( -2.219 0.000 2.283) 3.184 11.319 ( -9.822 0.000 -0.095) 9.822 11.577 ( -13.875 0.000 -0.148) 13.876 11.611 ( 0.572 0.000 -1.114) 1.252 11.702 ( 2.558 0.000 -4.051) 4.792 11.793 ( 8.127 0.000 2.896) 8.627 11.916 ( -3.809 0.000 -0.782) 3.889 12.103 ( 7.182 0.000 3.382) 7.939 12.202 ( 2.724 0.000 -4.327) 5.113 12.324 ( 5.453 0.000 2.271) 5.907 12.409 ( 2.722 0.000 -1.481) 3.099 12.639 ( 1.814 0.000 2.781) 3.321 12.768 ( 1.353 0.000 -0.552) 1.461 12.831 ( 2.461 0.000 8.600) 8.945 12.891 ( 1.358 0.000 0.831) 1.592 12.938 ( 3.275 0.000 -0.986) 3.420 13.166 ( 0.785 0.000 0.109) 0.792 13.230 ( -0.491 0.000 -0.718) 0.870 13.343 ( 0.827 0.000 1.878) 2.052 13.373 ( 3.348 0.000 -1.846) 3.823 13.445 ( -3.605 0.000 -0.721) 3.676 13.566 ( 3.422 0.000 -4.267) 5.470 13.581 ( 6.141 0.000 -2.911) 6.796 13.790 ( 3.086 0.000 -1.374) 3.378 13.944 ( 1.987 0.000 -6.578) 6.872 14.063 ( 5.728 0.000 -1.238) 5.860 14.230 ( -1.233 0.000 0.337) 1.279 14.246 ( 1.212 0.000 6.147) 6.265 14.271 ( 3.735 0.000 -4.225) 5.639 14.350 ( -2.614 0.000 6.416) 6.928 14.809 ( 0.404 0.000 -0.919) 1.004 14.912 ( 1.857 0.000 0.540) 1.934 15.138 ( -0.036 0.000 -4.664) 4.664 15.214 ( -4.403 0.000 2.177) 4.912 15.410 ( 2.437 0.000 -4.673) 5.270 15.469 ( -2.416 0.000 4.928) 5.488 15.498 ( -1.261 0.000 0.213) 1.279 15.570 ( -1.764 0.000 3.123) 3.587 ======================= Grid point 58 (22/117) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( 42.184 0.000 9.204) 43.176 3.557 ( 37.850 0.000 25.319) 45.538 4.122 ( 13.887 0.000 8.506) 16.284 4.232 ( 13.057 0.000 6.052) 14.391 4.424 ( 18.828 0.000 -9.834) 21.242 4.526 ( 20.946 0.000 -9.550) 23.021 5.167 ( 19.713 0.000 -3.659) 20.049 5.290 ( -4.041 0.000 -26.273) 26.582 5.416 ( -3.862 0.000 -29.596) 29.847 5.454 ( 35.286 0.000 20.483) 40.800 5.934 ( -2.016 0.000 -8.533) 8.768 5.941 ( -2.495 0.000 -20.868) 21.017 6.142 ( 9.074 0.000 -12.766) 15.662 6.221 ( -4.339 0.000 -6.695) 7.978 6.402 ( -2.725 0.000 1.556) 3.138 6.409 ( -5.560 0.000 3.629) 6.639 6.522 ( -4.844 0.000 -4.172) 6.393 6.624 ( -5.403 0.000 -1.008) 5.496 6.811 ( -1.848 0.000 -2.145) 2.831 6.955 ( -6.067 0.000 4.528) 7.571 7.236 ( -16.327 0.000 -4.728) 16.998 7.319 ( -9.393 0.000 11.319) 14.709 7.413 ( -3.334 0.000 -3.857) 5.099 7.553 ( -9.084 0.000 -0.643) 9.107 7.668 ( 1.113 0.000 2.755) 2.971 7.724 ( -1.739 0.000 -5.107) 5.395 7.782 ( -8.536 0.000 11.172) 14.060 8.003 ( -0.728 0.000 2.658) 2.756 8.043 ( -5.849 0.000 7.113) 9.209 8.307 ( 1.513 0.000 3.494) 3.808 8.496 ( 0.286 0.000 18.361) 18.363 8.695 ( 1.123 0.000 11.844) 11.897 8.728 ( 3.063 0.000 7.693) 8.281 8.933 ( 1.027 0.000 4.878) 4.984 8.954 ( -1.353 0.000 9.367) 9.465 9.160 ( -2.253 0.000 -4.384) 4.929 9.473 ( -2.422 0.000 0.075) 2.423 9.709 ( -5.551 0.000 4.300) 7.021 9.715 ( 2.069 0.000 -1.677) 2.663 9.758 ( -0.935 0.000 1.884) 2.104 9.905 ( -5.495 0.000 6.925) 8.840 9.996 ( -5.232 0.000 3.186) 6.125 10.050 ( 2.739 0.000 -4.084) 4.917 10.244 ( 9.557 0.000 -7.932) 12.420 10.326 ( -11.846 0.000 -8.597) 14.637 10.443 ( -2.025 0.000 -5.148) 5.532 10.541 ( -3.530 0.000 -0.380) 3.550 10.648 ( -2.933 0.000 3.257) 4.383 10.670 ( -3.971 0.000 -4.587) 6.067 10.746 ( -0.681 0.000 0.097) 0.688 10.783 ( -0.680 0.000 0.522) 0.858 10.990 ( -1.413 0.000 -1.701) 2.212 11.084 ( -11.583 0.000 2.396) 11.828 11.131 ( 5.161 0.000 -0.244) 5.167 11.312 ( -9.415 0.000 -1.905) 9.606 11.618 ( 1.498 0.000 -3.792) 4.077 11.709 ( -0.012 0.000 -3.804) 3.804 11.915 ( 2.793 0.000 0.519) 2.841 11.963 ( 7.907 0.000 2.032) 8.164 12.234 ( 4.410 0.000 3.370) 5.550 12.256 ( 3.774 0.000 -3.088) 4.876 12.431 ( 0.526 0.000 -2.800) 2.849 12.467 ( 7.623 0.000 3.104) 8.231 12.680 ( 0.970 0.000 3.588) 3.717 12.809 ( 3.181 0.000 -2.065) 3.792 12.902 ( 0.085 0.000 8.375) 8.375 12.933 ( 2.041 0.000 1.565) 2.572 12.980 ( 1.917 0.000 -1.659) 2.535 13.200 ( -1.988 0.000 -1.833) 2.704 13.204 ( 2.670 0.000 1.093) 2.885 13.353 ( -0.444 0.000 -0.028) 0.445 13.384 ( -2.254 0.000 0.608) 2.335 13.454 ( 4.801 0.000 -0.375) 4.816 13.627 ( 3.844 0.000 -3.822) 5.421 13.686 ( 4.473 0.000 -0.225) 4.478 13.834 ( 1.833 0.000 -0.759) 1.984 13.953 ( 1.302 0.000 -6.186) 6.322 14.159 ( 4.066 0.000 -0.426) 4.088 14.194 ( -1.540 0.000 -2.796) 3.192 14.291 ( 1.535 0.000 3.239) 3.584 14.329 ( -2.331 0.000 7.308) 7.670 14.335 ( 3.992 0.000 -3.745) 5.473 14.811 ( 0.261 0.000 -1.514) 1.537 14.946 ( 1.378 0.000 0.016) 1.378 15.121 ( -0.874 0.000 -3.212) 3.329 15.133 ( -2.784 0.000 -0.792) 2.895 15.397 ( -2.215 0.000 -3.370) 4.033 15.465 ( 1.729 0.000 2.502) 3.042 15.507 ( 0.868 0.000 0.907) 1.255 15.557 ( -1.009 0.000 3.836) 3.966 ======================= Grid point 59 (23/117) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.115 ( 38.944 0.000 3.316) 39.085 4.351 ( 31.557 0.000 17.327) 36.001 4.514 ( 21.733 0.000 5.274) 22.364 4.586 ( 19.876 0.000 6.875) 21.032 4.751 ( 18.217 0.000 -13.494) 22.671 4.901 ( 20.366 0.000 -14.510) 25.006 5.093 ( -4.111 0.000 -19.076) 19.514 5.223 ( 2.209 0.000 -18.011) 18.146 5.335 ( 4.257 0.000 -18.947) 19.420 5.882 ( 4.408 0.000 -11.777) 12.575 5.910 ( 0.782 0.000 -2.500) 2.620 6.076 ( -0.437 0.000 1.517) 1.579 6.115 ( -2.211 0.000 -10.138) 10.377 6.281 ( 0.660 0.000 4.047) 4.101 6.303 ( -5.914 0.000 3.218) 6.733 6.380 ( -1.523 0.000 1.080) 1.867 6.425 ( -2.515 0.000 -4.905) 5.512 6.461 ( -3.413 0.000 -9.071) 9.692 6.796 ( -10.985 0.000 3.010) 11.390 6.902 ( -14.394 0.000 -3.233) 14.753 6.933 ( 20.923 0.000 13.791) 25.059 7.229 ( -1.514 0.000 8.714) 8.844 7.342 ( -11.739 0.000 1.082) 11.789 7.409 ( 6.945 0.000 -9.907) 12.099 7.600 ( -10.344 0.000 2.118) 10.558 7.642 ( -3.703 0.000 -7.831) 8.662 7.688 ( 0.702 0.000 -2.492) 2.589 7.877 ( -12.472 0.000 10.253) 16.146 8.004 ( -0.232 0.000 3.825) 3.832 8.408 ( 5.258 0.000 6.756) 8.561 8.551 ( -4.163 0.000 20.427) 20.847 8.737 ( -2.567 0.000 7.601) 8.023 8.795 ( -0.381 0.000 6.922) 6.933 9.024 ( -1.908 0.000 3.088) 3.630 9.033 ( 5.112 0.000 8.477) 9.899 9.063 ( -2.352 0.000 0.686) 2.450 9.399 ( -4.904 0.000 2.785) 5.640 9.562 ( -11.147 0.000 1.290) 11.222 9.645 ( -12.525 0.000 1.730) 12.644 9.734 ( -1.877 0.000 2.728) 3.311 9.805 ( -5.991 0.000 4.151) 7.288 9.901 ( -2.566 0.000 -3.718) 4.518 9.978 ( -12.945 0.000 -5.165) 13.937 10.117 ( 4.764 0.000 -2.071) 5.195 10.363 ( 2.713 0.000 -5.126) 5.800 10.380 ( -2.957 0.000 1.282) 3.223 10.420 ( -5.268 0.000 2.956) 6.040 10.587 ( -4.050 0.000 2.327) 4.671 10.595 ( -2.088 0.000 -3.080) 3.721 10.723 ( -1.727 0.000 0.192) 1.738 10.807 ( 2.266 0.000 0.216) 2.277 10.979 ( -0.580 0.000 3.102) 3.156 10.981 ( 1.216 0.000 -1.771) 2.148 11.205 ( -1.302 0.000 -1.515) 1.997 11.256 ( 7.330 0.000 -2.918) 7.889 11.640 ( 2.052 0.000 -4.449) 4.900 11.693 ( -0.319 0.000 -0.241) 0.400 11.989 ( 3.914 0.000 0.488) 3.945 12.123 ( 7.287 0.000 1.553) 7.450 12.296 ( 0.700 0.000 1.307) 1.482 12.318 ( 3.232 0.000 -1.459) 3.546 12.428 ( 0.657 0.000 -1.523) 1.658 12.643 ( 8.366 0.000 3.524) 9.078 12.702 ( -0.590 0.000 3.962) 4.005 12.865 ( 2.897 0.000 -2.256) 3.672 12.869 ( -4.360 0.000 0.705) 4.417 12.978 ( 1.743 0.000 1.761) 2.477 13.019 ( 1.471 0.000 0.488) 1.550 13.133 ( -4.035 0.000 -2.415) 4.703 13.268 ( 2.677 0.000 2.162) 3.441 13.320 ( -1.448 0.000 -2.305) 2.722 13.373 ( -0.117 0.000 2.592) 2.595 13.550 ( 4.598 0.000 0.548) 4.631 13.667 ( 1.289 0.000 -3.402) 3.638 13.747 ( 1.566 0.000 0.515) 1.649 13.859 ( 0.628 0.000 0.919) 1.113 13.952 ( 1.289 0.000 -5.095) 5.256 14.149 ( -1.731 0.000 -4.269) 4.606 14.217 ( 1.984 0.000 -0.522) 2.052 14.318 ( -1.090 0.000 5.157) 5.271 14.322 ( 0.548 0.000 1.029) 1.165 14.395 ( 3.373 0.000 -3.852) 5.120 14.809 ( 0.129 0.000 -1.456) 1.461 14.964 ( 0.581 0.000 -1.032) 1.185 15.070 ( -1.809 0.000 1.176) 2.157 15.124 ( 1.161 0.000 -4.257) 4.413 15.344 ( -1.851 0.000 -1.888) 2.644 15.518 ( 1.863 0.000 1.921) 2.676 15.530 ( 1.711 0.000 -0.198) 1.722 15.559 ( -0.484 0.000 4.449) 4.475 ======================= Grid point 60 (24/117) ======================= q-point: ( 0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.751 ( 1.174 0.000 -6.356) 6.464 4.796 ( 25.866 0.000 -2.122) 25.953 4.957 ( 14.703 0.000 -3.662) 15.153 4.981 ( 6.090 0.000 -0.721) 6.132 5.051 ( 13.519 0.000 -4.745) 14.327 5.121 ( 2.064 0.000 -12.759) 12.925 5.147 ( 23.835 0.000 16.684) 29.094 5.223 ( 15.981 0.000 -10.413) 19.074 5.416 ( 8.843 0.000 -8.193) 12.055 5.876 ( -2.144 0.000 -5.204) 5.628 5.891 ( -15.620 0.000 1.898) 15.735 5.994 ( 2.967 0.000 -2.778) 4.064 6.056 ( 0.214 0.000 -10.689) 10.691 6.103 ( 3.328 0.000 -10.041) 10.578 6.253 ( 0.346 0.000 3.269) 3.288 6.364 ( 0.349 0.000 7.296) 7.304 6.434 ( 4.950 0.000 -0.532) 4.978 6.475 ( -0.139 0.000 -3.829) 3.832 6.569 ( -12.915 0.000 1.840) 13.046 6.672 ( -5.876 0.000 3.422) 6.800 7.082 ( -2.396 0.000 3.395) 4.156 7.129 ( -8.433 0.000 -3.611) 9.174 7.300 ( 3.030 0.000 -14.134) 14.455 7.422 ( -4.830 0.000 -4.696) 6.737 7.562 ( -1.833 0.000 -8.417) 8.614 7.601 ( -10.724 0.000 2.531) 11.018 7.641 ( -0.890 0.000 2.463) 2.619 8.011 ( -1.918 0.000 7.218) 7.469 8.045 ( 34.320 0.000 7.862) 35.209 8.472 ( -10.554 0.000 13.761) 17.342 8.538 ( 4.511 0.000 6.990) 8.320 8.597 ( -30.979 0.000 2.829) 31.107 8.706 ( -12.780 0.000 -7.888) 15.018 8.785 ( -3.691 0.000 6.899) 7.825 8.907 ( -5.229 0.000 -5.928) 7.904 9.090 ( -1.645 0.000 5.365) 5.612 9.359 ( -1.268 0.000 2.831) 3.102 9.425 ( -3.534 0.000 3.859) 5.233 9.569 ( 2.141 0.000 12.942) 13.118 9.635 ( -6.341 0.000 0.103) 6.342 9.693 ( -7.044 0.000 2.994) 7.654 9.839 ( -1.749 0.000 -0.676) 1.875 9.897 ( 1.708 0.000 -0.853) 1.909 10.210 ( 5.032 0.000 -1.089) 5.149 10.259 ( -4.650 0.000 1.120) 4.783 10.358 ( -0.336 0.000 5.560) 5.570 10.483 ( 5.228 0.000 -1.809) 5.532 10.509 ( -4.242 0.000 0.113) 4.244 10.566 ( 0.185 0.000 -0.238) 0.302 10.695 ( -1.086 0.000 1.847) 2.143 10.839 ( 1.060 0.000 -1.777) 2.070 11.011 ( 2.015 0.000 -1.613) 2.581 11.028 ( 2.234 0.000 5.877) 6.287 11.209 ( 1.094 0.000 -0.486) 1.197 11.375 ( 5.346 0.000 -3.260) 6.261 11.651 ( 0.724 0.000 -4.301) 4.361 11.708 ( 1.440 0.000 3.619) 3.895 12.060 ( 2.481 0.000 1.802) 3.066 12.245 ( 2.719 0.000 0.626) 2.790 12.292 ( 0.564 0.000 -0.716) 0.912 12.373 ( 2.521 0.000 0.621) 2.596 12.445 ( 0.889 0.000 0.214) 0.914 12.671 ( -4.110 0.000 2.487) 4.804 12.781 ( 1.775 0.000 0.711) 1.913 12.781 ( -3.210 0.000 -2.265) 3.929 12.910 ( 3.583 0.000 0.495) 3.617 13.008 ( -1.772 0.000 -1.215) 2.149 13.020 ( -1.176 0.000 -1.263) 1.726 13.039 ( -1.263 0.000 -0.265) 1.291 13.294 ( -0.285 0.000 -1.188) 1.222 13.314 ( 0.768 0.000 2.325) 2.449 13.389 ( 0.723 0.000 2.336) 2.445 13.617 ( 0.585 0.000 -1.703) 1.801 13.670 ( 1.593 0.000 -0.477) 1.663 13.757 ( -0.369 0.000 -0.308) 0.481 13.877 ( 0.869 0.000 2.794) 2.926 13.966 ( 1.955 0.000 -5.425) 5.766 14.088 ( -2.409 0.000 -4.150) 4.798 14.236 ( 0.283 0.000 -1.383) 1.412 14.322 ( -0.635 0.000 -0.048) 0.637 14.328 ( 0.134 0.000 3.092) 3.095 14.430 ( 1.740 0.000 -4.487) 4.813 14.807 ( 0.364 0.000 -1.259) 1.310 14.956 ( -0.656 0.000 -2.453) 2.539 15.068 ( 0.665 0.000 2.458) 2.546 15.139 ( 1.789 0.000 -2.722) 3.257 15.309 ( -1.037 0.000 -1.310) 1.671 15.526 ( -0.293 0.000 -1.473) 1.502 15.573 ( -0.152 0.000 5.166) 5.168 15.589 ( 2.672 0.000 2.704) 3.802 ======================= Grid point 61 (25/117) ======================= q-point: (-0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.470 ( -22.291 0.000 -5.189) 22.887 4.649 ( -26.817 0.000 -8.169) 28.033 4.937 ( -12.850 0.000 0.036) 12.850 4.996 ( -11.542 0.000 5.450) 12.764 5.196 ( 7.548 0.000 -4.856) 8.975 5.466 ( 14.609 0.000 -3.268) 14.970 5.507 ( 1.401 0.000 0.024) 1.401 5.593 ( 24.508 0.000 3.464) 24.752 5.660 ( 15.459 0.000 2.440) 15.650 5.835 ( 10.958 0.000 0.796) 10.987 5.904 ( -5.644 0.000 -1.918) 5.961 5.961 ( 9.574 0.000 3.179) 10.088 6.041 ( 6.353 0.000 -0.341) 6.362 6.218 ( 6.446 0.000 -7.285) 9.728 6.294 ( 1.690 0.000 2.641) 3.135 6.376 ( -3.681 0.000 -3.046) 4.778 6.413 ( -4.130 0.000 -4.252) 5.927 6.564 ( 10.717 0.000 -6.220) 12.392 6.580 ( 15.971 0.000 14.450) 21.538 6.776 ( 9.634 0.000 9.675) 13.653 6.999 ( -1.630 0.000 -3.164) 3.559 7.038 ( -1.539 0.000 -5.959) 6.155 7.245 ( -5.531 0.000 -14.417) 15.441 7.387 ( -12.270 0.000 -9.761) 15.679 7.407 ( 5.088 0.000 -3.396) 6.117 7.463 ( -19.652 0.000 -0.408) 19.656 7.495 ( -1.503 0.000 -8.557) 8.688 7.831 ( -25.060 0.000 1.006) 25.080 7.968 ( -5.257 0.000 6.296) 8.202 8.244 ( -9.368 0.000 5.110) 10.672 8.400 ( -4.600 0.000 -9.727) 10.760 8.605 ( -3.655 0.000 9.649) 10.318 8.714 ( -2.352 0.000 2.515) 3.443 8.788 ( -4.161 0.000 2.897) 5.070 8.961 ( 27.757 0.000 -3.037) 27.923 9.091 ( -1.831 0.000 4.397) 4.763 9.304 ( -2.464 0.000 -0.158) 2.469 9.359 ( -3.757 0.000 2.960) 4.783 9.553 ( -1.466 0.000 -1.804) 2.325 9.558 ( -6.915 0.000 3.280) 7.654 9.661 ( 2.764 0.000 1.670) 3.230 9.905 ( 6.864 0.000 9.386) 11.628 9.932 ( 1.504 0.000 2.278) 2.730 10.253 ( 3.051 0.000 -0.304) 3.066 10.300 ( 3.675 0.000 1.193) 3.863 10.380 ( -1.737 0.000 -0.268) 1.757 10.451 ( 0.572 0.000 2.592) 2.654 10.561 ( 2.817 0.000 2.302) 3.638 10.628 ( 5.912 0.000 0.274) 5.919 10.700 ( 0.511 0.000 3.015) 3.058 10.838 ( -0.307 0.000 -1.929) 1.953 11.037 ( 1.090 0.000 -0.938) 1.439 11.078 ( -0.254 0.000 7.237) 7.241 11.224 ( 0.428 0.000 0.590) 0.729 11.419 ( -0.425 0.000 -1.495) 1.555 11.639 ( 0.090 0.000 -4.940) 4.940 11.781 ( 3.552 0.000 6.554) 7.454 12.094 ( -0.346 0.000 3.392) 3.409 12.213 ( -3.676 0.000 -0.832) 3.769 12.307 ( -2.052 0.000 0.372) 2.086 12.423 ( 1.696 0.000 2.913) 3.371 12.456 ( 0.358 0.000 -1.000) 1.062 12.605 ( -1.587 0.000 -0.605) 1.699 12.703 ( -6.985 0.000 -1.600) 7.165 12.708 ( -3.544 0.000 -3.336) 4.867 12.900 ( -5.011 0.000 -4.116) 6.485 12.981 ( -1.517 0.000 -2.065) 2.562 13.003 ( 2.000 0.000 3.665) 4.175 13.091 ( 4.035 0.000 0.112) 4.036 13.299 ( 0.919 0.000 0.015) 0.919 13.315 ( -1.411 0.000 1.822) 2.305 13.419 ( 1.154 0.000 2.863) 3.087 13.576 ( -2.616 0.000 -1.780) 3.164 13.707 ( 0.938 0.000 -1.118) 1.460 13.740 ( -0.738 0.000 -1.358) 1.546 13.919 ( 1.600 0.000 4.411) 4.692 13.974 ( 1.135 0.000 -7.631) 7.715 14.045 ( 0.326 0.000 -2.062) 2.087 14.215 ( -1.605 0.000 -2.536) 3.001 14.303 ( -1.011 0.000 -0.527) 1.140 14.335 ( -0.770 0.000 2.452) 2.570 14.427 ( -0.251 0.000 -5.010) 5.016 14.818 ( 1.287 0.000 -0.667) 1.450 14.925 ( -1.180 0.000 -2.896) 3.128 15.100 ( 1.154 0.000 2.668) 2.907 15.173 ( 2.389 0.000 -0.936) 2.565 15.289 ( -0.516 0.000 -1.271) 1.372 15.499 ( -1.625 0.000 -2.406) 2.904 15.593 ( -0.139 0.000 6.070) 6.072 15.646 ( 1.687 0.000 3.510) 3.894 ======================= Grid point 62 (26/117) ======================= q-point: (-0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( -35.430 0.000 0.860) 35.441 3.963 ( -38.791 0.000 -4.705) 39.075 4.539 ( -23.120 0.000 4.456) 23.546 4.679 ( -19.419 0.000 7.203) 20.712 5.213 ( -8.938 0.000 2.695) 9.335 5.279 ( -17.726 0.000 -4.447) 18.276 5.687 ( -3.365 0.000 -7.293) 8.032 5.808 ( 13.894 0.000 3.977) 14.452 5.864 ( -36.916 0.000 1.576) 36.950 5.865 ( 10.799 0.000 -6.614) 12.664 6.049 ( 7.942 0.000 10.264) 12.978 6.089 ( 3.387 0.000 10.961) 11.473 6.279 ( 4.915 0.000 -11.455) 12.466 6.312 ( 19.751 0.000 -2.021) 19.854 6.416 ( 9.342 0.000 0.207) 9.344 6.420 ( 10.158 0.000 0.095) 10.158 6.498 ( 16.926 0.000 15.362) 22.858 6.725 ( 6.798 0.000 -13.650) 15.249 6.770 ( -14.784 0.000 -5.669) 15.834 6.899 ( -0.310 0.000 -1.508) 1.539 6.964 ( 10.952 0.000 2.355) 11.203 7.044 ( 12.915 0.000 1.051) 12.958 7.162 ( 11.468 0.000 14.919) 18.817 7.169 ( 0.750 0.000 -22.059) 22.072 7.339 ( -1.769 0.000 0.995) 2.029 7.409 ( -4.681 0.000 -6.020) 7.626 7.508 ( -13.867 0.000 0.425) 13.873 7.583 ( 10.481 0.000 2.749) 10.836 7.889 ( -1.095 0.000 0.904) 1.420 8.089 ( -7.987 0.000 -13.847) 15.985 8.308 ( 2.512 0.000 -1.973) 3.194 8.504 ( -6.300 0.000 5.997) 8.698 8.700 ( -2.957 0.000 3.408) 4.512 8.729 ( -1.432 0.000 4.673) 4.887 9.004 ( -6.592 0.000 3.128) 7.296 9.289 ( -3.496 0.000 -0.496) 3.531 9.335 ( 4.254 0.000 -0.259) 4.262 9.342 ( 7.975 0.000 -5.627) 9.761 9.481 ( 1.589 0.000 -2.950) 3.350 9.571 ( 4.524 0.000 -3.551) 5.751 9.736 ( 4.006 0.000 2.145) 4.544 9.978 ( 1.818 0.000 4.601) 4.947 10.198 ( 17.938 0.000 6.248) 18.995 10.287 ( -4.857 0.000 -4.098) 6.355 10.317 ( 2.865 0.000 -0.405) 2.893 10.367 ( 2.378 0.000 0.228) 2.389 10.514 ( 2.870 0.000 1.239) 3.126 10.641 ( 4.025 0.000 3.348) 5.236 10.741 ( 2.123 0.000 4.295) 4.791 10.748 ( 2.689 0.000 1.717) 3.191 10.836 ( 3.496 0.000 -1.900) 3.979 11.047 ( 0.188 0.000 -0.543) 0.575 11.078 ( -2.518 0.000 7.789) 8.186 11.243 ( 1.485 0.000 1.116) 1.858 11.353 ( -5.466 0.000 0.970) 5.552 11.605 ( -1.648 0.000 -6.341) 6.552 11.888 ( 3.913 0.000 7.881) 8.799 12.061 ( -4.802 0.000 3.842) 6.150 12.101 ( -7.555 0.000 0.432) 7.567 12.224 ( -4.966 0.000 -1.262) 5.124 12.446 ( -0.582 0.000 -4.179) 4.219 12.458 ( 0.027 0.000 4.699) 4.699 12.550 ( -3.746 0.000 -4.440) 5.809 12.555 ( -6.465 0.000 -0.128) 6.467 12.669 ( 1.147 0.000 0.221) 1.168 12.771 ( -6.125 0.000 -4.984) 7.896 12.945 ( -1.467 0.000 -2.504) 2.902 13.020 ( -0.945 0.000 2.520) 2.691 13.165 ( 2.835 0.000 -0.406) 2.863 13.282 ( -2.321 0.000 1.481) 2.753 13.327 ( 1.576 0.000 0.812) 1.772 13.451 ( 0.490 0.000 3.381) 3.416 13.518 ( -2.472 0.000 -0.704) 2.570 13.687 ( -1.754 0.000 -2.981) 3.458 13.724 ( -0.275 0.000 -1.386) 1.413 13.942 ( -0.673 0.000 -7.897) 7.925 13.961 ( 0.638 0.000 3.100) 3.165 14.096 ( 4.294 0.000 0.173) 4.297 14.153 ( -3.183 0.000 -3.949) 5.073 14.281 ( -1.092 0.000 -0.204) 1.111 14.313 ( -2.395 0.000 2.613) 3.545 14.375 ( -2.899 0.000 -5.221) 5.972 14.851 ( 1.839 0.000 0.402) 1.882 14.893 ( -0.740 0.000 -2.853) 2.947 15.131 ( 1.085 0.000 2.047) 2.316 15.223 ( 2.461 0.000 0.736) 2.568 15.280 ( 0.293 0.000 -1.722) 1.747 15.449 ( -2.101 0.000 -2.781) 3.486 15.614 ( -0.437 0.000 6.770) 6.785 15.681 ( 0.219 0.000 3.909) 3.915 ======================= Grid point 63 (27/117) ======================= q-point: (-0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( -46.908 0.000 -3.660) 47.051 3.101 ( -43.616 0.000 7.304) 44.223 4.149 ( -17.561 0.000 8.554) 19.533 4.358 ( -15.295 0.000 10.269) 18.422 4.699 ( -61.393 0.000 8.696) 62.005 4.860 ( -21.685 0.000 -1.112) 21.714 4.930 ( -25.911 0.000 6.911) 26.817 5.715 ( 4.009 0.000 -4.473) 6.006 6.031 ( 7.500 0.000 -1.424) 7.634 6.066 ( 8.247 0.000 0.909) 8.297 6.174 ( 7.438 0.000 -4.761) 8.832 6.189 ( 1.595 0.000 6.855) 7.038 6.328 ( 5.098 0.000 -15.790) 16.592 6.528 ( -8.590 0.000 -8.996) 12.438 6.546 ( 4.197 0.000 -2.108) 4.696 6.555 ( 2.672 0.000 -0.094) 2.674 6.681 ( -3.909 0.000 12.647) 13.238 6.700 ( 5.929 0.000 10.676) 12.211 6.862 ( -3.998 0.000 -8.770) 9.638 7.007 ( 17.766 0.000 -1.853) 17.862 7.056 ( 7.137 0.000 -19.905) 21.146 7.149 ( 1.286 0.000 10.518) 10.596 7.256 ( 3.157 0.000 -7.403) 8.048 7.293 ( 0.385 0.000 6.473) 6.485 7.413 ( 9.996 0.000 -5.651) 11.483 7.440 ( 10.743 0.000 3.553) 11.315 7.482 ( 9.518 0.000 16.798) 19.308 7.725 ( 5.302 0.000 -1.020) 5.399 7.881 ( -1.761 0.000 -19.876) 19.954 8.069 ( 13.303 0.000 9.834) 16.543 8.416 ( 4.532 0.000 6.658) 8.055 8.487 ( 4.957 0.000 2.597) 5.596 8.618 ( -6.565 0.000 5.857) 8.798 8.787 ( 5.913 0.000 0.902) 5.982 8.884 ( -5.757 0.000 -0.622) 5.791 9.194 ( -4.379 0.000 -3.641) 5.694 9.356 ( -0.276 0.000 -4.841) 4.849 9.451 ( 7.662 0.000 -1.172) 7.751 9.577 ( 6.261 0.000 -5.209) 8.145 9.662 ( 4.892 0.000 -4.354) 6.549 9.818 ( 3.507 0.000 0.775) 3.592 10.046 ( 2.653 0.000 7.283) 7.751 10.160 ( -4.867 0.000 -9.353) 10.543 10.350 ( 0.898 0.000 1.044) 1.378 10.403 ( 0.826 0.000 1.880) 2.053 10.525 ( 8.911 0.000 2.630) 9.291 10.563 ( 2.520 0.000 -2.797) 3.764 10.694 ( -1.754 0.000 -1.424) 2.259 10.804 ( 1.569 0.000 5.022) 5.262 10.812 ( 10.495 0.000 -2.527) 10.795 10.961 ( 6.159 0.000 0.896) 6.224 11.029 ( -1.800 0.000 -1.724) 2.493 11.063 ( -1.706 0.000 9.028) 9.188 11.245 ( -5.206 0.000 3.692) 6.382 11.304 ( 4.709 0.000 -1.691) 5.003 11.515 ( -4.111 0.000 -8.448) 9.395 11.931 ( -9.097 0.000 0.319) 9.102 11.937 ( -8.262 0.000 2.809) 8.727 11.986 ( 2.444 0.000 7.560) 7.945 12.111 ( -5.863 0.000 -1.792) 6.131 12.404 ( -0.777 0.000 -6.627) 6.673 12.423 ( -4.556 0.000 2.039) 4.991 12.474 ( -2.322 0.000 -2.519) 3.426 12.497 ( -1.135 0.000 6.914) 7.007 12.618 ( -6.565 0.000 -6.888) 9.516 12.703 ( 1.239 0.000 1.419) 1.884 12.896 ( -2.280 0.000 -3.116) 3.860 13.005 ( -1.255 0.000 2.416) 2.723 13.196 ( 0.537 0.000 -0.751) 0.923 13.243 ( -2.030 0.000 1.321) 2.422 13.361 ( 1.436 0.000 0.636) 1.571 13.459 ( -0.885 0.000 2.467) 2.621 13.476 ( -1.610 0.000 0.473) 1.678 13.631 ( -2.274 0.000 -3.187) 3.914 13.715 ( -0.528 0.000 -0.229) 0.575 13.882 ( -2.089 0.000 -8.293) 8.552 13.972 ( -0.534 0.000 1.741) 1.821 14.060 ( -4.232 0.000 -5.636) 7.048 14.187 ( 4.312 0.000 -0.623) 4.357 14.259 ( -0.890 0.000 -2.057) 2.242 14.272 ( -2.651 0.000 4.409) 5.144 14.278 ( -4.652 0.000 -1.570) 4.910 14.872 ( -0.414 0.000 -2.397) 2.432 14.882 ( 0.602 0.000 1.384) 1.510 15.162 ( 1.454 0.000 1.198) 1.884 15.269 ( 1.428 0.000 1.873) 2.355 15.290 ( 1.607 0.000 -2.299) 2.805 15.404 ( -1.092 0.000 -2.368) 2.608 15.631 ( -0.595 0.000 6.795) 6.821 15.688 ( -1.036 0.000 3.867) 4.004 ======================= Grid point 64 (28/117) ======================= q-point: (-0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -50.894 0.000 0.058) 50.894 2.239 ( -46.838 0.000 17.819) 50.113 3.411 ( -69.897 0.000 29.056) 75.696 3.948 ( -8.141 0.000 12.040) 14.534 4.174 ( -8.396 0.000 13.343) 15.765 4.449 ( -18.537 0.000 1.359) 18.587 4.527 ( -17.914 0.000 2.827) 18.136 5.735 ( -0.014 0.000 -10.103) 10.103 6.041 ( -1.128 0.000 -10.849) 10.907 6.151 ( -8.198 0.000 9.850) 12.815 6.214 ( 5.859 0.000 0.942) 5.935 6.290 ( -6.327 0.000 -6.185) 8.848 6.331 ( -22.578 0.000 7.042) 23.651 6.403 ( 14.641 0.000 -9.522) 17.465 6.430 ( 2.067 0.000 -8.577) 8.822 6.507 ( -8.365 0.000 -1.935) 8.586 6.633 ( 1.846 0.000 -9.381) 9.560 6.635 ( 2.331 0.000 0.087) 2.333 6.992 ( 9.457 0.000 0.638) 9.479 7.059 ( -0.937 0.000 4.299) 4.400 7.102 ( -9.676 0.000 -8.917) 13.158 7.231 ( 10.376 0.000 -10.669) 14.882 7.332 ( 6.399 0.000 6.263) 8.954 7.422 ( 0.911 0.000 12.256) 12.290 7.649 ( 12.733 0.000 4.457) 13.490 7.687 ( 11.117 0.000 -0.583) 11.133 7.800 ( 13.940 0.000 11.733) 18.220 7.902 ( 10.438 0.000 1.224) 10.510 7.936 ( 15.644 0.000 -12.530) 20.044 8.284 ( 4.699 0.000 3.452) 5.830 8.492 ( -6.852 0.000 5.851) 9.011 8.510 ( 1.969 0.000 8.719) 8.939 8.729 ( 7.298 0.000 9.469) 11.955 8.801 ( 4.431 0.000 -8.199) 9.320 8.917 ( 5.060 0.000 -1.217) 5.205 9.124 ( -0.190 0.000 -5.282) 5.285 9.328 ( 0.236 0.000 -7.097) 7.101 9.615 ( 8.773 0.000 -0.873) 8.816 9.660 ( 3.947 0.000 -1.445) 4.203 9.710 ( 1.805 0.000 -4.117) 4.496 9.889 ( 3.379 0.000 0.160) 3.383 10.020 ( -4.298 0.000 -9.181) 10.137 10.142 ( 3.160 0.000 4.624) 5.600 10.327 ( -5.279 0.000 3.349) 6.252 10.421 ( 0.330 0.000 2.541) 2.562 10.582 ( 0.310 0.000 -3.384) 3.398 10.584 ( -0.658 0.000 1.465) 1.606 10.688 ( 2.830 0.000 -4.052) 4.943 10.813 ( -2.359 0.000 2.816) 3.674 10.981 ( -1.624 0.000 -0.523) 1.706 11.002 ( 6.274 0.000 -6.648) 9.141 11.059 ( 3.817 0.000 -3.380) 5.099 11.112 ( 4.040 0.000 10.707) 11.444 11.204 ( -0.527 0.000 4.448) 4.480 11.385 ( 4.262 0.000 -7.971) 9.039 11.407 ( -2.203 0.000 -8.876) 9.145 11.760 ( -7.909 0.000 -0.019) 7.909 11.785 ( -7.385 0.000 1.707) 7.579 11.978 ( -6.716 0.000 -1.240) 6.830 12.038 ( -0.025 0.000 5.584) 5.584 12.335 ( -5.183 0.000 3.034) 6.006 12.360 ( -2.025 0.000 -4.143) 4.612 12.447 ( 1.209 0.000 -2.962) 3.199 12.463 ( -4.931 0.000 -8.431) 9.767 12.530 ( 0.724 0.000 9.909) 9.936 12.716 ( -0.717 0.000 1.780) 1.919 12.841 ( -1.597 0.000 -2.937) 3.343 12.992 ( -1.121 0.000 2.145) 2.421 13.182 ( -1.358 0.000 -0.728) 1.541 13.215 ( -1.091 0.000 0.528) 1.212 13.385 ( 0.562 0.000 0.733) 0.923 13.440 ( -1.250 0.000 -1.029) 1.619 13.457 ( -0.799 0.000 1.481) 1.683 13.578 ( -1.827 0.000 -2.378) 2.999 13.690 ( -2.251 0.000 0.459) 2.297 13.792 ( -3.619 0.000 -7.451) 8.283 13.941 ( -4.856 0.000 -7.242) 8.720 13.961 ( -0.539 0.000 -1.180) 1.298 14.182 ( -2.815 0.000 -2.910) 4.048 14.216 ( -0.738 0.000 0.059) 0.741 14.251 ( -0.959 0.000 3.387) 3.520 14.290 ( 2.277 0.000 4.267) 4.836 14.854 ( -0.629 0.000 -1.591) 1.711 14.881 ( -1.328 0.000 1.949) 2.358 15.198 ( 1.636 0.000 0.618) 1.749 15.289 ( -0.211 0.000 2.328) 2.338 15.320 ( 2.273 0.000 -3.003) 3.766 15.392 ( 0.512 0.000 -0.800) 0.950 15.645 ( -0.584 0.000 6.001) 6.029 15.675 ( -1.652 0.000 3.478) 3.851 ======================= Grid point 65 (29/117) ======================= q-point: (-0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -36.616 0.000 27.110) 45.560 1.464 ( -38.724 0.000 38.588) 54.668 2.231 ( -62.302 0.000 54.173) 82.560 3.889 ( -4.673 0.000 12.689) 13.522 4.042 ( -11.499 0.000 10.464) 15.547 4.219 ( -5.212 0.000 6.168) 8.075 4.268 ( -8.478 0.000 -0.004) 8.478 5.660 ( -1.338 0.000 -12.637) 12.708 5.863 ( -19.427 0.000 14.573) 24.285 5.944 ( -3.910 0.000 -13.848) 14.390 6.050 ( -10.973 0.000 4.451) 11.842 6.110 ( -3.720 0.000 -5.918) 6.991 6.297 ( 1.278 0.000 -2.018) 2.389 6.382 ( -1.011 0.000 -15.363) 15.396 6.478 ( 3.794 0.000 -0.205) 3.799 6.629 ( -0.460 0.000 -9.867) 9.877 6.635 ( 3.466 0.000 -14.343) 14.755 6.645 ( 6.183 0.000 0.489) 6.202 6.916 ( -3.174 0.000 -8.418) 8.997 7.136 ( 4.730 0.000 9.711) 10.802 7.150 ( 6.146 0.000 0.023) 6.146 7.357 ( 5.220 0.000 -1.089) 5.333 7.365 ( -0.190 0.000 4.987) 4.991 7.547 ( 5.577 0.000 11.751) 13.007 7.810 ( -6.789 0.000 14.150) 15.694 7.904 ( 10.506 0.000 -0.254) 10.509 7.937 ( 1.324 0.000 7.885) 7.996 8.069 ( 9.480 0.000 -2.557) 9.819 8.352 ( 21.074 0.000 -3.446) 21.354 8.373 ( 2.983 0.000 -1.422) 3.305 8.417 ( -0.263 0.000 3.278) 3.289 8.571 ( 1.478 0.000 5.431) 5.629 8.661 ( -3.262 0.000 -19.750) 20.018 8.948 ( -1.647 0.000 2.439) 2.943 9.005 ( 4.628 0.000 6.957) 8.356 9.098 ( -0.800 0.000 -7.875) 7.915 9.349 ( 5.856 0.000 -10.010) 11.598 9.708 ( -0.174 0.000 -3.695) 3.699 9.755 ( 5.123 0.000 3.481) 6.194 9.783 ( 7.606 0.000 -2.246) 7.931 9.921 ( -1.746 0.000 -7.962) 8.151 9.940 ( 1.397 0.000 0.977) 1.705 10.167 ( -11.341 0.000 5.184) 12.470 10.197 ( 0.143 0.000 4.910) 4.912 10.450 ( 1.612 0.000 5.273) 5.514 10.553 ( -1.280 0.000 -4.281) 4.468 10.594 ( 1.630 0.000 -3.158) 3.554 10.730 ( 1.928 0.000 -3.625) 4.106 10.771 ( -1.955 0.000 2.569) 3.228 10.885 ( -18.145 0.000 -26.249) 31.910 10.971 ( 0.169 0.000 2.143) 2.150 11.038 ( -2.976 0.000 1.640) 3.398 11.253 ( 3.438 0.000 3.429) 4.855 11.340 ( 13.007 0.000 11.563) 17.404 11.366 ( 0.553 0.000 -6.313) 6.337 11.431 ( 6.777 0.000 -6.592) 9.454 11.629 ( -4.676 0.000 0.106) 4.677 11.664 ( -4.957 0.000 2.158) 5.407 11.852 ( -4.902 0.000 0.422) 4.921 12.027 ( -2.888 0.000 2.144) 3.597 12.252 ( -4.135 0.000 2.705) 4.941 12.303 ( -1.778 0.000 -2.071) 2.729 12.353 ( -2.486 0.000 -7.281) 7.694 12.485 ( 3.131 0.000 -2.145) 3.795 12.638 ( 5.715 0.000 11.791) 13.103 12.698 ( -1.437 0.000 2.346) 2.751 12.817 ( 0.194 0.000 -2.413) 2.421 12.970 ( -1.413 0.000 0.180) 1.425 13.153 ( -0.908 0.000 0.384) 0.986 13.200 ( -0.427 0.000 -1.306) 1.374 13.357 ( -4.740 0.000 -2.162) 5.210 13.414 ( 0.658 0.000 -3.572) 3.632 13.446 ( -1.343 0.000 0.892) 1.612 13.547 ( -0.463 0.000 -0.565) 0.730 13.629 ( -3.507 0.000 1.074) 3.668 13.692 ( -2.790 0.000 -6.939) 7.480 13.848 ( -1.094 0.000 -4.147) 4.289 13.946 ( 0.041 0.000 -3.407) 3.407 14.141 ( -1.114 0.000 -0.194) 1.131 14.209 ( -0.329 0.000 2.446) 2.468 14.248 ( -0.827 0.000 3.578) 3.672 14.347 ( 1.894 0.000 2.442) 3.091 14.832 ( -1.167 0.000 -0.520) 1.278 14.852 ( -2.191 0.000 2.072) 3.016 15.223 ( 0.453 0.000 -0.629) 0.775 15.287 ( -0.713 0.000 3.010) 3.093 15.349 ( 1.820 0.000 -3.646) 4.075 15.413 ( 1.267 0.000 1.322) 1.831 15.651 ( -1.131 0.000 4.677) 4.812 15.651 ( -2.019 0.000 2.768) 3.426 ======================= Grid point 66 (30/117) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -5.838 26.943 36.318) 45.596 1.593 ( -6.542 35.666 43.684) 56.772 2.413 ( 6.655 54.716 59.170) 80.866 3.015 ( -3.118 -46.139 5.590) 46.580 3.260 ( -10.462 -48.432 13.573) 51.374 4.670 ( -3.500 35.658 8.384) 36.797 4.755 ( 3.787 -53.745 29.505) 61.428 4.912 ( -2.089 33.940 2.864) 34.124 5.591 ( 0.457 -2.857 -11.540) 11.897 5.860 ( 0.240 -0.891 -16.845) 16.870 5.917 ( -5.517 -6.247 -11.659) 14.332 6.036 ( -2.521 -18.439 -8.556) 20.483 6.194 ( -4.006 -0.937 -13.738) 14.341 6.305 ( -1.975 -4.420 -10.280) 11.363 6.395 ( -2.906 -7.154 -21.870) 23.193 6.513 ( -1.826 -8.139 -18.001) 19.839 6.843 ( 2.146 10.943 3.424) 11.665 6.904 ( -0.689 18.969 0.088) 18.982 7.082 ( 4.577 19.979 4.946) 21.085 7.224 ( 4.109 6.277 5.913) 9.552 7.367 ( 1.160 -4.228 3.908) 5.874 7.377 ( -4.927 2.256 11.098) 12.351 7.534 ( 1.389 11.503 -6.602) 13.336 7.606 ( -2.361 1.074 15.919) 16.129 7.718 ( 2.391 0.642 12.209) 12.457 7.991 ( -3.448 5.654 5.590) 8.666 8.092 ( 1.440 -4.015 -3.665) 5.623 8.221 ( 4.747 -0.123 -1.859) 5.099 8.274 ( -0.082 -0.969 -6.306) 6.380 8.430 ( -4.560 -1.260 -9.841) 10.919 8.514 ( -5.576 1.832 6.144) 8.497 8.556 ( 3.734 -1.374 -1.186) 4.152 8.638 ( 2.727 -10.142 0.370) 10.509 8.869 ( 4.265 1.101 0.677) 4.457 8.940 ( 4.516 -12.924 -0.687) 13.708 9.019 ( -0.778 -1.938 -7.333) 7.624 9.474 ( 5.118 1.908 -6.202) 8.264 9.641 ( -0.998 -7.662 -5.430) 9.444 9.710 ( -2.401 3.216 -2.416) 4.684 9.807 ( -3.548 -1.805 -3.004) 4.987 9.940 ( 3.956 -0.024 2.668) 4.772 9.962 ( 2.994 -0.565 5.492) 6.280 10.134 ( -6.704 9.153 -1.078) 11.396 10.213 ( -2.321 1.936 2.982) 4.246 10.291 ( -5.724 -1.036 2.646) 6.390 10.438 ( -0.501 -6.766 -4.368) 8.069 10.538 ( 0.957 2.206 2.699) 3.615 10.633 ( 1.078 -1.445 0.885) 2.008 10.800 ( 0.331 5.541 -1.157) 5.670 10.879 ( 0.136 5.665 0.642) 5.703 10.968 ( -3.042 -0.112 0.738) 3.132 11.108 ( -0.356 7.688 1.166) 7.784 11.230 ( 1.805 -5.602 -2.453) 6.376 11.383 ( 6.364 -3.697 6.970) 10.136 11.456 ( 2.100 -0.046 -2.453) 3.229 11.517 ( 3.065 -4.682 -2.285) 6.044 11.651 ( 0.344 1.838 -0.107) 1.873 11.679 ( 2.043 -1.728 -0.487) 2.720 11.935 ( 4.024 2.959 -4.001) 6.400 11.957 ( -2.537 0.617 0.962) 2.782 12.234 ( -0.338 2.184 -0.173) 2.217 12.285 ( 1.343 -1.423 -3.040) 3.615 12.315 ( -0.920 3.596 -0.890) 3.817 12.574 ( 2.107 -3.028 -0.675) 3.750 12.625 ( 0.627 0.197 6.312) 6.346 12.762 ( 1.375 -2.518 2.288) 3.669 12.846 ( 1.264 2.249 -2.635) 3.688 12.935 ( -0.645 -1.966 -2.313) 3.103 13.152 ( 1.922 -1.765 0.863) 2.748 13.164 ( 0.253 -1.752 -1.192) 2.134 13.298 ( 0.599 3.749 -1.112) 3.956 13.427 ( -1.202 1.946 0.181) 2.295 13.456 ( 1.233 1.894 -3.519) 4.182 13.486 ( -0.819 -4.447 -2.586) 5.209 13.596 ( -0.793 1.282 2.000) 2.504 13.722 ( 1.071 2.729 -0.389) 2.958 13.875 ( 1.493 0.452 -3.950) 4.247 13.912 ( 1.666 0.002 -3.775) 4.127 14.056 ( 0.062 -4.580 0.840) 4.657 14.129 ( -1.005 -6.292 0.915) 6.438 14.345 ( -0.279 5.388 2.498) 5.945 14.408 ( 0.141 1.647 2.813) 3.263 14.823 ( -0.479 0.459 1.323) 1.481 14.836 ( -0.376 0.442 1.000) 1.156 15.215 ( -1.355 1.720 -1.740) 2.796 15.285 ( -0.959 -0.721 1.968) 2.305 15.377 ( 1.323 0.928 -1.935) 2.521 15.432 ( 0.799 -1.274 2.504) 2.921 15.616 ( -2.521 0.245 2.003) 3.229 15.631 ( -2.139 -0.421 3.125) 3.810 ======================= Grid point 67 (31/117) ======================= q-point: ( 0.09 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 28.456 6.119 39.080) 48.728 1.855 ( 19.501 25.180 35.880) 47.976 3.010 ( 8.652 -43.770 2.780) 44.703 3.182 ( 5.593 -31.284 23.382) 39.454 3.286 ( 35.947 31.984 43.993) 65.197 4.668 ( 0.573 37.695 6.020) 38.177 4.848 ( -1.866 40.516 -0.090) 40.559 5.188 ( 20.824 -43.968 21.444) 53.166 5.542 ( -0.224 -2.094 -16.727) 16.859 5.739 ( -2.207 -2.920 -20.193) 20.523 5.830 ( 0.595 -6.714 -10.163) 12.195 5.926 ( -1.186 1.456 -18.880) 18.973 6.091 ( -4.476 -15.747 -5.641) 17.315 6.208 ( -2.105 -9.966 -17.275) 20.055 6.260 ( -2.552 -12.569 -14.995) 19.732 6.387 ( -2.945 -9.195 -14.228) 17.194 6.826 ( -5.074 10.593 3.537) 12.267 6.888 ( -2.887 12.523 -1.095) 12.898 7.090 ( -6.359 13.400 1.727) 14.932 7.221 ( -5.302 11.618 5.909) 14.071 7.352 ( 3.489 -2.608 3.003) 5.290 7.412 ( 0.190 4.261 3.571) 5.563 7.550 ( -4.723 3.902 6.412) 8.868 7.609 ( 4.021 0.050 0.080) 4.022 7.796 ( -3.843 -2.288 13.188) 13.926 7.960 ( -1.778 1.584 6.594) 7.011 8.040 ( -3.063 -3.141 -6.470) 7.817 8.186 ( -6.854 4.459 -13.276) 15.592 8.218 ( -1.935 -4.283 0.531) 4.729 8.322 ( -7.428 4.465 4.055) 9.568 8.357 ( -1.016 -0.506 1.250) 1.688 8.678 ( 4.606 2.546 7.677) 9.308 8.743 ( 4.608 -5.255 4.477) 8.300 8.855 ( -7.336 0.756 -0.176) 7.377 8.978 ( 1.164 -0.982 0.080) 1.525 9.075 ( 6.255 -9.322 1.601) 11.340 9.554 ( 3.587 -2.454 -5.132) 6.725 9.593 ( -2.210 -3.152 -5.805) 6.966 9.686 ( 1.842 2.648 1.042) 3.390 9.775 ( 2.002 -1.994 -1.239) 3.085 9.928 ( -2.091 5.802 -4.030) 7.368 10.020 ( 2.061 -0.940 -1.858) 2.929 10.079 ( -1.686 3.843 6.307) 7.575 10.183 ( -1.557 3.870 1.294) 4.368 10.323 ( 5.464 -5.478 -2.592) 8.160 10.426 ( 0.716 -8.512 -4.033) 9.447 10.564 ( 0.891 1.793 -1.082) 2.276 10.638 ( -1.046 -0.939 0.897) 1.667 10.792 ( -1.409 2.250 1.002) 2.838 10.848 ( -3.047 -0.019 -2.975) 4.258 10.924 ( -0.637 5.406 0.320) 5.453 11.083 ( -3.349 1.856 3.132) 4.947 11.220 ( -1.780 6.180 -0.365) 6.441 11.458 ( -2.164 0.608 -1.622) 2.772 11.522 ( 2.613 -3.587 4.351) 6.215 11.598 ( 6.350 -4.840 1.384) 8.103 11.664 ( 1.623 -0.905 -0.797) 2.022 11.696 ( -1.814 -6.725 -2.719) 7.477 11.910 ( -0.151 3.241 -0.259) 3.254 12.022 ( 4.138 -0.761 -2.545) 4.917 12.242 ( 0.933 2.717 -2.391) 3.737 12.293 ( 1.531 4.695 1.901) 5.291 12.354 ( 3.385 0.258 -1.664) 3.781 12.607 ( 1.313 -3.936 2.008) 4.609 12.671 ( 1.362 0.184 7.179) 7.310 12.777 ( 0.240 -0.990 1.778) 2.049 12.863 ( 1.742 -0.005 -3.824) 4.202 12.899 ( -1.052 -0.284 -1.067) 1.526 13.163 ( 0.205 -0.660 -1.226) 1.408 13.185 ( 0.885 -2.094 0.763) 2.398 13.340 ( 2.404 2.421 -0.881) 3.524 13.414 ( 0.723 4.254 -0.132) 4.317 13.455 ( -0.801 -4.300 -2.558) 5.067 13.487 ( 3.106 0.180 -3.960) 5.036 13.593 ( 0.319 4.029 -1.608) 4.350 13.773 ( 3.340 4.237 0.555) 5.423 13.891 ( 1.680 -4.222 -4.317) 6.268 13.965 ( 4.842 1.266 -2.972) 5.821 14.082 ( 1.866 -5.859 1.668) 6.372 14.120 ( -0.316 -7.367 1.472) 7.520 14.354 ( 0.449 5.327 1.932) 5.684 14.412 ( -0.918 2.022 3.436) 4.091 14.818 ( -0.008 1.062 0.400) 1.135 14.859 ( 1.622 -0.865 0.873) 2.035 15.180 ( -1.115 1.760 -3.020) 3.669 15.259 ( -2.425 -1.528 1.375) 3.178 15.397 ( 1.466 1.295 -1.548) 2.494 15.454 ( 0.249 -1.213 3.309) 3.533 15.563 ( -3.347 0.623 1.074) 3.570 15.594 ( -2.556 -0.754 2.475) 3.637 ======================= Grid point 68 (32/117) ======================= q-point: ( 0.18 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 36.937 7.886 22.830) 44.133 2.585 ( 38.899 2.798 26.298) 47.038 3.216 ( 14.853 -38.014 10.384) 42.114 3.495 ( 20.259 -32.683 5.685) 38.870 4.394 ( 47.931 34.120 37.969) 70.023 4.709 ( 1.605 34.463 8.129) 35.445 4.885 ( 7.914 39.776 -6.995) 41.155 5.395 ( 1.459 1.545 -15.513) 15.658 5.480 ( -1.070 -0.900 -21.230) 21.276 5.703 ( -3.593 5.024 -27.587) 28.270 5.848 ( 3.720 -18.953 -7.879) 20.859 5.884 ( 6.008 -9.305 -11.338) 15.850 5.992 ( -1.528 -12.266 -0.427) 12.368 6.120 ( 5.813 -14.091 -12.975) 20.018 6.195 ( -0.892 -19.207 -3.887) 19.617 6.322 ( 1.255 -12.469 -10.068) 16.075 6.686 ( -9.551 4.825 -2.287) 10.942 6.736 ( -8.209 1.529 2.249) 8.648 7.014 ( -2.865 15.143 0.676) 15.427 7.110 ( -7.217 7.851 2.282) 10.906 7.317 ( -10.159 -9.015 -3.516) 14.030 7.397 ( -3.907 -5.646 5.628) 8.878 7.476 ( -2.294 2.654 5.309) 6.363 7.607 ( -5.833 -0.428 4.162) 7.179 7.750 ( -4.868 0.874 -0.105) 4.947 7.919 ( -3.472 5.495 -16.947) 18.150 7.962 ( -0.909 3.049 11.202) 11.645 8.017 ( -6.312 2.901 7.773) 10.425 8.168 ( -3.517 -4.800 5.212) 7.910 8.266 ( -3.181 3.166 4.811) 6.579 8.374 ( 1.473 -0.268 7.466) 7.614 8.673 ( -10.028 -0.433 5.269) 11.336 8.790 ( 2.850 2.744 6.648) 7.736 8.869 ( 5.874 5.547 9.766) 12.675 8.996 ( -0.303 -1.577 2.652) 3.100 9.177 ( 2.404 -1.822 2.175) 3.719 9.517 ( -2.373 -0.218 -4.032) 4.684 9.590 ( 2.622 -6.443 -2.955) 7.558 9.749 ( 1.344 2.200 4.643) 5.311 9.796 ( -0.551 1.016 -2.890) 3.113 9.930 ( 1.057 1.301 4.255) 4.573 10.026 ( 0.966 -3.518 -3.871) 5.319 10.086 ( 0.506 5.930 3.237) 6.774 10.167 ( 0.727 4.745 -4.194) 6.374 10.401 ( 2.646 -5.958 -7.950) 10.281 10.428 ( 1.203 -9.183 -2.690) 9.644 10.552 ( -1.389 1.083 -3.592) 4.000 10.596 ( -3.662 -1.110 2.662) 4.662 10.757 ( -2.503 -0.642 -1.025) 2.780 10.769 ( -1.988 -0.766 -3.661) 4.236 10.915 ( -2.151 5.684 2.206) 6.466 11.022 ( -2.526 -1.038 0.579) 2.792 11.157 ( -4.408 7.650 0.830) 8.868 11.358 ( -6.705 3.783 -1.624) 7.868 11.490 ( -9.166 -6.864 1.802) 11.592 11.578 ( -2.923 -6.036 -4.353) 7.995 11.707 ( 3.236 0.530 -3.519) 4.810 11.751 ( 6.185 -2.645 1.149) 6.825 11.939 ( 2.581 3.996 0.899) 4.841 12.101 ( 4.609 -2.199 -0.437) 5.125 12.253 ( 1.766 4.812 -1.869) 5.456 12.369 ( 3.915 2.457 1.977) 5.028 12.411 ( 3.233 1.944 -0.517) 3.808 12.646 ( 1.565 -1.401 2.949) 3.620 12.742 ( 2.643 -1.778 7.449) 8.102 12.802 ( 1.866 -1.312 1.715) 2.854 12.879 ( 1.025 -1.164 -0.007) 1.551 12.910 ( 2.208 -2.515 -2.414) 4.127 13.164 ( 0.205 0.168 -0.547) 0.608 13.206 ( 0.839 -1.797 0.602) 2.073 13.362 ( 0.485 2.368 -0.713) 2.520 13.428 ( -0.909 -0.325 -1.184) 1.528 13.466 ( 3.765 4.331 -0.380) 5.752 13.558 ( 5.036 -1.162 -2.991) 5.971 13.609 ( 2.539 4.918 -2.859) 6.229 13.830 ( 1.924 4.351 0.297) 4.767 13.911 ( 2.069 -4.683 -4.938) 7.113 14.054 ( 4.104 -1.991 -0.619) 4.603 14.117 ( 1.691 -4.826 -3.686) 6.303 14.148 ( 2.404 -6.608 4.744) 8.482 14.371 ( 0.603 4.915 -0.097) 4.953 14.407 ( -0.947 2.975 4.693) 5.636 14.825 ( 0.608 1.591 -0.719) 1.849 14.896 ( 1.707 -1.570 0.320) 2.341 15.147 ( -0.793 0.924 -3.896) 4.082 15.200 ( -3.818 -1.366 0.884) 4.150 15.423 ( 1.956 1.220 -2.920) 3.721 15.469 ( -0.329 -0.424 4.201) 4.235 15.500 ( -2.761 0.675 0.352) 2.864 15.557 ( -2.036 -1.370 2.918) 3.813 ======================= Grid point 69 (33/117) ======================= q-point: ( 0.27 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 39.139 5.962 10.324) 40.915 3.487 ( 40.316 -3.350 20.521) 45.362 3.693 ( 27.382 -21.253 11.994) 36.679 3.980 ( 26.813 -23.207 -2.718) 35.565 4.726 ( 3.346 28.133 1.609) 28.377 5.057 ( 12.318 29.040 -11.423) 33.550 5.251 ( 9.781 10.623 -10.184) 17.670 5.379 ( 1.568 6.902 -23.186) 24.242 5.437 ( -7.209 0.790 -24.406) 25.461 5.646 ( 34.874 17.963 23.945) 45.959 5.779 ( -0.269 -9.072 -11.672) 14.786 5.855 ( -2.492 -7.355 -19.645) 21.124 6.029 ( 6.297 -11.903 -12.458) 18.345 6.175 ( 0.607 -16.631 -2.413) 16.816 6.228 ( 0.461 -1.082 -5.155) 5.287 6.336 ( 1.014 -11.852 -5.366) 13.050 6.487 ( -7.931 -1.030 -2.310) 8.325 6.659 ( -3.228 -3.273 1.301) 4.777 6.951 ( -5.067 6.867 8.605) 12.119 6.969 ( -5.751 5.414 -2.273) 8.219 7.037 ( -14.067 -14.217 -3.433) 20.293 7.346 ( -4.071 -4.194 3.656) 6.894 7.391 ( -4.874 -2.067 8.251) 9.803 7.492 ( -8.422 9.508 -1.451) 12.784 7.615 ( -6.179 -4.055 7.488) 10.521 7.786 ( -4.309 4.813 -6.274) 9.005 7.939 ( -4.109 5.493 8.835) 11.185 8.021 ( -0.685 3.090 0.355) 3.185 8.122 ( -4.354 -1.399 6.297) 7.783 8.237 ( 0.384 -0.083 1.591) 1.639 8.412 ( -2.957 -10.131 15.771) 18.977 8.559 ( -3.199 -0.709 11.872) 12.316 8.846 ( 0.138 2.812 5.912) 6.548 8.978 ( -2.517 0.091 3.510) 4.320 9.055 ( 6.960 10.820 10.977) 16.912 9.172 ( -2.424 1.620 -1.801) 3.427 9.465 ( -2.075 0.151 -0.439) 2.126 9.651 ( 3.080 -5.599 -0.847) 6.446 9.733 ( -4.639 1.569 5.049) 7.034 9.765 ( -2.266 0.067 1.000) 2.478 9.927 ( -2.746 2.574 5.540) 6.698 10.007 ( -4.523 0.601 2.149) 5.043 10.103 ( 1.483 5.368 -1.861) 5.872 10.219 ( 6.316 -1.667 -7.892) 10.245 10.289 ( -10.346 -4.017 -8.906) 14.230 10.447 ( -0.107 -4.137 -4.091) 5.820 10.494 ( -2.887 -4.427 1.115) 5.402 10.525 ( -4.277 -1.544 0.890) 4.633 10.700 ( -1.544 -0.290 -4.099) 4.389 10.739 ( -1.187 -1.192 -0.264) 1.703 10.851 ( -4.015 4.664 2.830) 6.774 10.973 ( -3.349 -2.928 -0.183) 4.452 11.072 ( -4.153 3.635 1.123) 5.632 11.206 ( -5.920 1.474 -1.852) 6.376 11.324 ( -2.716 3.395 -2.051) 4.807 11.558 ( 1.156 -5.453 -3.774) 6.732 11.742 ( 1.754 2.651 -3.718) 4.891 11.856 ( 4.703 -3.688 -0.736) 6.022 12.027 ( 5.370 4.406 1.939) 7.212 12.189 ( 3.873 -3.615 0.156) 5.300 12.298 ( 2.808 3.187 -0.081) 4.248 12.408 ( 0.834 -2.021 -1.860) 2.871 12.523 ( 6.622 5.274 3.629) 9.211 12.688 ( 1.236 0.077 3.609) 3.815 12.821 ( 3.422 1.025 0.954) 3.697 12.864 ( 1.496 -2.997 6.825) 7.602 12.911 ( 2.050 -2.544 1.404) 3.556 12.945 ( 2.290 -2.806 -3.089) 4.760 13.161 ( -0.490 -0.786 -0.783) 1.213 13.209 ( -0.736 -1.855 -0.052) 1.997 13.366 ( 0.154 1.932 -0.473) 1.995 13.408 ( -0.666 2.620 -0.633) 2.777 13.542 ( 3.536 5.189 0.770) 6.326 13.632 ( 3.292 0.733 -2.846) 4.413 13.679 ( 4.746 0.734 -1.493) 5.029 13.853 ( 0.270 1.367 0.737) 1.576 13.926 ( 1.396 -2.841 -5.083) 5.988 14.086 ( -0.076 -6.731 -0.853) 6.785 14.169 ( 4.219 -0.253 -2.234) 4.780 14.225 ( 3.514 -4.189 2.024) 5.830 14.374 ( -0.173 4.310 -0.199) 4.318 14.411 ( -0.338 2.868 2.339) 3.717 14.833 ( 0.531 2.159 -1.395) 2.625 14.927 ( 1.360 -1.938 -0.442) 2.408 15.117 ( -1.152 -0.299 -2.966) 3.196 15.126 ( -2.903 -0.580 -0.560) 3.013 15.421 ( -1.367 2.298 -3.589) 4.475 15.473 ( 1.087 0.920 3.586) 3.859 15.497 ( 0.969 -1.095 -0.063) 1.464 15.540 ( -1.100 -1.780 4.382) 4.856 ======================= Grid point 70 (34/117) ======================= q-point: ( 0.36 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.132 ( 36.540 1.730 4.974) 36.917 4.279 ( 31.610 -5.354 10.491) 33.733 4.375 ( 34.718 -6.165 13.371) 37.711 4.508 ( 27.923 -11.653 -7.237) 31.110 4.831 ( 7.187 16.155 -2.875) 17.914 5.167 ( -1.371 8.692 -11.477) 14.462 5.246 ( 3.935 8.315 -14.924) 17.531 5.319 ( 6.373 18.799 -14.876) 24.806 5.409 ( 7.290 8.716 -24.650) 27.143 5.683 ( -4.771 -15.433 -2.869) 16.406 5.846 ( 7.615 -4.520 -11.646) 14.631 5.995 ( -0.901 -12.702 -13.410) 18.492 6.103 ( -3.245 -4.413 -0.760) 5.530 6.145 ( -1.996 -3.379 -2.712) 4.770 6.261 ( 0.628 -9.388 -6.264) 11.304 6.350 ( 3.362 -4.037 -3.648) 6.396 6.398 ( -8.303 3.001 3.434) 9.473 6.510 ( -4.660 2.137 -0.533) 5.155 6.773 ( -10.912 -8.725 -1.119) 14.016 6.813 ( -8.229 -8.173 -0.281) 11.602 7.069 ( 13.292 10.130 5.326) 17.540 7.222 ( -9.377 7.907 7.075) 14.160 7.365 ( -5.845 9.611 8.159) 13.896 7.407 ( 5.936 -0.747 -0.258) 5.989 7.579 ( 3.021 -5.813 9.805) 11.792 7.718 ( -1.013 7.873 -2.200) 8.237 7.872 ( -6.823 5.696 6.730) 11.148 7.943 ( -6.998 7.430 -5.630) 11.656 8.026 ( -4.124 4.653 5.794) 8.498 8.300 ( 2.849 -6.478 5.224) 8.796 8.412 ( -4.387 -16.073 16.939) 23.760 8.621 ( 3.194 -7.336 6.195) 10.119 8.835 ( -4.327 3.330 6.779) 8.705 8.950 ( -0.322 -3.051 5.601) 6.387 9.071 ( -4.182 2.241 -3.974) 6.189 9.151 ( -5.266 1.737 6.544) 8.578 9.440 ( -3.341 4.977 1.536) 6.188 9.585 ( -8.372 1.644 1.431) 8.651 9.637 ( -9.488 -0.555 1.110) 9.569 9.719 ( -2.307 -1.642 1.450) 3.181 9.835 ( -9.020 1.826 3.809) 9.960 9.890 ( -4.811 -1.383 -1.311) 5.175 10.014 ( -6.787 5.418 -2.043) 8.922 10.158 ( 3.682 4.470 -1.290) 5.932 10.322 ( 5.410 -5.038 -1.588) 7.562 10.389 ( -3.642 0.779 -1.551) 4.035 10.418 ( -5.228 -0.624 0.806) 5.327 10.456 ( -2.962 -7.569 2.011) 8.373 10.657 ( -1.830 1.692 -1.064) 2.710 10.713 ( -1.263 -1.159 0.096) 1.717 10.824 ( 0.494 2.104 1.134) 2.440 10.932 ( -0.032 -2.901 0.726) 2.991 11.032 ( 0.121 3.135 0.088) 3.138 11.147 ( 0.001 -3.314 -1.020) 3.468 11.352 ( 4.759 6.867 -3.639) 9.113 11.578 ( 1.945 -4.672 -3.452) 6.126 11.757 ( 1.149 4.755 -1.484) 5.113 11.943 ( 4.209 -4.322 -0.257) 6.038 12.146 ( 5.458 1.990 1.356) 5.966 12.245 ( 1.613 -3.362 -0.120) 3.731 12.351 ( 2.222 1.993 0.666) 3.058 12.418 ( 1.037 -1.168 -0.585) 1.668 12.677 ( 6.691 3.028 3.617) 8.187 12.718 ( 0.086 1.246 3.592) 3.803 12.867 ( -1.542 0.586 1.652) 2.334 12.888 ( 2.471 1.883 -2.238) 3.829 12.965 ( 1.678 -1.714 1.984) 3.113 12.985 ( 2.451 -3.132 -0.301) 3.988 13.119 ( -3.540 -0.908 -1.696) 4.029 13.191 ( -0.818 -4.964 0.908) 5.112 13.362 ( -0.238 2.306 -0.901) 2.488 13.400 ( -0.164 2.145 1.046) 2.393 13.613 ( 3.237 4.676 1.095) 5.792 13.667 ( 1.334 0.929 -3.128) 3.525 13.755 ( 2.932 0.504 -0.557) 3.027 13.854 ( -0.310 -1.039 1.420) 1.787 13.933 ( 1.390 -1.124 -4.452) 4.797 14.070 ( -0.787 -5.848 -2.082) 6.257 14.236 ( 3.020 0.781 -2.123) 3.774 14.285 ( 1.438 -2.343 1.801) 3.287 14.363 ( -0.906 3.212 0.275) 3.349 14.414 ( 0.779 0.919 -1.739) 2.116 14.835 ( 0.314 2.604 -1.608) 3.077 14.944 ( 0.663 -2.118 -1.411) 2.630 15.072 ( -1.468 0.271 0.689) 1.644 15.105 ( 0.417 -1.512 -3.024) 3.407 15.380 ( -1.399 3.367 -2.010) 4.163 15.505 ( -0.026 -2.276 -1.342) 2.642 15.524 ( 2.384 0.437 3.030) 3.880 15.554 ( 0.584 -0.648 4.880) 4.958 ======================= Grid point 71 (35/117) ======================= q-point: ( 0.45 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.774 ( 22.283 -1.235 -1.185) 22.349 4.852 ( 22.570 -4.868 5.866) 23.823 4.860 ( -1.410 8.252 -5.281) 9.898 4.979 ( 21.570 2.405 -4.858) 22.241 5.124 ( 24.624 -0.414 8.586) 26.082 5.144 ( 2.744 6.787 -6.016) 9.475 5.207 ( 0.160 8.307 -9.623) 12.713 5.344 ( 0.772 0.729 -2.971) 3.155 5.514 ( 10.656 12.527 -14.156) 21.699 5.642 ( 1.016 -13.441 -1.219) 13.534 5.827 ( -11.588 -14.159 -6.558) 19.436 5.936 ( 1.440 -3.632 -3.785) 5.440 6.025 ( 0.052 -0.303 -8.757) 8.763 6.104 ( 6.149 -0.802 -7.157) 9.470 6.198 ( -1.599 -3.610 -0.982) 4.069 6.267 ( 0.501 -7.419 -6.602) 9.944 6.405 ( 2.296 -1.629 -1.502) 3.191 6.472 ( -0.832 2.778 4.445) 5.307 6.585 ( -4.950 -4.209 4.759) 8.054 6.713 ( 0.225 -12.723 -8.826) 15.486 7.051 ( -11.488 17.547 12.124) 24.226 7.130 ( -1.707 1.516 -4.963) 5.463 7.219 ( -5.113 -3.555 -1.628) 6.437 7.606 ( -3.050 4.033 0.615) 5.093 7.648 ( -6.952 5.824 8.056) 12.130 7.686 ( -2.987 12.011 -6.882) 14.161 7.822 ( -1.307 12.916 -5.755) 14.200 7.968 ( -1.716 -3.183 7.411) 8.246 8.079 ( 26.167 3.098 7.669) 27.443 8.278 ( -8.561 -13.862 14.955) 22.116 8.430 ( 2.251 -10.034 3.661) 10.916 8.564 ( -9.236 -8.914 -12.419) 17.861 8.608 ( -26.025 2.723 2.268) 26.265 8.879 ( -10.458 -0.143 -0.266) 10.463 9.004 ( -1.060 7.140 6.630) 9.801 9.078 ( 4.366 -2.519 7.859) 9.336 9.305 ( -2.892 1.236 2.766) 4.188 9.446 ( -5.953 -0.338 2.222) 6.363 9.556 ( -4.352 -2.085 1.609) 5.087 9.613 ( -2.525 -0.522 -0.311) 2.597 9.727 ( -4.632 1.806 3.332) 5.985 9.818 ( -2.871 -3.465 -2.032) 4.937 9.974 ( -1.498 8.816 6.861) 11.271 10.222 ( 2.697 3.675 -0.059) 4.559 10.321 ( 0.060 3.742 -1.397) 3.994 10.365 ( -1.541 -3.270 2.652) 4.483 10.393 ( -1.725 -5.154 2.368) 5.928 10.448 ( 5.407 -3.500 -0.403) 6.453 10.629 ( -0.596 3.331 0.859) 3.491 10.696 ( -0.753 -0.185 1.964) 2.112 10.844 ( 0.841 0.924 -0.493) 1.343 10.966 ( 1.906 -3.906 2.466) 4.997 11.059 ( 1.749 2.411 0.909) 3.114 11.168 ( 1.558 -3.260 -0.156) 3.617 11.432 ( 3.984 4.852 -3.534) 7.205 11.599 ( 1.239 -3.666 -2.567) 4.644 11.783 ( 1.640 5.862 1.406) 6.248 12.016 ( 2.678 -4.727 1.439) 5.620 12.241 ( 2.732 -0.371 0.601) 2.822 12.257 ( 0.681 -2.105 -0.630) 2.301 12.391 ( 1.237 1.386 1.491) 2.383 12.442 ( 1.068 -0.670 0.848) 1.519 12.700 ( -3.142 2.400 1.777) 4.335 12.754 ( -1.195 -0.939 -0.039) 1.520 12.838 ( -1.801 3.843 -2.680) 5.019 12.930 ( 3.192 1.511 -0.322) 3.546 12.999 ( -1.126 -1.021 -0.615) 1.640 13.004 ( 0.742 -1.130 -0.530) 1.452 13.033 ( -1.892 -0.137 0.324) 1.924 13.194 ( 0.360 -6.550 2.811) 7.137 13.356 ( 0.137 1.946 -0.763) 2.095 13.407 ( 0.168 0.488 1.815) 1.887 13.650 ( -0.717 2.984 -2.337) 3.857 13.683 ( 2.188 1.511 -0.219) 2.668 13.783 ( 0.227 2.016 -1.070) 2.294 13.864 ( 0.710 -1.697 2.269) 2.921 13.946 ( 1.607 -1.226 -4.083) 4.556 14.040 ( -1.080 -3.807 -2.926) 4.922 14.258 ( 0.030 1.218 -1.958) 2.306 14.301 ( -0.161 -1.589 0.678) 1.735 14.352 ( -0.030 2.333 0.365) 2.362 14.426 ( 1.229 -0.677 -3.617) 3.880 14.834 ( 0.360 2.666 -1.640) 3.150 14.939 ( -0.305 -1.827 -2.452) 3.073 15.072 ( 0.723 0.424 1.939) 2.113 15.115 ( 1.475 -1.909 -1.565) 2.876 15.347 ( -1.186 3.467 -1.706) 4.042 15.488 ( -1.080 -3.353 -1.344) 3.770 15.582 ( 1.420 0.610 4.430) 4.691 15.595 ( 1.905 0.290 3.669) 4.144 ======================= Grid point 72 (36/117) ======================= q-point: (-0.45 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.541 ( -24.714 7.288 -1.760) 25.827 4.743 ( -24.013 8.525 -9.257) 27.111 4.859 ( -24.330 -3.793 3.297) 24.844 5.109 ( -1.855 4.941 0.749) 5.330 5.174 ( 1.747 -1.026 -2.037) 2.873 5.409 ( 9.919 -3.750 1.160) 10.667 5.458 ( 7.781 -6.906 4.427) 11.306 5.506 ( 2.092 -10.519 -8.654) 13.781 5.638 ( 15.015 1.803 1.465) 15.194 5.727 ( 17.393 -5.028 6.791) 19.337 5.935 ( 18.804 7.795 -1.395) 20.403 5.988 ( 7.258 -1.000 -4.617) 8.660 6.109 ( 7.179 0.910 -2.802) 7.760 6.190 ( 4.329 -3.494 -11.297) 12.593 6.259 ( 6.021 -0.901 -0.574) 6.115 6.296 ( 7.357 -3.964 -7.130) 10.986 6.431 ( 2.953 -7.013 -0.669) 7.639 6.563 ( 3.432 4.753 5.843) 8.277 6.650 ( 5.354 -8.254 0.948) 9.884 6.743 ( 5.716 6.573 3.383) 9.344 6.931 ( -0.737 5.788 14.704) 15.820 7.060 ( -2.494 0.511 -5.699) 6.242 7.177 ( -0.889 -3.415 -8.746) 9.430 7.406 ( -9.012 -0.300 -2.873) 9.464 7.493 ( -8.545 5.202 -9.398) 13.726 7.622 ( -22.601 13.062 -4.185) 26.437 7.719 ( 4.204 16.535 -3.404) 17.397 7.863 ( -19.905 0.900 0.682) 19.937 7.922 ( -11.365 -2.415 5.387) 12.807 8.115 ( -4.889 -8.665 7.166) 12.261 8.307 ( -9.354 -8.779 -14.876) 19.644 8.477 ( 0.014 -12.911 4.145) 13.560 8.633 ( 3.335 0.869 3.472) 4.893 8.858 ( 9.851 -6.789 -0.245) 11.966 9.022 ( 0.163 11.250 7.549) 13.548 9.165 ( 3.624 3.843 1.558) 5.508 9.310 ( -0.394 0.076 4.579) 4.597 9.380 ( -1.320 0.611 0.938) 1.730 9.452 ( -3.470 -0.749 -1.150) 3.731 9.641 ( -2.643 1.813 2.192) 3.883 9.662 ( 1.364 0.771 -0.237) 1.584 9.798 ( 3.263 -8.454 -1.186) 9.139 9.998 ( 3.183 5.325 7.964) 10.095 10.259 ( 0.586 0.221 -2.638) 2.711 10.341 ( 0.941 -2.176 1.064) 2.598 10.371 ( 3.563 0.129 1.059) 3.719 10.424 ( 1.820 2.594 4.800) 5.752 10.555 ( 4.006 -2.013 1.931) 4.881 10.654 ( 3.180 2.617 1.444) 4.364 10.700 ( 0.201 0.133 3.062) 3.071 10.849 ( -0.202 1.463 0.016) 1.477 11.004 ( 0.551 -4.179 3.428) 5.433 11.089 ( 0.352 1.770 2.122) 2.786 11.190 ( 0.551 -2.944 0.878) 3.122 11.460 ( -0.366 3.743 -2.242) 4.378 11.602 ( 0.228 -3.165 -3.420) 4.665 11.840 ( 2.827 5.355 4.634) 7.625 12.054 ( 0.072 -4.212 3.245) 5.318 12.221 ( -2.733 0.882 -0.484) 2.912 12.286 ( -0.867 -2.124 0.156) 2.300 12.408 ( 0.113 0.316 2.146) 2.172 12.464 ( 0.745 -0.621 1.589) 1.862 12.637 ( -2.166 2.397 -0.962) 3.371 12.684 ( -4.966 -1.174 -1.946) 5.461 12.728 ( -6.630 2.051 -4.308) 8.168 12.867 ( -5.520 -3.204 -4.455) 7.783 12.995 ( -0.651 1.378 -1.083) 1.870 13.036 ( 0.898 2.308 3.056) 3.934 13.081 ( 4.758 -0.272 0.695) 4.816 13.217 ( 0.634 -4.708 2.316) 5.285 13.363 ( 0.566 1.990 0.330) 2.095 13.423 ( 0.765 -0.348 2.237) 2.390 13.606 ( -2.333 3.091 -2.096) 4.404 13.703 ( -0.201 -0.647 -1.624) 1.760 13.766 ( -0.959 2.594 -1.953) 3.386 13.896 ( 1.122 -2.989 2.494) 4.051 13.960 ( 1.234 -0.457 -4.481) 4.670 14.018 ( 0.368 -2.207 -1.616) 2.760 14.237 ( -1.124 1.497 -2.538) 3.154 14.289 ( -0.751 -1.347 -0.453) 1.608 14.354 ( -0.460 2.053 0.487) 2.160 14.423 ( -0.160 -0.610 -3.997) 4.046 14.841 ( 1.037 2.212 -1.192) 2.719 14.917 ( -0.730 -0.971 -2.795) 3.048 15.103 ( 1.274 0.456 2.546) 2.883 15.150 ( 2.252 -1.915 0.118) 2.959 15.318 ( -0.970 2.695 -1.791) 3.378 15.453 ( -1.739 -3.916 -1.782) 4.641 15.617 ( 0.278 1.655 5.240) 5.502 15.648 ( 1.469 -0.005 3.861) 4.131 ======================= Grid point 73 (37/117) ======================= q-point: (-0.36 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.906 ( -38.441 4.040 3.198) 38.784 4.088 ( -36.781 11.805 -5.283) 38.989 4.284 ( -31.931 -14.185 5.211) 35.326 4.826 ( -25.460 -21.892 -0.431) 33.580 5.016 ( -10.034 19.264 5.095) 22.310 5.430 ( 3.706 2.596 -3.872) 5.955 5.633 ( 3.780 -2.125 -1.316) 4.532 5.787 ( 12.126 -3.289 2.967) 12.910 5.914 ( 8.595 -1.206 4.775) 9.906 5.951 ( -25.029 5.177 5.973) 26.248 6.029 ( -0.032 6.808 1.953) 7.083 6.133 ( 11.265 -4.658 -2.162) 12.380 6.214 ( 5.380 -3.329 -7.415) 9.747 6.250 ( 1.041 -0.012 -5.025) 5.131 6.402 ( 11.238 3.143 -3.984) 12.331 6.490 ( -0.388 -13.925 -2.259) 14.112 6.527 ( 15.653 1.231 -0.300) 15.705 6.591 ( 15.666 8.182 10.015) 20.314 6.775 ( 5.246 -10.820 -5.557) 13.247 6.855 ( -12.522 4.032 -5.027) 14.083 6.950 ( -4.972 3.489 -1.729) 6.315 7.052 ( 10.992 -2.979 10.647) 15.590 7.157 ( 10.807 1.305 11.615) 15.919 7.252 ( -1.736 7.651 -16.423) 18.201 7.273 ( -4.659 -6.466 -4.838) 9.323 7.487 ( 5.843 8.583 -2.546) 10.691 7.602 ( -0.379 3.432 1.061) 3.612 7.763 ( -3.283 8.350 1.179) 9.050 7.845 ( 0.853 3.592 -0.415) 3.715 8.040 ( -7.152 -7.421 -15.916) 18.961 8.098 ( -0.295 -9.908 6.996) 12.133 8.491 ( -0.717 -12.958 6.145) 14.359 8.658 ( 1.503 9.171 1.466) 9.409 8.922 ( -2.614 3.697 1.122) 4.665 9.001 ( -6.383 5.212 1.700) 8.414 9.255 ( 0.638 -2.552 0.028) 2.631 9.275 ( 0.569 -1.296 -2.756) 3.098 9.413 ( 3.049 -5.193 -1.902) 6.315 9.469 ( 5.753 7.302 -3.191) 9.829 9.617 ( 1.856 3.501 -4.135) 5.727 9.698 ( 2.594 -3.492 0.950) 4.452 9.887 ( 2.876 -8.712 4.179) 10.082 10.220 ( 14.478 2.024 4.817) 15.392 10.246 ( 1.064 -0.273 -6.724) 6.813 10.384 ( 0.688 3.586 4.987) 6.181 10.424 ( 1.091 2.701 -2.203) 3.652 10.496 ( 4.206 -0.865 3.341) 5.441 10.619 ( 2.385 -2.811 2.771) 4.612 10.722 ( 1.470 1.161 2.622) 3.222 10.777 ( 6.029 0.787 3.239) 6.889 10.841 ( 0.051 1.176 0.513) 1.284 11.015 ( -1.181 -4.722 5.381) 7.256 11.090 ( -0.686 2.501 1.132) 2.830 11.205 ( 0.723 -3.076 1.591) 3.537 11.406 ( -3.831 4.612 -0.785) 6.046 11.573 ( -1.539 -3.212 -5.065) 6.192 11.921 ( 2.467 3.110 6.605) 7.706 12.036 ( -3.805 -2.223 4.145) 6.050 12.126 ( -6.701 2.188 -0.010) 7.049 12.218 ( -4.538 -1.207 -1.112) 4.825 12.421 ( 0.151 -0.078 0.586) 0.610 12.485 ( 0.265 0.138 2.316) 2.335 12.547 ( -7.310 0.391 -1.327) 7.440 12.578 ( -4.184 2.344 -4.956) 6.896 12.633 ( -0.049 -3.003 0.184) 3.009 12.730 ( -6.049 -3.850 -5.133) 8.818 12.972 ( -1.395 2.489 -1.192) 3.093 13.039 ( -1.101 0.833 1.597) 2.111 13.160 ( 2.562 0.112 -0.002) 2.564 13.232 ( -0.048 -2.805 1.350) 3.113 13.379 ( 0.823 3.031 1.033) 3.306 13.451 ( 0.645 -0.276 2.820) 2.906 13.550 ( -2.369 3.126 -1.318) 4.137 13.668 ( -2.003 -1.965 -3.003) 4.111 13.740 ( -0.681 2.014 -1.838) 2.810 13.905 ( -0.259 -4.871 -3.302) 5.890 13.956 ( -0.461 1.014 -0.084) 1.117 14.048 ( 2.003 -3.213 0.764) 3.862 14.194 ( -1.655 2.543 -4.772) 5.655 14.270 ( -1.163 -1.416 -1.079) 2.127 14.332 ( -1.773 2.220 0.945) 2.994 14.384 ( -2.167 0.337 -3.220) 3.896 14.865 ( 1.440 1.257 -0.239) 1.926 14.894 ( -0.414 -0.026 -2.571) 2.604 15.138 ( 1.227 0.809 2.296) 2.726 15.200 ( 2.245 -1.983 1.412) 3.312 15.300 ( 0.082 1.877 -1.909) 2.679 15.410 ( -1.539 -3.442 -2.114) 4.323 15.636 ( -0.522 1.835 5.815) 6.120 15.679 ( 0.026 -0.292 4.117) 4.127 ======================= Grid point 74 (38/117) ======================= q-point: (-0.27 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( -46.023 3.790 7.812) 46.835 3.288 ( -41.560 15.241 -1.830) 44.304 3.698 ( -28.204 -25.192 9.737) 39.050 4.273 ( -28.607 -31.021 0.895) 42.208 4.859 ( -12.744 31.343 8.726) 34.942 4.965 ( -53.879 20.573 10.803) 58.676 5.374 ( -10.523 21.399 -1.044) 23.869 5.674 ( 1.306 -3.277 -2.028) 4.069 5.965 ( 3.216 -7.135 3.289) 8.489 6.044 ( -14.071 -17.798 7.225) 23.811 6.114 ( -0.511 -14.187 0.566) 14.207 6.151 ( 6.645 -0.861 -1.701) 6.913 6.179 ( -1.956 -5.236 -4.664) 7.280 6.324 ( 7.270 -2.132 -11.978) 14.172 6.469 ( -2.119 -3.302 0.732) 3.992 6.543 ( -3.697 -0.647 -1.376) 3.997 6.667 ( 12.986 1.980 -6.594) 14.698 6.824 ( -2.662 -3.838 -2.435) 5.268 6.883 ( 9.519 4.135 8.339) 13.313 6.970 ( 14.443 -3.576 -12.600) 19.498 7.056 ( 12.873 2.617 3.462) 13.585 7.087 ( 8.964 3.016 -14.456) 17.275 7.241 ( 11.857 -1.950 -3.115) 12.413 7.413 ( 3.657 -2.143 5.843) 7.219 7.453 ( 8.250 0.920 11.747) 14.384 7.499 ( -2.408 6.037 -1.230) 6.615 7.639 ( -0.540 7.801 5.451) 9.532 7.791 ( 5.198 18.067 0.507) 18.807 7.899 ( 13.259 2.921 -10.022) 16.875 8.099 ( 9.062 0.346 7.186) 11.570 8.175 ( 7.781 -12.476 3.968) 15.230 8.491 ( -1.682 -11.019 6.954) 13.138 8.711 ( 1.444 8.409 0.128) 8.533 8.823 ( -3.668 3.893 0.940) 5.431 8.879 ( -5.441 0.043 0.499) 5.464 9.148 ( -5.987 -5.282 -4.270) 9.054 9.336 ( 3.077 1.339 -3.207) 4.642 9.495 ( 6.012 1.038 -1.970) 6.411 9.595 ( 7.192 1.640 -5.457) 9.176 9.651 ( 3.083 -0.776 -5.638) 6.473 9.772 ( 3.792 -2.798 0.150) 4.715 9.938 ( 0.904 -9.382 5.195) 10.763 10.223 ( -0.544 6.947 -9.033) 11.409 10.386 ( -0.466 1.188 4.787) 4.954 10.439 ( 1.230 1.712 -1.432) 2.549 10.486 ( 7.298 -2.489 0.791) 7.751 10.570 ( 1.937 0.595 0.687) 2.139 10.718 ( 6.331 -7.253 0.021) 9.627 10.732 ( -0.760 4.772 -0.295) 4.841 10.842 ( 1.509 2.967 4.668) 5.733 10.936 ( 5.502 -2.329 1.379) 6.132 11.004 ( -2.047 -5.275 7.374) 9.295 11.081 ( 0.298 3.868 -1.454) 4.143 11.235 ( 1.757 -3.729 -0.325) 4.135 11.341 ( -1.441 5.924 -0.204) 6.100 11.512 ( -1.175 -1.198 -6.661) 6.870 11.917 ( -7.384 -0.574 2.687) 7.878 11.931 ( -7.983 -0.606 2.332) 8.339 12.027 ( -0.742 3.581 3.956) 5.388 12.125 ( -4.399 0.435 -1.122) 4.560 12.384 ( -3.271 -0.616 -3.853) 5.092 12.445 ( -2.724 0.599 1.443) 3.140 12.465 ( -3.024 0.139 -1.908) 3.579 12.511 ( -1.337 0.971 3.308) 3.698 12.589 ( -4.734 -2.018 -4.184) 6.632 12.657 ( 0.898 -4.558 0.303) 4.655 12.928 ( -2.319 3.256 -2.013) 4.476 13.017 ( -1.556 0.259 1.601) 2.248 13.186 ( 0.342 -0.451 -0.551) 0.790 13.225 ( -0.901 -1.426 0.598) 1.790 13.399 ( 0.576 2.944 0.607) 3.061 13.459 ( -0.873 0.108 1.870) 2.067 13.508 ( -1.536 2.831 -0.189) 3.227 13.612 ( -2.147 -1.922 -3.032) 4.183 13.723 ( -0.838 1.247 -0.633) 1.630 13.865 ( -1.654 -2.941 -7.001) 7.772 13.939 ( -1.758 -1.040 3.061) 3.680 14.058 ( -2.024 -2.196 -0.787) 3.089 14.147 ( -0.595 -0.836 -4.560) 4.674 14.217 ( -2.993 -2.199 -4.549) 5.873 14.313 ( -0.413 3.113 2.004) 3.725 14.334 ( -1.686 2.321 1.078) 3.064 14.877 ( -0.418 0.534 -1.777) 1.902 14.886 ( 0.371 0.293 0.541) 0.719 15.173 ( 1.560 1.181 1.634) 2.549 15.244 ( 1.608 -1.992 1.612) 3.026 15.309 ( 1.330 1.446 -1.609) 2.539 15.382 ( -0.316 -2.059 -1.939) 2.845 15.645 ( -0.917 1.302 5.971) 6.179 15.683 ( -1.140 -0.476 4.063) 4.246 ======================= Grid point 75 (39/117) ======================= q-point: (-0.18 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -43.534 12.726 16.395) 48.228 2.438 ( -43.624 22.102 4.308) 49.092 3.300 ( -16.174 -38.413 14.652) 44.179 3.714 ( -37.087 -8.915 9.991) 39.431 3.811 ( -50.199 2.767 18.167) 53.457 4.805 ( -3.831 37.269 10.302) 38.856 5.123 ( -12.415 30.417 0.087) 32.853 5.436 ( -34.556 -47.596 12.488) 60.129 5.711 ( -1.660 -6.548 -3.380) 7.554 5.971 ( -1.780 -9.106 -2.591) 9.634 6.061 ( -2.970 -8.805 -5.439) 10.768 6.189 ( 0.754 -10.610 -2.693) 10.972 6.339 ( 5.219 0.277 -6.718) 8.511 6.409 ( 8.345 -0.033 -16.026) 18.069 6.430 ( 2.944 2.065 -2.502) 4.381 6.589 ( 3.069 -1.639 -3.889) 5.218 6.710 ( -2.444 5.712 -12.647) 14.091 6.853 ( 8.502 -0.776 1.507) 8.669 6.992 ( 0.563 0.704 0.457) 1.011 7.086 ( -0.157 11.606 -2.477) 11.869 7.240 ( 10.007 1.025 -9.510) 13.843 7.264 ( 1.302 -1.900 -5.451) 5.917 7.351 ( 4.635 8.149 8.433) 12.610 7.464 ( -1.949 14.718 8.513) 17.114 7.627 ( 15.858 -2.853 6.478) 17.366 7.718 ( 13.520 0.741 1.385) 13.610 7.767 ( 6.617 0.188 16.276) 17.570 7.954 ( 11.860 7.524 -3.097) 14.383 8.092 ( 7.553 11.787 -6.467) 15.421 8.274 ( 7.455 -5.083 4.388) 10.034 8.386 ( 1.942 -6.852 7.349) 10.233 8.468 ( 0.121 -1.818 5.705) 5.988 8.755 ( 3.426 -5.243 -5.457) 8.307 8.793 ( 1.180 4.433 3.676) 5.878 8.852 ( 1.653 -6.875 0.936) 7.132 9.037 ( -2.936 -9.203 -4.599) 10.699 9.370 ( 2.645 5.745 -5.330) 8.271 9.620 ( 6.652 -0.785 -2.035) 7.001 9.679 ( 3.644 0.889 -1.796) 4.159 9.699 ( 3.515 -1.324 -4.509) 5.869 9.825 ( 1.216 -2.585 -0.265) 2.869 9.959 ( -0.771 -6.357 1.114) 6.499 10.181 ( 0.637 6.429 -5.529) 8.503 10.397 ( -0.012 -1.905 1.794) 2.617 10.435 ( -2.298 5.194 0.213) 5.684 10.555 ( -1.808 -1.383 2.199) 3.165 10.569 ( 0.859 -1.544 -0.571) 1.857 10.737 ( 2.086 5.666 -2.902) 6.699 10.759 ( -2.875 -10.710 -1.255) 11.160 10.881 ( 0.179 3.290 3.251) 4.629 11.013 ( 1.533 -1.688 2.572) 3.437 11.030 ( 2.474 -7.289 6.167) 9.863 11.101 ( 2.175 2.962 -2.663) 4.538 11.250 ( 0.802 -3.489 -5.026) 6.171 11.357 ( 3.058 7.065 -1.800) 7.906 11.513 ( 3.695 3.202 -9.470) 10.658 11.765 ( -7.992 -1.297 1.819) 8.299 11.766 ( -6.964 0.321 -0.190) 6.974 12.006 ( -4.775 2.630 1.223) 5.587 12.051 ( -2.018 0.914 2.444) 3.299 12.313 ( -3.234 -1.007 -0.355) 3.406 12.374 ( -2.810 -3.760 -3.244) 5.706 12.413 ( -2.036 3.566 -2.026) 4.579 12.497 ( -0.985 0.936 -2.196) 2.582 12.539 ( 0.337 1.058 6.390) 6.485 12.672 ( 0.085 -4.689 1.237) 4.851 12.871 ( -2.177 3.553 -2.464) 4.841 12.992 ( -1.597 -0.735 1.145) 2.098 13.174 ( -1.160 -0.488 -0.796) 1.489 13.206 ( -1.057 -1.186 -0.307) 1.618 13.397 ( -1.280 1.093 0.407) 1.732 13.441 ( -0.617 0.543 -1.278) 1.519 13.485 ( -1.001 2.339 0.883) 2.693 13.561 ( -1.920 -1.853 -2.609) 3.732 13.688 ( -2.856 0.709 0.303) 2.958 13.787 ( -3.231 -0.895 -4.294) 5.448 13.917 ( -1.211 -2.353 1.026) 2.838 13.978 ( -3.557 1.947 -5.829) 7.101 14.109 ( -2.619 -4.863 -0.271) 5.530 14.156 ( -0.548 -3.413 -4.200) 5.439 14.316 ( 0.142 4.093 1.762) 4.459 14.344 ( 1.022 2.712 3.964) 4.911 14.858 ( -0.964 0.546 -0.834) 1.387 14.882 ( -1.079 -0.123 1.144) 1.578 15.212 ( 1.652 1.417 0.909) 2.359 15.276 ( 0.721 -1.347 1.819) 2.376 15.331 ( 1.586 1.096 -1.954) 2.745 15.382 ( 0.808 -1.039 -0.822) 1.552 15.650 ( -0.927 0.469 5.425) 5.524 15.671 ( -1.608 -0.413 3.706) 4.061 ======================= Grid point 76 (40/117) ======================= q-point: (-0.09 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -21.218 38.071 27.659) 51.620 1.650 ( -36.229 25.540 22.554) 49.734 2.729 ( -50.948 43.967 44.769) 80.828 3.137 ( -10.656 -43.127 14.474) 46.723 3.401 ( -10.835 -47.685 5.596) 49.219 4.757 ( -6.915 39.342 11.176) 41.479 4.859 ( -24.046 -54.822 21.776) 63.701 4.956 ( -5.477 28.519 2.359) 29.136 5.646 ( -1.881 -3.031 -8.934) 9.620 5.919 ( -0.738 -6.557 -10.574) 12.464 6.004 ( -1.048 -9.426 -4.093) 10.329 6.138 ( -4.559 -20.133 -2.714) 20.821 6.319 ( -0.590 3.495 -17.117) 17.480 6.390 ( -2.050 2.152 -13.617) 13.938 6.506 ( 2.761 -5.285 -18.698) 19.625 6.579 ( 0.777 -3.441 -13.733) 14.179 6.733 ( 6.205 7.813 0.205) 9.979 6.944 ( -2.383 6.288 -2.710) 7.250 7.008 ( 2.656 15.800 0.764) 16.040 7.065 ( 4.236 11.617 8.051) 14.755 7.329 ( 2.856 0.676 6.160) 6.823 7.368 ( 1.570 8.428 6.608) 10.824 7.441 ( 4.684 7.672 5.888) 10.746 7.523 ( 3.859 3.918 5.098) 7.500 7.766 ( -5.739 -0.349 11.872) 13.191 7.942 ( 10.046 1.052 5.088) 11.310 8.001 ( 8.545 3.365 -2.442) 9.503 8.130 ( 1.002 2.693 -2.070) 3.541 8.229 ( 10.749 -5.698 0.257) 12.169 8.379 ( 2.652 -2.371 3.211) 4.792 8.428 ( 6.836 0.416 1.975) 7.128 8.560 ( 1.590 -0.702 -0.875) 1.946 8.685 ( -0.448 0.267 -8.631) 8.646 8.840 ( -2.459 -9.085 5.702) 11.004 8.943 ( -2.556 -10.431 -6.603) 12.607 8.983 ( 6.947 -6.023 -6.422) 11.215 9.416 ( 3.735 6.230 -5.340) 9.016 9.681 ( -0.262 -7.022 -3.828) 8.002 9.743 ( 1.531 2.702 -2.243) 3.831 9.783 ( 6.053 0.205 2.064) 6.398 9.845 ( 2.996 -1.720 3.437) 4.873 9.926 ( -2.282 -3.355 -1.280) 4.254 10.195 ( 0.960 3.725 -1.041) 3.985 10.323 ( -8.428 8.258 2.874) 12.144 10.402 ( -0.135 -5.669 -1.235) 5.803 10.527 ( -0.892 -0.290 -0.103) 0.944 10.575 ( -4.111 -5.273 -3.816) 7.699 10.620 ( -6.020 -5.736 1.821) 8.512 10.789 ( 2.274 4.294 -1.999) 5.254 10.869 ( -1.215 6.007 2.311) 6.550 11.015 ( -2.088 -1.592 2.241) 3.452 11.104 ( 1.823 1.653 -2.435) 3.462 11.155 ( 4.665 -7.878 1.243) 9.240 11.270 ( 2.860 -1.336 1.346) 3.432 11.414 ( 3.350 3.687 -3.692) 6.200 11.512 ( 0.118 2.076 -9.589) 9.812 11.655 ( -2.710 0.575 2.237) 3.560 11.679 ( -1.529 2.254 -2.519) 3.710 11.918 ( -2.591 4.839 -0.737) 5.539 12.016 ( -2.815 -1.186 1.975) 3.638 12.256 ( -2.108 0.520 0.469) 2.221 12.310 ( -2.323 -1.357 -3.408) 4.342 12.362 ( -2.184 3.406 -2.615) 4.817 12.515 ( 3.651 1.286 -2.632) 4.682 12.593 ( 0.407 -2.107 9.458) 9.698 12.691 ( 2.508 -2.524 2.134) 4.149 12.837 ( -0.002 2.914 -2.246) 3.679 12.958 ( -1.770 -1.650 -0.692) 2.517 13.146 ( -1.005 -0.497 -0.566) 1.256 13.180 ( -1.207 -2.063 -1.175) 2.663 13.343 ( -3.496 1.005 -1.187) 3.827 13.434 ( 0.429 1.263 -2.136) 2.518 13.469 ( -0.946 1.934 -0.242) 2.166 13.515 ( -1.483 -3.229 -2.058) 4.106 13.624 ( -3.050 1.213 1.867) 3.776 13.731 ( -1.360 0.753 -0.981) 1.838 13.887 ( -1.245 2.328 -4.074) 4.855 13.914 ( -0.312 -0.848 -3.533) 3.647 14.068 ( -1.244 -4.349 -0.221) 4.529 14.142 ( -0.373 -5.283 -0.311) 5.305 14.333 ( 0.485 5.033 2.371) 5.585 14.383 ( 1.080 2.059 3.296) 4.033 14.834 ( -1.194 0.513 0.466) 1.381 14.858 ( -1.627 0.046 1.091) 1.960 15.235 ( 0.197 1.377 -0.388) 1.444 15.287 ( -0.251 -0.324 2.331) 2.367 15.356 ( 1.687 0.709 -2.434) 3.046 15.404 ( 1.183 -1.041 1.014) 1.874 15.647 ( -1.534 -0.132 3.715) 4.022 15.652 ( -1.619 -0.133 3.582) 3.933 ======================= Grid point 77 (41/117) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -6.347 -49.628 8.144) 50.691 2.048 ( -6.347 49.628 8.144) 50.691 2.375 ( -9.580 -46.541 27.105) 54.704 2.375 ( -9.580 46.541 27.105) 54.704 3.590 ( 7.815 -63.412 45.219) 78.275 3.590 ( 7.815 63.412 45.219) 78.275 5.330 ( -3.028 -23.892 0.898) 24.100 5.330 ( -3.028 23.892 0.898) 24.100 5.504 ( -1.595 -21.904 4.675) 22.454 5.504 ( -1.595 21.904 4.675) 22.454 5.870 ( -0.153 -0.584 -15.536) 15.548 5.870 ( -0.153 0.584 -15.536) 15.548 6.267 ( -3.580 -3.886 -24.549) 25.111 6.267 ( -3.580 3.886 -24.549) 25.111 6.338 ( -3.751 -8.283 -20.931) 22.820 6.338 ( -3.751 8.283 -20.931) 22.820 6.971 ( 4.020 -2.401 4.441) 6.453 6.971 ( 4.020 2.401 4.441) 6.453 7.304 ( -2.287 -3.207 6.643) 7.723 7.304 ( -2.287 3.207 6.643) 7.723 7.388 ( 1.799 -3.144 6.736) 7.648 7.388 ( 1.799 3.144 6.736) 7.648 7.651 ( 0.152 -0.210 1.373) 1.397 7.651 ( 0.152 0.210 1.373) 1.397 7.914 ( -6.023 -15.193 5.332) 17.191 7.914 ( -6.023 15.193 5.332) 17.191 8.175 ( 2.985 -13.198 -6.005) 14.804 8.175 ( 2.985 13.198 -6.005) 14.804 8.277 ( 2.460 -5.454 0.250) 5.988 8.277 ( 2.460 5.454 0.250) 5.988 8.513 ( -2.122 -1.990 1.257) 3.169 8.513 ( -2.122 1.990 1.257) 3.169 8.659 ( 3.815 -11.695 6.325) 13.832 8.659 ( 3.815 11.695 6.325) 13.832 8.960 ( 3.322 -4.444 -8.519) 10.167 8.960 ( 3.322 4.444 -8.519) 10.167 9.534 ( 1.449 -4.337 -5.323) 7.018 9.534 ( 1.449 4.337 -5.323) 7.018 9.767 ( -3.432 -2.627 -1.442) 4.556 9.767 ( -3.432 2.627 -1.442) 4.556 9.945 ( 4.542 -0.773 4.324) 6.318 9.945 ( 4.542 0.773 4.324) 6.318 10.243 ( -4.154 -0.389 0.659) 4.224 10.243 ( -4.154 0.389 0.659) 4.224 10.310 ( -3.589 -6.124 -1.857) 7.337 10.310 ( -3.589 6.124 -1.857) 7.337 10.589 ( 1.163 -2.909 2.155) 3.802 10.589 ( 1.163 2.909 2.155) 3.802 10.895 ( -2.361 -3.511 -0.333) 4.244 10.895 ( -2.361 3.511 -0.333) 4.244 11.048 ( 1.521 -8.374 0.060) 8.511 11.048 ( 1.521 8.374 0.060) 8.511 11.280 ( 5.000 -6.929 4.255) 9.545 11.280 ( 5.000 6.929 4.255) 9.545 11.469 ( 1.043 -1.431 -2.475) 3.043 11.469 ( 1.043 1.431 -2.475) 3.043 11.671 ( -0.050 -0.587 -2.897) 2.956 11.671 ( -0.050 0.587 -2.897) 2.956 11.961 ( 0.432 -0.381 -1.283) 1.406 11.961 ( 0.432 0.381 -1.283) 1.406 12.260 ( 1.114 -1.185 -2.311) 2.826 12.260 ( 1.114 1.185 -2.311) 2.826 12.437 ( -0.930 -8.336 2.868) 8.865 12.437 ( -0.930 8.336 2.868) 8.865 12.694 ( 2.296 -4.208 1.351) 4.980 12.694 ( 2.296 4.208 1.351) 4.980 12.893 ( 0.410 -2.563 -2.527) 3.623 12.893 ( 0.410 2.563 -2.527) 3.623 13.138 ( 0.719 -0.493 -0.629) 1.076 13.138 ( 0.719 0.493 -0.629) 1.076 13.382 ( 0.304 -4.991 -2.579) 5.626 13.382 ( 0.304 4.991 -2.579) 5.626 13.471 ( -0.666 -1.144 -0.331) 1.365 13.471 ( -0.666 1.144 -0.331) 1.365 13.670 ( 0.945 -6.027 0.906) 6.168 13.670 ( 0.945 6.027 0.906) 6.168 13.916 ( 0.384 -2.972 0.612) 3.058 13.916 ( 0.384 2.972 0.612) 3.058 14.026 ( -0.325 -3.314 -3.426) 4.778 14.026 ( -0.325 3.314 -3.426) 4.778 14.411 ( -0.037 -1.637 2.813) 3.255 14.411 ( -0.037 1.637 2.813) 3.255 14.834 ( -0.507 -0.504 1.229) 1.422 14.834 ( -0.507 0.504 1.229) 1.422 15.256 ( -1.120 -2.290 -0.808) 2.674 15.256 ( -1.120 2.290 -0.808) 2.674 15.402 ( 0.968 -1.726 1.282) 2.358 15.402 ( 0.968 1.726 1.282) 2.358 15.623 ( -2.291 -0.412 2.534) 3.441 15.623 ( -2.291 0.412 2.534) 3.441 ======================= Grid point 79 (42/117) ======================= q-point: ( 0.09 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 12.844 -39.298 15.406) 44.121 2.155 ( 12.844 39.298 15.406) 44.121 2.460 ( 10.094 -37.080 25.909) 46.347 2.460 ( 10.094 37.080 25.909) 46.347 4.235 ( 33.915 -54.056 39.596) 75.101 4.235 ( 33.915 54.056 39.596) 75.101 5.299 ( -0.653 -27.614 0.013) 27.622 5.299 ( -0.653 27.614 0.013) 27.622 5.470 ( -1.764 -23.726 -1.964) 23.873 5.470 ( -1.764 23.726 -1.964) 23.873 5.827 ( 1.965 -1.813 -14.317) 14.564 5.827 ( 1.965 1.813 -14.317) 14.564 6.079 ( -6.221 -1.265 -21.757) 22.664 6.079 ( -6.221 1.265 -21.757) 22.664 6.176 ( -2.720 -9.807 -23.519) 25.627 6.176 ( -2.720 9.807 -23.519) 25.627 6.957 ( -7.967 -2.999 2.959) 9.012 6.957 ( -7.967 2.999 2.959) 9.012 7.237 ( -1.807 -7.154 -0.462) 7.393 7.237 ( -1.807 7.154 -0.462) 7.393 7.478 ( 0.083 -7.681 5.956) 9.720 7.478 ( 0.083 7.681 5.956) 9.720 7.584 ( -7.363 -5.345 1.118) 9.167 7.584 ( -7.363 5.345 1.118) 9.167 7.835 ( -2.121 -7.906 5.256) 9.727 7.835 ( -2.121 7.906 5.256) 9.727 8.107 ( -4.243 -5.954 -3.574) 8.138 8.107 ( -4.243 5.954 -3.574) 8.138 8.298 ( -2.649 -5.038 -3.562) 6.714 8.298 ( -2.649 5.038 -3.562) 6.714 8.520 ( 1.814 -13.734 5.929) 15.068 8.520 ( 1.814 13.734 5.929) 15.068 8.822 ( 7.528 -8.852 9.978) 15.316 8.822 ( 7.528 8.852 9.978) 15.316 8.941 ( -1.607 -2.147 -1.857) 3.262 8.941 ( -1.607 2.147 -1.857) 3.262 9.553 ( 0.992 -1.522 -5.308) 5.610 9.553 ( 0.992 1.522 -5.308) 5.610 9.734 ( 1.646 -2.449 0.620) 3.015 9.734 ( 1.646 2.449 0.620) 3.015 9.990 ( -0.511 -1.978 -1.439) 2.499 9.990 ( -0.511 1.978 -1.439) 2.499 10.202 ( 0.589 -7.634 0.356) 7.665 10.202 ( 0.589 7.634 0.356) 7.665 10.274 ( -0.253 -6.414 -1.036) 6.502 10.274 ( -0.253 6.414 -1.036) 6.502 10.611 ( 0.334 -2.234 -0.246) 2.272 10.611 ( 0.334 2.234 -0.246) 2.272 10.827 ( -3.771 -1.639 -1.472) 4.367 10.827 ( -3.771 1.639 -1.472) 4.367 11.038 ( -2.085 -5.568 1.595) 6.155 11.038 ( -2.085 5.568 1.595) 6.155 11.389 ( 1.487 -10.495 3.986) 11.325 11.389 ( 1.487 10.495 3.986) 11.325 11.485 ( 0.712 -2.636 -2.635) 3.795 11.485 ( 0.712 2.636 -2.635) 3.795 11.661 ( 0.929 -0.952 -1.494) 2.000 11.661 ( 0.929 0.952 -1.494) 2.000 11.980 ( 2.082 -3.411 -2.218) 4.570 11.980 ( 2.082 3.411 -2.218) 4.570 12.298 ( 2.846 -2.937 -1.731) 4.441 12.298 ( 2.846 2.937 -1.731) 4.441 12.456 ( 1.648 -9.117 4.076) 10.122 12.456 ( 1.648 9.117 4.076) 10.122 12.732 ( 1.073 -3.448 2.688) 4.501 12.732 ( 1.073 3.448 2.688) 4.501 12.880 ( -0.396 -1.441 -3.315) 3.636 12.880 ( -0.396 1.441 -3.315) 3.636 13.159 ( 1.225 -0.772 -0.120) 1.453 13.159 ( 1.225 0.772 -0.120) 1.453 13.385 ( 0.850 -3.034 -2.046) 3.757 13.385 ( 0.850 3.034 -2.046) 3.757 13.474 ( 1.741 -2.053 -1.424) 3.045 13.474 ( 1.741 2.053 -1.424) 3.045 13.718 ( 3.185 -8.440 -1.106) 9.088 13.718 ( 3.185 8.440 -1.106) 9.088 13.928 ( 0.103 -6.664 2.807) 7.232 13.928 ( 0.103 6.664 2.807) 7.232 14.029 ( 2.356 -1.833 -3.373) 4.505 14.029 ( 2.356 1.833 -3.373) 4.505 14.419 ( -0.156 -1.514 2.691) 3.092 14.419 ( -0.156 1.514 2.691) 3.092 14.840 ( 0.665 -1.171 0.745) 1.539 14.840 ( 0.665 1.171 0.745) 1.539 15.221 ( -1.863 -2.404 -1.557) 3.417 15.221 ( -1.863 2.404 -1.557) 3.417 15.425 ( 0.834 -1.697 1.647) 2.507 15.425 ( 0.834 1.697 1.647) 2.507 15.578 ( -2.980 -0.882 1.763) 3.573 15.578 ( -2.980 0.882 1.763) 3.573 ======================= Grid point 81 (43/117) ======================= q-point: ( 0.18 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 29.840 -18.975 20.817) 41.034 2.669 ( 29.840 18.975 20.817) 41.034 2.943 ( 28.238 -26.447 12.656) 40.706 2.943 ( 28.238 26.447 12.656) 40.706 5.053 ( 26.276 -28.485 16.392) 42.078 5.053 ( 26.276 28.485 16.392) 42.078 5.314 ( 5.830 -18.770 3.922) 20.042 5.314 ( 5.830 18.770 3.922) 20.042 5.477 ( 5.968 -20.495 -1.703) 21.414 5.477 ( 5.968 20.495 -1.703) 21.414 5.798 ( -1.822 -14.894 -11.619) 18.977 5.798 ( -1.822 14.894 -11.619) 18.977 5.892 ( -0.827 -9.835 -18.351) 20.837 5.892 ( -0.827 9.835 -18.351) 20.837 6.053 ( 0.253 -9.301 -24.166) 25.896 6.053 ( 0.253 9.301 -24.166) 25.896 6.743 ( -12.041 -1.265 -1.296) 12.176 6.743 ( -12.041 1.265 -1.296) 12.176 7.174 ( -6.226 -4.254 -5.039) 9.070 7.174 ( -6.226 4.254 -5.039) 9.070 7.294 ( -11.942 -6.693 2.828) 13.979 7.294 ( -11.942 6.693 2.828) 13.979 7.559 ( -1.950 -4.728 6.492) 8.264 7.559 ( -1.950 4.728 6.492) 8.264 7.846 ( -0.994 -10.118 6.507) 12.070 7.846 ( -0.994 10.118 6.507) 12.070 8.010 ( -3.805 -2.913 -3.737) 6.076 8.010 ( -3.805 2.913 -3.737) 6.076 8.190 ( -5.515 -5.408 1.242) 7.823 8.190 ( -5.515 5.408 1.242) 7.823 8.544 ( -3.490 -10.837 9.208) 14.643 8.544 ( -3.490 10.837 9.208) 14.643 8.903 ( -0.220 -7.448 4.507) 8.708 8.903 ( -0.220 7.448 4.507) 8.708 9.054 ( 8.826 -10.757 9.200) 16.680 9.054 ( 8.826 10.757 9.200) 16.680 9.520 ( -1.345 -1.201 -3.737) 4.149 9.520 ( -1.345 1.201 -3.737) 4.149 9.791 ( 0.936 -1.678 1.978) 2.757 9.791 ( 0.936 1.678 1.978) 2.757 9.966 ( 0.258 -2.700 -1.881) 3.301 9.966 ( 0.258 2.700 -1.881) 3.301 10.234 ( 1.581 -9.430 0.583) 9.580 10.234 ( 1.581 9.430 0.583) 9.580 10.276 ( 0.860 -6.413 -4.915) 8.126 10.276 ( 0.860 6.413 -4.915) 8.126 10.586 ( -2.741 -1.145 -1.401) 3.285 10.586 ( -2.741 1.145 -1.401) 3.285 10.753 ( -2.601 -0.570 -2.167) 3.433 10.753 ( -2.601 0.570 -2.167) 3.433 10.989 ( -3.546 -2.713 2.276) 5.011 10.989 ( -3.546 2.713 2.276) 5.011 11.329 ( -7.748 -9.743 0.076) 12.448 11.329 ( -7.748 9.743 0.076) 12.448 11.453 ( -1.529 -5.960 -2.865) 6.788 11.453 ( -1.529 5.960 -2.865) 6.788 11.721 ( 4.515 -1.020 -1.823) 4.975 11.721 ( 4.515 1.020 -1.823) 4.975 12.030 ( 3.548 -4.951 -0.334) 6.100 12.030 ( 3.548 4.951 -0.334) 6.100 12.337 ( 1.654 -3.773 -1.646) 4.436 12.337 ( 1.654 3.773 -1.646) 4.436 12.532 ( 3.847 -8.344 4.981) 10.451 12.532 ( 3.847 8.344 4.981) 10.451 12.771 ( 1.551 -2.697 4.572) 5.530 12.771 ( 1.551 2.697 4.572) 5.530 12.871 ( 1.151 -1.006 -3.223) 3.567 12.871 ( 1.151 1.006 -3.223) 3.567 13.178 ( 0.525 -1.318 -0.072) 1.420 13.178 ( 0.525 1.318 -0.072) 1.420 13.399 ( 0.976 -2.162 -0.630) 2.454 13.399 ( 0.976 2.162 -0.630) 2.454 13.529 ( 4.241 -2.398 -2.264) 5.372 13.529 ( 4.241 2.398 -2.264) 5.372 13.762 ( 1.717 -9.925 -2.412) 10.357 13.762 ( 1.717 9.925 -2.412) 10.357 13.947 ( 0.649 -7.620 2.279) 7.980 13.947 ( 0.649 7.620 2.279) 7.980 14.089 ( 4.552 -0.421 -2.472) 5.196 14.089 ( 4.552 0.421 -2.472) 5.196 14.427 ( -0.120 -0.996 2.264) 2.476 14.427 ( -0.120 0.996 2.264) 2.476 14.861 ( 1.178 -2.072 -0.202) 2.392 14.861 ( 1.178 2.072 -0.202) 2.392 15.171 ( -2.409 -1.596 -1.743) 3.374 15.171 ( -2.409 1.596 -1.743) 3.374 15.449 ( 1.138 -1.494 0.549) 1.957 15.449 ( 1.138 1.494 0.549) 1.957 15.526 ( -2.779 -1.797 2.175) 3.960 15.526 ( -2.779 1.797 2.175) 3.960 ======================= Grid point 83 (44/117) ======================= q-point: ( 0.27 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 36.512 -7.132 17.482) 41.105 3.427 ( 36.512 7.132 17.482) 41.105 3.618 ( 35.206 -15.507 4.085) 38.686 3.618 ( 35.206 15.507 4.085) 38.686 5.173 ( -0.609 -17.588 -5.912) 18.565 5.173 ( -0.609 17.588 -5.912) 18.565 5.392 ( 1.516 -4.219 -17.632) 18.193 5.392 ( 1.516 4.219 -17.632) 18.193 5.688 ( 3.989 -16.356 -8.788) 18.991 5.688 ( 3.989 16.356 -8.788) 18.991 5.806 ( 0.635 -7.827 -17.578) 19.252 5.806 ( 0.635 7.827 -17.578) 19.252 5.984 ( 8.919 -8.974 -2.778) 12.954 5.984 ( 8.919 8.974 -2.778) 12.954 6.075 ( 14.948 -10.787 0.975) 18.460 6.075 ( 14.948 10.787 0.975) 18.460 6.538 ( -5.613 -6.143 1.618) 8.477 6.538 ( -5.613 6.143 1.618) 8.477 6.932 ( -12.354 -0.661 -1.134) 12.423 6.932 ( -12.354 0.661 -1.134) 12.423 7.174 ( -2.545 -10.134 2.796) 10.817 7.174 ( -2.545 10.134 2.796) 10.817 7.474 ( -8.624 -5.875 4.379) 11.316 7.474 ( -8.624 5.875 4.379) 11.316 7.784 ( -5.333 -12.391 4.006) 14.073 7.784 ( -5.333 12.391 4.006) 14.073 7.971 ( -1.054 -6.791 3.921) 7.912 7.971 ( -1.054 6.791 3.921) 7.912 8.132 ( -2.159 -7.962 3.039) 8.791 8.132 ( -2.159 7.962 3.039) 8.791 8.481 ( -5.671 -8.204 11.224) 15.015 8.481 ( -5.671 8.204 11.224) 15.015 8.920 ( -0.628 -4.789 4.100) 6.336 8.920 ( -0.628 4.789 4.100) 6.336 9.187 ( 0.036 -1.999 3.686) 4.194 9.187 ( 0.036 1.999 3.686) 4.194 9.526 ( 3.195 -6.558 1.371) 7.423 9.526 ( 3.195 6.558 1.371) 7.423 9.758 ( -4.094 -0.867 2.034) 4.653 9.758 ( -4.094 0.867 2.034) 4.653 9.987 ( -0.757 -3.038 4.076) 5.140 9.987 ( -0.757 3.038 4.076) 5.140 10.196 ( -3.960 -4.034 -9.465) 11.024 10.196 ( -3.960 4.034 -9.465) 11.024 10.280 ( 0.571 -8.286 0.771) 8.341 10.280 ( 0.571 8.286 0.771) 8.341 10.507 ( -3.938 -1.160 -1.438) 4.350 10.507 ( -3.938 1.160 -1.438) 4.350 10.707 ( -1.332 -1.485 -1.475) 2.481 10.707 ( -1.332 1.485 -1.475) 2.481 10.920 ( -3.839 -2.955 1.706) 5.137 10.920 ( -3.839 2.955 1.706) 5.137 11.160 ( -6.845 -4.658 -0.822) 8.320 11.160 ( -6.845 4.658 -0.822) 8.320 11.438 ( 1.537 -7.139 -3.524) 8.109 11.438 ( 1.537 7.139 -3.524) 8.109 11.794 ( 3.721 -3.049 -2.784) 5.558 11.794 ( 3.721 3.049 -2.784) 5.558 12.111 ( 4.122 -4.599 0.982) 6.253 12.111 ( 4.122 4.599 0.982) 6.253 12.359 ( 1.331 -3.137 -0.775) 3.495 12.359 ( 1.331 3.137 -0.775) 3.495 12.635 ( 4.217 -5.834 4.776) 8.639 12.635 ( 4.217 5.834 4.776) 8.639 12.833 ( 2.490 -1.098 5.941) 6.535 12.833 ( 2.490 1.098 5.941) 6.535 12.895 ( 2.369 -1.952 -3.731) 4.832 12.895 ( 2.369 1.952 -3.731) 4.832 13.173 ( -1.071 -1.650 -0.857) 2.146 13.173 ( -1.071 1.650 -0.857) 2.146 13.410 ( 0.097 -2.236 0.075) 2.239 13.410 ( 0.097 2.236 0.075) 2.239 13.610 ( 4.285 -2.856 -1.255) 5.301 13.610 ( 4.285 2.856 -1.255) 5.301 13.776 ( 0.912 -7.714 -1.911) 7.999 13.776 ( 0.912 7.714 -1.911) 7.999 13.964 ( 0.553 -6.002 -0.143) 6.029 13.964 ( 0.553 6.002 -0.143) 6.029 14.177 ( 4.799 -1.276 -1.640) 5.229 14.177 ( 4.799 1.276 -1.640) 5.229 14.427 ( -0.649 -1.115 0.988) 1.625 14.427 ( -0.649 1.115 0.988) 1.625 14.881 ( 1.051 -2.794 -1.083) 3.176 14.881 ( 1.051 2.794 -1.083) 3.176 15.117 ( -2.173 -0.327 -1.548) 2.688 15.117 ( -2.173 0.327 -1.548) 2.688 15.466 ( 0.441 -2.195 -3.328) 4.011 15.466 ( 0.441 2.195 -3.328) 4.011 15.501 ( -0.578 -2.034 5.723) 6.101 15.501 ( -0.578 2.034 5.723) 6.101 ======================= Grid point 85 (45/117) ======================= q-point: ( 0.36 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.185 ( 32.647 -4.353 9.345) 34.236 4.185 ( 32.647 4.353 9.345) 34.236 4.359 ( 37.359 -4.507 2.599) 37.719 4.359 ( 37.359 4.507 2.599) 37.719 5.130 ( 0.145 -14.696 -6.924) 16.246 5.130 ( 0.145 14.696 -6.924) 16.246 5.369 ( 1.186 -10.559 -7.903) 13.243 5.369 ( 1.186 10.559 -7.903) 13.243 5.681 ( -0.600 -10.130 -23.955) 26.016 5.681 ( -0.600 10.130 -23.955) 26.016 5.756 ( 3.208 -15.794 -10.430) 19.197 5.756 ( 3.208 15.794 -10.430) 19.197 6.068 ( 5.628 -11.948 -12.388) 18.108 6.068 ( 5.628 11.948 -12.388) 18.108 6.187 ( -0.823 -4.708 -0.067) 4.780 6.187 ( -0.823 4.708 -0.067) 4.780 6.463 ( -8.030 -3.453 0.853) 8.783 6.463 ( -8.030 3.453 0.853) 8.783 6.732 ( -10.858 -4.329 4.321) 12.462 6.732 ( -10.858 4.329 4.321) 12.462 7.249 ( -2.400 -6.201 1.182) 6.754 7.249 ( -2.400 6.201 1.182) 6.754 7.401 ( 10.054 -8.553 8.013) 15.442 7.401 ( 10.054 8.553 8.013) 15.442 7.731 ( -2.079 -13.992 9.043) 16.789 7.731 ( -2.079 13.992 9.043) 16.789 7.946 ( -6.028 -7.965 11.721) 15.400 7.946 ( -6.028 7.965 11.721) 15.400 8.099 ( 0.121 -13.117 1.086) 13.163 8.099 ( 0.121 13.117 1.086) 13.163 8.435 ( -2.283 -13.116 1.505) 13.398 8.435 ( -2.283 13.116 1.505) 13.398 8.896 ( -3.929 -3.021 5.755) 7.595 8.896 ( -3.929 3.021 5.755) 7.595 9.122 ( -5.786 -3.149 1.284) 6.712 9.122 ( -5.786 3.149 1.284) 6.712 9.548 ( -5.663 -5.187 -0.594) 7.703 9.548 ( -5.663 5.187 -0.594) 7.703 9.672 ( -4.718 -3.237 1.168) 5.840 9.672 ( -4.718 3.237 1.168) 5.840 9.859 ( -9.125 -1.446 1.622) 9.380 9.859 ( -9.125 1.446 1.622) 9.380 10.170 ( 2.727 -9.322 2.124) 9.942 10.170 ( 2.727 9.322 2.124) 9.942 10.285 ( 0.210 -7.486 -0.586) 7.512 10.285 ( 0.210 7.486 -0.586) 7.512 10.419 ( -4.130 -1.140 -0.952) 4.389 10.419 ( -4.130 1.140 -0.952) 4.389 10.684 ( -0.802 -1.670 0.018) 1.853 10.684 ( -0.802 1.670 0.018) 1.853 10.876 ( -0.753 -3.088 1.104) 3.365 10.876 ( -0.753 3.088 1.104) 3.365 11.090 ( -0.292 -3.056 -0.576) 3.124 11.090 ( -0.292 3.056 -0.576) 3.124 11.477 ( 3.370 -6.264 -3.808) 8.068 11.477 ( 3.370 6.264 -3.808) 8.068 11.851 ( 2.931 -5.260 -1.310) 6.163 11.851 ( 2.931 5.260 -1.310) 6.163 12.189 ( 3.092 -2.681 0.709) 4.153 12.189 ( 3.092 2.681 0.709) 4.153 12.388 ( 1.564 -1.947 0.561) 2.559 12.388 ( 1.564 1.947 0.561) 2.559 12.723 ( 2.333 -1.224 3.535) 4.409 12.723 ( 2.333 1.224 3.535) 4.409 12.905 ( 2.188 -3.628 3.392) 5.427 12.905 ( 2.188 3.628 3.392) 5.427 12.932 ( 2.842 -2.642 -2.327) 4.524 12.932 ( 2.842 2.642 -2.327) 4.524 13.125 ( -3.146 -1.962 -1.005) 3.842 13.125 ( -3.146 1.962 -1.005) 3.842 13.403 ( -0.772 -1.747 0.449) 1.962 13.403 ( -0.772 1.747 0.449) 1.962 13.677 ( 2.574 -1.999 -0.743) 3.343 13.677 ( 2.574 1.999 -0.743) 3.343 13.790 ( 1.270 -4.346 -1.385) 4.735 13.790 ( 1.270 4.346 -1.385) 4.735 13.970 ( 0.380 -4.631 -1.331) 4.833 13.970 ( 0.380 4.631 -1.331) 4.833 14.252 ( 2.919 -1.195 -1.200) 3.375 14.252 ( 2.919 1.195 -1.200) 3.375 14.410 ( -0.895 -1.507 -0.719) 1.894 14.410 ( -0.895 1.507 -0.719) 1.894 14.892 ( 0.611 -3.243 -1.790) 3.755 14.892 ( 0.611 3.243 -1.790) 3.755 15.082 ( -0.648 -0.884 -0.835) 1.378 15.082 ( -0.648 0.884 -0.835) 1.378 15.448 ( -0.807 -3.642 -1.991) 4.229 15.448 ( -0.807 3.642 -1.991) 4.229 15.538 ( 1.659 -0.934 4.454) 4.844 15.538 ( 1.659 0.934 4.454) 4.844 ======================= Grid point 87 (46/117) ======================= q-point: ( 0.45 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.770 ( 22.277 -1.782 2.530) 22.491 4.770 ( 22.277 1.782 2.530) 22.491 5.045 ( 22.849 -5.131 0.271) 23.419 5.045 ( 22.849 5.131 0.271) 23.419 5.133 ( 1.950 -14.408 2.269) 14.716 5.133 ( 1.950 14.408 2.269) 14.716 5.320 ( 0.567 -7.679 -7.190) 10.534 5.320 ( 0.567 7.679 -7.190) 10.534 5.547 ( -7.719 -12.671 -10.555) 18.209 5.547 ( -7.719 12.671 -10.555) 18.209 5.806 ( 7.949 -10.124 -10.188) 16.416 5.806 ( 7.949 10.124 -10.188) 16.416 6.094 ( -1.718 -6.767 -5.193) 8.701 6.094 ( -1.718 6.767 -5.193) 8.701 6.137 ( 3.811 -6.414 -10.795) 13.122 6.137 ( 3.811 6.414 -10.795) 13.122 6.416 ( 2.992 -5.172 -2.006) 6.302 6.416 ( 2.992 5.172 -2.006) 6.302 6.565 ( -4.144 -3.709 8.206) 9.913 6.565 ( -4.144 3.709 8.206) 9.913 7.151 ( -3.072 -2.167 -5.247) 6.455 7.151 ( -3.072 2.167 -5.247) 6.455 7.472 ( -9.727 -18.071 7.826) 21.964 7.472 ( -9.727 18.071 7.826) 21.964 7.803 ( -6.408 -10.446 12.190) 17.285 7.803 ( -6.408 10.446 12.190) 17.285 7.876 ( 4.433 -6.627 2.149) 8.258 7.876 ( 4.433 6.627 2.149) 8.258 8.193 ( 3.456 -8.604 4.076) 10.129 8.193 ( 3.456 8.604 4.076) 10.129 8.349 ( -4.538 -11.684 -10.066) 16.076 8.349 ( -4.538 11.684 -10.066) 16.076 8.745 ( -13.018 -10.569 3.088) 17.050 8.745 ( -13.018 10.569 3.088) 17.050 9.070 ( 1.613 -0.899 8.408) 8.608 9.070 ( 1.613 0.899 8.408) 8.608 9.387 ( -5.128 -5.377 -0.168) 7.432 9.387 ( -5.128 5.377 -0.168) 7.432 9.574 ( -3.628 -3.485 -2.400) 5.574 9.574 ( -3.628 3.485 -2.400) 5.574 9.758 ( -4.452 -2.208 3.448) 6.049 9.758 ( -4.452 2.208 3.448) 6.049 10.173 ( -3.927 -11.610 3.428) 12.727 10.173 ( -3.927 11.610 3.428) 12.727 10.325 ( 2.980 -5.006 -1.515) 6.019 10.325 ( 2.980 5.006 -1.515) 6.019 10.394 ( 2.789 -1.133 2.615) 3.987 10.394 ( 2.789 1.133 2.615) 3.987 10.677 ( -0.165 -1.886 1.922) 2.697 10.677 ( -0.165 1.886 1.922) 2.697 10.888 ( 0.884 -3.821 1.585) 4.230 10.888 ( 0.884 3.821 1.585) 4.230 11.110 ( 1.569 -2.976 0.061) 3.364 11.110 ( 1.569 2.976 0.061) 3.364 11.523 ( 2.364 -4.598 -3.225) 6.094 11.523 ( 2.364 4.598 -3.225) 6.094 11.903 ( 2.335 -6.806 1.118) 7.282 11.903 ( 2.335 6.806 1.118) 7.282 12.237 ( 1.639 -0.213 0.163) 1.661 12.237 ( 1.639 0.213 0.163) 1.661 12.419 ( 0.909 -1.562 1.599) 2.413 12.419 ( 0.909 1.562 1.599) 2.413 12.736 ( -2.030 -1.303 0.717) 2.517 12.736 ( -2.030 1.303 0.717) 2.517 12.911 ( -2.496 -3.472 -4.021) 5.870 12.911 ( -2.496 3.472 -4.021) 5.870 12.990 ( 2.701 -0.416 1.075) 2.937 12.990 ( 2.701 0.416 1.075) 2.937 13.080 ( -0.070 -5.266 2.617) 5.881 13.080 ( -0.070 5.266 2.617) 5.881 13.392 ( -0.361 -1.766 0.534) 1.880 13.392 ( -0.361 1.766 0.534) 1.880 13.699 ( 0.009 -1.090 -1.667) 1.991 13.699 ( 0.009 1.090 -1.667) 1.991 13.815 ( 1.416 -2.290 -0.755) 2.797 13.815 ( 1.416 2.290 -0.755) 2.797 13.970 ( 0.326 -3.455 -1.637) 3.837 13.970 ( 0.326 3.455 -1.637) 3.837 14.276 ( 0.051 -1.039 -0.924) 1.391 14.276 ( 0.051 1.039 -0.924) 1.391 14.399 ( 0.412 -2.264 -1.931) 3.004 14.399 ( 0.412 2.264 -1.931) 3.004 14.891 ( 0.216 -3.167 -2.260) 3.897 14.891 ( 0.216 3.167 -2.260) 3.897 15.086 ( 0.997 -1.135 0.447) 1.575 15.086 ( 0.997 1.135 0.447) 1.575 15.418 ( -1.434 -3.969 -1.815) 4.594 15.418 ( -1.434 3.969 -1.815) 4.594 15.593 ( 1.864 -0.502 4.402) 4.807 15.593 ( 1.864 0.502 4.402) 4.807 ======================= Grid point 89 (47/117) ======================= q-point: (-0.45 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.705 ( -26.858 -8.875 2.020) 28.359 4.705 ( -26.858 8.875 2.020) 28.359 4.997 ( -21.602 -12.583 -6.147) 25.744 4.997 ( -21.602 12.583 -6.147) 25.744 5.244 ( 8.258 -6.783 -0.206) 10.688 5.244 ( 8.258 6.783 -0.206) 10.688 5.442 ( 9.060 -4.272 1.266) 10.097 5.442 ( 9.060 4.272 1.266) 10.097 5.664 ( 19.231 -2.337 3.686) 19.720 5.664 ( 19.231 2.337 3.686) 19.720 5.974 ( 10.631 -5.372 -10.621) 15.958 5.974 ( 10.631 5.372 -10.621) 15.958 6.158 ( 7.591 -5.665 -3.663) 10.155 6.158 ( 7.591 5.665 -3.663) 10.155 6.246 ( 9.625 -0.606 -6.308) 11.524 6.246 ( 9.625 0.606 -6.308) 11.524 6.421 ( 3.990 -6.000 -2.312) 7.568 6.421 ( 3.990 6.000 -2.312) 7.568 6.709 ( 8.845 -5.819 12.348) 16.266 6.709 ( 8.845 5.819 12.348) 16.266 7.080 ( -4.107 -0.769 -3.817) 5.659 7.080 ( -4.107 0.769 -3.817) 5.659 7.272 ( -7.973 -14.188 -0.765) 16.293 7.272 ( -7.973 14.188 -0.765) 16.293 7.628 ( -14.229 -10.673 6.688) 19.003 7.628 ( -14.229 10.673 6.688) 19.003 7.852 ( -12.664 -3.135 -1.091) 13.092 7.852 ( -12.664 3.135 -1.091) 13.092 8.067 ( -4.674 -3.079 -8.452) 10.137 8.067 ( -4.674 3.079 -8.452) 10.137 8.217 ( -5.157 -10.365 -2.608) 11.867 8.217 ( -5.157 10.365 -2.608) 11.867 8.713 ( 7.059 -7.519 2.817) 10.692 8.713 ( 7.059 7.519 2.817) 10.692 9.168 ( 1.943 -4.230 7.179) 8.556 9.168 ( 1.943 4.230 7.179) 8.556 9.326 ( -2.684 -2.783 0.512) 3.900 9.326 ( -2.684 2.783 0.512) 3.900 9.584 ( 4.501 -9.211 0.854) 10.287 9.584 ( 4.501 9.211 0.854) 10.287 9.680 ( -2.602 -1.696 -2.135) 3.769 9.680 ( -2.602 1.696 -2.135) 3.769 10.138 ( 1.023 -9.287 2.636) 9.708 10.138 ( 1.023 9.287 2.636) 9.708 10.364 ( 2.364 -2.853 -0.815) 3.793 10.364 ( 2.364 2.853 -0.815) 3.793 10.493 ( 3.501 -4.202 4.430) 7.038 10.493 ( 3.501 4.202 4.430) 7.038 10.696 ( 1.325 -1.182 2.801) 3.316 10.696 ( 1.325 1.182 2.801) 3.316 10.908 ( -0.002 -5.001 2.953) 5.808 10.908 ( -0.002 5.001 2.953) 5.808 11.134 ( 0.654 -2.905 0.813) 3.087 11.134 ( 0.654 2.905 0.813) 3.087 11.535 ( -0.101 -4.010 -2.906) 4.953 11.535 ( -0.101 4.010 -2.906) 4.953 11.952 ( 1.584 -6.309 3.506) 7.389 11.952 ( 1.584 6.309 3.506) 7.389 12.246 ( -1.302 -1.841 -0.046) 2.256 12.246 ( -1.302 1.841 -0.046) 2.256 12.435 ( 0.123 -2.042 2.458) 3.198 12.435 ( 0.123 2.042 2.458) 3.198 12.665 ( -4.104 -0.940 -1.760) 4.563 12.665 ( -4.104 0.940 -1.760) 4.563 12.793 ( -6.420 -4.395 -4.801) 9.142 12.793 ( -6.420 4.395 -4.801) 9.142 13.026 ( 0.554 -1.869 0.324) 1.976 13.026 ( 0.554 1.869 0.324) 1.976 13.134 ( 2.934 -4.398 2.869) 6.015 13.134 ( 2.934 4.398 2.869) 6.015 13.399 ( 0.788 -1.938 1.086) 2.358 13.399 ( 0.788 1.938 1.086) 2.358 13.670 ( -1.831 -3.075 -2.467) 4.347 13.670 ( -1.831 3.075 -2.467) 4.347 13.826 ( -0.113 -3.759 -1.192) 3.945 13.826 ( -0.113 3.759 -1.192) 3.945 13.977 ( 0.966 -1.983 -0.920) 2.390 13.977 ( 0.966 1.983 -0.920) 2.390 14.262 ( -0.626 -1.433 -1.577) 2.221 14.262 ( -0.626 1.433 -1.577) 2.221 14.398 ( -0.141 -2.173 -2.039) 2.984 14.398 ( -0.141 2.173 -2.039) 2.984 14.886 ( 0.277 -2.289 -2.208) 3.193 14.886 ( 0.277 2.289 -2.208) 3.193 15.119 ( 1.742 -1.269 1.692) 2.740 15.119 ( 1.742 1.269 1.692) 2.740 15.379 ( -1.636 -3.779 -1.951) 4.556 15.379 ( -1.636 3.779 -1.951) 4.556 15.641 ( 0.964 -0.853 4.638) 4.813 15.641 ( 0.964 0.853 4.638) 4.813 ======================= Grid point 91 (48/117) ======================= q-point: (-0.36 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.038 ( -39.356 -10.027 4.889) 40.906 4.038 ( -39.356 10.027 4.889) 40.906 4.411 ( -31.853 -20.489 -3.647) 38.049 4.411 ( -31.853 20.489 -3.647) 38.049 5.351 ( 1.900 -12.346 1.873) 12.631 5.351 ( 1.900 12.346 1.873) 12.631 5.667 ( 10.242 -6.621 3.509) 12.691 5.667 ( 10.242 6.621 3.509) 12.691 5.955 ( 2.951 -6.847 3.466) 8.223 5.955 ( 2.951 6.847 3.466) 8.223 6.064 ( -0.488 -5.105 -6.428) 8.223 6.064 ( -0.488 5.105 -6.428) 8.223 6.224 ( 0.567 -3.753 -0.882) 3.897 6.224 ( 0.567 3.753 -0.882) 3.897 6.418 ( 9.005 -3.554 -5.186) 10.982 6.418 ( 9.005 3.554 -5.186) 10.982 6.575 ( 4.833 -8.055 -2.196) 9.647 6.575 ( 4.833 8.055 -2.196) 9.647 6.807 ( 2.427 -10.794 5.963) 12.568 6.807 ( 2.427 10.794 5.963) 12.568 6.992 ( -7.535 -3.454 -4.994) 9.677 6.992 ( -7.535 3.454 -4.994) 9.677 7.192 ( 9.397 -2.326 8.375) 12.801 7.192 ( 9.397 2.326 8.375) 12.801 7.490 ( -4.024 -14.955 -6.891) 16.951 7.490 ( -4.024 14.955 -6.891) 16.951 7.642 ( 2.969 -8.061 -2.639) 8.987 7.642 ( 2.969 8.061 -2.639) 8.987 7.975 ( -2.784 -3.722 -0.704) 4.701 7.975 ( -2.784 3.722 -0.704) 4.701 8.193 ( 0.649 -18.728 2.713) 18.935 8.193 ( 0.649 18.728 2.713) 18.935 8.827 ( 1.504 -8.492 1.051) 8.688 8.827 ( 1.504 8.492 1.051) 8.688 9.170 ( -4.721 -7.468 0.347) 8.842 9.170 ( -4.721 7.468 0.347) 8.842 9.311 ( 3.810 -4.873 -2.494) 6.670 9.311 ( 3.810 4.873 -2.494) 6.670 9.604 ( 0.705 -5.987 -3.789) 7.120 9.604 ( 0.705 5.987 -3.789) 7.120 9.720 ( 3.498 -7.563 1.689) 8.502 9.720 ( 3.498 7.563 1.689) 8.502 10.250 ( 8.002 -0.961 -1.181) 8.146 10.250 ( 8.002 0.961 -1.181) 8.146 10.422 ( 2.813 -2.155 1.911) 4.026 10.422 ( 2.813 2.155 1.911) 4.026 10.541 ( 0.728 -5.033 3.381) 6.107 10.541 ( 0.728 5.033 3.381) 6.107 10.765 ( 4.404 -2.005 2.585) 5.486 10.765 ( 4.404 2.005 2.585) 5.486 10.907 ( -1.472 -5.838 4.382) 7.446 10.907 ( -1.472 5.838 4.382) 7.446 11.146 ( 0.279 -3.254 0.961) 3.405 11.146 ( 0.279 3.254 0.961) 3.405 11.497 ( -2.217 -4.836 -3.061) 6.138 11.497 ( -2.217 4.836 -3.061) 6.138 11.984 ( -0.744 -3.320 5.044) 6.084 11.984 ( -0.744 3.320 5.044) 6.084 12.175 ( -5.074 -2.933 -0.711) 5.904 12.175 ( -5.074 2.933 -0.711) 5.904 12.452 ( 0.275 -2.729 2.464) 3.687 12.452 ( 0.275 2.729 2.464) 3.687 12.574 ( -4.570 -2.225 -1.799) 5.392 12.574 ( -4.570 2.225 -1.799) 5.392 12.650 ( -4.975 -4.285 -4.582) 8.007 12.650 ( -4.975 4.285 -4.582) 8.007 13.021 ( -1.105 -2.401 0.433) 2.678 13.021 ( -1.105 2.401 0.433) 2.678 13.186 ( 1.358 -2.277 0.678) 2.737 13.186 ( 1.358 2.277 0.678) 2.737 13.428 ( 1.192 -2.200 1.890) 3.136 13.428 ( 1.192 2.200 1.890) 3.136 13.616 ( -2.288 -3.530 -2.626) 4.959 13.616 ( -2.288 3.530 -2.626) 4.959 13.806 ( -0.913 -4.987 -2.107) 5.490 13.806 ( -0.913 4.987 -2.107) 5.490 13.992 ( 0.222 -2.746 0.592) 2.818 13.992 ( 0.222 2.746 0.592) 2.818 14.236 ( -1.203 -2.112 -3.668) 4.400 14.236 ( -1.203 2.112 -3.668) 4.400 14.372 ( -1.511 -1.664 -0.922) 2.429 14.372 ( -1.511 1.664 -0.922) 2.429 14.887 ( 0.480 -0.861 -1.594) 1.874 14.887 ( 0.480 0.861 -1.594) 1.874 15.163 ( 1.728 -1.807 2.293) 3.392 15.163 ( 1.728 1.807 2.293) 3.392 15.346 ( -0.638 -3.115 -1.938) 3.723 15.346 ( -0.638 3.115 -1.938) 3.723 15.666 ( -0.328 -1.199 4.793) 4.952 15.666 ( -0.328 1.199 4.793) 4.952 ======================= Grid point 93 (49/117) ======================= q-point: (-0.27 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( -40.223 -15.497 9.672) 44.177 3.256 ( -40.223 15.497 9.672) 44.177 3.732 ( -35.049 -25.864 -0.333) 43.560 3.732 ( -35.049 25.864 -0.333) 43.560 5.370 ( -4.478 -18.400 2.014) 19.044 5.370 ( -4.478 18.400 2.014) 19.044 5.464 ( -38.322 -32.031 10.883) 51.117 5.464 ( -38.322 32.031 10.883) 51.117 5.804 ( -5.028 -12.425 1.819) 13.526 5.804 ( -5.028 12.425 1.819) 13.526 6.021 ( 1.167 -4.154 -1.377) 4.529 6.021 ( 1.167 4.154 -1.377) 4.529 6.260 ( 6.900 -4.180 -9.097) 12.158 6.260 ( 6.900 4.180 -9.097) 12.158 6.502 ( 1.406 -4.540 0.510) 4.781 6.502 ( 1.406 4.540 0.510) 4.781 6.729 ( 6.152 -3.990 -2.276) 7.677 6.729 ( 6.152 3.990 -2.276) 7.677 6.918 ( 13.456 -1.576 -8.664) 16.081 6.918 ( 13.456 1.576 -8.664) 16.081 7.141 ( 14.950 -3.622 3.409) 15.756 7.141 ( 14.950 3.622 3.409) 15.756 7.279 ( -4.301 -10.372 -16.857) 20.254 7.279 ( -4.301 10.372 -16.857) 20.254 7.466 ( 9.366 -1.093 14.605) 17.385 7.466 ( 9.366 1.093 14.605) 17.385 7.893 ( 7.326 -10.433 9.062) 15.641 7.893 ( 7.326 10.433 9.062) 15.641 8.012 ( 11.704 -0.853 -1.484) 11.829 8.012 ( 11.704 0.853 -1.484) 11.829 8.223 ( 1.663 -15.833 2.572) 16.127 8.223 ( 1.663 15.833 2.572) 16.127 8.800 ( -3.620 -3.728 1.389) 5.379 8.800 ( -3.620 3.728 1.389) 5.379 9.006 ( -8.792 -9.320 -2.822) 13.120 9.006 ( -8.792 9.320 -2.822) 13.120 9.427 ( 6.485 -6.728 -1.678) 9.494 9.427 ( 6.485 6.728 -1.678) 9.494 9.633 ( 3.648 -1.961 -7.076) 8.199 9.633 ( 3.648 1.961 -7.076) 8.199 9.790 ( 3.334 -5.373 1.930) 6.611 9.790 ( 3.334 5.373 1.930) 6.611 10.350 ( 1.727 -5.423 -5.142) 7.671 10.350 ( 1.727 5.423 -5.142) 7.671 10.457 ( 1.472 -1.395 1.672) 2.628 10.457 ( 1.472 1.395 1.672) 2.628 10.603 ( 2.672 -3.924 3.352) 5.811 10.603 ( 2.672 3.924 3.352) 5.811 10.852 ( 1.933 -6.358 0.768) 6.690 10.852 ( 1.933 6.358 0.768) 6.690 10.910 ( 1.056 -3.673 5.696) 6.859 10.910 ( 1.056 3.673 5.696) 6.859 11.156 ( 0.772 -4.287 -1.249) 4.532 11.156 ( 0.772 4.287 -1.249) 4.532 11.453 ( 0.148 -5.151 -3.167) 6.049 11.453 ( 0.148 5.151 -3.167) 6.049 11.919 ( -7.575 -0.614 2.521) 8.007 11.919 ( -7.575 0.614 2.521) 8.007 12.096 ( -2.281 -3.300 0.892) 4.109 12.096 ( -2.281 3.300 0.892) 4.109 12.407 ( -4.959 -2.702 -2.554) 6.198 12.407 ( -4.959 2.702 -2.554) 6.198 12.509 ( -1.264 -2.040 1.797) 2.998 12.509 ( -1.264 2.040 1.797) 2.998 12.580 ( -1.175 -2.050 -1.431) 2.763 12.580 ( -1.175 2.050 -1.431) 2.763 12.991 ( -1.882 -2.908 0.011) 3.464 12.991 ( -1.882 2.908 0.011) 3.464 13.196 ( -0.218 -1.426 -0.334) 1.480 13.196 ( -0.218 1.426 -0.334) 1.480 13.446 ( -0.251 -1.837 1.162) 2.188 13.446 ( -0.251 1.837 1.162) 2.188 13.565 ( -1.775 -3.062 -1.972) 4.052 13.565 ( -1.775 3.062 -1.972) 4.052 13.778 ( -1.133 -4.741 -2.414) 5.440 13.778 ( -1.133 4.741 -2.414) 5.440 13.980 ( -2.055 -4.426 2.334) 5.410 13.980 ( -2.055 4.426 2.334) 5.410 14.176 ( -2.574 -2.418 -6.965) 7.809 14.176 ( -2.574 2.418 -6.965) 7.809 14.350 ( -0.565 -0.616 1.719) 1.911 14.350 ( -0.565 0.616 1.719) 1.911 14.887 ( -0.151 -0.318 -0.733) 0.814 14.887 ( -0.151 0.318 -0.733) 0.814 15.205 ( 1.657 -2.111 2.040) 3.371 15.205 ( 1.657 2.111 2.040) 3.371 15.341 ( 0.796 -2.103 -1.610) 2.766 15.341 ( 0.796 2.103 -1.610) 2.766 15.669 ( -1.205 -1.117 4.770) 5.045 15.669 ( -1.205 1.117 4.770) 5.045 ======================= Grid point 95 (50/117) ======================= q-point: (-0.18 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -29.087 -27.294 18.036) 43.776 2.600 ( -29.087 27.294 18.036) 43.776 3.045 ( -33.237 -33.271 2.462) 47.093 3.045 ( -33.237 33.271 2.462) 47.093 4.543 ( -49.838 -46.766 19.021) 70.942 4.543 ( -49.838 46.766 19.021) 70.942 5.407 ( 0.381 -22.414 3.008) 22.618 5.407 ( 0.381 22.414 3.008) 22.618 5.648 ( -9.383 -19.932 3.088) 22.245 5.648 ( -9.383 19.932 3.088) 22.245 6.010 ( -1.106 -3.711 -7.377) 8.331 6.010 ( -1.106 3.711 -7.377) 8.331 6.380 ( 7.442 -2.373 -12.983) 15.151 6.380 ( 7.442 2.373 -12.983) 15.151 6.524 ( 1.672 -5.960 -3.385) 7.055 6.524 ( 1.672 5.960 -3.385) 7.055 6.823 ( 3.594 -5.640 -5.249) 8.502 6.823 ( 3.594 5.640 -5.249) 8.502 7.012 ( 0.857 -6.279 -4.861) 7.986 7.012 ( 0.857 6.279 -4.861) 7.986 7.275 ( 11.836 -1.519 -6.967) 13.818 7.275 ( 11.836 1.519 -6.967) 13.818 7.516 ( 10.839 -6.950 8.133) 15.229 7.516 ( 10.839 6.950 8.133) 15.229 7.686 ( 11.037 -3.902 8.033) 14.198 7.686 ( 11.037 3.902 8.033) 14.198 7.973 ( 0.883 -16.443 6.993) 17.890 7.973 ( 0.883 16.443 6.993) 17.890 8.188 ( 1.688 -12.330 4.410) 13.203 8.188 ( 1.688 12.330 4.410) 13.203 8.397 ( 13.139 -13.020 -3.213) 18.774 8.397 ( 13.139 13.020 -3.213) 18.774 8.704 ( -5.060 -5.565 0.543) 7.542 8.704 ( -5.060 5.565 0.543) 7.542 8.885 ( -2.100 -5.912 -0.791) 6.323 8.885 ( -2.100 5.912 -0.791) 6.323 9.515 ( 3.221 -8.639 -2.443) 9.538 9.515 ( 3.221 8.639 -2.443) 9.538 9.689 ( 4.704 -0.905 -4.484) 6.562 9.689 ( 4.704 0.905 -4.484) 6.562 9.855 ( 1.693 -4.430 1.100) 4.869 9.855 ( 1.693 4.430 1.100) 4.869 10.313 ( -1.341 -6.662 -4.825) 8.334 10.313 ( -1.341 6.662 -4.825) 8.334 10.505 ( 1.756 -3.155 -1.852) 4.058 10.505 ( 1.756 3.155 -1.852) 4.058 10.605 ( -4.046 -5.155 5.579) 8.606 10.605 ( -4.046 5.155 5.579) 8.606 10.878 ( 1.106 -8.546 1.337) 8.720 10.878 ( 1.106 8.546 1.337) 8.720 10.960 ( 1.385 -3.986 2.919) 5.131 10.960 ( 1.385 3.986 2.919) 5.131 11.168 ( 1.764 -4.343 -3.659) 5.947 11.168 ( 1.764 4.343 -3.659) 5.947 11.487 ( 3.566 -5.306 -5.313) 8.313 11.487 ( 3.566 5.306 -5.313) 8.313 11.762 ( -7.091 -0.621 0.491) 7.135 11.762 ( -7.091 0.621 0.491) 7.135 12.049 ( -3.491 -1.457 1.234) 3.979 12.049 ( -3.491 1.457 1.234) 3.979 12.317 ( -2.553 -1.743 -1.938) 3.648 12.317 ( -2.553 1.743 -1.938) 3.648 12.484 ( -1.518 -2.728 0.063) 3.122 12.484 ( -1.518 2.728 0.063) 3.122 12.580 ( 0.657 -3.962 2.094) 4.529 12.580 ( 0.657 3.962 2.094) 4.529 12.948 ( -2.170 -3.904 -1.014) 4.580 12.948 ( -2.170 3.904 -1.014) 4.580 13.179 ( -1.184 -1.151 -0.920) 1.890 13.179 ( -1.184 1.151 -0.920) 1.890 13.430 ( -1.241 -1.943 -0.671) 2.401 13.430 ( -1.241 1.943 -0.671) 2.401 13.526 ( -1.730 -1.901 -0.884) 2.718 13.526 ( -1.730 1.901 -0.884) 2.718 13.733 ( -2.544 -3.921 -1.482) 4.903 13.733 ( -2.544 3.921 -1.482) 4.903 13.941 ( -2.458 -4.323 3.033) 5.825 13.941 ( -2.458 4.323 3.033) 5.825 14.099 ( -1.765 -2.795 -7.233) 7.953 14.099 ( -1.765 2.795 -7.233) 7.953 14.363 ( 0.742 -0.803 2.937) 3.134 14.363 ( 0.742 0.803 2.937) 3.134 14.873 ( -1.097 -0.824 0.138) 1.379 14.873 ( -1.097 0.824 0.138) 1.379 15.244 ( 1.491 -1.907 1.424) 2.809 15.244 ( 1.491 1.907 1.424) 2.809 15.357 ( 1.156 -1.539 -1.061) 2.198 15.357 ( 1.156 1.539 -1.061) 2.198 15.661 ( -1.407 -0.643 4.399) 4.663 15.661 ( -1.407 0.643 4.399) 4.663 ======================= Grid point 97 (51/117) ======================= q-point: (-0.09 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -16.244 -31.981 19.300) 40.732 2.262 ( -16.244 31.981 19.300) 40.732 2.520 ( -17.785 -39.187 10.113) 44.207 2.520 ( -17.785 39.187 10.113) 44.207 3.744 ( -36.850 -58.996 34.373) 77.588 3.744 ( -36.850 58.996 34.373) 77.588 5.399 ( -2.739 -6.559 0.068) 7.108 5.399 ( -2.739 6.559 0.068) 7.108 5.521 ( -4.143 -9.236 6.954) 12.282 5.521 ( -4.143 9.236 6.954) 12.282 5.943 ( -1.422 -2.993 -11.359) 11.833 5.943 ( -1.422 2.993 -11.359) 11.833 6.397 ( 1.186 -3.984 -21.649) 22.045 6.397 ( 1.186 3.984 -21.649) 22.045 6.482 ( -2.591 -5.522 -17.327) 18.369 6.482 ( -2.591 5.522 -17.327) 18.369 6.854 ( 4.742 -5.263 -1.032) 7.159 6.854 ( 4.742 5.263 -1.032) 7.159 7.151 ( 8.095 -6.919 12.075) 16.100 7.151 ( 8.095 6.919 12.075) 16.100 7.408 ( 1.257 -3.680 0.818) 3.974 7.408 ( 1.257 3.680 0.818) 3.974 7.626 ( 1.111 -4.259 4.131) 6.036 7.626 ( 1.111 4.259 4.131) 6.036 7.965 ( 3.803 -4.990 5.607) 8.414 7.965 ( 3.803 4.990 5.607) 8.414 8.001 ( 7.285 -11.520 1.646) 13.729 8.001 ( 7.285 11.520 1.646) 13.729 8.248 ( 2.905 -7.595 0.876) 8.179 8.248 ( 2.905 7.595 0.876) 8.179 8.496 ( 0.765 -9.189 -0.182) 9.223 8.496 ( 0.765 9.189 -0.182) 9.223 8.678 ( -2.474 -5.930 4.162) 7.656 8.678 ( -2.474 5.930 4.162) 7.656 8.890 ( 5.462 -3.992 -10.678) 12.641 8.890 ( 5.462 3.992 -10.678) 12.641 9.543 ( 0.591 -7.240 -3.507) 8.066 9.543 ( 0.591 7.240 -3.507) 8.066 9.785 ( 4.898 -0.665 0.274) 4.951 9.785 ( 4.898 0.665 0.274) 4.951 9.859 ( -0.751 -3.026 2.022) 3.716 9.859 ( -0.751 3.026 2.022) 3.716 10.285 ( -0.191 -5.910 -3.508) 6.875 10.285 ( -0.191 5.910 -3.508) 6.875 10.451 ( -7.222 -5.897 -0.500) 9.337 10.451 ( -7.222 5.897 -0.500) 9.337 10.563 ( -0.522 -2.470 4.186) 4.888 10.563 ( -0.522 2.470 4.186) 4.888 10.912 ( 1.285 -6.724 -0.022) 6.846 10.912 ( 1.285 6.724 -0.022) 6.846 10.990 ( 1.503 -3.775 2.487) 4.764 10.990 ( 1.503 3.775 2.487) 4.764 11.206 ( 2.848 -4.705 -1.433) 5.684 11.206 ( 2.848 4.705 -1.433) 5.684 11.487 ( -0.894 -3.541 -5.359) 6.485 11.487 ( -0.894 3.541 -5.359) 6.485 11.685 ( -0.807 -1.382 -2.087) 2.630 11.685 ( -0.807 1.382 -2.087) 2.630 11.984 ( -2.685 -2.409 0.505) 3.642 11.984 ( -2.685 2.409 0.505) 3.642 12.275 ( -1.232 -1.642 -2.159) 2.979 12.275 ( -1.232 1.642 -2.159) 2.979 12.457 ( -1.565 -5.642 1.231) 5.983 12.457 ( -1.565 5.642 1.231) 5.983 12.626 ( 3.176 -3.762 1.958) 5.298 12.626 ( 3.176 3.762 1.958) 5.298 12.905 ( -1.178 -3.781 -1.841) 4.368 12.905 ( -1.178 3.781 -1.841) 4.368 13.148 ( -1.195 -0.954 -1.171) 1.926 13.148 ( -1.195 0.954 -1.171) 1.926 13.399 ( -1.012 -4.115 -2.109) 4.733 13.399 ( -1.012 4.115 -2.109) 4.733 13.492 ( -1.353 -0.533 -0.175) 1.465 13.492 ( -1.353 0.533 -0.175) 1.465 13.681 ( -2.063 -4.552 0.606) 5.035 13.681 ( -2.063 4.552 0.606) 5.035 13.916 ( -0.878 -2.463 1.313) 2.926 13.916 ( -0.878 2.463 1.313) 2.926 14.053 ( -0.588 -3.561 -5.032) 6.193 14.053 ( -0.588 3.561 -5.032) 6.193 14.392 ( 0.721 -1.263 3.064) 3.391 14.392 ( 0.721 1.263 3.064) 3.391 14.849 ( -1.331 -0.861 0.887) 1.816 14.849 ( -1.331 0.861 0.887) 1.816 15.267 ( 0.232 -1.727 0.403) 1.788 15.267 ( 0.232 1.727 0.403) 1.788 15.378 ( 1.138 -1.572 0.054) 1.941 15.378 ( 1.138 1.572 0.054) 1.941 15.648 ( -1.571 -0.222 3.574) 3.910 15.648 ( -1.571 0.222 3.574) 3.910 ======================= Grid point 110 (52/117) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 4.205 0.000 53.453) 53.618 2.411 ( 0.191 0.000 54.068) 54.069 3.273 ( -1.999 0.000 73.845) 73.872 3.925 ( -4.454 0.000 3.481) 5.653 4.009 ( -5.561 0.000 6.778) 8.767 4.447 ( -4.576 0.000 23.588) 24.028 4.512 ( -7.303 0.000 22.411) 23.571 5.131 ( -1.943 0.000 -27.784) 27.852 5.300 ( -3.532 0.000 -33.202) 33.389 5.316 ( -6.645 0.000 -32.309) 32.985 5.510 ( -2.593 0.000 -23.970) 24.110 6.088 ( -1.753 0.000 -11.448) 11.582 6.208 ( -3.075 0.000 -17.332) 17.602 6.288 ( -1.770 0.000 12.472) 12.597 6.442 ( -2.609 0.000 5.361) 5.962 6.546 ( 7.759 0.000 13.900) 15.919 6.701 ( 4.393 0.000 2.975) 5.305 6.804 ( -6.102 0.000 9.514) 11.303 6.911 ( -2.213 0.000 12.427) 12.623 7.150 ( 4.845 0.000 -13.717) 14.548 7.251 ( 8.780 0.000 -6.405) 10.868 7.396 ( 3.338 0.000 -0.776) 3.427 7.409 ( 0.248 0.000 -22.994) 22.995 7.717 ( -4.032 0.000 8.078) 9.029 7.743 ( -10.136 0.000 -12.660) 16.217 8.050 ( 4.347 0.000 5.856) 7.293 8.101 ( 11.807 0.000 2.196) 12.009 8.158 ( -7.953 0.000 6.673) 10.382 8.270 ( -4.061 0.000 3.715) 5.504 8.466 ( 0.680 0.000 9.707) 9.731 8.583 ( -3.233 0.000 0.755) 3.320 8.631 ( 5.073 0.000 6.217) 8.024 8.693 ( -0.638 0.000 -6.496) 6.527 8.725 ( 10.840 0.000 -4.148) 11.606 8.964 ( -6.128 0.000 -4.935) 7.868 9.125 ( 3.509 0.000 3.819) 5.186 9.289 ( 11.253 0.000 -8.450) 14.072 9.494 ( -1.604 0.000 -12.025) 12.131 9.628 ( -2.625 0.000 -1.053) 2.829 9.743 ( -3.631 0.000 -4.448) 5.742 10.015 ( 2.648 0.000 1.420) 3.005 10.040 ( -8.799 0.000 6.014) 10.658 10.189 ( -0.294 0.000 7.692) 7.698 10.306 ( -2.375 0.000 4.698) 5.264 10.375 ( -2.166 0.000 6.004) 6.383 10.409 ( -2.806 0.000 -2.169) 3.547 10.529 ( 3.934 0.000 -5.567) 6.817 10.579 ( 1.687 0.000 0.163) 1.695 10.746 ( 2.896 0.000 -2.651) 3.926 10.831 ( -1.915 0.000 3.246) 3.769 10.971 ( -5.629 0.000 -0.174) 5.632 11.066 ( 1.584 0.000 0.299) 1.611 11.174 ( 0.151 0.000 -6.530) 6.532 11.366 ( 5.512 0.000 -5.247) 7.610 11.484 ( 6.586 0.000 3.275) 7.356 11.594 ( 3.198 0.000 -4.207) 5.284 11.656 ( 1.888 0.000 4.501) 4.880 11.773 ( 3.312 0.000 2.791) 4.331 11.879 ( 2.403 0.000 2.897) 3.764 11.988 ( -5.472 0.000 1.885) 5.788 12.152 ( -0.992 0.000 -5.487) 5.576 12.260 ( -1.429 0.000 1.271) 1.912 12.263 ( 2.437 0.000 -1.901) 3.091 12.508 ( 4.868 0.000 -4.333) 6.517 12.708 ( 1.672 0.000 -4.599) 4.894 12.808 ( -3.866 0.000 -1.964) 4.336 12.826 ( 2.284 0.000 6.442) 6.835 12.944 ( -0.908 0.000 2.888) 3.027 13.173 ( -0.906 0.000 0.003) 0.906 13.209 ( 4.792 0.000 1.137) 4.925 13.251 ( -0.812 0.000 -3.218) 3.319 13.394 ( 0.494 0.000 1.078) 1.186 13.403 ( -3.874 0.000 1.129) 4.035 13.429 ( -0.238 0.000 -5.788) 5.793 13.580 ( -2.519 0.000 -0.320) 2.539 13.628 ( 3.772 0.000 -1.106) 3.931 13.855 ( -1.266 0.000 -2.793) 3.067 13.865 ( 1.757 0.000 1.832) 2.538 14.043 ( 2.079 0.000 -5.794) 6.156 14.195 ( 1.752 0.000 -4.486) 4.816 14.376 ( -1.631 0.000 6.750) 6.944 14.468 ( 0.141 0.000 4.461) 4.464 14.859 ( -2.107 0.000 1.957) 2.876 14.869 ( 0.914 0.000 2.447) 2.612 15.159 ( -2.233 0.000 -1.557) 2.722 15.280 ( 1.410 0.000 -4.165) 4.397 15.385 ( -1.018 0.000 4.915) 5.019 15.512 ( 1.745 0.000 3.000) 3.470 15.651 ( -2.698 0.000 1.826) 3.258 15.706 ( -2.697 0.000 2.711) 3.824 ======================= Grid point 111 (53/117) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 4.774 0.000 50.666) 50.890 2.815 ( 17.867 0.000 48.387) 51.580 3.872 ( 13.063 0.000 24.435) 27.707 4.000 ( 1.907 0.000 7.383) 7.626 4.014 ( 22.920 0.000 42.278) 48.091 4.423 ( -5.541 0.000 29.416) 29.933 4.436 ( -9.092 0.000 23.813) 25.490 5.002 ( 0.678 0.000 -26.885) 26.894 5.040 ( -3.562 0.000 -36.929) 37.100 5.125 ( -3.447 0.000 -29.875) 30.073 5.421 ( 3.696 0.000 -26.529) 26.786 5.940 ( -5.159 0.000 -13.874) 14.802 5.995 ( -10.091 0.000 -17.324) 20.049 6.388 ( -4.270 0.000 2.730) 5.068 6.406 ( 4.915 0.000 5.650) 7.489 6.610 ( -4.588 0.000 -4.178) 6.205 6.769 ( 1.078 0.000 3.867) 4.015 6.826 ( -1.020 0.000 16.931) 16.962 6.886 ( -4.565 0.000 12.570) 13.373 7.111 ( 3.984 0.000 -16.728) 17.196 7.359 ( -3.013 0.000 -20.437) 20.658 7.364 ( 4.596 0.000 -8.438) 9.608 7.527 ( 8.116 0.000 8.307) 11.614 7.609 ( 1.734 0.000 2.680) 3.192 7.673 ( -2.889 0.000 2.789) 4.016 7.992 ( -9.130 0.000 5.764) 10.797 8.090 ( -4.045 0.000 -0.835) 4.130 8.205 ( -1.418 0.000 10.459) 10.554 8.324 ( 0.961 0.000 0.034) 0.961 8.364 ( -3.849 0.000 -0.799) 3.931 8.489 ( -3.681 0.000 7.236) 8.119 8.725 ( 1.037 0.000 1.439) 1.773 8.745 ( 4.867 0.000 -3.906) 6.241 8.893 ( 2.414 0.000 -0.900) 2.576 8.926 ( 6.916 0.000 1.465) 7.070 9.202 ( 2.496 0.000 2.145) 3.290 9.402 ( -1.994 0.000 -12.313) 12.473 9.504 ( 12.582 0.000 -7.882) 14.847 9.600 ( 0.712 0.000 0.959) 1.194 9.701 ( 1.980 0.000 -5.706) 6.040 9.888 ( -5.853 0.000 2.346) 6.306 10.034 ( -1.323 0.000 1.477) 1.983 10.210 ( -1.813 0.000 9.668) 9.836 10.254 ( -4.165 0.000 4.610) 6.213 10.342 ( -1.910 0.000 -5.338) 5.670 10.402 ( 0.314 0.000 5.350) 5.359 10.584 ( 2.305 0.000 -1.938) 3.012 10.629 ( 3.239 0.000 -0.795) 3.335 10.790 ( 2.435 0.000 -3.515) 4.276 10.807 ( -1.258 0.000 1.727) 2.137 10.844 ( -6.583 0.000 0.643) 6.614 11.066 ( -1.567 0.000 -0.844) 1.780 11.144 ( -1.302 0.000 -2.330) 2.669 11.397 ( -1.613 0.000 -3.478) 3.834 11.575 ( 1.140 0.000 -1.564) 1.936 11.608 ( 0.971 0.000 -4.604) 4.705 11.737 ( 4.447 0.000 5.780) 7.293 11.769 ( -5.857 0.000 -0.414) 5.872 11.924 ( -1.089 0.000 -1.099) 1.547 11.992 ( 7.354 0.000 2.103) 7.649 12.117 ( -0.239 0.000 -4.361) 4.368 12.268 ( 2.219 0.000 0.620) 2.304 12.317 ( 3.178 0.000 -2.155) 3.840 12.593 ( 5.289 0.000 -3.499) 6.341 12.730 ( -2.366 0.000 -3.240) 4.012 12.749 ( 3.949 0.000 -2.983) 4.949 12.929 ( -0.978 0.000 2.754) 2.923 12.934 ( 4.950 0.000 7.726) 9.176 13.174 ( 1.038 0.000 0.423) 1.121 13.219 ( -0.827 0.000 -2.068) 2.227 13.327 ( -2.363 0.000 -1.023) 2.575 13.334 ( 5.746 0.000 0.587) 5.776 13.422 ( 1.949 0.000 -0.818) 2.113 13.437 ( 2.000 0.000 -3.235) 3.803 13.527 ( -2.271 0.000 2.482) 3.364 13.702 ( 3.870 0.000 -1.099) 4.023 13.831 ( 0.129 0.000 -3.540) 3.543 13.934 ( 4.891 0.000 -0.703) 4.942 14.084 ( 3.964 0.000 -5.449) 6.739 14.198 ( 0.325 0.000 -5.263) 5.273 14.370 ( -1.564 0.000 6.331) 6.522 14.478 ( -0.888 0.000 4.338) 4.428 14.829 ( -1.635 0.000 1.596) 2.284 14.899 ( 1.075 0.000 1.837) 2.128 15.107 ( -2.100 0.000 -1.620) 2.653 15.289 ( 1.229 0.000 -4.388) 4.557 15.359 ( -3.700 0.000 4.369) 5.726 15.535 ( -0.661 0.000 1.259) 1.422 15.611 ( -2.094 0.000 4.848) 5.281 15.666 ( -2.172 0.000 2.823) 3.562 ======================= Grid point 112 (54/117) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 18.899 0.000 37.355) 41.864 3.445 ( 26.442 0.000 37.885) 46.200 4.063 ( 9.347 0.000 7.611) 12.054 4.143 ( 9.492 0.000 6.282) 11.383 4.335 ( -2.739 0.000 22.474) 22.640 4.379 ( -3.342 0.000 15.575) 15.929 4.830 ( 8.789 0.000 -6.915) 11.183 4.889 ( 1.328 0.000 -30.100) 30.129 4.937 ( -3.489 0.000 -24.779) 25.023 5.182 ( 35.085 0.000 31.798) 47.351 5.414 ( 6.949 0.000 -26.829) 27.715 5.743 ( -5.984 0.000 -18.618) 19.556 5.837 ( 1.537 0.000 -12.691) 12.784 6.301 ( -5.088 0.000 1.151) 5.216 6.445 ( -1.586 0.000 -1.403) 2.117 6.487 ( -5.418 0.000 -5.398) 7.648 6.719 ( -10.660 0.000 7.088) 12.801 6.741 ( -4.705 0.000 1.394) 4.908 6.879 ( -1.150 0.000 9.829) 9.896 7.152 ( 3.837 0.000 -22.131) 22.461 7.230 ( -5.612 0.000 1.106) 5.720 7.361 ( -1.845 0.000 -8.312) 8.514 7.519 ( -8.650 0.000 -5.039) 10.011 7.668 ( -0.980 0.000 11.521) 11.562 7.701 ( -0.382 0.000 -0.957) 1.031 7.865 ( -10.125 0.000 7.640) 12.684 8.075 ( 2.059 0.000 10.279) 10.483 8.127 ( -1.120 0.000 -0.436) 1.202 8.180 ( -4.781 0.000 8.281) 9.562 8.385 ( -7.747 0.000 0.719) 7.780 8.568 ( 10.721 0.000 -1.041) 10.771 8.763 ( 3.554 0.000 3.574) 5.040 8.797 ( 0.593 0.000 3.457) 3.508 8.972 ( 3.310 0.000 2.017) 3.876 9.043 ( 4.223 0.000 2.794) 5.064 9.215 ( -2.006 0.000 2.940) 3.559 9.358 ( 3.109 0.000 -10.292) 10.752 9.628 ( 2.804 0.000 -6.855) 7.406 9.669 ( 4.319 0.000 4.369) 6.144 9.805 ( 9.369 0.000 -7.133) 11.776 9.843 ( 1.239 0.000 -4.844) 5.000 9.982 ( -3.957 0.000 -1.020) 4.086 10.189 ( -4.957 0.000 10.201) 11.342 10.191 ( -3.820 0.000 4.504) 5.905 10.298 ( 0.505 0.000 -7.914) 7.930 10.389 ( -3.466 0.000 1.931) 3.967 10.586 ( -1.610 0.000 -1.654) 2.309 10.686 ( 2.107 0.000 0.507) 2.167 10.736 ( -3.586 0.000 3.259) 4.846 10.797 ( -0.829 0.000 2.324) 2.467 10.821 ( 0.609 0.000 0.568) 0.833 11.009 ( -2.923 0.000 -1.801) 3.433 11.119 ( -0.424 0.000 0.404) 0.586 11.271 ( -8.480 0.000 -4.122) 9.428 11.519 ( -12.356 0.000 -5.413) 13.490 11.538 ( -2.213 0.000 -5.096) 5.556 11.646 ( -0.182 0.000 -0.849) 0.868 11.870 ( 6.462 0.000 4.363) 7.797 11.904 ( -0.130 0.000 0.390) 0.411 12.137 ( 3.379 0.000 -1.810) 3.833 12.158 ( 7.961 0.000 1.441) 8.090 12.354 ( 1.500 0.000 -3.326) 3.649 12.362 ( 6.641 0.000 0.704) 6.678 12.685 ( 4.405 0.000 -0.348) 4.419 12.702 ( 1.058 0.000 -3.308) 3.473 12.831 ( 5.081 0.000 -2.675) 5.742 12.939 ( 0.886 0.000 2.252) 2.420 13.025 ( -0.000 0.000 4.928) 4.928 13.193 ( -1.115 0.000 -2.175) 2.444 13.211 ( 2.016 0.000 3.105) 3.702 13.341 ( 4.593 0.000 -0.749) 4.653 13.386 ( -1.900 0.000 0.332) 1.929 13.433 ( 0.586 0.000 0.376) 0.696 13.479 ( 3.529 0.000 -3.285) 4.821 13.585 ( 5.940 0.000 3.953) 7.135 13.766 ( 3.017 0.000 -1.111) 3.215 13.832 ( 1.430 0.000 -3.625) 3.897 14.040 ( 5.989 0.000 -2.532) 6.502 14.146 ( 4.406 0.000 -5.607) 7.131 14.164 ( -1.463 0.000 -5.838) 6.018 14.366 ( -1.107 0.000 4.787) 4.913 14.467 ( -1.902 0.000 3.634) 4.101 14.807 ( -1.081 0.000 0.650) 1.261 14.921 ( 0.672 0.000 0.467) 0.819 15.068 ( -1.135 0.000 -1.670) 2.019 15.276 ( -5.843 0.000 3.411) 6.765 15.292 ( 0.794 0.000 -4.993) 5.056 15.508 ( -1.356 0.000 0.061) 1.358 15.607 ( -1.239 0.000 7.150) 7.256 15.647 ( -1.044 0.000 3.636) 3.783 ======================= Grid point 113 (55/117) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( 27.195 0.000 22.147) 35.072 4.110 ( 25.934 0.000 22.153) 34.108 4.324 ( 13.386 0.000 4.357) 14.077 4.404 ( 14.567 0.000 -0.430) 14.574 4.415 ( 4.404 0.000 15.397) 16.014 4.484 ( 9.082 0.000 15.865) 18.280 4.797 ( 1.382 0.000 -19.048) 19.098 4.868 ( 4.732 0.000 -17.236) 17.873 4.874 ( 5.483 0.000 -15.007) 15.977 5.402 ( 7.417 0.000 -26.089) 27.122 5.648 ( 3.404 0.000 -16.504) 16.851 5.837 ( 8.867 0.000 -12.965) 15.707 6.191 ( 31.214 0.000 33.157) 45.538 6.198 ( -5.978 0.000 2.397) 6.441 6.358 ( -4.644 0.000 -6.876) 8.298 6.366 ( -4.039 0.000 -5.152) 6.547 6.530 ( -10.266 0.000 4.496) 11.207 6.634 ( -7.163 0.000 -0.015) 7.163 6.911 ( 4.476 0.000 12.578) 13.351 7.043 ( -9.271 0.000 -8.724) 12.730 7.099 ( -7.513 0.000 0.853) 7.562 7.228 ( -6.674 0.000 -8.015) 10.429 7.386 ( -0.166 0.000 -10.781) 10.782 7.559 ( -10.195 0.000 -6.010) 11.835 7.577 ( -13.260 0.000 8.960) 16.003 7.683 ( -3.305 0.000 -0.856) 3.414 8.021 ( -16.153 0.000 7.496) 17.808 8.101 ( -4.070 0.000 6.106) 7.338 8.204 ( 0.022 0.000 7.546) 7.546 8.372 ( 7.418 0.000 2.286) 7.762 8.728 ( 4.799 0.000 -4.420) 6.524 8.811 ( -1.255 0.000 5.540) 5.681 8.868 ( 3.330 0.000 3.616) 4.916 9.060 ( 5.879 0.000 5.180) 7.836 9.068 ( -2.010 0.000 -0.424) 2.055 9.229 ( 2.075 0.000 11.442) 11.629 9.424 ( 4.598 0.000 -5.201) 6.942 9.644 ( 1.445 0.000 -6.128) 6.296 9.768 ( 2.880 0.000 7.175) 7.731 9.782 ( -6.510 0.000 -6.423) 9.145 9.864 ( -5.878 0.000 -6.560) 8.808 9.928 ( 3.954 0.000 -10.549) 11.266 10.056 ( -11.100 0.000 3.677) 11.693 10.150 ( -2.273 0.000 5.540) 5.988 10.314 ( -2.979 0.000 3.230) 4.394 10.318 ( 4.772 0.000 -7.005) 8.476 10.526 ( -3.030 0.000 -1.835) 3.542 10.693 ( -2.056 0.000 0.935) 2.259 10.708 ( -3.085 0.000 8.411) 8.959 10.776 ( -2.828 0.000 4.184) 5.050 10.831 ( -0.283 0.000 2.882) 2.896 10.966 ( -0.366 0.000 -1.415) 1.461 11.090 ( -6.348 0.000 -1.527) 6.529 11.137 ( 2.122 0.000 0.602) 2.206 11.257 ( -9.205 0.000 -2.308) 9.490 11.488 ( 0.538 0.000 -7.963) 7.981 11.676 ( 2.364 0.000 0.612) 2.442 11.934 ( 2.660 0.000 1.482) 3.045 12.021 ( 6.930 0.000 3.548) 7.785 12.215 ( 4.623 0.000 -0.942) 4.718 12.299 ( 4.470 0.000 2.505) 5.124 12.356 ( 1.037 0.000 -4.116) 4.244 12.521 ( 8.534 0.000 1.211) 8.620 12.743 ( 3.910 0.000 -2.873) 4.852 12.754 ( 2.072 0.000 2.101) 2.950 12.900 ( 1.427 0.000 -3.884) 4.138 12.973 ( 1.546 0.000 1.623) 2.241 12.992 ( -1.923 0.000 0.558) 2.002 13.149 ( -2.410 0.000 -2.777) 3.677 13.275 ( 2.490 0.000 3.901) 4.628 13.329 ( -2.571 0.000 -0.747) 2.677 13.443 ( -0.640 0.000 3.542) 3.599 13.456 ( 5.558 0.000 0.705) 5.603 13.549 ( 4.503 0.000 -3.004) 5.413 13.712 ( 4.413 0.000 2.738) 5.194 13.816 ( 2.490 0.000 -1.549) 2.933 13.853 ( 1.904 0.000 -2.767) 3.359 14.100 ( -2.311 0.000 -6.062) 6.488 14.140 ( 5.019 0.000 -3.307) 6.010 14.205 ( 3.416 0.000 -5.123) 6.158 14.367 ( -0.192 0.000 2.490) 2.497 14.432 ( -2.674 0.000 2.531) 3.682 14.790 ( -0.627 0.000 -0.395) 0.741 14.928 ( 0.106 0.000 -1.279) 1.283 15.052 ( 0.213 0.000 -1.442) 1.458 15.176 ( -4.882 0.000 3.125) 5.797 15.278 ( 0.058 0.000 -5.101) 5.102 15.501 ( 0.529 0.000 -0.387) 0.656 15.613 ( -1.048 0.000 7.526) 7.598 15.650 ( -0.396 0.000 4.427) 4.445 ======================= Grid point 114 (56/117) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.230 ( 27.755 0.000 7.983) 28.880 4.529 ( 12.092 0.000 -0.813) 12.120 4.541 ( 11.154 0.000 -3.263) 11.621 4.724 ( 16.234 0.000 -1.264) 16.283 4.728 ( 18.797 0.000 13.105) 22.914 4.805 ( 13.119 0.000 -2.422) 13.340 4.855 ( 12.517 0.000 -3.714) 13.056 4.930 ( 3.977 0.000 -9.063) 9.898 5.074 ( 20.190 0.000 11.010) 22.997 5.507 ( 12.737 0.000 -21.952) 25.380 5.710 ( 7.687 0.000 -13.033) 15.132 5.922 ( 3.700 0.000 -11.228) 11.822 6.064 ( -8.835 0.000 1.158) 8.910 6.277 ( -0.741 0.000 -5.924) 5.970 6.303 ( 2.006 0.000 -5.889) 6.221 6.355 ( -7.594 0.000 1.728) 7.788 6.369 ( -18.314 0.000 0.094) 18.314 6.514 ( -1.311 0.000 10.664) 10.744 6.812 ( -9.027 0.000 -2.973) 9.504 6.928 ( -11.088 0.000 4.710) 12.047 7.052 ( -3.850 0.000 -11.556) 12.181 7.267 ( -10.260 0.000 -5.887) 11.829 7.341 ( -10.642 0.000 6.556) 12.499 7.424 ( 1.624 0.000 -9.051) 9.196 7.504 ( 33.425 0.000 22.926) 40.532 7.660 ( -18.984 0.000 2.443) 19.140 7.661 ( 1.939 0.000 -0.729) 2.072 8.089 ( -14.343 0.000 8.909) 16.885 8.099 ( 1.093 0.000 4.729) 4.854 8.526 ( 6.123 0.000 3.523) 7.064 8.611 ( -10.787 0.000 -14.236) 17.861 8.816 ( -1.518 0.000 -0.343) 1.556 8.898 ( -0.198 0.000 2.335) 2.343 9.037 ( -4.020 0.000 6.162) 7.357 9.221 ( 4.133 0.000 5.458) 6.846 9.233 ( -17.450 0.000 3.291) 17.758 9.413 ( -3.000 0.000 -3.836) 4.870 9.455 ( -5.770 0.000 -8.032) 9.890 9.673 ( -2.335 0.000 -1.979) 3.061 9.735 ( -4.597 0.000 -4.293) 6.290 9.864 ( 3.949 0.000 8.136) 9.044 9.892 ( -4.200 0.000 -2.141) 4.714 9.929 ( -0.805 0.000 9.404) 9.439 10.144 ( 0.304 0.000 1.962) 1.986 10.310 ( 0.790 0.000 -1.159) 1.403 10.412 ( 5.173 0.000 -0.700) 5.220 10.462 ( -2.912 0.000 2.025) 3.547 10.623 ( -4.752 0.000 1.011) 4.858 10.658 ( -4.689 0.000 8.283) 9.518 10.725 ( -3.011 0.000 2.033) 3.633 10.816 ( -1.266 0.000 0.545) 1.378 10.973 ( 0.915 0.000 0.606) 1.098 11.073 ( 2.978 0.000 4.512) 5.407 11.162 ( -0.565 0.000 -1.324) 1.439 11.208 ( 4.885 0.000 -1.032) 4.993 11.495 ( 2.991 0.000 -9.266) 9.736 11.737 ( 2.839 0.000 4.129) 5.010 12.015 ( 4.508 0.000 1.901) 4.892 12.165 ( 6.000 0.000 2.445) 6.479 12.307 ( -0.265 0.000 -0.183) 0.322 12.307 ( 3.163 0.000 0.176) 3.168 12.413 ( 3.380 0.000 -0.099) 3.381 12.691 ( 7.426 0.000 0.014) 7.426 12.784 ( -0.194 0.000 2.882) 2.888 12.818 ( -5.983 0.000 -3.836) 7.107 12.820 ( 4.632 0.000 -1.381) 4.834 13.000 ( 0.857 0.000 -1.660) 1.868 13.002 ( 0.427 0.000 -0.396) 0.583 13.079 ( -3.103 0.000 -1.558) 3.473 13.292 ( -0.915 0.000 0.322) 0.970 13.330 ( 1.653 0.000 2.414) 2.925 13.441 ( -0.749 0.000 3.571) 3.649 13.545 ( 3.335 0.000 -1.541) 3.674 13.619 ( 3.064 0.000 -0.284) 3.077 13.768 ( 0.426 0.000 1.462) 1.523 13.843 ( 1.305 0.000 -4.132) 4.334 13.891 ( 2.325 0.000 0.473) 2.372 14.030 ( -2.090 0.000 -6.299) 6.636 14.202 ( 2.116 0.000 -2.449) 3.237 14.235 ( 2.064 0.000 -6.273) 6.604 14.374 ( -0.006 0.000 0.529) 0.529 14.392 ( -1.961 0.000 1.829) 2.681 14.778 ( -0.259 0.000 -1.290) 1.316 14.915 ( -0.489 0.000 -2.934) 2.975 15.064 ( 1.433 0.000 -0.872) 1.677 15.126 ( -1.272 0.000 3.722) 3.933 15.264 ( 0.468 0.000 -4.000) 4.028 15.508 ( 0.152 0.000 -1.795) 1.801 15.634 ( 0.343 0.000 7.067) 7.076 15.666 ( 0.061 0.000 5.069) 5.069 ======================= Grid point 115 (57/117) ======================= q-point: ( 0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.635 ( -0.531 0.000 -2.598) 2.652 4.660 ( 13.214 0.000 -8.131) 15.516 4.779 ( 8.006 0.000 -5.286) 9.594 4.968 ( 7.228 0.000 -0.610) 7.253 4.973 ( 13.437 0.000 -9.477) 16.443 5.086 ( 12.502 0.000 9.122) 15.476 5.179 ( 18.809 0.000 -12.091) 22.360 5.226 ( 25.023 0.000 12.467) 27.957 5.508 ( 9.518 0.000 8.107) 12.503 5.695 ( 12.254 0.000 -20.140) 23.575 5.803 ( 1.846 0.000 -12.827) 12.959 5.848 ( -5.078 0.000 -7.257) 8.858 5.957 ( 7.185 0.000 16.066) 17.599 6.017 ( -12.724 0.000 0.597) 12.738 6.228 ( 0.755 0.000 -4.637) 4.698 6.312 ( 0.928 0.000 -4.088) 4.192 6.425 ( -1.972 0.000 -2.328) 3.051 6.491 ( 9.439 0.000 3.329) 10.009 6.693 ( -11.391 0.000 -2.942) 11.765 6.707 ( -2.725 0.000 2.444) 3.661 6.898 ( -6.519 0.000 -15.824) 17.114 7.093 ( -4.869 0.000 6.239) 7.914 7.193 ( -5.030 0.000 3.705) 6.247 7.376 ( -7.659 0.000 -1.748) 7.856 7.431 ( 1.139 0.000 -1.625) 1.985 7.641 ( -3.908 0.000 0.013) 3.908 7.759 ( -18.451 0.000 2.865) 18.672 8.149 ( 0.549 0.000 5.580) 5.607 8.270 ( 13.944 0.000 6.061) 15.204 8.281 ( -3.550 0.000 -9.385) 10.034 8.590 ( -30.626 0.000 -3.005) 30.773 8.639 ( 4.120 0.000 2.101) 4.625 8.682 ( -7.679 0.000 -3.362) 8.383 8.899 ( -2.259 0.000 2.787) 3.588 9.034 ( -5.103 0.000 12.762) 13.745 9.171 ( -4.354 0.000 0.341) 4.367 9.383 ( -2.302 0.000 -1.506) 2.751 9.429 ( -2.748 0.000 -3.666) 4.581 9.602 ( 0.005 0.000 -1.690) 1.690 9.638 ( -4.413 0.000 2.100) 4.887 9.776 ( -6.713 0.000 1.894) 6.975 9.955 ( 1.706 0.000 5.445) 5.706 10.081 ( 6.798 0.000 18.125) 19.358 10.190 ( 3.709 0.000 -0.308) 3.721 10.273 ( -3.638 0.000 0.044) 3.639 10.456 ( -2.260 0.000 -0.481) 2.311 10.470 ( 2.827 0.000 1.672) 3.285 10.558 ( -1.900 0.000 7.138) 7.387 10.625 ( -0.643 0.000 4.615) 4.660 10.704 ( 1.371 0.000 -1.245) 1.852 10.806 ( -0.000 0.000 -0.171) 0.171 10.997 ( 1.048 0.000 0.522) 1.171 11.167 ( 2.546 0.000 6.423) 6.909 11.179 ( 2.674 0.000 -2.434) 3.616 11.306 ( 5.169 0.000 -2.604) 5.788 11.508 ( 1.748 0.000 -9.428) 9.589 11.827 ( 3.946 0.000 7.163) 8.179 12.112 ( 3.789 0.000 2.808) 4.716 12.250 ( -0.924 0.000 -0.329) 0.981 12.278 ( 1.889 0.000 -0.569) 1.973 12.403 ( 4.393 0.000 2.005) 4.829 12.456 ( 0.636 0.000 0.665) 0.920 12.677 ( -6.045 0.000 -2.076) 6.391 12.759 ( -0.774 0.000 -2.307) 2.433 12.765 ( -2.903 0.000 1.431) 3.237 12.891 ( -0.146 0.000 -3.880) 3.883 12.985 ( -1.472 0.000 -1.375) 2.014 12.989 ( 2.867 0.000 0.559) 2.921 13.060 ( 0.249 0.000 2.038) 2.054 13.297 ( 0.871 0.000 2.118) 2.290 13.355 ( 0.106 0.000 0.600) 0.610 13.449 ( 0.334 0.000 3.128) 3.146 13.573 ( 0.235 0.000 -1.884) 1.898 13.665 ( 1.414 0.000 -0.284) 1.442 13.751 ( -1.942 0.000 -0.072) 1.943 13.839 ( 0.372 0.000 -5.957) 5.968 13.942 ( 2.086 0.000 -0.258) 2.102 13.980 ( 0.081 0.000 -2.370) 2.371 14.205 ( -0.789 0.000 -1.664) 1.842 14.240 ( 1.187 0.000 -8.124) 8.210 14.366 ( -0.622 0.000 -0.710) 0.944 14.374 ( -0.572 0.000 1.156) 1.289 14.774 ( 0.685 0.000 -1.538) 1.684 14.887 ( -0.918 0.000 -3.787) 3.897 15.097 ( 1.860 0.000 0.156) 1.867 15.150 ( 1.598 0.000 4.121) 4.419 15.260 ( 0.360 0.000 -2.799) 2.822 15.487 ( -1.241 0.000 -2.690) 2.963 15.679 ( 1.423 0.000 5.378) 5.563 15.692 ( 0.434 0.000 5.486) 5.504 ======================= Grid point 116 (58/117) ======================= q-point: (-0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.476 ( -16.428 0.000 5.518) 17.330 4.512 ( -21.206 0.000 -3.165) 21.441 4.866 ( -1.118 0.000 -6.315) 6.413 5.069 ( -6.227 0.000 -2.920) 6.877 5.124 ( 5.446 0.000 -1.523) 5.655 5.299 ( 6.160 0.000 -3.436) 7.053 5.336 ( 3.186 0.000 -19.600) 19.857 5.623 ( 12.235 0.000 6.429) 13.821 5.701 ( 6.704 0.000 1.787) 6.938 5.803 ( 3.179 0.000 -4.855) 5.803 5.824 ( 6.919 0.000 -17.628) 18.937 5.824 ( 15.969 0.000 -2.722) 16.199 5.983 ( 11.584 0.000 -10.559) 15.674 6.193 ( -5.417 0.000 -6.535) 8.488 6.273 ( -5.279 0.000 -7.403) 9.092 6.345 ( 2.624 0.000 -0.454) 2.663 6.388 ( 14.559 0.000 15.762) 21.457 6.603 ( 6.448 0.000 6.445) 9.116 6.661 ( -5.101 0.000 -17.934) 18.645 6.688 ( 8.343 0.000 -0.585) 8.364 6.869 ( 18.055 0.000 7.208) 19.440 7.101 ( -9.855 0.000 -4.316) 10.758 7.191 ( 7.234 0.000 8.845) 11.427 7.332 ( -18.255 0.000 1.825) 18.346 7.371 ( 9.434 0.000 -1.024) 9.489 7.433 ( -20.353 0.000 -3.659) 20.679 7.482 ( 2.852 0.000 10.334) 10.720 7.927 ( -12.562 0.000 -2.016) 12.723 8.101 ( -16.388 0.000 -2.529) 16.582 8.121 ( -6.805 0.000 8.004) 10.506 8.353 ( -6.930 0.000 1.634) 7.120 8.720 ( 3.383 0.000 0.251) 3.392 8.771 ( -9.621 0.000 2.560) 9.956 8.816 ( 3.977 0.000 0.014) 3.977 9.044 ( 7.433 0.000 5.866) 9.469 9.183 ( -0.854 0.000 3.629) 3.728 9.288 ( -1.536 0.000 -1.350) 2.045 9.348 ( -2.915 0.000 -1.966) 3.516 9.565 ( -4.539 0.000 3.704) 5.858 9.594 ( -4.988 0.000 3.486) 6.086 9.716 ( 2.251 0.000 3.098) 3.829 9.984 ( 0.546 0.000 -0.546) 0.772 10.185 ( -0.278 0.000 8.952) 8.956 10.245 ( 0.742 0.000 -1.370) 1.559 10.305 ( 3.813 0.000 9.734) 10.454 10.387 ( -1.844 0.000 -0.255) 1.861 10.561 ( -1.574 0.000 5.163) 5.398 10.569 ( 7.162 0.000 -0.844) 7.212 10.663 ( 2.642 0.000 1.511) 3.044 10.762 ( 3.662 0.000 2.303) 4.326 10.804 ( -0.480 0.000 0.267) 0.549 11.015 ( 0.721 0.000 -0.743) 1.035 11.199 ( 0.517 0.000 1.286) 1.386 11.236 ( 1.437 0.000 2.345) 2.750 11.371 ( 1.866 0.000 -2.603) 3.203 11.484 ( -0.176 0.000 -9.842) 9.843 11.946 ( 4.577 0.000 8.623) 9.763 12.173 ( 0.647 0.000 3.674) 3.730 12.193 ( -3.389 0.000 -1.226) 3.603 12.293 ( -1.277 0.000 -2.854) 3.127 12.419 ( -4.287 0.000 -1.061) 4.416 12.493 ( 3.397 0.000 3.235) 4.691 12.592 ( -2.597 0.000 0.443) 2.635 12.665 ( -6.489 0.000 -2.235) 6.863 12.694 ( -3.231 0.000 1.134) 3.425 12.817 ( -4.092 0.000 -2.986) 5.066 12.947 ( -1.782 0.000 -0.904) 1.998 13.067 ( 0.161 0.000 0.048) 0.168 13.093 ( 4.239 0.000 2.395) 4.869 13.335 ( 1.319 0.000 3.660) 3.891 13.340 ( -1.496 0.000 -0.524) 1.586 13.483 ( 1.628 0.000 3.097) 3.499 13.550 ( -1.687 0.000 -0.472) 1.752 13.660 ( -1.277 0.000 -3.151) 3.400 13.708 ( -1.633 0.000 -1.351) 2.119 13.812 ( -0.403 0.000 -6.608) 6.621 13.967 ( 2.791 0.000 -3.157) 4.214 14.032 ( 2.822 0.000 4.077) 4.958 14.159 ( -2.933 0.000 -2.747) 4.018 14.215 ( -0.298 0.000 -8.949) 8.954 14.353 ( -0.366 0.000 -0.412) 0.552 14.368 ( -0.622 0.000 0.611) 0.872 14.799 ( 2.297 0.000 -0.967) 2.492 14.853 ( -0.787 0.000 -3.674) 3.757 15.133 ( 1.409 0.000 0.780) 1.610 15.208 ( 2.432 0.000 4.157) 4.816 15.250 ( -0.286 0.000 -2.451) 2.468 15.440 ( -2.120 0.000 -3.331) 3.949 15.724 ( 0.417 0.000 5.568) 5.584 15.725 ( 1.126 0.000 3.766) 3.931 ======================= Grid point 117 (59/117) ======================= q-point: (-0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( -36.865 0.000 1.954) 36.917 4.036 ( -30.580 0.000 13.493) 33.425 4.638 ( -15.790 0.000 4.318) 16.370 4.833 ( -14.339 0.000 6.156) 15.604 5.083 ( -12.267 0.000 -12.708) 17.662 5.184 ( -7.764 0.000 -5.298) 9.399 5.495 ( -4.090 0.000 -8.718) 9.630 5.551 ( 13.891 0.000 -21.930) 25.959 5.840 ( 5.617 0.000 -1.408) 5.791 5.901 ( -11.126 0.000 -4.229) 11.903 5.903 ( 8.360 0.000 -15.858) 17.927 6.024 ( -4.799 0.000 -15.025) 15.773 6.078 ( -0.747 0.000 -21.876) 21.889 6.134 ( 10.498 0.000 -7.674) 13.003 6.338 ( 14.225 0.000 8.535) 16.589 6.404 ( 5.086 0.000 -1.832) 5.406 6.567 ( 10.978 0.000 0.968) 11.021 6.662 ( 9.053 0.000 -10.512) 13.873 6.716 ( -9.724 0.000 -1.526) 9.843 6.853 ( -15.167 0.000 -8.493) 17.383 6.893 ( 13.354 0.000 9.354) 16.304 7.143 ( 22.008 0.000 21.050) 30.454 7.282 ( 6.827 0.000 11.888) 13.709 7.289 ( 3.460 0.000 0.166) 3.464 7.340 ( 6.393 0.000 -1.692) 6.613 7.599 ( 4.258 0.000 13.367) 14.029 7.707 ( -5.955 0.000 -10.535) 12.102 7.754 ( -18.613 0.000 12.612) 22.483 7.775 ( 18.991 0.000 16.551) 25.191 7.969 ( -6.807 0.000 7.551) 10.166 8.366 ( 5.160 0.000 4.374) 6.764 8.572 ( -9.760 0.000 0.813) 9.794 8.770 ( -0.672 0.000 1.983) 2.094 8.817 ( 0.211 0.000 2.468) 2.477 9.078 ( -6.466 0.000 3.551) 7.377 9.181 ( 3.083 0.000 -8.019) 8.591 9.269 ( -4.204 0.000 -1.037) 4.330 9.356 ( 2.434 0.000 2.831) 3.734 9.519 ( 1.161 0.000 -1.406) 1.823 9.525 ( -2.240 0.000 6.243) 6.633 9.791 ( 2.348 0.000 3.093) 3.884 9.971 ( -0.329 0.000 -8.098) 8.105 10.207 ( -2.888 0.000 2.688) 3.945 10.307 ( 9.351 0.000 1.761) 9.515 10.383 ( 1.631 0.000 7.489) 7.665 10.414 ( 3.384 0.000 0.305) 3.398 10.526 ( -2.808 0.000 0.423) 2.839 10.679 ( 1.379 0.000 0.591) 1.500 10.758 ( 5.228 0.000 -4.920) 7.179 10.800 ( 2.738 0.000 4.216) 5.027 10.849 ( 3.178 0.000 4.551) 5.551 11.015 ( -0.329 0.000 -1.949) 1.977 11.205 ( -0.692 0.000 3.003) 3.081 11.253 ( 0.108 0.000 -0.108) 0.153 11.351 ( -2.620 0.000 -1.397) 2.969 11.424 ( -2.011 0.000 -10.099) 10.298 12.066 ( 3.594 0.000 8.384) 9.122 12.098 ( -6.383 0.000 -1.488) 6.555 12.147 ( -5.203 0.000 4.098) 6.623 12.199 ( -5.904 0.000 -2.297) 6.335 12.326 ( -3.271 0.000 -3.977) 5.149 12.527 ( -3.836 0.000 1.090) 3.988 12.532 ( -5.225 0.000 -2.467) 5.779 12.553 ( 0.785 0.000 3.174) 3.270 12.692 ( 1.578 0.000 1.548) 2.210 12.714 ( -5.285 0.000 1.026) 5.383 12.902 ( -2.356 0.000 -1.337) 2.709 13.059 ( -0.843 0.000 0.680) 1.083 13.169 ( 2.469 0.000 1.601) 2.942 13.301 ( -1.908 0.000 -0.829) 2.080 13.367 ( 0.462 0.000 3.040) 3.075 13.513 ( -1.828 0.000 0.656) 1.942 13.516 ( -0.172 0.000 2.513) 2.519 13.606 ( -2.044 0.000 -4.555) 4.993 13.692 ( 0.696 0.000 -1.154) 1.347 13.773 ( -0.964 0.000 -5.789) 5.869 14.012 ( 1.496 0.000 -0.775) 1.685 14.068 ( -4.687 0.000 -4.099) 6.226 14.102 ( 2.877 0.000 1.952) 3.477 14.159 ( -1.347 0.000 -9.508) 9.602 14.349 ( -0.284 0.000 1.754) 1.777 14.355 ( -0.836 0.000 1.317) 1.560 14.831 ( -0.069 0.000 -2.922) 2.923 14.852 ( 2.984 0.000 -0.262) 2.995 15.157 ( 0.797 0.000 0.668) 1.040 15.234 ( -0.078 0.000 -2.829) 2.830 15.275 ( 2.458 0.000 4.000) 4.695 15.385 ( -1.703 0.000 -3.276) 3.692 15.749 ( -0.020 0.000 2.547) 2.547 15.750 ( -0.141 0.000 5.330) 5.332 ======================= Grid point 118 (60/117) ======================= q-point: (-0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( -43.657 0.000 8.311) 44.441 3.425 ( -36.622 0.000 22.158) 42.803 4.383 ( -12.153 0.000 12.710) 17.585 4.616 ( -10.801 0.000 13.481) 17.274 4.757 ( -15.670 0.000 -6.889) 17.117 4.783 ( -24.014 0.000 -3.876) 24.325 5.215 ( -40.826 0.000 21.202) 46.004 5.595 ( -5.027 0.000 -5.111) 7.169 5.658 ( 8.032 0.000 -31.981) 32.975 5.819 ( -2.369 0.000 -22.335) 22.460 5.915 ( 0.465 0.000 -27.829) 27.833 5.932 ( 7.263 0.000 -19.335) 20.654 6.092 ( 10.273 0.000 -0.502) 10.286 6.219 ( 8.362 0.000 -25.901) 27.218 6.518 ( 5.651 0.000 1.122) 5.762 6.534 ( -3.945 0.000 -11.046) 11.730 6.552 ( 1.024 0.000 1.634) 1.928 6.837 ( 10.633 0.000 3.450) 11.178 6.859 ( 17.445 0.000 1.406) 17.502 7.034 ( 7.373 0.000 3.644) 8.224 7.152 ( 8.592 0.000 8.166) 11.853 7.282 ( -4.790 0.000 8.625) 9.866 7.306 ( 6.155 0.000 11.071) 12.667 7.354 ( -16.306 0.000 -0.885) 16.330 7.427 ( 3.744 0.000 -5.886) 6.976 7.521 ( 6.158 0.000 5.864) 8.504 7.726 ( 1.161 0.000 17.893) 17.931 7.874 ( 6.706 0.000 18.670) 19.838 7.916 ( 14.191 0.000 12.369) 18.825 8.266 ( 4.530 0.000 2.438) 5.145 8.491 ( 11.106 0.000 0.072) 11.106 8.527 ( 8.306 0.000 4.344) 9.374 8.715 ( -4.571 0.000 4.121) 6.154 8.842 ( 0.070 0.000 3.035) 3.036 8.954 ( -8.854 0.000 8.492) 12.268 9.092 ( -5.570 0.000 -3.750) 6.715 9.247 ( 1.307 0.000 -7.739) 7.849 9.414 ( 4.837 0.000 -2.837) 5.608 9.557 ( 3.380 0.000 4.450) 5.588 9.582 ( 4.590 0.000 -3.349) 5.682 9.833 ( 1.542 0.000 1.182) 1.943 9.906 ( -2.237 0.000 -8.820) 9.099 10.199 ( 0.756 0.000 4.523) 4.586 10.402 ( 1.221 0.000 2.483) 2.767 10.465 ( -2.220 0.000 -0.279) 2.238 10.500 ( 4.129 0.000 -0.675) 4.184 10.527 ( 7.814 0.000 -2.896) 8.333 10.641 ( -4.083 0.000 -2.124) 4.602 10.786 ( 2.350 0.000 -0.095) 2.352 10.902 ( -0.214 0.000 3.162) 3.169 10.956 ( 7.656 0.000 -0.330) 7.663 10.990 ( -0.671 0.000 -0.892) 1.116 11.203 ( -0.774 0.000 3.860) 3.936 11.248 ( 0.350 0.000 -3.453) 3.471 11.288 ( -2.305 0.000 -2.531) 3.423 11.319 ( -4.470 0.000 -6.508) 7.895 11.923 ( -9.461 0.000 -1.860) 9.642 12.012 ( -9.022 0.000 4.315) 10.000 12.082 ( -5.330 0.000 -1.322) 5.491 12.146 ( 1.027 0.000 6.929) 7.005 12.269 ( -0.554 0.000 -4.916) 4.947 12.423 ( -4.995 0.000 -5.210) 7.218 12.460 ( -3.121 0.000 0.338) 3.139 12.514 ( -5.240 0.000 2.541) 5.823 12.676 ( 0.060 0.000 7.400) 7.400 12.730 ( 1.253 0.000 0.564) 1.374 12.847 ( -2.486 0.000 -0.740) 2.594 13.043 ( -1.088 0.000 0.646) 1.265 13.205 ( 0.354 0.000 2.327) 2.353 13.262 ( -1.681 0.000 -0.628) 1.794 13.378 ( -0.287 0.000 1.365) 1.395 13.484 ( -1.445 0.000 0.736) 1.621 13.488 ( -2.779 0.000 -0.344) 2.800 13.554 ( -1.276 0.000 -4.001) 4.199 13.710 ( 0.491 0.000 0.319) 0.585 13.726 ( -1.834 0.000 -4.604) 4.956 13.945 ( -5.419 0.000 -4.719) 7.185 14.004 ( -1.945 0.000 0.256) 1.961 14.099 ( -0.847 0.000 -7.969) 8.014 14.152 ( 1.724 0.000 -1.752) 2.458 14.354 ( -0.357 0.000 4.002) 4.018 14.357 ( 0.428 0.000 3.121) 3.151 14.827 ( 0.549 0.000 -1.795) 1.877 14.902 ( 1.665 0.000 0.451) 1.725 15.177 ( 1.112 0.000 0.277) 1.146 15.230 ( 0.955 0.000 -3.620) 3.744 15.330 ( 1.308 0.000 3.759) 3.980 15.361 ( 0.524 0.000 -1.904) 1.975 15.746 ( -1.079 0.000 1.741) 2.049 15.761 ( -0.760 0.000 4.854) 4.913 ======================= Grid point 119 (61/117) ======================= q-point: (-0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -35.317 0.000 25.223) 43.399 2.817 ( -34.199 0.000 34.386) 48.497 4.187 ( -39.169 0.000 29.395) 48.973 4.271 ( -12.556 0.000 23.699) 26.820 4.420 ( -14.917 0.000 -0.255) 14.919 4.533 ( -5.345 0.000 17.844) 18.627 4.543 ( -23.012 0.000 6.468) 23.904 5.443 ( -4.798 0.000 -18.771) 19.375 5.614 ( -0.506 0.000 -27.398) 27.403 5.694 ( 2.384 0.000 -35.186) 35.266 5.828 ( -0.103 0.000 -27.162) 27.162 6.060 ( 12.555 0.000 -22.738) 25.974 6.275 ( 7.175 0.000 1.582) 7.348 6.285 ( 4.329 0.000 -20.982) 21.424 6.399 ( -2.428 0.000 -7.100) 7.504 6.626 ( 5.000 0.000 3.190) 5.931 6.643 ( 2.760 0.000 5.307) 5.982 6.814 ( -11.062 0.000 10.487) 15.243 6.846 ( -16.237 0.000 19.359) 25.267 7.110 ( -2.486 0.000 5.319) 5.871 7.116 ( -5.015 0.000 0.890) 5.093 7.286 ( 8.562 0.000 8.312) 11.933 7.455 ( 12.002 0.000 -2.682) 12.298 7.513 ( 12.091 0.000 -4.393) 12.864 7.658 ( 4.955 0.000 10.430) 11.547 7.754 ( 25.191 0.000 -3.374) 25.416 7.787 ( 1.714 0.000 5.706) 5.958 8.141 ( 7.169 0.000 16.740) 18.211 8.170 ( -3.008 0.000 -13.217) 13.555 8.196 ( 7.952 0.000 14.629) 16.651 8.543 ( -7.398 0.000 -7.876) 10.805 8.678 ( 1.933 0.000 6.886) 7.152 8.691 ( -7.752 0.000 12.110) 14.379 8.848 ( 3.017 0.000 -6.870) 7.503 8.977 ( 8.542 0.000 9.377) 12.685 9.005 ( -1.229 0.000 -3.456) 3.668 9.206 ( -2.658 0.000 -5.860) 6.435 9.515 ( 6.523 0.000 -7.666) 10.066 9.653 ( 2.824 0.000 -2.350) 3.674 9.696 ( 7.893 0.000 5.549) 9.649 9.853 ( 0.643 0.000 -1.504) 1.635 9.878 ( 3.007 0.000 -0.622) 3.071 10.253 ( 2.417 0.000 3.065) 3.903 10.419 ( -1.865 0.000 4.305) 4.692 10.430 ( -0.196 0.000 -1.955) 1.965 10.496 ( -4.491 0.000 -8.170) 9.323 10.564 ( 1.312 0.000 1.330) 1.868 10.641 ( 3.142 0.000 -2.034) 3.743 10.797 ( -3.094 0.000 -6.049) 6.795 10.875 ( -2.346 0.000 3.447) 4.170 10.997 ( 0.459 0.000 1.650) 1.712 11.064 ( 3.069 0.000 -0.559) 3.119 11.195 ( 1.307 0.000 -6.109) 6.247 11.211 ( -1.303 0.000 -8.869) 8.964 11.277 ( 0.521 0.000 1.986) 2.053 11.293 ( 5.168 0.000 3.805) 6.417 11.741 ( -7.451 0.000 -1.777) 7.660 11.854 ( -8.106 0.000 4.646) 9.343 11.969 ( -5.564 0.000 0.078) 5.564 12.156 ( -2.565 0.000 5.173) 5.774 12.255 ( 0.657 0.000 -4.882) 4.926 12.293 ( -4.657 0.000 -7.082) 8.476 12.416 ( -1.328 0.000 -0.426) 1.395 12.416 ( -5.208 0.000 3.411) 6.225 12.735 ( -0.305 0.000 -2.645) 2.662 12.741 ( 2.739 0.000 9.164) 9.565 12.808 ( -1.780 0.000 2.633) 3.178 13.011 ( -2.466 0.000 -0.699) 2.563 13.204 ( -1.420 0.000 3.203) 3.504 13.229 ( -1.514 0.000 -0.049) 1.515 13.359 ( -1.801 0.000 -2.769) 3.303 13.420 ( -2.872 0.000 -0.812) 2.985 13.458 ( -1.158 0.000 -0.998) 1.529 13.528 ( -0.007 0.000 -2.380) 2.380 13.655 ( -3.680 0.000 -3.599) 5.147 13.687 ( -2.866 0.000 -0.088) 2.867 13.852 ( -2.128 0.000 -0.976) 2.341 13.953 ( -2.819 0.000 -0.258) 2.831 14.064 ( 0.230 0.000 -6.734) 6.737 14.163 ( 1.010 0.000 -3.709) 3.844 14.366 ( -0.444 0.000 5.596) 5.614 14.394 ( 1.454 0.000 4.119) 4.368 14.835 ( 0.591 0.000 -0.273) 0.651 14.915 ( -0.614 0.000 1.165) 1.317 15.200 ( 0.924 0.000 -0.349) 0.988 15.243 ( 1.878 0.000 -4.191) 4.592 15.357 ( 0.056 0.000 3.924) 3.924 15.391 ( 2.622 0.000 0.229) 2.632 15.724 ( -1.628 0.000 1.337) 2.107 15.759 ( -1.269 0.000 4.170) 4.359 ======================= Grid point 120 (62/117) ======================= q-point: (-0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -6.569 0.000 49.057) 49.494 2.414 ( -21.145 0.000 48.163) 52.600 3.495 ( -41.295 0.000 62.470) 74.885 4.079 ( -11.575 0.000 2.140) 11.771 4.159 ( -11.478 0.000 3.916) 12.128 4.408 ( -1.505 0.000 17.792) 17.855 4.533 ( -3.756 0.000 20.269) 20.614 5.283 ( -2.754 0.000 -23.679) 23.838 5.468 ( -2.247 0.000 -28.000) 28.090 5.566 ( -2.253 0.000 -35.884) 35.954 5.685 ( -3.472 0.000 -25.924) 26.155 6.142 ( -4.664 0.000 -7.921) 9.191 6.206 ( 10.252 0.000 -20.994) 23.364 6.384 ( 3.482 0.000 1.999) 4.015 6.405 ( -6.673 0.000 3.797) 7.677 6.568 ( -14.382 0.000 19.398) 24.148 6.595 ( 1.354 0.000 5.588) 5.750 6.777 ( 5.288 0.000 10.131) 11.428 6.853 ( 4.298 0.000 6.224) 7.563 7.095 ( 0.375 0.000 -3.717) 3.736 7.123 ( 5.139 0.000 -3.854) 6.424 7.361 ( 1.040 0.000 0.427) 1.124 7.568 ( -2.741 0.000 -6.187) 6.767 7.746 ( 0.089 0.000 11.299) 11.300 7.808 ( 4.975 0.000 -23.338) 23.862 7.822 ( 15.498 0.000 2.247) 15.660 8.134 ( -2.900 0.000 -7.536) 8.075 8.147 ( 11.078 0.000 -0.187) 11.080 8.198 ( -2.784 0.000 15.455) 15.703 8.400 ( 10.079 0.000 10.780) 14.758 8.451 ( 2.702 0.000 2.503) 3.683 8.576 ( -6.219 0.000 10.180) 11.929 8.648 ( -2.941 0.000 -0.644) 3.010 8.848 ( -2.754 0.000 -10.145) 10.512 9.044 ( 3.895 0.000 1.846) 4.311 9.072 ( -1.483 0.000 -0.911) 1.741 9.155 ( 3.433 0.000 -7.562) 8.305 9.551 ( 0.887 0.000 -11.541) 11.575 9.669 ( -0.317 0.000 -0.873) 0.928 9.816 ( -0.122 0.000 -0.372) 0.391 9.928 ( 4.934 0.000 1.850) 5.269 9.980 ( 7.231 0.000 5.606) 9.150 10.302 ( 0.899 0.000 3.689) 3.797 10.304 ( -9.738 0.000 7.414) 12.239 10.439 ( 0.612 0.000 -0.603) 0.859 10.452 ( 0.259 0.000 -6.490) 6.496 10.567 ( -0.839 0.000 1.938) 2.112 10.576 ( -10.256 0.000 -9.081) 13.699 10.701 ( 2.138 0.000 -0.754) 2.267 10.852 ( -1.862 0.000 4.466) 4.839 11.022 ( 1.705 0.000 1.531) 2.291 11.059 ( -2.987 0.000 0.206) 2.994 11.188 ( 1.449 0.000 -8.343) 8.468 11.259 ( 7.065 0.000 -7.966) 10.648 11.343 ( 5.102 0.000 3.290) 6.071 11.461 ( 9.364 0.000 1.698) 9.516 11.639 ( -2.163 0.000 1.231) 2.489 11.750 ( -3.762 0.000 5.494) 6.659 11.880 ( -3.190 0.000 1.872) 3.699 12.090 ( -5.274 0.000 3.086) 6.110 12.203 ( -1.872 0.000 -6.343) 6.614 12.246 ( 0.421 0.000 -3.171) 3.199 12.317 ( -5.039 0.000 3.005) 5.867 12.438 ( 3.424 0.000 -3.284) 4.745 12.713 ( -0.029 0.000 -4.672) 4.672 12.794 ( -0.966 0.000 4.917) 5.011 12.839 ( 2.210 0.000 6.738) 7.091 12.947 ( -2.354 0.000 -1.023) 2.567 13.177 ( -1.709 0.000 1.399) 2.209 13.199 ( -1.598 0.000 0.408) 1.649 13.292 ( -2.328 0.000 -3.300) 4.039 13.392 ( -0.519 0.000 0.495) 0.717 13.432 ( -0.696 0.000 -2.410) 2.508 13.511 ( -2.871 0.000 -2.340) 3.704 13.583 ( -0.005 0.000 -2.074) 2.074 13.628 ( -2.529 0.000 -0.237) 2.540 13.839 ( 0.117 0.000 2.132) 2.135 13.899 ( -2.171 0.000 -1.479) 2.627 14.046 ( 0.566 0.000 -6.626) 6.650 14.175 ( 1.801 0.000 -4.124) 4.500 14.377 ( -1.038 0.000 6.453) 6.536 14.437 ( 1.057 0.000 4.369) 4.495 14.847 ( 0.468 0.000 1.480) 1.553 14.893 ( -1.933 0.000 1.722) 2.589 15.198 ( -0.884 0.000 -1.251) 1.532 15.265 ( 1.872 0.000 -4.208) 4.606 15.373 ( -0.077 0.000 4.631) 4.632 15.454 ( 2.881 0.000 2.062) 3.543 15.693 ( -2.090 0.000 1.262) 2.441 15.742 ( -2.039 0.000 3.356) 3.927 ======================= Grid point 121 (63/117) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 1.352 -0.394 51.870) 51.889 2.604 ( -4.333 21.335 49.804) 54.355 3.149 ( -5.683 -40.513 16.250) 44.019 3.737 ( -0.799 17.767 54.172) 57.016 3.818 ( -4.071 -14.232 39.809) 42.472 4.759 ( -4.759 39.812 1.569) 40.126 5.048 ( -0.759 16.097 -7.563) 17.802 5.171 ( -6.368 11.667 -11.588) 17.634 5.222 ( -3.710 -8.660 -21.820) 23.767 5.353 ( -3.208 2.282 -24.972) 25.280 5.618 ( -1.151 -5.156 -0.696) 5.329 5.681 ( 4.055 -18.501 -2.016) 19.047 5.931 ( -3.776 -12.148 -14.397) 19.212 6.070 ( -0.163 -17.324 -11.709) 20.910 6.229 ( -0.374 -17.824 -3.921) 18.254 6.378 ( -4.943 -22.495 9.656) 24.974 6.892 ( 1.637 13.420 0.457) 13.527 6.941 ( -2.559 12.510 1.408) 12.846 7.126 ( 8.375 5.014 -6.593) 11.779 7.269 ( 1.995 11.515 -2.526) 11.957 7.320 ( 5.723 5.860 -2.699) 8.624 7.408 ( -5.499 0.826 -16.815) 17.711 7.473 ( -0.340 8.025 0.788) 8.071 7.743 ( -5.193 0.994 -14.742) 15.662 7.831 ( -6.906 10.214 6.633) 14.000 8.036 ( 8.614 -6.916 8.527) 13.955 8.062 ( 6.839 -4.578 -4.507) 9.383 8.132 ( -4.933 1.916 5.545) 7.666 8.220 ( -7.682 -2.843 3.759) 9.013 8.477 ( 0.154 2.478 8.804) 9.147 8.537 ( -5.535 -4.539 -0.745) 7.197 8.648 ( 4.340 -4.004 -0.501) 5.926 8.678 ( 5.771 3.596 7.718) 10.286 8.765 ( 8.725 3.009 -3.932) 10.032 8.930 ( 1.842 -2.492 -0.881) 3.222 9.036 ( 3.921 -8.702 5.196) 10.868 9.312 ( 5.405 3.042 -9.360) 11.228 9.490 ( -1.045 -2.151 -7.857) 8.213 9.663 ( -2.298 2.875 -1.688) 4.049 9.730 ( -2.968 -0.716 -3.949) 4.992 9.992 ( -1.451 -1.072 1.942) 2.651 10.043 ( -2.702 -0.628 1.342) 3.082 10.198 ( 0.135 1.452 6.022) 6.196 10.296 ( -0.873 -1.639 2.244) 2.913 10.372 ( -4.297 -0.486 3.852) 5.791 10.373 ( -0.765 -1.774 2.954) 3.530 10.549 ( -2.158 3.395 -1.408) 4.262 10.640 ( 0.841 0.601 -0.441) 1.124 10.754 ( 3.196 4.759 -2.690) 6.332 10.898 ( -1.641 3.719 0.779) 4.139 10.965 ( -4.331 -0.259 -0.444) 4.361 11.122 ( 4.701 2.081 -5.731) 7.699 11.134 ( 0.199 -1.022 -2.551) 2.755 11.348 ( 5.501 -2.497 -7.668) 9.761 11.459 ( 4.175 -1.619 1.364) 4.681 11.537 ( 5.803 -3.251 3.950) 7.736 11.675 ( 0.724 -0.031 2.564) 2.664 11.724 ( -0.176 -3.194 3.988) 5.113 11.911 ( 1.013 2.439 0.717) 2.736 11.981 ( -4.318 -0.891 1.066) 4.536 12.164 ( 0.437 1.554 -4.066) 4.374 12.248 ( 2.622 -1.655 -1.836) 3.603 12.306 ( -0.631 4.813 -0.234) 4.860 12.509 ( 4.633 -1.638 -6.137) 7.862 12.704 ( 1.041 0.292 -1.402) 1.771 12.782 ( -2.147 -2.357 -0.180) 3.193 12.828 ( 0.401 0.676 3.711) 3.793 12.920 ( -0.404 -2.448 2.364) 3.427 13.148 ( 0.285 -1.265 -0.248) 1.320 13.191 ( 2.263 -2.548 2.498) 4.226 13.274 ( -0.017 2.419 -1.152) 2.679 13.376 ( -0.096 0.712 -3.273) 3.350 13.409 ( -0.533 -0.542 -1.234) 1.449 13.447 ( -1.813 -0.094 -1.574) 2.403 13.601 ( -1.690 3.462 -2.401) 4.540 13.699 ( 2.329 4.868 -0.257) 5.403 13.815 ( 0.346 -2.377 -1.684) 2.934 13.897 ( 0.522 0.343 -1.682) 1.795 13.978 ( 1.869 -2.215 -2.495) 3.824 14.179 ( 0.368 -4.469 1.022) 4.599 14.396 ( -0.523 3.241 3.020) 4.461 14.480 ( -0.058 0.341 3.069) 3.089 14.862 ( -1.199 0.389 2.099) 2.448 14.873 ( -0.026 0.224 2.224) 2.236 15.174 ( -1.956 1.616 -1.901) 3.171 15.260 ( 0.279 -1.996 -3.466) 4.009 15.412 ( -0.117 2.514 4.241) 4.932 15.500 ( 1.523 -1.339 3.363) 3.927 15.655 ( -2.636 0.566 1.713) 3.194 15.695 ( -2.648 -1.072 2.479) 3.782 ======================= Grid point 122 (64/117) ======================= q-point: ( 0.09 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 17.745 -6.854 49.686) 53.203 2.759 ( 3.094 16.872 47.065) 50.093 3.231 ( 6.105 -34.636 20.623) 40.771 3.769 ( -6.282 -33.534 32.848) 47.360 4.362 ( 27.916 31.816 47.782) 63.833 4.706 ( -0.336 36.434 -2.810) 36.543 4.933 ( -3.103 4.113 -18.053) 18.774 5.008 ( -1.473 11.398 -14.791) 18.731 5.151 ( -0.135 11.484 -17.991) 21.345 5.224 ( 1.723 14.855 -19.938) 24.923 5.520 ( -1.365 10.941 -19.949) 22.794 5.718 ( -10.232 -12.444 -17.958) 24.126 5.919 ( 8.159 -24.311 12.929) 28.718 6.048 ( 1.711 -19.837 -2.598) 20.080 6.158 ( -4.271 -21.327 -0.955) 21.771 6.355 ( -0.120 -22.653 12.054) 25.660 6.824 ( -7.804 7.648 -3.742) 11.549 6.910 ( -2.416 5.436 1.515) 6.138 7.092 ( -7.674 5.762 -1.516) 9.715 7.243 ( 1.503 11.240 -15.338) 19.075 7.272 ( 0.320 -2.044 -4.708) 5.143 7.436 ( -1.665 6.256 -15.779) 17.055 7.542 ( 6.838 3.112 5.309) 9.199 7.630 ( -3.815 -3.898 0.778) 5.509 7.721 ( -1.684 7.416 -0.003) 7.605 7.945 ( -10.765 -2.843 1.600) 11.249 8.053 ( -2.510 -10.236 -3.838) 11.217 8.165 ( 0.799 -4.637 3.264) 5.727 8.314 ( 6.168 0.768 8.976) 10.918 8.389 ( -6.209 2.952 -0.630) 6.904 8.497 ( -2.143 4.588 12.636) 13.613 8.789 ( 1.250 6.357 -0.842) 6.533 8.796 ( 5.940 -5.088 1.929) 8.056 8.833 ( 5.179 6.220 3.232) 8.715 8.987 ( 3.124 1.314 -0.832) 3.489 9.160 ( 6.062 -4.198 4.157) 8.465 9.415 ( 3.434 -1.802 -9.090) 9.883 9.444 ( 2.807 -1.409 -7.532) 8.161 9.656 ( 3.435 3.006 -1.418) 4.780 9.695 ( 1.610 -0.271 -4.839) 5.106 9.894 ( -4.534 1.769 0.206) 4.871 10.024 ( -1.770 -1.463 1.775) 2.902 10.218 ( -1.192 1.234 6.660) 6.877 10.274 ( -4.073 1.897 5.244) 6.905 10.332 ( 0.850 -2.706 -0.546) 2.888 10.383 ( -0.646 -2.882 3.819) 4.828 10.508 ( -0.695 -0.375 -2.692) 2.806 10.634 ( -1.170 -3.440 -1.783) 4.047 10.804 ( 0.950 3.453 -0.003) 3.581 10.842 ( -4.050 0.436 1.963) 4.522 10.900 ( -0.422 5.521 -2.078) 5.914 11.103 ( -2.690 -0.155 -0.891) 2.838 11.160 ( 1.137 4.980 -5.764) 7.702 11.396 ( 0.076 -1.193 -5.832) 5.953 11.507 ( 1.057 -4.650 -1.913) 5.138 11.605 ( -1.033 -2.791 -2.025) 3.600 11.695 ( -2.747 -3.419 2.569) 5.083 11.711 ( 1.012 -3.013 3.884) 5.019 11.926 ( 0.295 1.509 1.605) 2.223 11.989 ( 4.553 -0.967 -0.284) 4.663 12.180 ( 2.133 4.641 -2.748) 5.800 12.303 ( 3.234 -1.627 -2.315) 4.297 12.326 ( 3.031 6.083 -0.517) 6.816 12.580 ( 5.167 -2.853 -6.148) 8.523 12.730 ( -1.318 0.092 -2.558) 2.879 12.740 ( 2.852 -0.321 -0.937) 3.019 12.887 ( 2.301 -2.347 6.823) 7.574 12.924 ( 0.419 -1.753 2.726) 3.268 13.165 ( 1.445 0.151 0.789) 1.653 13.223 ( -0.229 -1.863 2.868) 3.427 13.336 ( 5.266 0.176 -3.808) 6.501 13.340 ( -0.553 2.424 -1.520) 2.914 13.411 ( 1.046 -1.376 -0.980) 1.987 13.437 ( 1.156 0.262 -1.703) 2.075 13.565 ( -0.791 4.565 -0.913) 4.722 13.759 ( 3.476 3.120 -0.887) 4.754 13.823 ( 1.277 -0.212 -2.489) 2.806 13.926 ( 3.600 -2.414 -4.692) 6.387 14.013 ( 2.118 -1.750 -0.589) 2.810 14.195 ( 0.711 -4.012 0.862) 4.165 14.388 ( -1.191 3.312 2.412) 4.267 14.484 ( -0.669 -0.132 2.632) 2.719 14.842 ( -1.293 1.245 1.643) 2.433 14.890 ( 0.509 -0.879 1.867) 2.125 15.125 ( -1.971 1.960 -1.833) 3.330 15.243 ( -0.777 -3.540 -2.672) 4.503 15.409 ( -1.765 3.828 2.797) 5.058 15.524 ( -0.559 -1.467 2.054) 2.585 15.614 ( -2.243 0.493 3.978) 4.593 15.655 ( -2.131 -1.060 2.892) 3.746 ======================= Grid point 123 (65/117) ======================= q-point: ( 0.18 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 16.404 10.494 35.657) 40.628 3.329 ( 27.144 -8.221 38.929) 48.165 3.545 ( 16.281 -23.904 22.275) 36.506 3.853 ( 3.585 -26.040 25.631) 36.713 4.680 ( 3.972 18.972 -17.451) 26.082 4.765 ( 1.967 15.198 -11.365) 19.079 4.826 ( 0.734 6.589 -14.199) 15.671 5.054 ( 3.052 13.710 -21.693) 25.843 5.166 ( -3.755 25.636 -2.577) 26.037 5.387 ( 9.463 8.953 -4.014) 13.632 5.462 ( 9.519 3.577 -9.489) 13.909 5.511 ( 12.724 0.792 6.195) 14.174 5.946 ( -1.464 -5.619 -0.932) 5.881 6.074 ( 0.816 -23.645 -5.023) 24.186 6.121 ( -0.918 -11.842 -1.763) 12.008 6.464 ( -0.600 -18.810 14.815) 23.951 6.620 ( -8.757 0.784 -1.979) 9.012 6.800 ( -8.043 -5.592 1.579) 9.923 6.987 ( -3.172 10.886 -1.886) 11.495 7.147 ( -7.502 -7.104 -4.303) 11.192 7.243 ( -3.902 4.961 -9.963) 11.794 7.367 ( 1.989 6.492 -6.201) 9.195 7.486 ( -1.356 -4.501 -4.788) 6.710 7.671 ( -7.035 0.946 8.750) 11.267 7.704 ( -2.622 3.400 5.256) 6.787 7.796 ( -1.207 -1.478 -0.313) 1.934 8.034 ( 3.518 -11.760 -5.809) 13.581 8.135 ( -3.779 -4.567 5.032) 7.776 8.239 ( -9.459 5.316 -1.354) 10.935 8.368 ( -2.971 5.622 9.369) 11.323 8.577 ( 3.888 -0.153 8.100) 8.986 8.760 ( -0.997 1.975 2.814) 3.579 8.895 ( 2.061 0.854 2.543) 3.383 9.014 ( 6.895 8.924 1.237) 11.345 9.033 ( 3.640 -0.666 1.744) 4.090 9.249 ( 0.191 2.548 4.353) 5.047 9.389 ( 2.162 2.376 -7.906) 8.534 9.525 ( 4.951 -7.622 -4.045) 9.948 9.707 ( 1.915 1.831 -3.180) 4.139 9.787 ( 6.908 -1.905 -5.145) 8.821 9.863 ( 2.115 2.260 -3.660) 4.793 9.978 ( -3.208 -1.426 0.772) 3.594 10.188 ( -5.502 2.060 5.063) 7.756 10.233 ( -0.661 3.358 5.125) 6.163 10.331 ( -1.500 0.444 -2.148) 2.657 10.363 ( -2.144 -1.273 1.051) 2.706 10.516 ( 1.937 -5.585 -0.337) 5.921 10.584 ( -2.537 -4.901 -1.410) 5.696 10.767 ( -3.124 0.425 4.437) 5.443 10.807 ( -2.060 0.135 3.370) 3.952 10.918 ( 1.698 7.110 -1.759) 7.518 11.023 ( -4.622 0.920 -0.148) 4.715 11.135 ( -1.229 2.457 -3.425) 4.391 11.284 ( -7.517 0.524 -5.845) 9.536 11.458 ( -8.654 -5.402 -3.811) 10.890 11.493 ( -3.835 -4.096 -3.701) 6.721 11.657 ( 0.853 1.319 -0.681) 1.712 11.778 ( 3.233 -5.331 1.606) 6.438 11.978 ( 3.758 4.095 2.843) 6.243 12.091 ( 5.245 -2.474 -0.116) 5.800 12.232 ( 4.040 4.531 -0.691) 6.109 12.342 ( 1.747 -1.272 -2.557) 3.347 12.425 ( 6.705 6.257 -0.495) 9.184 12.666 ( 5.132 -2.996 -3.746) 7.024 12.719 ( 1.421 1.831 -2.361) 3.309 12.808 ( 3.716 -1.777 -0.299) 4.130 12.934 ( 1.100 -0.606 2.991) 3.244 12.970 ( 0.913 -4.237 5.701) 7.162 13.184 ( -0.738 -0.111 1.331) 1.526 13.235 ( 0.091 -1.766 2.431) 3.007 13.325 ( 2.176 3.028 -2.942) 4.749 13.411 ( -1.030 1.255 -0.520) 1.705 13.453 ( 4.990 1.200 0.237) 5.138 13.490 ( 5.235 -0.878 -3.069) 6.131 13.583 ( 2.904 2.872 0.420) 4.106 13.815 ( 2.416 0.946 -1.968) 3.256 13.845 ( 1.614 2.755 -0.884) 3.314 13.979 ( 3.422 -6.763 -7.564) 10.708 14.064 ( 3.413 -0.088 0.206) 3.421 14.210 ( 0.730 -3.080 -0.474) 3.200 14.373 ( -0.972 3.141 1.430) 3.586 14.474 ( -1.251 -0.194 1.514) 1.974 14.825 ( -0.891 1.781 0.599) 2.080 14.904 ( 0.295 -1.749 0.524) 1.850 15.085 ( -1.344 1.852 -1.592) 2.787 15.203 ( -2.564 -4.094 -0.974) 4.927 15.371 ( -2.125 4.715 -0.433) 5.189 15.500 ( -1.527 -1.287 0.051) 1.998 15.605 ( -1.150 0.110 6.624) 6.724 15.640 ( -0.943 -0.848 4.216) 4.402 ======================= Grid point 124 (66/117) ======================= q-point: ( 0.27 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 25.238 5.376 21.089) 33.326 4.005 ( 25.527 -8.097 25.016) 36.647 4.015 ( 20.059 -13.880 14.360) 28.306 4.156 ( 20.215 -13.596 22.368) 33.073 4.687 ( 3.417 11.326 -12.038) 16.878 4.757 ( 7.893 9.149 -22.400) 25.452 4.877 ( 7.041 8.496 -13.329) 17.303 4.983 ( -1.384 12.650 -9.865) 16.101 5.115 ( 1.755 23.400 -3.542) 23.731 5.371 ( 4.388 0.770 -19.480) 19.983 5.472 ( 6.558 -9.635 -16.196) 19.954 5.901 ( 4.023 -10.182 -6.282) 12.622 6.043 ( -3.393 -17.656 0.640) 17.991 6.087 ( 1.417 -0.130 -7.039) 7.181 6.232 ( 10.455 -3.347 15.411) 18.921 6.371 ( -6.118 -13.365 7.154) 16.347 6.541 ( 1.881 6.940 7.706) 10.540 6.648 ( -8.313 -2.118 -1.791) 8.763 6.873 ( -9.697 -7.665 -8.542) 15.025 6.999 ( -0.146 5.396 7.246) 9.036 7.063 ( -8.046 1.678 -0.791) 8.257 7.384 ( 3.490 13.175 -14.237) 19.709 7.424 ( -12.179 7.960 1.586) 14.636 7.560 ( 0.403 -4.709 8.748) 9.943 7.647 ( -4.286 5.550 2.300) 7.380 7.829 ( -0.565 -4.483 7.421) 8.688 7.997 ( -13.047 13.761 -1.024) 18.990 8.062 ( -1.569 -4.574 4.104) 6.342 8.179 ( 8.020 -15.451 -3.259) 17.711 8.302 ( -6.530 8.709 6.873) 12.873 8.646 ( 0.144 -12.477 5.211) 13.523 8.745 ( -3.548 -2.681 1.154) 4.594 8.934 ( 1.397 4.624 2.133) 5.281 9.045 ( 1.050 -1.616 3.603) 4.086 9.121 ( -0.518 4.929 2.095) 5.380 9.268 ( 0.789 1.639 4.193) 4.570 9.446 ( 4.186 2.535 -2.397) 5.449 9.599 ( 3.167 -3.866 -4.941) 7.028 9.714 ( -1.434 -1.070 -5.516) 5.799 9.793 ( -4.597 -2.272 -0.779) 5.187 9.881 ( -3.591 0.768 -4.051) 5.468 9.928 ( 1.766 -0.828 -11.755) 11.916 10.099 ( -4.467 5.138 7.224) 9.926 10.198 ( -4.763 3.931 5.321) 8.152 10.290 ( -0.665 -0.473 2.247) 2.391 10.356 ( 2.745 2.401 -3.491) 5.048 10.506 ( -2.335 -1.888 -1.564) 3.386 10.589 ( 0.854 -7.127 5.930) 9.310 10.726 ( -3.465 0.440 6.166) 7.086 10.770 ( -3.350 -0.908 3.831) 5.170 10.899 ( -3.445 4.390 1.938) 5.907 10.958 ( -1.703 -0.590 -0.756) 1.954 11.085 ( -2.822 0.583 -1.339) 3.177 11.148 ( -2.136 -0.086 -3.085) 3.753 11.268 ( -5.279 2.003 -2.349) 6.116 11.442 ( 0.543 -4.632 -7.004) 8.415 11.701 ( 3.123 2.463 0.184) 3.982 11.857 ( 4.336 -5.512 1.075) 7.095 12.081 ( 4.907 3.880 3.229) 7.039 12.188 ( 4.328 -2.276 0.175) 4.893 12.321 ( 3.927 1.778 1.295) 4.501 12.358 ( 1.457 0.026 -2.802) 3.159 12.572 ( 7.849 5.042 0.048) 9.329 12.743 ( 3.537 -1.665 -1.384) 4.147 12.760 ( 3.108 1.792 -1.661) 3.954 12.866 ( 1.585 -2.908 -1.888) 3.813 12.964 ( 0.499 -0.779 2.644) 2.801 12.984 ( -0.100 -0.991 1.845) 2.096 13.149 ( -2.440 0.132 -1.305) 2.770 13.245 ( -0.186 -4.418 4.093) 6.026 13.370 ( 0.108 2.449 1.273) 2.762 13.388 ( 1.185 3.235 -1.401) 3.719 13.554 ( 4.708 1.047 0.116) 4.824 13.564 ( 3.125 3.298 -2.525) 5.198 13.669 ( 4.655 -2.036 0.414) 5.098 13.839 ( 1.104 -0.912 -2.769) 3.117 13.875 ( 1.225 2.871 0.857) 3.237 13.994 ( 1.251 -6.037 -6.879) 9.237 14.143 ( 4.181 -0.154 -1.419) 4.418 14.221 ( 1.086 -2.211 -2.488) 3.501 14.366 ( -0.204 2.244 0.767) 2.380 14.445 ( -2.020 0.126 0.296) 2.045 14.810 ( -0.552 1.989 -0.659) 2.167 14.905 ( -0.038 -2.236 -1.239) 2.557 15.062 ( -0.338 1.155 -1.051) 1.598 15.141 ( -3.139 -2.680 0.864) 4.217 15.333 ( -0.896 4.603 -2.663) 5.393 15.483 ( -0.118 -2.189 -0.716) 2.306 15.614 ( -0.621 0.463 7.157) 7.199 15.647 ( -0.295 -0.471 5.079) 5.109 ======================= Grid point 125 (67/117) ======================= q-point: ( 0.36 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.244 ( 26.442 1.617 7.465) 27.523 4.399 ( 17.825 -7.328 0.616) 19.282 4.594 ( 25.162 -1.777 17.211) 30.537 4.649 ( 14.068 5.662 -1.722) 15.262 4.821 ( 13.804 1.234 -9.010) 16.530 4.871 ( 10.328 6.103 -3.444) 12.481 4.995 ( 14.019 2.372 -4.128) 14.805 5.082 ( 11.681 9.441 -1.114) 15.061 5.154 ( 3.227 21.168 0.102) 21.412 5.389 ( 6.298 -10.377 -18.713) 22.305 5.619 ( 12.144 -3.892 -10.747) 16.678 5.907 ( -6.214 -14.942 3.412) 16.539 5.960 ( 1.366 -6.265 -11.858) 13.481 6.114 ( 0.257 -8.179 -1.211) 8.272 6.249 ( -2.828 -6.339 -0.975) 7.010 6.265 ( -2.753 -7.807 3.645) 9.045 6.401 ( -15.418 -1.803 -1.130) 15.564 6.518 ( -6.095 -2.601 -0.990) 6.701 6.649 ( -7.392 -3.108 -8.370) 11.591 6.844 ( -9.463 -3.604 -0.514) 10.139 7.138 ( -4.894 6.284 2.409) 8.321 7.282 ( -6.605 1.449 -1.312) 6.888 7.448 ( -1.864 -0.067 3.896) 4.319 7.595 ( -2.763 13.157 -4.547) 14.192 7.699 ( 23.155 16.843 17.468) 33.540 7.717 ( -11.601 19.885 -6.896) 24.032 7.810 ( -1.698 3.701 6.880) 7.995 8.042 ( -4.296 -2.594 4.041) 6.443 8.161 ( -8.744 6.177 8.323) 13.560 8.354 ( 7.331 -14.373 1.238) 16.182 8.522 ( -10.092 -10.490 -13.226) 19.668 8.680 ( -5.176 -13.424 4.346) 15.030 8.942 ( -3.463 3.294 3.088) 5.690 9.065 ( -6.465 1.957 1.111) 6.846 9.150 ( 5.981 -5.346 9.739) 12.617 9.254 ( -8.346 0.710 4.633) 9.572 9.387 ( -8.133 0.396 -6.147) 10.202 9.521 ( -3.772 4.237 -6.572) 8.682 9.583 ( -3.517 -6.006 -5.620) 8.945 9.713 ( -4.086 -4.126 -1.840) 6.092 9.807 ( -2.548 0.690 -1.863) 3.231 9.871 ( -2.530 -2.170 -0.859) 3.442 10.140 ( 3.403 12.613 11.308) 17.279 10.172 ( -0.007 3.378 1.223) 3.593 10.290 ( 0.274 -1.220 -0.806) 1.487 10.431 ( 4.159 0.716 1.932) 4.641 10.455 ( -2.677 -0.297 3.255) 4.225 10.569 ( -5.669 -4.644 6.017) 9.482 10.680 ( -2.862 1.208 3.981) 5.050 10.717 ( -2.167 -0.718 1.987) 3.026 10.849 ( -1.796 2.948 1.340) 3.703 10.956 ( 1.723 -2.009 1.947) 3.286 11.070 ( 1.152 0.224 2.286) 2.569 11.128 ( 0.541 -2.337 -0.418) 2.435 11.263 ( 4.104 4.622 -3.842) 7.278 11.455 ( 3.304 -3.981 -8.268) 9.753 11.774 ( 3.504 3.616 3.131) 5.929 11.959 ( 5.157 -5.081 1.847) 7.471 12.184 ( 4.037 1.577 2.213) 4.866 12.252 ( 1.362 -2.417 0.728) 2.868 12.367 ( 2.174 2.691 0.324) 3.474 12.412 ( 3.205 -0.154 -0.036) 3.209 12.718 ( 5.939 2.447 -0.933) 6.491 12.780 ( 0.203 -0.480 1.262) 1.365 12.823 ( -2.346 0.577 -3.349) 4.130 12.832 ( 2.773 0.818 -1.848) 3.431 12.981 ( 0.761 -1.113 -0.100) 1.352 12.996 ( 0.019 -0.797 -0.460) 0.920 13.089 ( -2.577 1.440 0.102) 2.954 13.257 ( -0.375 -5.776 4.260) 7.187 13.355 ( -0.598 3.871 0.468) 3.945 13.424 ( 1.223 0.666 1.145) 1.803 13.599 ( 1.431 2.992 -2.693) 4.272 13.631 ( 2.815 1.017 0.435) 3.025 13.743 ( 2.462 -1.598 -0.588) 2.993 13.842 ( 0.444 -1.608 -3.058) 3.483 13.900 ( 0.961 0.846 1.663) 2.099 13.979 ( -0.005 -3.146 -6.298) 7.040 14.201 ( 2.064 -0.147 -1.764) 2.719 14.234 ( 1.688 -1.021 -5.320) 5.674 14.366 ( -0.244 0.639 0.748) 1.013 14.403 ( -1.849 0.189 -0.255) 1.876 14.797 ( -0.236 1.955 -1.708) 2.607 14.893 ( -0.336 -2.251 -2.856) 3.651 15.066 ( 1.045 0.357 -0.265) 1.135 15.106 ( -0.699 -1.541 2.163) 2.746 15.315 ( 0.011 4.513 -2.633) 5.225 15.478 ( -0.232 -3.068 -1.558) 3.449 15.641 ( 0.552 0.791 6.575) 6.646 15.667 ( 0.251 -0.061 5.306) 5.313 ======================= Grid point 126 (68/117) ======================= q-point: ( 0.45 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.630 ( 7.350 1.891 -9.930) 12.498 4.718 ( 12.994 1.925 -7.619) 15.185 4.848 ( 13.168 4.882 0.751) 14.064 4.928 ( 3.591 3.735 -7.776) 9.344 5.039 ( 6.242 -0.128 -12.665) 14.120 5.145 ( 17.559 7.143 13.416) 23.223 5.255 ( 13.912 9.422 -3.170) 17.099 5.329 ( 11.930 6.898 6.778) 15.357 5.375 ( 11.456 -7.296 -1.696) 13.688 5.630 ( 20.737 -11.013 4.840) 23.974 5.745 ( 1.410 -7.641 -10.466) 13.035 5.799 ( -3.013 -6.788 -0.297) 7.432 5.880 ( -5.359 0.473 -6.504) 8.441 6.047 ( -4.657 -0.522 2.433) 5.280 6.132 ( 0.786 -8.100 -2.013) 8.383 6.198 ( -0.899 -10.453 -0.254) 10.495 6.321 ( 0.159 -5.671 -2.700) 6.283 6.464 ( -0.165 -10.951 -7.930) 13.522 6.586 ( 6.346 8.490 1.650) 10.727 6.728 ( -0.049 -0.709 3.941) 4.004 7.056 ( -5.173 -3.018 -1.160) 6.100 7.106 ( -5.679 1.052 -3.329) 6.666 7.318 ( -10.146 13.704 7.446) 18.606 7.380 ( -10.312 13.952 -15.872) 23.514 7.613 ( -1.074 12.182 0.107) 12.229 7.788 ( -13.750 4.472 1.032) 14.496 7.823 ( -4.184 11.416 1.613) 12.265 8.106 ( 0.199 -3.015 6.193) 6.891 8.218 ( -9.138 -5.508 -13.073) 16.874 8.283 ( 6.924 -2.851 6.117) 9.669 8.464 ( -3.304 -12.821 -2.432) 13.461 8.515 ( -4.716 -15.356 6.257) 17.240 8.623 ( -18.772 5.318 1.796) 19.594 8.896 ( -6.184 0.546 2.822) 6.819 9.174 ( 1.392 7.192 6.386) 9.718 9.245 ( -3.929 6.127 5.085) 8.879 9.337 ( 0.468 -1.192 -0.667) 1.444 9.450 ( -2.776 0.725 -1.526) 3.250 9.573 ( -3.087 -2.984 -3.542) 5.566 9.595 ( 1.586 -5.565 4.063) 7.070 9.761 ( -2.778 -3.746 -0.918) 4.753 9.803 ( -3.578 -4.405 4.704) 7.371 10.184 ( -0.634 1.158 1.302) 1.854 10.241 ( 0.879 8.023 9.973) 12.830 10.288 ( 0.744 0.358 -0.622) 1.034 10.451 ( -5.150 -2.340 2.928) 6.370 10.472 ( 3.271 0.322 4.559) 5.620 10.520 ( 1.296 -0.887 6.917) 7.093 10.657 ( -0.490 2.439 1.843) 3.096 10.710 ( 1.024 0.199 -0.760) 1.290 10.847 ( 0.771 4.087 1.662) 4.479 11.004 ( 1.689 -0.126 1.615) 2.340 11.128 ( 2.481 -3.080 4.422) 5.932 11.156 ( 2.040 -2.090 -1.031) 3.097 11.341 ( 4.629 3.335 -4.456) 7.239 11.482 ( 2.296 -2.766 -8.463) 9.195 11.866 ( 3.955 3.982 5.998) 8.214 12.065 ( 4.125 -4.747 3.045) 6.987 12.247 ( -1.192 -0.365 -0.178) 1.259 12.255 ( 2.282 -1.166 0.126) 2.566 12.429 ( 2.750 1.744 1.906) 3.773 12.461 ( 1.525 0.204 0.775) 1.723 12.703 ( -5.268 2.207 -1.782) 5.983 12.756 ( -3.090 -0.864 0.489) 3.246 12.770 ( -1.608 1.449 -2.771) 3.516 12.873 ( -1.325 -2.087 -4.291) 4.953 12.981 ( 0.003 0.188 -1.062) 1.078 13.001 ( 2.925 0.271 -0.158) 2.942 13.079 ( 0.332 2.696 3.697) 4.588 13.264 ( -0.419 -4.567 3.294) 5.647 13.360 ( 0.793 2.139 1.254) 2.603 13.447 ( 0.674 -0.619 1.830) 2.046 13.599 ( -0.444 2.395 -2.018) 3.163 13.666 ( 0.760 -0.252 -1.427) 1.636 13.757 ( -0.644 0.755 -1.288) 1.626 13.834 ( 0.293 -1.110 -4.179) 4.334 13.937 ( 1.915 -1.360 2.528) 3.451 13.954 ( 0.376 -0.849 -5.230) 5.311 14.209 ( -0.442 0.371 -2.250) 2.323 14.237 ( 0.799 -0.614 -6.472) 6.550 14.362 ( -0.290 0.151 0.184) 0.375 14.378 ( -0.497 0.030 -0.431) 0.659 14.792 ( 0.599 1.744 -2.018) 2.733 14.871 ( -0.480 -1.647 -3.617) 4.003 15.098 ( 1.890 0.190 0.553) 1.979 15.129 ( 1.689 -1.503 2.836) 3.627 15.304 ( -0.332 3.868 -1.815) 4.285 15.455 ( -1.349 -3.197 -2.019) 4.014 15.686 ( 1.379 0.657 5.061) 5.287 15.698 ( 0.645 0.344 5.188) 5.239 ======================= Grid point 127 (69/117) ======================= q-point: (-0.45 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.477 ( -16.268 4.135 -5.469) 17.653 4.663 ( -20.555 10.035 3.423) 23.129 4.833 ( -11.760 -3.679 -6.840) 14.093 5.067 ( 2.823 -4.247 -6.891) 8.573 5.082 ( -3.543 1.180 -5.303) 6.486 5.218 ( 4.563 -7.867 -10.854) 14.161 5.396 ( 2.330 7.552 0.515) 7.920 5.629 ( 11.820 -0.551 7.986) 14.275 5.687 ( 15.371 -2.293 5.721) 16.561 5.768 ( 6.362 -2.935 -13.252) 14.990 5.793 ( 5.374 -3.045 -6.708) 9.118 5.879 ( 9.685 -7.013 -10.998) 16.246 5.929 ( 11.121 8.059 -4.379) 14.415 6.121 ( 4.381 -4.372 -1.812) 6.449 6.232 ( 4.436 -7.709 -2.193) 9.160 6.259 ( 8.583 -0.947 -6.259) 10.665 6.379 ( 8.373 -0.548 12.165) 14.778 6.519 ( 7.572 -7.584 0.388) 10.724 6.722 ( 2.967 3.478 -2.192) 5.070 6.836 ( 0.268 -2.280 -4.549) 5.096 6.963 ( 6.624 10.326 0.881) 12.299 7.019 ( -2.277 9.590 -1.489) 9.968 7.162 ( -6.355 -2.315 -4.293) 8.011 7.298 ( 2.860 -0.459 2.244) 3.664 7.419 ( -8.929 1.128 3.712) 9.735 7.590 ( -18.548 13.021 0.782) 22.676 7.709 ( 1.528 16.259 0.820) 16.351 7.877 ( -15.173 -6.854 -10.525) 19.697 8.026 ( -17.621 -7.130 2.528) 19.176 8.112 ( -4.257 1.225 11.202) 12.046 8.257 ( -3.172 -7.639 4.054) 9.211 8.535 ( 0.315 -14.115 2.559) 14.348 8.754 ( 0.532 -0.230 5.375) 5.407 8.858 ( 6.654 -1.017 0.538) 6.753 9.133 ( -5.055 7.962 1.456) 9.543 9.224 ( -1.697 3.129 2.936) 4.614 9.343 ( -5.249 2.066 -3.738) 6.767 9.397 ( 3.779 8.625 3.242) 9.959 9.468 ( -4.172 -6.299 4.181) 8.635 9.637 ( -6.470 -0.140 -1.088) 6.563 9.703 ( 2.985 -0.656 4.395) 5.353 9.878 ( 6.155 -9.800 5.355) 12.751 10.149 ( -1.649 -1.110 1.302) 2.376 10.253 ( -3.598 0.541 7.834) 8.637 10.317 ( 3.201 0.228 -1.968) 3.764 10.416 ( 0.750 0.871 2.308) 2.578 10.558 ( 0.075 0.187 5.409) 5.413 10.582 ( 4.789 -0.008 1.066) 4.906 10.681 ( 2.968 2.506 0.948) 3.998 10.741 ( 1.747 0.124 0.545) 1.834 10.877 ( 0.936 5.524 3.301) 6.503 11.032 ( 0.900 1.278 0.202) 1.576 11.169 ( -0.156 -3.290 3.649) 4.915 11.195 ( 1.887 -3.352 -0.428) 3.871 11.390 ( 1.671 1.924 -3.974) 4.721 11.471 ( 0.147 -1.442 -8.716) 8.836 11.975 ( 4.048 3.009 7.480) 9.021 12.133 ( 1.041 -3.821 3.857) 5.528 12.206 ( -2.706 1.085 -1.217) 3.160 12.269 ( -1.215 -2.061 -2.229) 3.270 12.438 ( -2.783 1.998 0.449) 3.456 12.502 ( 2.146 0.106 2.050) 2.970 12.615 ( -3.026 2.025 -0.196) 3.646 12.668 ( -6.326 0.773 -1.421) 6.530 12.675 ( -4.165 -1.576 0.580) 4.491 12.788 ( -4.651 -2.973 -2.597) 6.100 12.970 ( -0.723 2.253 -1.074) 2.599 13.057 ( 1.245 -1.415 -1.108) 2.187 13.121 ( 2.307 3.017 3.190) 4.960 13.267 ( -0.504 -4.052 2.009) 4.551 13.390 ( 1.222 2.586 2.253) 3.641 13.477 ( 1.535 -1.116 2.717) 3.314 13.570 ( -1.657 2.000 -1.257) 2.886 13.647 ( -1.524 -1.422 -3.421) 4.006 13.723 ( -1.572 1.894 -1.797) 3.047 13.815 ( -0.388 -0.303 -5.171) 5.195 13.968 ( 2.361 -0.123 -2.614) 3.524 13.989 ( 2.304 -3.212 1.749) 4.323 14.169 ( -2.423 1.023 -3.107) 4.070 14.215 ( -0.340 -0.485 -6.439) 6.466 14.357 ( -0.237 0.593 -0.061) 0.642 14.373 ( -0.147 0.259 -0.368) 0.473 14.810 ( 1.949 1.070 -1.524) 2.696 14.848 ( -0.248 -0.563 -3.435) 3.490 15.138 ( 1.643 0.535 0.947) 1.970 15.182 ( 2.303 -1.791 2.265) 3.693 15.287 ( -0.673 2.970 -0.780) 3.143 15.411 ( -1.980 -2.843 -2.304) 4.160 15.728 ( 0.918 0.408 3.818) 3.948 15.731 ( 0.535 0.427 4.714) 4.763 ======================= Grid point 128 (70/117) ======================= q-point: (-0.36 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.997 ( -30.360 7.205 0.058) 31.203 4.092 ( -36.991 7.274 12.159) 39.611 4.401 ( -24.874 -15.038 4.219) 29.371 4.731 ( -23.261 -21.937 -5.617) 32.463 5.070 ( -1.104 12.542 -2.071) 12.760 5.331 ( 6.302 1.822 -6.857) 9.490 5.485 ( 4.541 8.183 -11.460) 14.796 5.747 ( 3.384 7.360 -15.216) 17.238 5.816 ( 6.433 0.312 -4.029) 7.597 5.864 ( 2.995 -0.027 -7.030) 7.641 5.901 ( 0.287 -5.128 -15.312) 16.150 6.034 ( -4.815 11.366 -7.132) 14.256 6.093 ( 7.674 -6.067 -11.921) 15.421 6.230 ( 10.266 7.859 -3.879) 13.498 6.268 ( 0.243 -3.004 6.484) 7.150 6.402 ( 14.274 -4.376 -7.557) 16.734 6.498 ( 1.359 -4.747 -1.639) 5.203 6.684 ( 6.504 -4.738 0.101) 8.048 6.736 ( -3.164 -6.865 -4.946) 9.033 6.785 ( 4.785 2.391 -1.957) 5.696 6.893 ( -20.126 9.117 -9.402) 24.012 7.031 ( 6.740 -4.266 16.172) 18.032 7.175 ( 6.261 -5.036 8.947) 12.025 7.327 ( 7.039 0.489 -0.811) 7.102 7.503 ( 5.906 -1.606 1.816) 6.384 7.567 ( -3.724 -7.612 -6.577) 10.727 7.608 ( 6.502 -0.853 19.692) 20.755 7.793 ( -0.324 7.695 5.771) 9.624 7.873 ( 12.294 8.979 7.770) 17.092 8.060 ( -6.957 7.894 15.264) 18.539 8.291 ( 1.528 -3.988 8.911) 9.881 8.548 ( 1.310 -12.510 0.337) 12.583 8.726 ( -3.019 6.668 3.233) 8.002 8.934 ( -1.209 5.010 0.130) 5.156 9.043 ( -4.598 -1.940 1.195) 5.131 9.195 ( -2.089 0.597 -3.603) 4.207 9.251 ( -2.682 0.308 -0.129) 2.702 9.418 ( -1.070 3.015 -0.006) 3.200 9.449 ( 1.613 -3.541 2.394) 4.569 9.568 ( -0.230 1.465 1.064) 1.826 9.753 ( 0.129 -1.389 3.234) 3.522 10.005 ( 4.742 -2.235 1.577) 5.474 10.100 ( -3.771 -3.066 -2.216) 5.342 10.291 ( 5.020 -5.031 2.522) 7.541 10.375 ( 3.401 2.862 -1.502) 4.691 10.455 ( 1.786 0.976 1.127) 2.327 10.547 ( -0.959 2.345 0.805) 2.658 10.671 ( 3.107 -2.841 2.280) 4.788 10.757 ( 1.608 1.807 -2.107) 3.208 10.800 ( 5.590 0.623 2.874) 6.317 10.906 ( 0.631 4.961 4.783) 6.920 11.044 ( 0.376 2.421 -1.447) 2.846 11.162 ( -1.945 -4.130 4.112) 6.144 11.213 ( 0.286 -3.635 -1.518) 3.950 11.371 ( -1.789 1.784 -2.606) 3.630 11.422 ( -1.537 -0.464 -8.624) 8.772 12.074 ( 1.787 0.914 7.148) 7.424 12.110 ( -5.759 1.299 -1.831) 6.181 12.127 ( -4.678 -1.570 4.015) 6.362 12.187 ( -3.996 -1.596 -2.333) 4.895 12.362 ( -3.916 3.674 -2.876) 6.092 12.512 ( -3.665 -2.320 -2.321) 4.919 12.537 ( -4.040 0.997 0.292) 4.171 12.566 ( -1.851 1.238 3.077) 3.798 12.656 ( -0.332 -2.700 1.729) 3.223 12.694 ( -2.976 -2.173 2.699) 4.567 12.939 ( -1.930 3.419 -1.558) 4.224 13.054 ( -0.785 -1.140 -0.536) 1.484 13.172 ( 1.591 0.829 1.885) 2.602 13.258 ( -0.890 -3.055 0.636) 3.245 13.414 ( 0.125 3.517 2.108) 4.102 13.508 ( -0.455 -0.518 1.813) 1.940 13.534 ( -1.234 1.260 0.220) 1.777 13.595 ( -1.831 -1.201 -3.585) 4.201 13.699 ( 0.152 1.361 -1.525) 2.049 13.783 ( -0.753 0.224 -4.487) 4.555 13.993 ( 0.077 -1.719 -0.753) 1.878 14.038 ( 2.550 -3.614 -3.227) 5.475 14.090 ( -3.943 1.909 -3.328) 5.501 14.173 ( -1.342 -0.657 -4.510) 4.751 14.350 ( -0.607 1.000 0.795) 1.414 14.372 ( 0.205 0.713 0.810) 1.099 14.837 ( 0.381 0.582 -2.691) 2.780 14.852 ( 2.518 -0.050 -0.858) 2.660 15.168 ( 1.087 1.100 0.642) 1.675 15.220 ( 0.918 -1.278 -1.105) 1.923 15.291 ( 1.155 1.485 2.183) 2.882 15.367 ( -1.307 -1.855 -2.093) 3.087 15.750 ( -0.142 0.163 3.049) 3.057 15.752 ( -0.214 0.159 4.141) 4.149 ======================= Grid point 129 (71/117) ======================= q-point: (-0.27 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -40.564 15.688 7.785) 44.183 3.435 ( -35.604 2.585 19.635) 40.741 3.961 ( -21.604 -24.444 13.796) 35.420 4.227 ( -24.593 -29.668 -1.704) 38.574 5.046 ( -1.955 23.431 6.739) 24.459 5.271 ( -8.988 22.228 -7.793) 25.211 5.361 ( -39.377 17.532 20.035) 47.533 5.538 ( 1.011 -1.537 -11.442) 11.589 5.732 ( -2.669 3.495 -19.746) 20.230 5.821 ( -1.539 1.641 -20.334) 20.458 5.855 ( 3.099 -3.181 -17.287) 17.848 5.953 ( 4.056 1.702 -20.089) 20.565 6.125 ( 5.943 -0.709 -12.143) 13.537 6.329 ( 5.630 7.667 -5.590) 11.033 6.440 ( -2.146 -9.517 5.235) 11.072 6.529 ( -6.787 -8.488 0.163) 10.869 6.559 ( 0.328 -0.032 -5.273) 5.284 6.605 ( 1.544 -8.938 -8.188) 12.219 6.715 ( 5.628 -15.712 6.141) 17.783 6.852 ( 5.056 -7.162 -2.736) 9.184 6.956 ( 17.521 -11.577 -2.730) 21.177 7.075 ( -0.896 -10.564 -13.133) 16.878 7.295 ( 11.860 3.267 8.102) 14.730 7.499 ( 10.036 0.437 17.896) 20.523 7.634 ( 10.036 9.144 -2.835) 13.870 7.709 ( 4.897 5.669 6.544) 9.947 7.857 ( 3.680 13.974 10.663) 17.959 7.949 ( 10.340 6.141 12.572) 17.397 7.968 ( -1.222 13.138 20.106) 24.049 8.269 ( 16.831 -7.658 7.788) 20.064 8.314 ( -3.255 -1.336 4.244) 5.513 8.596 ( 1.160 -11.317 6.034) 12.878 8.707 ( 1.024 8.165 -0.846) 8.273 8.860 ( -4.204 2.159 1.554) 4.975 8.960 ( -6.346 -1.410 6.312) 9.061 9.057 ( -6.273 -3.884 -2.290) 7.726 9.260 ( 2.171 3.751 -5.486) 6.991 9.451 ( 4.545 3.571 -2.968) 6.497 9.516 ( 4.260 -3.931 0.362) 5.808 9.604 ( 3.252 -0.723 1.375) 3.604 9.764 ( 1.557 -0.770 -1.468) 2.274 10.013 ( -3.476 2.278 -3.294) 5.303 10.089 ( 3.316 -4.604 2.591) 6.237 10.347 ( 1.012 -6.040 -3.200) 6.910 10.424 ( -0.598 -0.775 -2.531) 2.713 10.481 ( 3.445 -2.295 -2.093) 4.639 10.595 ( 3.945 4.091 0.666) 5.722 10.718 ( 0.554 3.057 0.870) 3.226 10.754 ( -0.509 1.278 1.180) 1.812 10.914 ( 2.222 -0.121 2.064) 3.036 10.951 ( 3.223 1.158 0.348) 3.443 11.042 ( 1.052 3.632 -1.257) 3.985 11.136 ( -2.192 -5.720 3.988) 7.309 11.195 ( -0.731 -4.095 -2.653) 4.934 11.326 ( -1.137 2.693 -3.197) 4.332 11.350 ( -2.007 1.762 -6.641) 7.158 11.926 ( -9.536 0.390 -1.721) 9.698 11.977 ( -9.109 -2.478 1.655) 9.584 12.117 ( -3.215 2.306 1.764) 4.332 12.153 ( -0.050 0.488 5.436) 5.458 12.280 ( -1.901 1.466 -4.503) 5.103 12.397 ( -5.725 -3.023 -4.898) 8.118 12.467 ( -3.338 1.357 0.096) 3.604 12.523 ( -3.642 0.192 1.974) 4.147 12.663 ( 0.642 -0.763 6.258) 6.337 12.709 ( 0.738 -2.026 3.948) 4.499 12.886 ( -2.530 3.833 -1.328) 4.781 13.030 ( -1.425 -1.878 -0.598) 2.432 13.196 ( -0.055 -0.470 1.907) 1.965 13.237 ( -1.378 -2.026 0.273) 2.465 13.411 ( -0.893 2.748 0.764) 2.989 13.473 ( -2.809 0.028 -0.742) 2.906 13.510 ( -1.469 0.841 -0.272) 1.715 13.552 ( -1.460 -0.130 -1.913) 2.410 13.710 ( 0.673 0.310 -0.175) 0.762 13.751 ( -0.886 1.472 -3.035) 3.487 13.944 ( -3.751 -0.483 -5.647) 6.796 14.006 ( -3.382 1.593 1.516) 4.034 14.038 ( -0.390 -3.817 -8.623) 9.438 14.151 ( 0.046 -2.826 0.868) 2.957 14.344 ( -0.213 1.626 1.462) 2.197 14.390 ( 0.968 0.901 2.303) 2.656 14.840 ( 0.671 1.293 -1.579) 2.148 14.892 ( 1.463 -0.988 -0.066) 1.767 15.191 ( 1.172 1.311 -0.002) 1.759 15.228 ( 1.132 -0.273 -3.014) 3.231 15.331 ( 1.283 0.192 3.254) 3.503 15.353 ( 0.737 -0.704 -0.945) 1.390 15.747 ( -1.114 0.137 2.020) 2.311 15.758 ( -0.887 -0.304 4.178) 4.282 ======================= Grid point 130 (72/117) ======================= q-point: (-0.18 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -31.826 22.345 21.257) 44.318 2.851 ( -31.777 6.198 32.333) 45.756 3.653 ( -17.842 -34.739 11.344) 40.668 3.816 ( -14.875 -35.888 14.268) 41.386 4.544 ( -48.162 28.078 41.490) 69.494 5.043 ( -1.918 25.154 7.410) 26.293 5.075 ( -9.721 31.364 -1.027) 32.852 5.452 ( -4.313 2.555 -13.223) 14.141 5.628 ( -2.026 1.217 -23.774) 23.891 5.701 ( 3.719 0.613 -30.914) 31.143 5.813 ( -0.184 -1.958 -23.762) 23.843 5.982 ( 5.624 -8.385 -23.945) 25.986 6.017 ( -26.887 -33.740 23.602) 49.177 6.161 ( 1.133 -4.281 -10.879) 11.746 6.370 ( -4.598 -10.321 -2.982) 11.686 6.483 ( -5.835 -13.215 -6.455) 15.822 6.581 ( 9.423 11.761 1.230) 15.121 6.737 ( 14.533 3.884 -6.680) 16.460 6.852 ( 6.945 -10.305 -0.586) 12.440 7.049 ( 5.946 -5.173 -8.692) 11.733 7.082 ( 9.326 -1.158 -4.128) 10.264 7.315 ( 15.792 -8.970 5.202) 18.892 7.555 ( 3.673 16.566 10.407) 19.905 7.742 ( 12.089 0.974 3.793) 12.708 7.752 ( -1.676 9.280 3.381) 10.018 7.788 ( 3.018 12.494 11.450) 17.214 7.910 ( 4.990 13.494 1.149) 14.433 8.127 ( 6.560 -0.564 18.904) 20.017 8.212 ( 4.143 3.980 -1.354) 5.902 8.234 ( 1.702 5.329 1.548) 5.805 8.531 ( 6.726 -9.485 -3.039) 12.018 8.609 ( -1.217 -5.737 12.674) 13.965 8.636 ( -8.674 2.038 3.090) 9.431 8.784 ( -3.135 -2.860 -3.413) 5.446 8.895 ( -1.762 -9.435 -1.302) 9.686 8.991 ( -2.444 -4.846 1.854) 5.735 9.285 ( 2.686 8.829 -3.247) 9.783 9.539 ( 4.262 0.570 -5.571) 7.037 9.622 ( 6.333 -1.183 -2.205) 6.809 9.716 ( 6.828 -1.227 5.626) 8.932 9.823 ( 4.415 1.630 0.666) 4.753 9.935 ( -2.649 2.055 -1.561) 3.698 10.174 ( 4.047 -4.467 2.666) 6.590 10.331 ( -0.714 -7.467 -3.457) 8.259 10.410 ( 0.302 -0.212 -1.597) 1.639 10.498 ( -0.596 -2.424 -6.412) 6.881 10.642 ( -1.127 2.164 2.427) 3.442 10.701 ( -0.406 9.203 -0.032) 9.212 10.744 ( -2.220 -1.968 -0.356) 2.988 10.920 ( -0.105 3.041 1.424) 3.360 11.019 ( 2.556 0.291 -0.404) 2.604 11.062 ( -0.177 -2.137 -2.744) 3.483 11.108 ( -0.228 -3.362 -0.136) 3.373 11.218 ( 3.676 -4.762 1.552) 6.213 11.296 ( 1.095 3.895 -8.251) 9.190 11.319 ( 0.785 2.553 -1.768) 3.203 11.748 ( -7.030 0.707 -1.261) 7.177 11.817 ( -7.194 -2.843 2.593) 8.158 12.025 ( -5.599 4.591 1.613) 7.418 12.149 ( -3.119 -1.012 4.986) 5.968 12.251 ( 0.007 -0.378 -4.338) 4.355 12.272 ( -3.796 -1.808 -6.010) 7.335 12.404 ( -2.828 1.335 -0.302) 3.142 12.459 ( -2.717 1.313 0.392) 3.043 12.709 ( 0.641 -1.339 2.997) 3.344 12.735 ( 0.780 -1.247 7.327) 7.473 12.838 ( -1.910 3.220 0.626) 3.796 12.986 ( -2.616 -2.767 -1.485) 4.087 13.189 ( -1.433 -1.190 2.523) 3.136 13.205 ( -1.897 -1.884 -0.031) 2.673 13.392 ( -1.403 2.383 -2.039) 3.435 13.395 ( -3.504 -0.545 -0.970) 3.676 13.476 ( -1.614 0.743 -1.349) 2.231 13.520 ( -1.095 -0.625 -1.286) 1.801 13.700 ( -1.785 1.131 0.092) 2.116 13.719 ( -1.466 4.380 -2.581) 5.291 13.852 ( -2.553 0.011 -3.251) 4.134 13.952 ( -2.868 1.211 1.845) 3.619 13.991 ( -0.403 -4.597 -7.973) 9.212 14.162 ( 0.350 -3.975 1.057) 4.128 14.358 ( 0.708 2.258 2.329) 3.321 14.425 ( 1.345 0.889 2.890) 3.309 14.848 ( 0.423 1.313 -0.099) 1.383 14.905 ( -0.350 -1.104 0.852) 1.438 15.212 ( 0.920 1.172 -0.868) 1.725 15.244 ( 1.701 -0.065 -3.685) 4.059 15.362 ( 0.545 0.532 3.621) 3.700 15.387 ( 2.420 -0.461 0.826) 2.598 15.726 ( -1.632 0.267 1.656) 2.340 15.752 ( -1.366 -0.761 3.671) 3.990 ======================= Grid point 131 (73/117) ======================= q-point: (-0.09 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -15.971 14.929 39.471) 45.121 2.537 ( -13.311 18.029 45.927) 51.103 3.325 ( -16.196 -41.345 9.268) 45.361 3.752 ( -6.465 -30.913 31.452) 44.572 3.891 ( -31.981 28.432 53.188) 68.265 4.884 ( -8.092 36.831 0.165) 37.710 5.052 ( -0.417 23.249 4.151) 23.621 5.316 ( -3.769 4.302 -14.091) 15.208 5.452 ( -5.221 -1.306 -27.933) 28.447 5.556 ( -15.529 -19.763 5.169) 25.660 5.666 ( -5.416 -18.733 -7.774) 20.993 5.724 ( 0.823 3.132 -17.192) 17.494 6.014 ( 3.900 -10.838 -24.247) 26.844 6.133 ( -1.219 -13.973 -11.274) 17.995 6.235 ( -0.259 -11.206 -11.528) 16.079 6.426 ( -3.419 -23.392 9.838) 25.606 6.775 ( 8.164 13.003 2.405) 15.540 6.953 ( 5.552 -3.367 2.370) 6.912 7.015 ( 7.891 11.003 -5.208) 14.507 7.108 ( 3.513 14.025 -4.029) 15.009 7.186 ( 8.574 3.893 -6.023) 11.178 7.519 ( -2.033 8.205 9.295) 12.564 7.665 ( -8.818 8.243 -1.709) 12.192 7.720 ( 10.292 -4.361 5.880) 12.630 7.828 ( 7.773 2.155 -18.241) 19.945 7.907 ( -2.622 14.223 7.119) 16.120 7.973 ( 4.314 -7.190 -1.600) 8.537 8.201 ( -4.358 1.515 10.720) 11.671 8.319 ( 4.750 7.368 -2.666) 9.163 8.392 ( 6.756 -1.938 7.559) 10.321 8.504 ( -1.229 4.789 3.666) 6.155 8.531 ( -0.531 -3.011 10.072) 10.526 8.642 ( -0.150 -0.231 -2.003) 2.022 8.776 ( -2.521 -7.500 -5.864) 9.849 8.865 ( 2.941 -13.562 -3.010) 14.200 8.955 ( 1.099 -8.395 4.611) 9.640 9.305 ( 0.547 8.480 -6.505) 10.702 9.538 ( -0.500 -2.670 -7.890) 8.345 9.699 ( 0.801 3.034 -1.460) 3.461 9.802 ( -1.535 -1.272 -1.455) 2.468 9.929 ( 4.808 0.446 2.750) 5.557 9.982 ( 6.215 0.010 6.604) 9.069 10.256 ( 0.470 -2.629 5.421) 6.043 10.281 ( -2.726 -4.664 -3.903) 6.665 10.395 ( -1.867 0.306 2.401) 3.056 10.445 ( -1.907 -0.867 -4.600) 5.055 10.598 ( -2.889 3.125 1.980) 4.694 10.655 ( -4.042 1.812 0.159) 4.432 10.719 ( 1.772 5.024 -3.556) 6.405 10.915 ( -0.994 5.367 2.072) 5.838 11.038 ( -2.301 -3.335 -0.784) 4.127 11.055 ( 2.876 0.603 -2.934) 4.153 11.120 ( 1.950 -2.552 -2.499) 4.070 11.283 ( 4.489 -0.029 -10.202) 11.146 11.359 ( 4.057 1.364 1.279) 4.467 11.384 ( 7.038 -4.549 3.987) 9.281 11.661 ( -1.382 1.225 0.983) 2.092 11.728 ( -2.852 -2.020 3.846) 5.197 11.934 ( -3.641 4.816 1.638) 6.256 12.076 ( -5.215 -1.708 2.730) 6.129 12.199 ( -1.593 -0.104 -5.582) 5.806 12.231 ( -0.148 -1.352 -2.540) 2.881 12.345 ( -2.966 2.917 0.166) 4.164 12.451 ( 2.659 0.225 -3.858) 4.691 12.705 ( -0.489 -0.193 -0.599) 0.797 12.788 ( -0.225 -1.842 6.107) 6.383 12.829 ( 0.308 0.653 3.026) 3.111 12.926 ( -1.951 -2.278 -0.899) 3.131 13.155 ( -1.918 -1.289 1.052) 2.539 13.178 ( -0.923 -2.178 0.802) 2.498 13.311 ( -2.947 1.835 -1.313) 3.712 13.381 ( 0.095 0.277 -1.880) 1.903 13.438 ( -1.501 0.343 -1.622) 2.236 13.493 ( -1.460 -1.692 -1.452) 2.665 13.649 ( -2.085 3.555 -3.681) 5.526 13.685 ( -0.888 5.888 0.286) 5.961 13.820 ( -0.476 -1.928 -0.297) 2.008 13.911 ( -1.505 1.017 0.222) 1.830 13.967 ( 0.809 -3.782 -5.530) 6.748 14.171 ( 0.231 -4.328 0.655) 4.384 14.383 ( 0.525 2.885 2.926) 4.142 14.460 ( 0.833 0.767 3.077) 3.279 14.856 ( 0.183 0.904 1.499) 1.760 14.890 ( -1.433 -0.440 1.614) 2.203 15.210 ( -0.722 1.198 -1.674) 2.181 15.260 ( 1.252 -0.701 -3.808) 4.070 15.388 ( 0.534 1.510 4.223) 4.517 15.446 ( 2.584 -0.878 2.469) 3.680 15.696 ( -2.056 0.428 1.458) 2.556 15.732 ( -2.035 -1.023 2.985) 3.754 ======================= Grid point 132 (74/117) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -4.140 -26.097 34.052) 43.101 2.507 ( -4.140 26.097 34.052) 43.101 3.128 ( -6.218 -33.552 40.718) 53.125 3.128 ( -6.218 33.552 40.718) 53.125 4.603 ( 1.611 -46.194 45.841) 65.100 4.603 ( 1.611 46.194 45.841) 65.100 5.174 ( 0.868 -2.976 -23.727) 23.929 5.174 ( 0.868 2.976 -23.727) 23.929 5.394 ( -6.161 -8.960 -14.529) 18.148 5.394 ( -6.161 8.960 -14.529) 18.148 5.602 ( 1.031 -20.645 -9.668) 22.820 5.602 ( 1.031 20.645 -9.668) 22.820 5.853 ( -2.434 -12.138 -11.055) 16.597 5.853 ( -2.434 12.138 -11.055) 16.597 6.024 ( -3.655 -13.659 -1.034) 14.178 6.024 ( -3.655 13.659 -1.034) 14.178 7.016 ( 2.038 -1.211 -1.421) 2.764 7.016 ( 2.038 1.211 -1.421) 2.764 7.278 ( 4.745 -7.112 -12.207) 14.904 7.278 ( 4.745 7.112 -12.207) 14.904 7.411 ( -5.530 -2.991 1.095) 6.382 7.411 ( -5.530 2.991 1.095) 6.382 7.692 ( 1.038 -12.311 -7.023) 14.212 7.692 ( 1.038 12.311 -7.023) 14.212 7.920 ( 1.983 -6.448 -7.306) 9.944 7.920 ( 1.983 6.448 -7.306) 9.944 8.068 ( -9.612 -8.645 6.240) 14.355 8.068 ( -9.612 8.645 6.240) 14.355 8.350 ( -0.899 -12.685 3.976) 13.324 8.350 ( -0.899 12.685 3.976) 13.324 8.573 ( 2.505 -4.216 6.148) 7.864 8.573 ( 2.505 4.216 6.148) 7.864 8.771 ( 9.476 -4.829 3.690) 11.257 8.771 ( 9.476 4.829 3.690) 11.257 8.903 ( 4.057 -1.671 3.349) 5.520 8.903 ( 4.057 1.671 3.349) 5.520 9.401 ( 0.679 -6.049 -7.269) 9.481 9.401 ( 0.679 6.049 -7.269) 9.481 9.711 ( -2.580 -1.991 -2.594) 4.165 9.711 ( -2.580 1.991 -2.594) 4.165 10.008 ( -0.325 -2.432 -0.207) 2.462 10.008 ( -0.325 2.432 -0.207) 2.462 10.244 ( -0.366 -3.190 2.360) 3.985 10.244 ( -0.366 3.190 2.360) 3.985 10.366 ( -3.764 -0.460 4.919) 6.211 10.366 ( -3.764 0.460 4.919) 6.211 10.610 ( -1.793 -2.694 0.027) 3.236 10.610 ( -1.793 2.694 0.027) 3.236 10.877 ( 0.198 -5.856 -1.795) 6.128 10.877 ( 0.198 5.856 -1.795) 6.128 11.009 ( 0.789 -5.289 -2.933) 6.100 11.009 ( 0.789 5.289 -2.933) 6.100 11.264 ( 4.461 -6.739 -7.369) 10.937 11.264 ( 4.461 6.739 -7.369) 10.937 11.472 ( 4.215 -2.958 4.842) 7.068 11.472 ( 4.215 2.958 4.842) 7.068 11.682 ( -0.355 -1.485 2.908) 3.284 11.682 ( -0.355 1.485 2.908) 3.284 11.954 ( -2.193 -2.013 0.067) 2.977 11.954 ( -2.193 2.013 0.067) 2.977 12.206 ( 2.086 -2.592 -2.260) 4.022 12.206 ( 2.086 2.592 -2.260) 4.022 12.421 ( 2.103 -6.761 -3.881) 8.074 12.421 ( 2.103 6.761 -3.881) 8.074 12.734 ( -0.262 -2.543 0.193) 2.564 12.734 ( -0.262 2.543 0.193) 2.564 12.864 ( -0.135 -3.046 2.159) 3.736 12.864 ( -0.135 3.046 2.159) 3.736 13.148 ( 1.005 -1.357 1.497) 2.257 13.148 ( 1.005 1.357 1.497) 2.257 13.333 ( -0.133 -3.696 -1.813) 4.119 13.333 ( -0.133 3.696 -1.813) 4.119 13.435 ( -0.575 -1.466 -2.478) 2.936 13.435 ( -0.575 1.466 -2.478) 2.936 13.687 ( -0.585 -5.051 0.156) 5.087 13.687 ( -0.585 5.051 0.156) 5.087 13.839 ( 1.908 -4.128 -6.749) 8.138 13.839 ( 1.908 4.128 -6.749) 8.138 14.055 ( -0.029 -7.404 4.980) 8.922 14.055 ( -0.029 7.404 4.980) 8.922 14.460 ( -0.087 -2.659 1.502) 3.055 14.460 ( -0.087 2.659 1.502) 3.055 14.871 ( -0.633 -0.445 2.152) 2.287 14.871 ( -0.633 0.445 2.152) 2.287 15.215 ( -1.102 -2.626 -2.661) 3.898 15.215 ( -1.102 2.626 -2.661) 3.898 15.463 ( 0.869 -2.625 3.821) 4.717 15.463 ( 0.869 2.625 3.821) 4.717 15.672 ( -2.573 -1.204 1.938) 3.439 15.672 ( -2.573 1.204 1.938) 3.439 ======================= Grid point 134 (75/117) ======================= q-point: ( 0.09 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 12.588 -15.708 38.371) 43.330 2.747 ( 12.588 15.708 38.371) 43.330 3.188 ( -1.907 -28.373 40.046) 49.115 3.188 ( -1.907 28.373 40.046) 49.115 4.840 ( 4.641 -12.498 -11.600) 17.672 4.840 ( 4.641 12.498 -11.600) 17.672 5.204 ( 4.930 -4.738 -7.724) 10.316 5.204 ( 4.930 4.738 -7.724) 10.316 5.337 ( 10.791 -15.801 9.812) 21.504 5.337 ( 10.791 15.801 9.812) 21.504 5.579 ( 1.448 -22.212 -13.020) 25.787 5.579 ( 1.448 22.212 -13.020) 25.787 5.748 ( -4.409 -13.133 -3.614) 14.317 5.748 ( -4.409 13.133 -3.614) 14.317 5.932 ( -5.244 -20.671 5.895) 22.125 5.932 ( -5.244 20.671 5.895) 22.125 6.925 ( -9.617 -3.290 -6.353) 11.986 6.925 ( -9.617 3.290 -6.353) 11.986 7.187 ( -4.666 -4.392 -4.400) 7.773 7.187 ( -4.666 4.392 -4.400) 7.773 7.474 ( 8.115 -7.182 -7.918) 13.421 7.474 ( 8.115 7.182 -7.918) 13.421 7.583 ( -8.382 -0.489 -6.238) 10.459 7.583 ( -8.382 0.489 -6.238) 10.459 7.844 ( -4.386 -7.364 -4.643) 9.748 7.844 ( -4.386 7.364 -4.643) 9.748 8.002 ( -1.437 -8.732 5.088) 10.208 8.002 ( -1.437 8.732 5.088) 10.208 8.370 ( -0.772 -3.673 6.153) 7.207 8.370 ( -0.772 3.673 6.153) 7.207 8.659 ( 2.411 -9.152 6.311) 11.375 8.659 ( 2.411 9.152 6.311) 11.375 8.920 ( 2.781 -5.350 0.282) 6.037 8.920 ( 2.781 5.350 0.282) 6.037 9.018 ( 8.328 -9.872 6.993) 14.687 9.018 ( 8.328 9.872 6.993) 14.687 9.416 ( 2.638 -2.471 -8.377) 9.124 9.416 ( 2.638 2.471 -8.377) 9.124 9.687 ( 2.036 -1.081 -2.878) 3.687 9.687 ( 2.036 1.081 -2.878) 3.687 9.966 ( -2.794 -4.709 -0.415) 5.491 9.966 ( -2.794 4.709 -0.415) 5.491 10.260 ( 0.721 -3.486 3.776) 5.189 10.260 ( 0.721 3.486 3.776) 5.189 10.321 ( -2.801 -3.070 4.836) 6.377 10.321 ( -2.801 3.070 4.836) 6.377 10.562 ( -2.262 -4.060 -3.354) 5.731 10.562 ( -2.262 4.060 -3.354) 5.731 10.839 ( -3.303 -1.005 1.781) 3.885 10.839 ( -3.303 1.005 1.781) 3.885 11.026 ( 1.096 -6.835 -2.567) 7.383 11.026 ( 1.096 6.835 -2.567) 7.383 11.298 ( 1.316 -7.776 -8.884) 11.879 11.298 ( 1.316 7.776 -8.884) 11.879 11.512 ( -2.446 -4.516 2.154) 5.569 11.512 ( -2.446 4.516 2.154) 5.569 11.680 ( -0.489 -0.787 2.338) 2.515 11.680 ( -0.489 0.787 2.338) 2.515 11.961 ( 2.705 -1.914 0.530) 3.356 11.961 ( 2.705 1.914 0.530) 3.356 12.255 ( 3.091 -3.391 -1.962) 4.990 12.255 ( 3.091 3.391 -1.962) 4.990 12.468 ( 4.347 -8.182 -3.990) 10.088 12.468 ( 4.347 8.182 -3.990) 10.088 12.736 ( 0.941 -0.419 -1.049) 1.470 12.736 ( 0.941 0.419 -1.049) 1.470 12.884 ( 0.871 -1.867 4.010) 4.508 12.884 ( 0.871 1.867 4.010) 4.508 13.184 ( 1.143 -1.763 2.317) 3.128 13.184 ( 1.143 1.763 2.317) 3.128 13.344 ( 2.331 -0.981 -2.274) 3.401 13.344 ( 2.331 0.981 -2.274) 3.401 13.426 ( 0.889 -1.507 -2.316) 2.903 13.426 ( 0.889 1.507 -2.316) 2.903 13.689 ( 0.982 -7.775 -1.318) 7.947 13.689 ( 0.982 7.775 -1.318) 7.947 13.867 ( 3.322 -2.852 -6.043) 7.462 13.867 ( 3.322 2.852 -6.043) 7.462 14.079 ( 0.427 -6.709 5.072) 8.422 14.079 ( 0.427 6.709 5.072) 8.422 14.456 ( -0.633 -2.968 0.781) 3.134 14.456 ( -0.633 2.968 0.781) 3.134 14.868 ( -0.495 -1.451 1.787) 2.354 14.868 ( -0.495 1.451 1.787) 2.354 15.177 ( -1.653 -3.413 -2.219) 4.394 15.177 ( -1.653 3.413 -2.219) 4.394 15.478 ( -0.865 -3.362 2.712) 4.405 15.478 ( -0.865 3.362 2.712) 4.405 15.632 ( -2.180 -1.305 3.097) 4.006 15.632 ( -2.180 1.305 3.097) 4.006 ======================= Grid point 136 (76/117) ======================= q-point: ( 0.18 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( 22.354 -5.546 34.631) 41.591 3.260 ( 22.354 5.546 34.631) 41.591 3.427 ( 12.170 -18.998 30.893) 38.255 3.427 ( 12.170 18.998 30.893) 38.255 4.813 ( 5.356 -3.968 -30.173) 30.900 4.813 ( 5.356 3.968 -30.173) 30.900 5.113 ( -3.850 -15.628 -19.671) 25.416 5.113 ( -3.850 15.628 -19.671) 25.416 5.495 ( 0.929 -20.886 -10.866) 23.561 5.495 ( 0.929 20.886 -10.866) 23.561 5.630 ( -1.685 -15.549 -3.869) 16.112 5.630 ( -1.685 15.549 -3.869) 16.112 5.819 ( 3.974 -17.359 5.608) 18.670 5.819 ( 3.974 17.359 5.608) 18.670 6.017 ( 15.406 -24.519 27.477) 39.919 6.017 ( 15.406 24.519 27.477) 39.919 6.675 ( -9.952 -6.464 -4.168) 12.578 6.675 ( -9.952 6.464 -4.168) 12.578 7.093 ( -5.339 -1.563 -1.713) 5.821 7.093 ( -5.339 1.563 -1.713) 5.821 7.317 ( -10.116 -5.120 -0.247) 11.340 7.317 ( -10.116 5.120 -0.247) 11.340 7.632 ( 6.251 -11.147 -11.941) 17.490 7.632 ( 6.251 11.147 -11.941) 17.490 7.768 ( -2.548 -8.546 -3.236) 9.487 7.768 ( -2.548 8.546 -3.236) 9.487 7.954 ( -3.837 -12.271 3.799) 13.406 7.954 ( -3.837 12.271 3.799) 13.406 8.358 ( -3.515 -5.485 10.344) 12.224 8.358 ( -3.515 5.485 10.344) 12.224 8.686 ( -1.909 -9.190 2.936) 9.835 8.686 ( -1.909 9.190 2.936) 9.835 8.959 ( 1.806 -5.358 1.057) 5.752 8.959 ( 1.806 5.358 1.057) 5.752 9.221 ( 6.020 -8.045 5.417) 11.415 9.221 ( 6.020 8.045 5.417) 11.415 9.421 ( 2.920 -2.048 -6.515) 7.427 9.421 ( 2.920 2.048 -6.515) 7.427 9.744 ( 3.498 -2.401 -5.345) 6.824 9.744 ( 3.498 2.401 -5.345) 6.824 9.923 ( -0.859 -3.828 -0.185) 3.928 9.923 ( -0.859 3.828 -0.185) 3.928 10.261 ( -3.752 -4.690 2.876) 6.659 10.261 ( -3.752 4.690 2.876) 6.659 10.317 ( 1.507 -4.775 5.008) 7.082 10.317 ( 1.507 4.775 5.008) 7.082 10.504 ( -1.700 -3.608 -3.868) 5.555 10.504 ( -1.700 3.608 -3.868) 5.555 10.787 ( -2.852 -1.672 3.714) 4.972 10.787 ( -2.852 1.672 3.714) 4.972 11.011 ( -2.155 -2.657 0.077) 3.422 11.011 ( -2.155 2.657 0.077) 3.422 11.227 ( -4.262 -6.401 -8.115) 11.179 11.227 ( -4.262 6.401 -8.115) 11.179 11.422 ( -5.374 -2.472 -1.371) 6.072 11.422 ( -5.374 2.472 -1.371) 6.072 11.699 ( 2.088 -3.242 0.171) 3.860 11.699 ( 2.088 3.242 0.171) 3.860 12.043 ( 4.628 -2.941 1.473) 5.677 12.043 ( 4.628 2.941 1.473) 5.677 12.303 ( 2.567 -3.003 -1.507) 4.228 12.303 ( 2.567 3.003 -1.507) 4.228 12.562 ( 6.301 -7.565 -3.435) 10.427 12.562 ( 6.301 7.565 -3.435) 10.427 12.766 ( 2.205 -2.903 -0.482) 3.677 12.766 ( 2.205 2.903 -0.482) 3.677 12.924 ( 1.099 -0.295 5.089) 5.215 12.924 ( 1.099 0.295 5.089) 5.215 13.195 ( -0.801 -1.556 1.516) 2.315 13.195 ( -0.801 1.556 1.516) 2.315 13.396 ( 2.333 -3.558 -0.479) 4.282 13.396 ( 2.333 3.558 -0.479) 4.282 13.467 ( 4.657 -1.140 -2.379) 5.352 13.467 ( 4.657 1.140 -2.379) 5.352 13.709 ( 1.583 -8.952 -2.344) 9.389 13.709 ( 1.583 8.952 -2.344) 9.389 13.911 ( 2.938 -2.164 -4.545) 5.829 13.911 ( 2.938 2.164 -4.545) 5.829 14.113 ( 1.319 -5.185 3.166) 6.216 14.113 ( 1.319 5.185 3.166) 6.216 14.443 ( -0.749 -3.163 -0.464) 3.284 14.443 ( -0.749 3.163 -0.464) 3.284 14.864 ( -0.389 -2.327 0.548) 2.422 14.864 ( -0.389 2.327 0.548) 2.422 15.134 ( -1.892 -3.337 -1.409) 4.087 15.134 ( -1.892 3.337 -1.409) 4.087 15.452 ( -1.928 -3.787 0.212) 4.255 15.452 ( -1.928 3.787 0.212) 4.255 15.619 ( -0.928 -1.220 5.300) 5.517 15.619 ( -0.928 1.220 5.300) 5.517 ======================= Grid point 138 (77/117) ======================= q-point: ( 0.27 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( 21.203 -9.740 18.517) 29.788 3.798 ( 21.203 9.740 18.517) 29.788 3.969 ( 28.303 -5.036 27.016) 39.450 3.969 ( 28.303 5.036 27.016) 39.450 4.844 ( 8.503 -1.346 -27.272) 28.599 4.844 ( 8.503 1.346 -27.272) 28.599 4.983 ( 0.750 -7.026 -17.015) 18.424 4.983 ( 0.750 7.026 -17.015) 18.424 5.487 ( 1.991 -7.629 -8.962) 11.937 5.487 ( 1.991 7.629 -8.962) 11.937 5.584 ( -1.372 -19.529 -0.479) 19.583 5.584 ( -1.372 19.529 -0.479) 19.583 5.853 ( 1.106 -20.401 -0.846) 20.449 5.853 ( 1.106 20.401 -0.846) 20.449 6.234 ( -2.159 -6.702 2.652) 7.524 6.234 ( -2.159 6.702 2.652) 7.524 6.596 ( -3.202 -2.365 1.313) 4.192 6.596 ( -3.202 2.365 1.313) 4.192 6.937 ( -8.726 -7.781 -1.263) 11.760 6.937 ( -8.726 7.781 -1.263) 11.760 7.307 ( 6.914 -17.072 13.991) 23.130 7.307 ( 6.914 17.072 13.991) 23.130 7.526 ( -10.220 -7.262 -0.590) 12.551 7.526 ( -10.220 7.262 -0.590) 12.551 7.798 ( 7.701 -18.705 -7.612) 21.613 7.798 ( 7.701 18.705 -7.612) 21.613 7.941 ( -0.075 -10.287 2.872) 10.680 7.941 ( -0.075 10.287 2.872) 10.680 8.306 ( -5.584 -13.276 7.535) 16.255 8.306 ( -5.584 13.276 7.535) 16.255 8.596 ( -7.818 -10.859 0.752) 13.402 8.596 ( -7.818 10.859 0.752) 13.402 9.009 ( 2.013 -2.759 3.515) 4.901 9.009 ( 2.013 2.759 3.515) 4.901 9.223 ( -3.717 -5.358 0.898) 6.582 9.223 ( -3.717 5.358 0.898) 6.582 9.522 ( 5.090 -4.678 -3.557) 7.775 9.522 ( 5.090 4.678 -3.557) 7.775 9.734 ( -2.759 -2.947 -4.947) 6.385 9.734 ( -2.759 2.947 -4.947) 6.385 9.900 ( -2.043 -1.472 -6.582) 7.047 9.900 ( -2.043 1.472 -6.582) 7.047 10.192 ( -2.057 -3.889 4.854) 6.551 10.192 ( -2.057 3.889 4.854) 6.551 10.359 ( -0.112 -4.387 4.455) 6.253 10.359 ( -0.112 4.387 4.455) 6.253 10.485 ( 0.528 -1.652 1.035) 2.019 10.485 ( 0.528 1.652 1.035) 2.019 10.744 ( -3.537 -1.503 4.639) 6.024 10.744 ( -3.537 1.503 4.639) 6.024 10.946 ( -3.883 -1.032 1.162) 4.183 10.946 ( -3.883 1.032 1.162) 4.183 11.121 ( -3.086 -2.439 -3.353) 5.169 11.121 ( -3.086 2.439 -3.353) 5.169 11.341 ( -0.405 -5.456 -4.983) 7.400 11.341 ( -0.405 5.456 -4.983) 7.400 11.764 ( 4.159 -4.329 0.316) 6.012 11.764 ( 4.159 4.329 0.316) 6.012 12.142 ( 4.253 -2.742 1.896) 5.404 12.142 ( 4.253 2.742 1.896) 5.404 12.350 ( 2.544 -1.072 -0.534) 2.811 12.350 ( 2.544 1.072 -0.534) 2.811 12.676 ( 6.033 -5.306 -2.503) 8.415 12.676 ( 6.033 5.306 -2.503) 8.415 12.808 ( 2.069 -3.215 -0.944) 3.937 12.808 ( 2.069 3.215 -0.944) 3.937 12.962 ( 0.701 -0.837 3.965) 4.112 12.962 ( 0.701 0.837 3.965) 4.112 13.171 ( -1.830 -2.638 1.040) 3.374 13.171 ( -1.830 2.638 1.040) 3.374 13.422 ( 0.418 -1.794 0.835) 2.022 13.422 ( 0.418 1.794 0.835) 2.022 13.567 ( 5.300 -1.571 -2.257) 5.971 13.567 ( 5.300 1.571 -2.257) 5.971 13.732 ( 1.657 -7.520 -2.114) 7.985 13.732 ( 1.657 7.520 -2.114) 7.985 13.937 ( 1.103 -2.448 -2.734) 3.832 13.937 ( 1.103 2.448 -2.734) 3.832 14.159 ( 2.662 -2.583 -0.069) 3.710 14.159 ( 2.662 2.583 -0.069) 3.710 14.422 ( -1.105 -2.592 -1.187) 3.058 14.422 ( -1.105 2.592 -1.187) 3.058 14.856 ( -0.341 -2.786 -1.059) 3.000 14.856 ( -0.341 2.786 -1.059) 3.000 15.094 ( -1.522 -2.265 -0.317) 2.748 15.094 ( -1.522 2.265 -0.317) 2.748 15.420 ( -0.885 -4.374 -1.249) 4.634 15.420 ( -0.885 4.374 -1.249) 4.634 15.631 ( -0.229 -1.107 6.156) 6.259 15.631 ( -0.229 1.107 6.156) 6.259 ======================= Grid point 140 (78/117) ======================= q-point: ( 0.36 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.294 ( 23.007 -3.996 5.492) 23.989 4.294 ( 23.007 3.996 5.492) 23.989 4.634 ( 26.901 -5.033 13.965) 30.725 4.634 ( 26.901 5.033 13.965) 30.725 4.922 ( 10.128 -4.041 -9.349) 14.364 4.922 ( 10.128 4.041 -9.349) 14.364 5.046 ( 10.006 -8.546 -16.873) 21.397 5.046 ( 10.006 8.546 -16.873) 21.397 5.495 ( -0.003 -13.532 2.402) 13.744 5.495 ( -0.003 13.532 2.402) 13.744 5.566 ( 1.187 -9.519 -5.822) 11.221 5.566 ( 1.187 9.519 -5.822) 11.221 5.878 ( 3.417 -8.851 -4.529) 10.513 5.878 ( 3.417 8.851 -4.529) 10.513 6.196 ( -2.412 -1.597 0.353) 2.914 6.196 ( -2.412 1.597 0.353) 2.914 6.421 ( -10.050 -4.798 -3.562) 11.692 6.421 ( -10.050 4.798 -3.562) 11.692 6.756 ( -7.411 -6.396 -2.162) 10.025 6.756 ( -7.411 6.396 -2.162) 10.025 7.217 ( -11.593 -5.021 -2.084) 12.804 7.217 ( -11.593 5.021 -2.084) 12.804 7.626 ( 7.306 -11.779 9.548) 16.831 7.626 ( 7.306 11.779 9.548) 16.831 7.885 ( -7.513 -4.270 1.734) 8.814 7.885 ( -7.513 4.270 1.734) 8.814 8.017 ( 12.787 -16.502 2.650) 21.044 8.017 ( 12.787 16.502 2.650) 21.044 8.194 ( -5.507 -16.005 -3.113) 17.209 8.194 ( -5.507 16.005 -3.113) 17.209 8.422 ( -9.496 -12.142 5.044) 16.219 8.422 ( -9.496 12.142 5.044) 16.219 8.998 ( -6.088 -4.543 0.544) 7.616 8.998 ( -6.088 4.543 0.544) 7.616 9.200 ( 1.019 -5.774 7.509) 9.527 9.200 ( 1.019 5.774 7.509) 9.527 9.456 ( -7.950 -5.942 -6.486) 11.857 9.456 ( -7.950 5.942 -6.486) 11.857 9.624 ( -4.282 -5.149 -5.442) 8.629 9.624 ( -4.282 5.149 -5.442) 8.629 9.833 ( -2.120 -1.827 -2.420) 3.700 9.833 ( -2.120 1.827 -2.420) 3.700 10.225 ( 1.968 -2.601 -0.079) 3.263 10.225 ( 1.968 2.601 -0.079) 3.263 10.381 ( 0.414 -7.458 9.121) 11.790 10.381 ( 0.414 7.458 9.121) 11.790 10.479 ( -3.152 -3.303 4.845) 6.657 10.479 ( -3.152 3.303 4.845) 6.657 10.700 ( -1.567 -1.056 2.588) 3.205 10.700 ( -1.567 1.056 2.588) 3.205 10.906 ( -0.251 -3.060 2.171) 3.760 10.906 ( -0.251 3.060 2.171) 3.760 11.089 ( 0.422 -1.708 0.091) 1.762 11.089 ( 0.422 1.708 0.091) 1.762 11.362 ( 3.946 -5.682 -6.635) 9.586 11.362 ( 3.946 5.682 -6.635) 9.586 11.858 ( 4.687 -5.322 2.162) 7.414 11.858 ( 4.687 5.322 2.162) 7.414 12.215 ( 2.195 -1.764 1.608) 3.243 12.215 ( 2.195 1.764 1.608) 3.243 12.402 ( 2.714 -1.102 0.408) 2.957 12.402 ( 2.714 1.102 0.408) 2.957 12.760 ( 2.258 -1.751 -1.331) 3.152 12.760 ( 2.258 1.751 -1.331) 3.152 12.835 ( 1.377 -0.506 -2.612) 2.996 12.835 ( 1.377 0.506 -2.612) 2.996 12.978 ( 0.064 -0.751 0.505) 0.907 12.978 ( 0.064 0.751 0.505) 0.907 13.147 ( -1.050 -4.966 3.358) 6.086 13.147 ( -1.050 4.966 3.358) 6.086 13.421 ( -0.769 -2.262 1.194) 2.670 13.421 ( -0.769 2.262 1.194) 2.670 13.637 ( 2.491 -1.631 -2.618) 3.965 13.637 ( 2.491 1.631 -2.618) 3.965 13.760 ( 1.876 -4.457 -1.331) 5.015 13.760 ( 1.876 4.457 -1.331) 5.015 13.939 ( 0.246 -2.327 -2.103) 3.146 13.939 ( 0.246 2.327 -2.103) 3.146 14.207 ( 2.296 -1.079 -2.589) 3.625 14.207 ( 2.296 1.079 -2.589) 3.625 14.391 ( -1.309 -1.396 -0.902) 2.115 14.391 ( -1.309 1.396 -0.902) 2.115 14.843 ( -0.207 -2.820 -2.418) 3.721 14.843 ( -0.207 2.820 -2.418) 3.721 15.081 ( 0.204 -1.160 0.783) 1.414 15.081 ( 0.204 1.160 0.783) 1.414 15.404 ( -0.395 -4.704 -1.670) 5.007 15.404 ( -0.395 4.704 -1.670) 5.007 15.659 ( 0.542 -0.873 5.855) 5.944 15.659 ( 0.542 0.873 5.855) 5.944 ======================= Grid point 142 (79/117) ======================= q-point: ( 0.45 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.691 ( 14.000 -3.739 -8.806) 16.957 4.691 ( 14.000 3.739 -8.806) 16.957 4.936 ( 8.954 -5.637 -13.695) 17.306 4.936 ( 8.954 5.637 -13.695) 17.306 5.141 ( 3.555 -12.012 0.487) 12.536 5.141 ( 3.555 12.012 0.487) 12.536 5.350 ( 20.413 -13.716 14.207) 28.402 5.350 ( 20.413 13.716 14.207) 28.402 5.505 ( 3.703 -14.991 -1.042) 15.477 5.505 ( 3.703 14.991 -1.042) 15.477 5.606 ( 1.756 -13.937 -1.847) 14.168 5.606 ( 1.756 13.937 -1.847) 14.168 5.968 ( 6.047 -7.634 -6.272) 11.583 5.968 ( 6.047 7.634 -6.272) 11.583 6.051 ( -4.718 -1.499 0.883) 5.029 6.051 ( -4.718 1.499 0.883) 5.029 6.330 ( 1.700 -4.968 -4.962) 7.224 6.330 ( 1.700 4.968 -4.962) 7.224 6.698 ( 1.087 -3.158 3.867) 5.109 6.698 ( 1.087 3.158 3.867) 5.109 7.043 ( -2.742 -2.738 -3.323) 5.105 7.043 ( -2.742 2.738 -3.323) 5.105 7.556 ( -16.537 -5.995 -3.963) 18.031 7.556 ( -16.537 5.995 -3.963) 18.031 7.802 ( 2.074 -12.768 -4.377) 13.656 7.802 ( 2.074 12.768 -4.377) 13.656 7.986 ( -10.282 -12.523 -0.700) 16.218 7.986 ( -10.282 12.523 -0.700) 16.218 8.236 ( -5.382 -9.490 2.852) 11.277 8.236 ( -5.382 9.490 2.852) 11.277 8.275 ( -2.229 -2.732 2.439) 4.287 8.275 ( -2.229 2.732 2.439) 4.287 8.800 ( -9.223 -10.295 3.443) 14.244 8.800 ( -9.223 10.295 3.443) 14.244 9.271 ( 0.575 -3.682 7.318) 8.212 9.271 ( 0.575 3.682 7.318) 8.212 9.417 ( 5.495 -7.661 4.130) 10.293 9.417 ( 5.495 7.661 4.130) 10.293 9.509 ( -4.111 -3.169 -3.750) 6.404 9.509 ( -4.111 3.169 -3.750) 6.404 9.751 ( -5.451 -2.558 -1.649) 6.244 9.751 ( -5.451 2.558 -1.649) 6.244 10.241 ( -0.260 -3.915 -1.472) 4.190 10.241 ( -0.260 3.915 -1.472) 4.190 10.363 ( -4.380 -5.188 8.939) 11.225 10.363 ( -4.380 5.188 8.939) 11.225 10.508 ( 3.246 -1.662 5.573) 6.660 10.508 ( 3.246 1.662 5.573) 6.660 10.698 ( 0.626 -1.662 0.227) 1.791 10.698 ( 0.626 1.662 0.227) 1.791 10.944 ( 2.077 -5.728 3.857) 7.211 10.944 ( 2.077 5.728 3.857) 7.211 11.116 ( 1.605 -1.671 0.290) 2.335 11.116 ( 1.605 1.671 0.290) 2.335 11.414 ( 3.498 -4.214 -6.798) 8.730 11.414 ( 3.498 4.214 -6.798) 8.730 11.961 ( 4.125 -5.865 4.209) 8.315 11.961 ( 4.125 5.865 4.209) 8.315 12.244 ( 0.534 -0.216 0.180) 0.604 12.244 ( 0.534 0.216 0.180) 0.604 12.454 ( 1.931 -0.932 1.497) 2.616 12.454 ( 1.931 0.932 1.497) 2.616 12.736 ( -3.731 -1.322 -0.633) 4.009 12.736 ( -3.731 1.322 -0.633) 4.009 12.819 ( -2.459 -3.377 -4.190) 5.917 12.819 ( -2.459 3.377 -4.190) 5.917 12.993 ( 1.696 -0.871 -0.525) 1.977 12.993 ( 1.696 0.871 -0.525) 1.977 13.162 ( 0.639 -5.661 4.293) 7.133 13.162 ( 0.639 5.661 4.293) 7.133 13.414 ( -0.104 -2.871 1.634) 3.305 13.414 ( -0.104 2.871 1.634) 3.305 13.646 ( -0.251 -2.159 -2.905) 3.628 13.646 ( -0.251 2.159 -2.905) 3.628 13.786 ( 0.953 -2.772 -1.657) 3.368 13.786 ( 0.953 2.772 -1.657) 3.368 13.938 ( 0.812 -1.207 -1.809) 2.321 13.938 ( 0.812 1.207 -1.809) 2.321 14.220 ( 0.282 -0.905 -3.724) 3.843 14.220 ( 0.282 0.905 -3.724) 3.843 14.372 ( -0.265 -0.646 -0.606) 0.925 14.372 ( -0.265 0.646 -0.606) 0.925 14.832 ( 0.243 -2.372 -2.948) 3.791 14.832 ( 0.243 2.372 -2.948) 3.791 15.107 ( 1.786 -0.862 1.528) 2.503 15.107 ( 1.786 0.862 1.528) 2.503 15.383 ( -1.159 -4.324 -1.466) 4.711 15.383 ( -1.159 4.324 -1.466) 4.711 15.698 ( 1.077 -0.447 4.900) 5.037 15.698 ( 1.077 0.447 4.900) 5.037 ======================= Grid point 144 (80/117) ======================= q-point: (-0.45 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.621 ( -14.288 -10.002 -10.520) 20.368 4.621 ( -14.288 10.002 -10.520) 20.368 4.933 ( -23.082 -10.552 1.500) 25.424 4.933 ( -23.082 10.552 1.500) 25.424 5.123 ( 8.897 -3.059 -8.804) 12.885 5.123 ( 8.897 3.059 -8.804) 12.885 5.537 ( 5.897 -7.056 5.918) 10.935 5.537 ( 5.897 7.056 5.918) 10.935 5.712 ( 15.495 -2.475 -4.905) 16.440 5.712 ( 15.495 2.475 -4.905) 16.440 5.768 ( 9.375 -3.428 -2.324) 10.249 5.768 ( 9.375 3.428 -2.324) 10.249 6.062 ( 7.016 -6.012 -10.802) 14.214 6.062 ( 7.016 6.012 -10.802) 14.214 6.198 ( 12.852 -7.236 6.259) 16.022 6.198 ( 12.852 7.236 6.259) 16.022 6.392 ( 4.330 -3.751 2.362) 6.196 6.392 ( 4.330 3.751 2.362) 6.196 6.770 ( 4.180 -2.185 -5.924) 7.573 6.770 ( 4.180 2.185 -5.924) 7.573 7.097 ( 3.982 -3.249 2.307) 5.633 7.097 ( 3.982 3.249 2.307) 5.633 7.253 ( -6.152 -6.032 -1.507) 8.746 7.253 ( -6.152 6.032 -1.507) 8.746 7.572 ( -15.434 -16.594 -10.529) 24.989 7.572 ( -15.434 16.594 -10.529) 24.989 7.823 ( -17.312 -10.553 1.819) 20.356 7.823 ( -17.312 10.553 1.819) 20.356 8.067 ( 0.850 -11.131 5.534) 12.460 8.067 ( 0.850 11.131 5.534) 12.460 8.264 ( -2.131 -12.671 6.705) 14.493 8.264 ( -2.131 12.671 6.705) 14.493 8.795 ( 3.925 -4.158 4.012) 6.985 8.795 ( 3.925 4.158 4.012) 6.985 9.255 ( -3.548 -2.834 0.836) 4.617 9.255 ( -3.548 2.834 0.836) 4.617 9.368 ( -5.658 -2.841 1.983) 6.634 9.368 ( -5.658 2.841 1.983) 6.634 9.581 ( -1.994 -7.324 -1.559) 7.749 9.581 ( -1.994 7.324 -1.559) 7.749 9.714 ( 6.819 -4.386 6.789) 10.574 9.714 ( 6.819 4.386 6.789) 10.574 10.191 ( -3.232 -4.656 1.710) 5.920 10.191 ( -3.232 4.656 1.710) 5.920 10.377 ( 2.553 -4.132 2.437) 5.434 10.377 ( 2.553 4.132 2.437) 5.434 10.570 ( 1.217 -0.858 2.308) 2.747 10.570 ( 1.217 0.858 2.308) 2.747 10.733 ( 2.585 -1.884 0.848) 3.309 10.733 ( 2.585 1.884 0.848) 3.309 10.994 ( 0.911 -6.110 4.761) 7.799 10.994 ( 0.911 6.110 4.761) 7.799 11.142 ( 0.837 -1.880 -0.311) 2.081 11.142 ( 0.837 1.880 -0.311) 2.081 11.433 ( 0.955 -2.440 -6.441) 6.954 11.433 ( 0.955 2.440 -6.441) 6.954 12.050 ( 2.717 -4.713 5.318) 7.607 12.050 ( 2.717 4.713 5.318) 7.607 12.232 ( -1.950 -1.781 -1.519) 3.047 12.232 ( -1.950 1.781 -1.519) 3.047 12.481 ( -0.103 -2.215 1.420) 2.633 12.481 ( -0.103 2.215 1.420) 2.633 12.644 ( -4.458 -1.346 -0.037) 4.657 12.644 ( -4.458 1.346 -0.037) 4.657 12.720 ( -5.361 -3.951 -1.841) 6.909 12.720 ( -5.361 3.951 -1.841) 6.909 13.018 ( 0.702 -2.609 -1.133) 2.929 13.018 ( 0.702 2.609 -1.133) 2.929 13.190 ( 0.625 -4.168 2.576) 4.940 13.190 ( 0.625 4.168 2.576) 4.940 13.439 ( 1.582 -2.617 2.747) 4.110 13.439 ( 1.582 2.617 2.747) 4.110 13.611 ( -1.811 -2.256 -2.954) 4.135 13.611 ( -1.811 2.256 -2.954) 4.135 13.777 ( -0.768 -3.433 -2.438) 4.281 13.777 ( -0.768 3.433 -2.438) 4.281 13.961 ( 1.951 -0.150 -1.521) 2.478 13.961 ( 1.951 0.150 -1.521) 2.478 14.194 ( -1.290 -1.519 -3.974) 4.445 14.194 ( -1.290 1.519 -3.974) 4.445 14.370 ( 0.127 -0.587 -0.557) 0.819 14.370 ( 0.127 0.587 -0.557) 0.819 14.832 ( 0.954 -1.160 -2.634) 3.032 14.832 ( 0.954 1.160 -2.634) 3.032 15.154 ( 2.085 -1.227 1.441) 2.816 15.154 ( 2.085 1.227 1.441) 2.816 15.349 ( -1.518 -3.598 -0.954) 4.020 15.349 ( -1.518 3.598 -0.954) 4.020 15.734 ( 0.685 -0.112 3.927) 3.988 15.734 ( 0.685 0.112 3.927) 3.988 ======================= Grid point 146 (81/117) ======================= q-point: (-0.36 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.152 ( -29.781 -9.839 2.650) 31.476 4.152 ( -29.781 9.839 2.650) 31.476 4.349 ( -32.017 -17.754 2.516) 36.696 4.349 ( -32.017 17.754 2.516) 36.696 5.251 ( 7.591 -7.565 -12.230) 16.262 5.251 ( 7.591 7.565 -12.230) 16.262 5.719 ( 6.449 -9.633 -0.341) 11.597 5.719 ( 6.449 9.633 -0.341) 11.597 5.848 ( 5.192 -3.588 -7.797) 10.031 5.848 ( 5.192 3.588 -7.797) 10.031 5.924 ( 4.295 -7.703 -8.787) 12.450 5.924 ( 4.295 7.703 -8.787) 12.450 6.215 ( 11.740 -5.373 -8.930) 15.699 6.215 ( 11.740 5.373 -8.930) 15.699 6.354 ( -4.227 -8.503 4.238) 10.399 6.354 ( -4.227 8.503 4.238) 10.399 6.453 ( 4.843 -4.749 -5.872) 8.971 6.453 ( 4.843 4.749 -5.872) 8.971 6.788 ( -4.683 -3.878 -4.155) 7.365 6.788 ( -4.683 3.878 -4.155) 7.365 7.035 ( -3.050 -3.926 8.046) 9.458 7.035 ( -3.050 3.926 8.046) 9.458 7.168 ( -8.926 -13.283 -9.768) 18.749 7.168 ( -8.926 13.283 -9.768) 18.749 7.477 ( 11.054 -2.395 2.822) 11.658 7.477 ( 11.054 2.395 2.822) 11.658 7.711 ( 9.332 -7.693 13.836) 18.377 7.711 ( 9.332 7.693 13.836) 18.377 8.165 ( 2.899 -5.016 8.656) 10.416 8.165 ( 2.899 5.016 8.656) 10.416 8.267 ( -0.095 -11.401 7.846) 13.840 8.267 ( -0.095 11.401 7.846) 13.840 8.868 ( 0.976 -7.761 2.269) 8.144 8.868 ( 0.976 7.761 2.269) 8.144 9.129 ( -8.130 -6.660 -2.921) 10.908 9.129 ( -8.130 6.660 -2.921) 10.908 9.328 ( 1.161 -6.224 2.482) 6.800 9.328 ( 1.161 6.224 2.482) 6.800 9.522 ( -1.003 -5.186 -2.098) 5.683 9.522 ( -1.003 5.186 -2.098) 5.683 9.838 ( 0.797 -9.602 6.832) 11.812 9.838 ( 0.797 9.602 6.832) 11.812 10.180 ( 2.330 -6.464 -3.210) 7.584 10.180 ( 2.330 6.464 -3.210) 7.584 10.434 ( 1.914 -2.887 -1.452) 3.756 10.434 ( 1.914 2.887 -1.452) 3.756 10.604 ( 2.082 -3.584 2.457) 4.818 10.604 ( 2.082 3.584 2.457) 4.818 10.796 ( 3.353 -1.411 0.604) 3.688 10.796 ( 3.353 1.411 0.604) 3.688 11.018 ( -0.444 -6.102 5.085) 7.955 11.018 ( -0.444 6.102 5.085) 7.955 11.143 ( -0.534 -3.284 -1.345) 3.588 11.143 ( -0.534 3.284 -1.345) 3.588 11.403 ( -1.165 -1.474 -5.570) 5.879 11.403 ( -1.165 1.474 -5.570) 5.879 12.097 ( -2.519 -1.454 4.564) 5.412 12.097 ( -2.519 1.454 4.564) 5.412 12.147 ( -3.425 -2.339 -1.610) 4.449 12.147 ( -3.425 2.339 -1.610) 4.449 12.444 ( -3.840 -4.627 -2.606) 6.553 12.444 ( -3.840 4.627 -2.606) 6.553 12.565 ( -3.811 -1.607 0.809) 4.214 12.565 ( -3.811 1.607 0.809) 4.214 12.648 ( -1.243 -2.100 3.831) 4.542 12.648 ( -1.243 2.100 3.831) 4.542 13.008 ( -1.083 -3.557 -1.562) 4.033 13.008 ( -1.083 3.557 -1.562) 4.033 13.205 ( 0.068 -2.524 1.494) 2.934 13.205 ( 0.068 2.524 1.494) 2.934 13.476 ( 0.323 -2.863 2.152) 3.596 13.476 ( 0.323 2.863 2.152) 3.596 13.564 ( -1.507 -1.897 -2.024) 3.157 13.564 ( -1.507 1.897 -2.024) 3.157 13.750 ( -0.758 -3.434 -2.048) 4.070 13.750 ( -0.758 3.434 -2.048) 4.070 13.988 ( 1.271 -1.673 -3.071) 3.721 13.988 ( 1.271 1.673 -3.071) 3.721 14.136 ( -2.946 -2.704 -3.053) 5.031 14.136 ( -2.946 2.704 -3.053) 5.031 14.371 ( 0.178 -0.787 0.199) 0.831 14.371 ( 0.178 0.787 0.199) 0.831 14.848 ( 1.444 -0.455 -1.956) 2.474 14.848 ( 1.444 0.455 -1.956) 2.474 15.193 ( 1.411 -1.551 0.197) 2.106 15.193 ( 1.411 1.551 0.197) 2.106 15.326 ( -0.300 -2.259 0.127) 2.282 15.326 ( -0.300 2.259 0.127) 2.282 15.753 ( -0.271 -0.080 3.270) 3.282 15.753 ( -0.271 0.080 3.270) 3.282 ======================= Grid point 148 (82/117) ======================= q-point: (-0.27 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( -31.932 -5.802 15.385) 35.917 3.547 ( -31.932 5.802 15.385) 35.917 3.727 ( -31.580 -17.886 4.441) 36.564 3.727 ( -31.580 17.886 4.441) 36.564 5.322 ( 3.152 -8.291 -9.441) 12.954 5.322 ( 3.152 8.291 -9.441) 12.954 5.708 ( -2.782 -5.395 -9.812) 11.538 5.708 ( -2.782 5.395 -9.812) 11.538 5.832 ( -13.116 -13.307 -6.043) 19.637 5.832 ( -13.116 13.307 -6.043) 19.637 5.881 ( -9.155 -15.628 6.883) 19.376 5.881 ( -9.155 15.628 6.883) 19.376 6.039 ( -10.674 -12.661 -2.898) 16.812 6.039 ( -10.674 12.661 -2.898) 16.812 6.415 ( 9.376 -2.602 -4.468) 10.707 6.415 ( 9.376 2.602 -4.468) 10.707 6.636 ( -0.205 -4.047 -10.158) 10.937 6.636 ( -0.205 4.047 -10.158) 10.937 6.658 ( 6.132 -13.983 -13.261) 20.223 6.658 ( 6.132 13.983 -13.261) 20.223 6.881 ( 7.784 -6.002 -7.948) 12.641 6.881 ( 7.784 6.002 -7.948) 12.641 7.417 ( 15.246 -7.090 17.146) 24.014 7.417 ( 15.246 7.090 17.146) 24.014 7.727 ( 11.299 -2.351 0.487) 11.551 7.727 ( 11.299 2.351 0.487) 11.551 8.018 ( 10.791 -7.447 11.109) 17.185 8.018 ( 10.791 7.447 11.109) 17.185 8.211 ( -0.419 -10.499 8.743) 13.669 8.211 ( -0.419 10.499 8.743) 13.669 8.340 ( 2.596 -13.843 11.437) 18.143 8.340 ( 2.596 13.843 11.437) 18.143 8.845 ( -4.926 -6.316 2.282) 8.329 8.845 ( -4.926 6.316 2.282) 8.329 8.961 ( -6.210 -4.953 -1.924) 8.173 8.961 ( -6.210 4.953 -1.924) 8.173 9.397 ( 4.625 -8.671 -1.340) 9.918 9.397 ( 4.625 8.671 -1.340) 9.918 9.532 ( 2.761 -4.963 -1.209) 5.807 9.532 ( 2.761 4.963 -1.209) 5.807 9.859 ( 0.872 -9.136 3.085) 9.682 9.859 ( 0.872 9.136 3.085) 9.682 10.207 ( 1.193 -8.475 -5.462) 10.153 10.207 ( 1.193 8.475 -5.462) 10.153 10.438 ( 0.317 -1.845 -3.507) 3.975 10.438 ( 0.317 1.845 -3.507) 3.975 10.666 ( 2.311 -3.724 2.536) 5.063 10.666 ( 2.311 3.724 2.536) 5.063 10.868 ( 3.504 -5.029 0.219) 6.133 10.868 ( 3.504 5.029 0.219) 6.133 11.015 ( -2.029 -5.402 3.083) 6.542 11.015 ( -2.029 5.402 3.083) 6.542 11.119 ( -0.360 -3.852 -1.158) 4.038 11.119 ( -0.360 3.852 -1.158) 4.038 11.361 ( -0.488 -0.731 -5.403) 5.474 11.361 ( -0.488 0.731 -5.403) 5.474 11.941 ( -9.489 -1.321 -0.581) 9.598 11.941 ( -9.489 1.321 -0.581) 9.598 12.149 ( -0.776 -1.059 3.712) 3.937 12.149 ( -0.776 1.059 3.712) 3.937 12.330 ( -4.928 -3.679 -4.337) 7.525 12.330 ( -4.928 3.679 -4.337) 7.525 12.504 ( -2.928 -2.098 0.166) 3.605 12.504 ( -2.928 2.098 0.166) 3.605 12.671 ( 0.605 -1.643 6.510) 6.741 12.671 ( 0.605 1.643 6.510) 6.741 12.968 ( -2.120 -4.445 -1.740) 5.223 12.968 ( -2.120 4.445 -1.740) 5.223 13.204 ( -0.873 -1.354 1.279) 2.056 13.204 ( -0.873 1.354 1.279) 2.056 13.457 ( -2.114 -1.977 -0.571) 2.950 13.457 ( -2.114 1.977 -0.571) 2.950 13.537 ( -1.279 -1.776 -0.374) 2.221 13.537 ( -1.279 1.776 -0.374) 2.221 13.736 ( -0.145 -2.343 -0.851) 2.497 13.736 ( -0.145 2.343 -0.851) 2.497 13.970 ( -1.178 -3.362 -7.781) 8.557 13.970 ( -1.178 3.362 -7.781) 8.557 14.070 ( -2.826 -4.709 2.095) 5.878 14.070 ( -2.826 4.709 2.095) 5.878 14.383 ( 0.841 -1.627 0.840) 2.015 14.383 ( 0.841 1.627 0.840) 2.015 14.868 ( 1.023 -1.562 -0.967) 2.103 14.868 ( 1.023 1.562 -0.967) 2.103 15.215 ( 1.257 -1.122 -1.310) 2.134 15.215 ( 1.257 1.122 -1.310) 2.134 15.339 ( 1.119 -0.674 1.340) 1.871 15.339 ( 1.119 0.674 1.340) 1.871 15.751 ( -1.082 -0.346 2.900) 3.115 15.751 ( -1.082 0.346 2.900) 3.115 ======================= Grid point 150 (83/117) ======================= q-point: (-0.18 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( -26.086 -14.288 17.248) 34.382 3.056 ( -26.086 14.288 17.248) 34.382 3.194 ( -22.595 -18.165 21.857) 36.308 3.194 ( -22.595 18.165 21.857) 36.308 5.158 ( -30.511 -29.363 26.126) 49.756 5.158 ( -30.511 29.363 26.126) 49.756 5.376 ( -9.903 -13.387 -0.765) 16.669 5.376 ( -9.903 13.387 -0.765) 16.669 5.658 ( 0.022 -2.637 -11.112) 11.421 5.658 ( 0.022 2.637 -11.112) 11.421 5.769 ( -2.623 -11.710 -14.101) 18.517 5.769 ( -2.623 11.710 -14.101) 18.517 5.964 ( 0.810 -10.459 -12.445) 16.277 5.964 ( 0.810 10.459 -12.445) 16.277 6.280 ( -9.547 -8.275 -19.045) 22.855 6.280 ( -9.547 8.275 -19.045) 22.855 6.714 ( 9.920 -4.332 1.954) 10.999 6.714 ( 9.920 4.332 1.954) 10.999 6.922 ( 18.262 -10.148 -13.261) 24.746 6.922 ( 18.262 10.148 -13.261) 24.746 7.126 ( 13.423 -7.958 -0.426) 15.611 7.126 ( 13.423 7.958 -0.426) 15.611 7.722 ( 8.254 -3.602 9.388) 13.010 7.722 ( 8.254 3.602 9.388) 13.010 7.878 ( 1.803 -3.509 4.580) 6.045 7.878 ( 1.803 3.509 4.580) 6.045 8.140 ( 0.733 -4.437 7.202) 8.490 8.140 ( 0.733 4.437 7.202) 8.490 8.310 ( 7.749 -10.048 -1.014) 12.729 8.310 ( 7.749 10.048 -1.014) 12.729 8.429 ( 0.781 -13.618 13.990) 19.539 8.429 ( 0.781 13.618 13.990) 19.539 8.712 ( -6.043 -6.129 -0.424) 8.617 8.712 ( -6.043 6.129 -0.424) 8.617 8.851 ( -6.054 -7.969 -1.309) 10.093 8.851 ( -6.054 7.969 -1.309) 10.093 9.457 ( 2.021 -8.255 -3.753) 9.290 9.457 ( 2.021 8.255 -3.753) 9.290 9.657 ( 8.697 -3.633 1.733) 9.583 9.657 ( 8.697 3.633 1.733) 9.583 9.900 ( 1.481 -4.757 2.676) 5.655 9.900 ( 1.481 4.757 2.676) 5.655 10.194 ( 0.674 -5.980 -3.597) 7.011 10.194 ( 0.674 5.980 -3.597) 7.011 10.437 ( 0.990 -2.979 -4.531) 5.513 10.437 ( 0.990 2.979 -4.531) 5.513 10.688 ( -1.516 -2.602 2.688) 4.037 10.688 ( -1.516 2.602 2.688) 4.037 10.908 ( -1.007 -9.728 -0.657) 9.802 10.908 ( -1.007 9.728 -0.657) 9.802 10.990 ( 1.300 -2.342 0.101) 2.680 10.990 ( 1.300 2.342 0.101) 2.680 11.134 ( 1.582 -3.475 0.593) 3.864 11.134 ( 1.582 3.475 0.593) 3.864 11.344 ( 1.202 -0.592 -6.457) 6.595 11.344 ( 1.202 0.592 -6.457) 6.595 11.771 ( -6.764 -1.926 0.280) 7.039 11.771 ( -6.764 1.926 0.280) 7.039 12.106 ( -4.700 -3.651 3.446) 6.877 12.106 ( -4.700 3.651 3.446) 6.877 12.249 ( -1.541 -0.443 -4.544) 4.818 12.249 ( -1.541 0.443 -4.544) 4.818 12.446 ( -2.276 -2.325 -1.474) 3.572 12.446 ( -2.276 2.325 -1.474) 3.572 12.708 ( 0.240 -1.174 7.048) 7.149 12.708 ( 0.240 1.174 7.048) 7.149 12.914 ( -2.449 -4.546 -1.415) 5.354 12.914 ( -2.449 4.546 -1.415) 5.354 13.180 ( -1.890 -0.508 1.209) 2.301 13.180 ( -1.890 0.508 1.209) 2.301 13.404 ( -2.462 -0.970 -1.458) 3.022 13.404 ( -2.462 0.970 -1.458) 3.022 13.501 ( -1.826 -1.754 -1.190) 2.798 13.501 ( -1.826 1.754 -1.190) 2.798 13.729 ( -0.756 -1.947 0.522) 2.153 13.729 ( -0.756 1.947 0.522) 2.153 13.899 ( -1.862 -4.532 -8.265) 9.608 13.899 ( -1.862 4.532 -8.265) 9.608 14.044 ( -1.349 -6.997 3.901) 8.124 14.044 ( -1.349 6.997 3.901) 8.124 14.412 ( 1.504 -2.293 1.222) 3.002 14.412 ( 1.504 2.293 1.222) 3.002 14.877 ( 0.075 -1.716 0.318) 1.747 14.877 ( 0.075 1.716 0.318) 1.747 15.234 ( 1.193 -1.009 -2.248) 2.737 15.234 ( 1.193 1.009 -2.248) 2.737 15.375 ( 1.650 -0.741 2.336) 2.954 15.375 ( 1.650 0.741 2.336) 2.954 15.736 ( -1.547 -0.775 2.571) 3.099 15.736 ( -1.547 0.775 2.571) 3.099 ======================= Grid point 152 (84/117) ======================= q-point: (-0.09 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -20.256 -30.339 22.644) 42.936 2.644 ( -20.256 30.339 22.644) 42.936 3.068 ( -5.426 -35.398 36.377) 51.047 3.068 ( -5.426 35.398 36.377) 51.047 4.670 ( -26.982 -46.694 47.682) 71.985 4.670 ( -26.982 46.694 47.682) 71.985 5.257 ( -1.147 -0.827 -16.594) 16.654 5.257 ( -1.147 0.827 -16.594) 16.654 5.605 ( -4.768 -12.621 -15.871) 20.830 5.605 ( -4.768 12.621 -15.871) 20.830 5.632 ( -1.965 -10.501 -10.977) 15.317 5.632 ( -1.965 10.501 -10.977) 15.317 5.927 ( -0.190 -9.772 -11.973) 15.455 5.927 ( -0.190 9.772 -11.973) 15.455 6.093 ( -2.406 -10.131 -12.194) 16.035 6.093 ( -2.406 10.131 -12.194) 16.035 6.900 ( 7.705 -2.312 2.829) 8.527 6.900 ( 7.705 2.312 2.829) 8.527 7.181 ( 11.155 -4.291 -12.901) 17.587 7.181 ( 11.155 4.291 -12.901) 17.587 7.370 ( 9.693 -13.535 2.644) 16.856 7.370 ( 9.693 13.535 2.644) 16.856 7.757 ( -6.019 -4.572 2.618) 7.999 7.757 ( -6.019 4.572 2.618) 7.999 7.891 ( 2.889 -3.051 -8.119) 9.142 7.891 ( 2.889 3.051 -8.119) 9.142 8.181 ( -2.352 -11.493 7.868) 14.126 8.181 ( -2.352 11.493 7.868) 14.126 8.380 ( -2.668 -9.606 8.428) 13.055 8.380 ( -2.668 9.606 8.428) 13.055 8.519 ( 4.522 -3.585 4.656) 7.415 8.519 ( 4.522 3.585 4.656) 7.415 8.634 ( -0.389 -3.675 -6.664) 7.620 8.634 ( -0.389 3.675 -6.664) 7.620 8.794 ( 2.962 -7.069 5.003) 9.153 8.794 ( 2.962 7.069 5.003) 9.153 9.444 ( -1.120 -6.746 -6.095) 9.161 9.444 ( -1.120 6.746 -6.095) 9.161 9.762 ( 0.002 -3.202 -1.316) 3.462 9.762 ( 0.002 3.202 -1.316) 3.462 9.960 ( 3.507 -2.402 4.138) 5.932 9.960 ( 3.507 2.402 4.138) 5.932 10.226 ( 2.202 -0.376 -0.101) 2.236 10.226 ( 2.202 0.376 -0.101) 2.236 10.422 ( -1.861 -1.668 -0.968) 2.680 10.422 ( -1.861 1.668 -0.968) 2.680 10.644 ( -2.909 -1.697 3.032) 4.531 10.644 ( -2.909 1.697 3.032) 4.531 10.875 ( 0.100 -10.055 -4.360) 10.960 10.875 ( 0.100 10.055 -4.360) 10.960 11.013 ( 0.001 -3.506 0.057) 3.507 11.013 ( 0.001 3.506 0.057) 3.507 11.196 ( 4.596 -6.725 -3.080) 8.709 11.196 ( 4.596 6.725 -3.080) 8.709 11.370 ( 3.561 -0.483 -0.644) 3.651 11.370 ( 3.561 0.483 -0.644) 3.651 11.688 ( -2.035 -1.970 1.630) 3.268 11.688 ( -2.035 1.970 1.630) 3.268 12.022 ( -4.454 -4.109 1.951) 6.366 12.022 ( -4.454 4.109 1.951) 6.366 12.207 ( -0.866 -0.987 -3.657) 3.886 12.207 ( -0.866 0.987 -3.657) 3.886 12.414 ( 0.068 -3.850 -3.256) 5.043 12.414 ( 0.068 3.850 -3.256) 5.043 12.732 ( -0.315 -3.039 4.646) 5.560 12.732 ( -0.315 3.039 4.646) 5.560 12.872 ( -1.252 -3.158 0.126) 3.400 12.872 ( -1.252 3.158 0.126) 3.400 13.148 ( -1.419 -0.632 1.081) 1.893 13.148 ( -1.419 0.632 1.081) 1.893 13.357 ( -1.543 -2.753 -1.503) 3.496 13.357 ( -1.543 2.753 -1.503) 3.496 13.463 ( -1.295 -1.869 -1.979) 3.014 13.463 ( -1.295 1.869 -1.979) 3.014 13.708 ( -1.469 -2.950 0.751) 3.380 13.708 ( -1.469 2.950 0.751) 3.380 13.848 ( -0.056 -4.761 -7.116) 8.562 13.848 ( -0.056 4.761 -7.116) 8.562 14.042 ( -0.535 -7.843 4.112) 8.872 14.042 ( -0.535 7.843 4.112) 8.872 14.444 ( 1.030 -2.515 1.493) 3.100 14.444 ( 1.030 2.515 1.493) 3.100 14.876 ( -0.534 -1.062 1.540) 1.945 14.876 ( -0.534 1.062 1.540) 1.945 15.237 ( 0.048 -1.562 -2.733) 3.148 15.237 ( 0.048 1.562 -2.733) 3.148 15.421 ( 1.681 -1.740 3.348) 4.131 15.421 ( 1.681 1.740 3.348) 4.131 15.710 ( -2.013 -1.088 2.129) 3.126 15.710 ( -2.013 1.088 2.129) 3.126 ======================= Grid point 165 (85/117) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 4.001 0.000 48.996) 49.159 3.483 ( 0.231 0.000 47.176) 47.177 4.108 ( -1.748 0.000 13.888) 13.997 4.225 ( -4.088 0.000 10.576) 11.339 4.372 ( 0.462 0.000 -30.707) 30.710 4.410 ( -1.906 0.000 -41.808) 41.852 4.715 ( -3.262 0.000 -17.842) 18.138 4.720 ( 2.377 0.000 28.692) 28.790 4.925 ( -3.308 0.000 18.329) 18.625 5.072 ( -8.111 0.000 15.795) 17.755 5.085 ( -1.455 0.000 7.853) 7.987 5.778 ( 2.127 0.000 -22.941) 23.039 5.819 ( -0.947 0.000 -10.967) 11.008 6.228 ( -1.255 0.000 -52.236) 52.251 6.485 ( -1.676 0.000 3.891) 4.237 6.502 ( -0.806 0.000 1.060) 1.332 6.775 ( -5.154 0.000 7.010) 8.701 6.814 ( 2.134 0.000 5.689) 6.076 7.056 ( 7.701 0.000 -5.607) 9.526 7.103 ( 4.707 0.000 -6.154) 7.748 7.216 ( -2.597 0.000 15.248) 15.468 7.247 ( -3.823 0.000 15.882) 16.336 7.409 ( 7.623 0.000 -1.752) 7.822 7.552 ( -2.070 0.000 -11.454) 11.639 7.871 ( -2.826 0.000 5.956) 6.592 8.032 ( 3.122 0.000 -8.109) 8.689 8.148 ( -2.510 0.000 6.192) 6.681 8.254 ( 1.341 0.000 -0.299) 1.374 8.366 ( 0.951 0.000 4.425) 4.526 8.462 ( -5.056 0.000 -7.029) 8.659 8.579 ( 5.743 0.000 0.866) 5.808 8.638 ( -3.920 0.000 0.378) 3.939 8.748 ( -2.741 0.000 4.347) 5.139 8.781 ( 6.955 0.000 2.076) 7.258 8.922 ( -2.162 0.000 4.795) 5.260 9.085 ( 3.947 0.000 -8.070) 8.983 9.208 ( 7.393 0.000 1.602) 7.564 9.290 ( -4.060 0.000 -6.895) 8.002 9.621 ( -1.167 0.000 0.336) 1.214 9.655 ( -1.939 0.000 -3.185) 3.729 10.049 ( 6.293 0.000 2.277) 6.693 10.097 ( -11.498 0.000 -0.966) 11.538 10.318 ( 2.748 0.000 3.655) 4.572 10.330 ( -3.294 0.000 0.253) 3.304 10.429 ( 8.233 0.000 -2.098) 8.496 10.436 ( -6.796 0.000 0.693) 6.832 10.578 ( 1.864 0.000 10.178) 10.347 10.587 ( -0.119 0.000 1.574) 1.578 10.681 ( -1.652 0.000 -1.400) 2.165 10.837 ( 0.166 0.000 -6.136) 6.138 10.982 ( -4.827 0.000 1.275) 4.992 11.016 ( 2.521 0.000 -2.139) 3.306 11.094 ( -1.186 0.000 1.011) 1.559 11.218 ( 6.912 0.000 -8.300) 10.801 11.521 ( 3.023 0.000 0.608) 3.084 11.532 ( 0.140 0.000 -1.078) 1.087 11.770 ( 3.351 0.000 5.370) 6.330 11.830 ( -1.912 0.000 0.639) 2.016 11.936 ( 2.079 0.000 2.450) 3.214 11.995 ( -3.026 0.000 -2.834) 4.146 12.101 ( -3.168 0.000 3.313) 4.584 12.207 ( 2.951 0.000 -4.081) 5.036 12.285 ( -3.189 0.000 1.286) 3.439 12.356 ( 4.856 0.000 -6.824) 8.376 12.693 ( 2.883 0.000 1.944) 3.477 12.748 ( -4.059 0.000 -3.003) 5.050 12.957 ( 2.909 0.000 4.938) 5.731 12.999 ( -2.584 0.000 1.071) 2.797 13.149 ( -0.230 0.000 -1.465) 1.483 13.157 ( 0.973 0.000 -2.620) 2.795 13.287 ( 2.360 0.000 3.946) 4.598 13.347 ( -2.480 0.000 -2.115) 3.260 13.387 ( 0.353 0.000 -1.109) 1.164 13.406 ( -0.895 0.000 -1.986) 2.178 13.630 ( -2.032 0.000 3.812) 4.320 13.638 ( 2.497 0.000 2.572) 3.584 13.804 ( -1.655 0.000 -2.066) 2.647 13.839 ( 0.744 0.000 -4.843) 4.900 13.995 ( 1.930 0.000 2.488) 3.149 14.084 ( 0.566 0.000 -5.317) 5.347 14.491 ( -1.161 0.000 3.780) 3.955 14.525 ( 0.682 0.000 0.635) 0.932 14.896 ( -1.763 0.000 1.409) 2.256 14.907 ( 1.243 0.000 0.722) 1.438 15.149 ( -2.246 0.000 0.966) 2.445 15.199 ( 1.658 0.000 -3.408) 3.790 15.481 ( -1.012 0.000 3.870) 4.000 15.535 ( 1.320 0.000 -1.013) 1.663 15.700 ( -0.210 0.000 2.555) 2.564 15.733 ( -1.956 0.000 -0.248) 1.972 ======================= Grid point 166 (86/117) ======================= q-point: ( 0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( 0.056 0.000 47.724) 47.724 3.758 ( 8.013 0.000 35.166) 36.068 4.128 ( -3.526 0.000 -25.605) 25.847 4.184 ( 2.771 0.000 17.103) 17.326 4.277 ( 2.569 0.000 -3.537) 4.372 4.293 ( 5.730 0.000 -35.617) 36.075 4.632 ( 0.382 0.000 -7.365) 7.375 4.847 ( 5.565 0.000 -18.870) 19.673 4.955 ( -6.353 0.000 30.195) 30.856 5.011 ( -4.844 0.000 22.082) 22.607 5.418 ( 22.789 0.000 54.647) 59.208 5.602 ( -11.469 0.000 -17.883) 21.244 5.627 ( -9.014 0.000 -15.240) 17.706 6.080 ( 9.533 0.000 -48.185) 49.119 6.442 ( -4.782 0.000 1.571) 5.033 6.478 ( -0.983 0.000 1.777) 2.031 6.703 ( -5.344 0.000 -3.346) 6.306 6.846 ( -2.077 0.000 2.883) 3.553 7.091 ( -12.123 0.000 6.269) 13.648 7.157 ( -6.369 0.000 9.952) 11.815 7.187 ( 5.511 0.000 -6.227) 8.315 7.272 ( 11.969 0.000 -2.024) 12.139 7.572 ( 5.978 0.000 -6.383) 8.745 7.681 ( 15.279 0.000 3.173) 15.605 7.749 ( -13.787 0.000 3.897) 14.327 7.991 ( -0.840 0.000 -7.008) 7.058 8.131 ( 0.112 0.000 5.242) 5.243 8.248 ( -11.007 0.000 -5.055) 12.112 8.322 ( 3.125 0.000 -0.171) 3.130 8.396 ( -3.781 0.000 4.919) 6.204 8.526 ( -1.307 0.000 1.114) 1.717 8.734 ( 7.367 0.000 1.299) 7.481 8.755 ( -0.743 0.000 -0.771) 1.071 8.920 ( 0.725 0.000 2.895) 2.985 8.943 ( 8.171 0.000 -0.541) 8.189 9.114 ( 3.492 0.000 -9.953) 10.548 9.191 ( -2.457 0.000 -6.477) 6.927 9.387 ( 9.907 0.000 -3.068) 10.372 9.624 ( -1.514 0.000 -0.626) 1.638 9.649 ( 3.902 0.000 3.588) 5.301 9.907 ( -6.520 0.000 0.213) 6.523 10.127 ( -2.577 0.000 7.125) 7.577 10.250 ( -4.041 0.000 -1.713) 4.389 10.315 ( -4.046 0.000 -0.629) 4.095 10.363 ( 0.038 0.000 3.060) 3.061 10.547 ( -1.072 0.000 3.896) 4.041 10.583 ( -1.247 0.000 2.334) 2.647 10.619 ( 3.884 0.000 -0.245) 3.891 10.703 ( 4.692 0.000 0.108) 4.693 10.800 ( -0.919 0.000 -4.294) 4.391 10.903 ( -3.339 0.000 3.789) 5.050 11.028 ( -1.628 0.000 -0.338) 1.663 11.094 ( 1.256 0.000 -1.719) 2.128 11.272 ( 0.456 0.000 -8.754) 8.766 11.495 ( -2.213 0.000 -4.456) 4.975 11.526 ( -2.132 0.000 -2.453) 3.250 11.744 ( -6.255 0.000 -2.157) 6.617 11.856 ( 3.664 0.000 4.590) 5.873 11.940 ( -1.565 0.000 0.501) 1.643 12.017 ( 5.301 0.000 0.487) 5.323 12.086 ( 0.414 0.000 2.618) 2.651 12.252 ( 3.081 0.000 -3.980) 5.033 12.269 ( 1.632 0.000 0.201) 1.644 12.461 ( 7.841 0.000 -5.792) 9.748 12.675 ( -2.011 0.000 -1.883) 2.756 12.776 ( 4.040 0.000 3.335) 5.238 12.966 ( -0.775 0.000 0.308) 0.834 13.053 ( 3.600 0.000 2.612) 4.448 13.164 ( 2.325 0.000 -1.071) 2.560 13.166 ( 0.554 0.000 -2.112) 2.184 13.297 ( -0.408 0.000 -0.883) 0.973 13.371 ( 3.654 0.000 2.483) 4.418 13.397 ( 1.150 0.000 -0.176) 1.163 13.402 ( 0.833 0.000 -1.492) 1.709 13.626 ( 0.579 0.000 4.142) 4.182 13.705 ( 3.119 0.000 1.135) 3.319 13.781 ( -0.067 0.000 -0.543) 0.547 13.860 ( 3.202 0.000 -4.497) 5.521 14.042 ( 2.209 0.000 0.926) 2.396 14.059 ( -0.505 0.000 -6.995) 7.014 14.473 ( -2.002 0.000 3.150) 3.732 14.527 ( -0.653 0.000 0.191) 0.681 14.863 ( -2.096 0.000 1.373) 2.506 14.927 ( 0.498 0.000 0.508) 0.712 15.109 ( -2.324 0.000 1.895) 2.999 15.214 ( 1.082 0.000 -2.580) 2.798 15.442 ( -4.395 0.000 3.127) 5.393 15.525 ( -1.276 0.000 -1.827) 2.229 15.707 ( -0.726 0.000 0.947) 1.193 15.720 ( 0.429 0.000 4.417) 4.438 ======================= Grid point 167 (87/117) ======================= q-point: ( 0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.833 ( 4.443 0.000 -29.294) 29.629 3.870 ( 5.064 0.000 41.289) 41.599 4.285 ( 13.875 0.000 23.308) 27.125 4.329 ( 8.361 0.000 -10.686) 13.568 4.344 ( 9.075 0.000 -2.649) 9.454 4.397 ( 10.240 0.000 1.003) 10.289 4.685 ( 5.539 0.000 9.085) 10.640 4.856 ( -3.171 0.000 4.385) 5.412 4.931 ( -1.909 0.000 9.948) 10.130 4.997 ( -10.126 0.000 27.232) 29.054 5.327 ( -3.320 0.000 -19.706) 19.984 5.447 ( 1.683 0.000 -18.031) 18.110 6.146 ( 9.180 0.000 -29.351) 30.753 6.177 ( 24.076 0.000 32.492) 40.440 6.390 ( 0.320 0.000 -0.340) 0.467 6.457 ( 1.745 0.000 12.196) 12.320 6.574 ( -1.773 0.000 -12.153) 12.282 6.754 ( -6.352 0.000 -0.673) 6.388 6.865 ( -12.536 0.000 5.681) 13.764 7.098 ( -3.051 0.000 10.326) 10.767 7.214 ( -0.853 0.000 -5.740) 5.803 7.393 ( -12.589 0.000 4.148) 13.254 7.423 ( -5.350 0.000 -3.163) 6.215 7.632 ( -2.093 0.000 -5.358) 5.753 7.800 ( -7.212 0.000 -0.183) 7.214 7.972 ( -11.941 0.000 -0.412) 11.948 8.100 ( 12.555 0.000 -1.465) 12.640 8.152 ( 3.237 0.000 -8.933) 9.501 8.309 ( -3.860 0.000 7.861) 8.757 8.429 ( 8.222 0.000 -6.062) 10.215 8.462 ( -12.122 0.000 6.402) 13.709 8.789 ( 7.002 0.000 0.486) 7.019 8.847 ( 2.295 0.000 -4.216) 4.800 8.986 ( 4.242 0.000 -0.624) 4.288 9.052 ( 2.776 0.000 0.432) 2.809 9.168 ( 3.625 0.000 -7.048) 7.925 9.195 ( 8.914 0.000 -6.256) 10.890 9.539 ( 6.222 0.000 -8.082) 10.200 9.563 ( -3.672 0.000 -2.353) 4.361 9.795 ( 7.608 0.000 6.405) 9.945 9.842 ( -0.973 0.000 1.123) 1.486 10.006 ( -9.790 0.000 1.946) 9.981 10.150 ( -2.594 0.000 -5.200) 5.811 10.287 ( -1.609 0.000 5.531) 5.760 10.313 ( -6.627 0.000 0.856) 6.682 10.439 ( -6.084 0.000 1.157) 6.193 10.585 ( -2.196 0.000 0.768) 2.326 10.706 ( 2.220 0.000 1.345) 2.596 10.809 ( 4.563 0.000 4.401) 6.340 10.820 ( 5.617 0.000 -2.850) 6.299 10.895 ( -0.144 0.000 5.998) 6.000 10.964 ( -4.198 0.000 -0.092) 4.199 11.108 ( 0.736 0.000 -0.949) 1.200 11.160 ( -6.677 0.000 -5.988) 8.968 11.391 ( -6.881 0.000 -5.327) 8.702 11.434 ( -5.001 0.000 -4.150) 6.499 11.656 ( -0.108 0.000 1.421) 1.425 11.938 ( 0.688 0.000 2.155) 2.262 11.969 ( 5.857 0.000 4.428) 7.342 12.127 ( 2.919 0.000 0.931) 3.064 12.139 ( 7.037 0.000 -2.997) 7.648 12.296 ( 2.441 0.000 -1.949) 3.123 12.356 ( 6.718 0.000 -0.401) 6.730 12.599 ( 7.705 0.000 -5.224) 9.309 12.661 ( 1.161 0.000 -0.693) 1.353 12.863 ( 2.859 0.000 3.429) 4.464 12.970 ( 0.757 0.000 0.069) 0.760 13.046 ( -3.314 0.000 -2.486) 4.143 13.148 ( -1.440 0.000 -1.530) 2.101 13.245 ( 4.745 0.000 0.990) 4.847 13.357 ( 5.461 0.000 0.281) 5.468 13.381 ( -1.544 0.000 1.208) 1.960 13.427 ( 2.664 0.000 -1.641) 3.129 13.466 ( 3.019 0.000 1.653) 3.442 13.695 ( 4.067 0.000 3.967) 5.681 13.760 ( 2.140 0.000 -1.039) 2.379 13.795 ( 1.113 0.000 1.763) 2.085 13.921 ( 4.687 0.000 -5.512) 7.235 14.012 ( -1.075 0.000 -7.475) 7.552 14.097 ( 3.442 0.000 -0.518) 3.481 14.438 ( -2.406 0.000 1.995) 3.125 14.500 ( -1.993 0.000 -0.225) 2.006 14.826 ( -2.064 0.000 0.847) 2.231 14.929 ( -0.497 0.000 0.192) 0.533 15.076 ( -1.657 0.000 2.386) 2.905 15.217 ( 0.076 0.000 -2.146) 2.147 15.344 ( -6.032 0.000 2.797) 6.649 15.492 ( -1.004 0.000 -1.709) 1.982 15.709 ( 0.222 0.000 2.108) 2.120 15.742 ( -0.178 0.000 5.062) 5.065 ======================= Grid point 168 (88/117) ======================= q-point: ( 0.27 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( 19.822 0.000 -25.187) 32.052 4.171 ( 10.210 0.000 29.364) 31.089 4.479 ( 5.270 0.000 4.864) 7.171 4.526 ( 8.838 0.000 -0.170) 8.840 4.542 ( 15.267 0.000 -14.613) 21.133 4.717 ( 12.034 0.000 17.603) 21.323 4.816 ( -8.903 0.000 12.494) 15.342 4.825 ( -0.320 0.000 20.549) 20.552 4.984 ( 5.681 0.000 -7.672) 9.547 5.005 ( 18.063 0.000 20.767) 27.524 5.347 ( 7.050 0.000 -5.863) 9.170 5.539 ( 11.880 0.000 -12.512) 17.254 6.112 ( -3.650 0.000 -9.592) 10.263 6.219 ( -6.463 0.000 -6.285) 9.015 6.397 ( -2.658 0.000 9.218) 9.594 6.608 ( -7.796 0.000 -2.005) 8.050 6.613 ( -5.551 0.000 -4.067) 6.881 6.686 ( 8.258 0.000 -12.056) 14.614 6.797 ( -0.750 0.000 19.339) 19.353 7.036 ( -13.759 0.000 -6.227) 15.102 7.075 ( -7.736 0.000 -4.094) 8.753 7.338 ( 23.999 0.000 24.443) 34.255 7.363 ( -11.213 0.000 2.952) 11.595 7.434 ( -8.181 0.000 -4.767) 9.469 7.572 ( -10.594 0.000 -4.291) 11.429 7.785 ( -8.405 0.000 6.113) 10.393 8.067 ( -13.963 0.000 -2.935) 14.269 8.221 ( -5.587 0.000 1.780) 5.863 8.300 ( 5.592 0.000 -1.647) 5.829 8.391 ( 6.664 0.000 0.234) 6.668 8.520 ( -1.389 0.000 -9.647) 9.747 8.747 ( -4.136 0.000 -11.402) 12.129 8.900 ( 1.308 0.000 2.494) 2.816 9.089 ( 8.051 0.000 -0.966) 8.108 9.121 ( 1.885 0.000 2.354) 3.015 9.251 ( 5.370 0.000 -11.360) 12.565 9.335 ( 4.896 0.000 -4.704) 6.790 9.439 ( -9.276 0.000 -13.075) 16.031 9.558 ( 2.460 0.000 -5.075) 5.640 9.785 ( -7.281 0.000 -2.140) 7.589 9.862 ( 1.720 0.000 0.679) 1.849 10.009 ( 5.327 0.000 14.409) 15.362 10.119 ( 2.158 0.000 -9.327) 9.573 10.142 ( -7.733 0.000 3.121) 8.339 10.283 ( -0.237 0.000 5.204) 5.210 10.355 ( -3.106 0.000 2.051) 3.722 10.531 ( -2.650 0.000 0.307) 2.668 10.697 ( -2.940 0.000 0.126) 2.943 10.879 ( -3.858 0.000 -0.749) 3.930 10.884 ( -0.202 0.000 2.543) 2.551 10.903 ( -2.262 0.000 8.749) 9.036 10.947 ( 4.793 0.000 4.373) 6.488 11.046 ( -1.584 0.000 -1.819) 2.412 11.132 ( 2.837 0.000 -2.132) 3.549 11.255 ( -4.239 0.000 1.954) 4.668 11.326 ( -3.151 0.000 -5.806) 6.606 11.727 ( 4.869 0.000 4.136) 6.389 11.981 ( 2.638 0.000 2.900) 3.920 12.110 ( 5.982 0.000 4.569) 7.528 12.208 ( 4.934 0.000 0.060) 4.934 12.251 ( 5.011 0.000 -4.984) 7.068 12.338 ( 2.655 0.000 0.515) 2.705 12.507 ( 8.246 0.000 -1.826) 8.446 12.706 ( 4.666 0.000 -5.029) 6.861 12.711 ( 3.837 0.000 -0.364) 3.854 12.883 ( -2.627 0.000 -0.361) 2.651 12.977 ( -0.077 0.000 -2.408) 2.409 12.982 ( -0.713 0.000 0.108) 0.721 13.114 ( -1.371 0.000 0.994) 1.693 13.320 ( 2.096 0.000 0.600) 2.180 13.353 ( -1.777 0.000 3.194) 3.655 13.447 ( 3.765 0.000 -1.482) 4.046 13.504 ( 0.319 0.000 1.982) 2.008 13.517 ( 6.086 0.000 -1.577) 6.287 13.780 ( 2.511 0.000 2.298) 3.404 13.781 ( 0.662 0.000 -2.142) 2.242 13.829 ( 1.478 0.000 1.239) 1.928 13.969 ( -0.361 0.000 -4.943) 4.956 13.990 ( 4.487 0.000 -6.975) 8.293 14.168 ( 3.352 0.000 -0.908) 3.473 14.400 ( -1.775 0.000 0.706) 1.911 14.452 ( -2.534 0.000 -0.297) 2.551 14.790 ( -1.713 0.000 0.220) 1.727 14.907 ( -1.664 0.000 -0.551) 1.753 15.067 ( -0.217 0.000 2.633) 2.642 15.204 ( -0.210 0.000 -2.009) 2.020 15.248 ( -4.333 0.000 3.451) 5.540 15.473 ( -0.285 0.000 -2.208) 2.226 15.728 ( 0.594 0.000 2.755) 2.818 15.755 ( -0.504 0.000 5.259) 5.283 ======================= Grid point 169 (89/117) ======================= q-point: ( 0.36 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.369 ( 26.795 0.000 -14.841) 30.630 4.448 ( 7.205 0.000 12.069) 14.056 4.603 ( 7.819 0.000 8.127) 11.277 4.628 ( 0.669 0.000 0.915) 1.134 4.810 ( 8.096 0.000 6.371) 10.303 4.836 ( 15.531 0.000 -2.290) 15.698 4.991 ( 9.715 0.000 -6.604) 11.747 5.035 ( 11.743 0.000 15.643) 19.560 5.144 ( 13.682 0.000 9.918) 16.898 5.466 ( 10.365 0.000 14.042) 17.453 5.491 ( 13.836 0.000 -5.119) 14.753 5.709 ( 5.041 0.000 -7.950) 9.414 6.033 ( 1.603 0.000 0.282) 1.627 6.127 ( 4.463 0.000 -9.785) 10.755 6.313 ( -8.975 0.000 7.322) 11.583 6.381 ( -14.744 0.000 0.787) 14.765 6.398 ( -11.080 0.000 2.531) 11.365 6.675 ( -11.604 0.000 1.632) 11.719 6.747 ( -4.700 0.000 -3.821) 6.057 6.887 ( -7.892 0.000 -1.067) 7.964 6.946 ( -6.489 0.000 -1.173) 6.594 7.112 ( 5.125 0.000 -8.279) 9.737 7.355 ( -2.131 0.000 1.492) 2.601 7.387 ( -6.780 0.000 -1.359) 6.915 7.669 ( -5.215 0.000 2.299) 5.700 7.706 ( -19.033 0.000 1.315) 19.078 7.992 ( 22.443 0.000 16.246) 27.706 8.192 ( -20.078 0.000 -15.410) 25.310 8.192 ( 0.291 0.000 3.857) 3.868 8.279 ( -5.019 0.000 2.334) 5.535 8.518 ( 6.512 0.000 -5.755) 8.690 8.686 ( -2.183 0.000 -12.732) 12.918 8.905 ( 0.103 0.000 -0.111) 0.151 9.002 ( -19.717 0.000 -8.659) 21.535 9.170 ( 1.257 0.000 -3.893) 4.091 9.208 ( -4.028 0.000 -9.366) 10.195 9.263 ( 8.083 0.000 -2.819) 8.561 9.442 ( 1.389 0.000 3.352) 3.628 9.554 ( -0.978 0.000 -6.418) 6.492 9.704 ( -1.114 0.000 -0.483) 1.214 9.856 ( -1.293 0.000 -2.243) 2.589 10.065 ( -2.179 0.000 1.811) 2.833 10.161 ( 5.643 0.000 8.828) 10.478 10.184 ( 2.766 0.000 6.073) 6.674 10.317 ( -1.806 0.000 3.648) 4.070 10.359 ( 6.995 0.000 -1.127) 7.085 10.504 ( 0.163 0.000 0.161) 0.229 10.616 ( -3.962 0.000 -0.358) 3.978 10.795 ( -4.728 0.000 0.738) 4.786 10.798 ( -6.597 0.000 3.764) 7.595 10.919 ( -1.146 0.000 10.296) 10.359 11.022 ( 0.914 0.000 5.411) 5.488 11.064 ( 2.713 0.000 -2.306) 3.560 11.202 ( 4.660 0.000 -3.634) 5.910 11.240 ( 0.256 0.000 5.422) 5.429 11.275 ( 0.677 0.000 -7.720) 7.750 11.854 ( 5.276 0.000 6.737) 8.557 12.066 ( 4.536 0.000 2.810) 5.336 12.221 ( 3.028 0.000 2.378) 3.850 12.279 ( -0.096 0.000 -2.313) 2.315 12.319 ( 5.933 0.000 0.382) 5.945 12.414 ( 4.089 0.000 0.192) 4.094 12.645 ( 6.096 0.000 -3.448) 7.004 12.715 ( -2.175 0.000 -4.420) 4.926 12.792 ( 3.711 0.000 -2.120) 4.274 12.822 ( -1.495 0.000 -0.728) 1.662 12.947 ( -0.690 0.000 -3.308) 3.379 12.991 ( 0.151 0.000 1.316) 1.325 13.113 ( 0.009 0.000 4.067) 4.067 13.335 ( -0.027 0.000 -2.182) 2.183 13.349 ( -0.062 0.000 4.993) 4.993 13.505 ( 2.488 0.000 -1.680) 3.002 13.507 ( -0.612 0.000 2.320) 2.399 13.611 ( 3.841 0.000 -2.389) 4.523 13.770 ( -0.440 0.000 -3.409) 3.438 13.802 ( -0.957 0.000 1.225) 1.554 13.851 ( 0.492 0.000 -1.044) 1.154 13.975 ( 1.956 0.000 1.039) 2.215 14.034 ( 2.898 0.000 -8.368) 8.856 14.201 ( 0.217 0.000 -1.095) 1.117 14.377 ( -0.819 0.000 -0.184) 0.840 14.407 ( -1.770 0.000 -0.155) 1.776 14.762 ( -1.001 0.000 -0.075) 1.003 14.863 ( -2.084 0.000 -1.679) 2.676 15.088 ( 1.098 0.000 2.755) 2.966 15.201 ( 0.646 0.000 -1.995) 2.097 15.215 ( -0.549 0.000 4.503) 4.536 15.452 ( -0.821 0.000 -3.420) 3.517 15.753 ( 0.755 0.000 2.910) 3.006 15.767 ( -0.324 0.000 4.779) 4.790 ======================= Grid point 170 (90/117) ======================= q-point: ( 0.45 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.604 ( 6.331 0.000 2.989) 7.001 4.643 ( 2.103 0.000 2.771) 3.478 4.755 ( 0.632 0.000 3.767) 3.820 4.782 ( 16.204 0.000 -11.767) 20.025 4.995 ( 3.407 0.000 -0.212) 3.413 5.001 ( 4.327 0.000 0.511) 4.357 5.267 ( 20.433 0.000 -12.955) 24.193 5.339 ( 13.024 0.000 12.882) 18.318 5.539 ( 1.200 0.000 -2.899) 3.137 5.565 ( 19.487 0.000 15.459) 24.874 5.622 ( -3.288 0.000 -0.429) 3.315 5.665 ( -0.533 0.000 -7.696) 7.715 6.063 ( -15.297 0.000 0.525) 15.306 6.146 ( 3.415 0.000 -2.826) 4.433 6.219 ( -3.033 0.000 -12.121) 12.495 6.256 ( -0.466 0.000 -0.609) 0.767 6.430 ( 9.246 0.000 9.374) 13.167 6.467 ( -4.403 0.000 2.321) 4.977 6.543 ( 5.056 0.000 1.143) 5.184 6.734 ( -6.992 0.000 -2.498) 7.425 6.837 ( -5.504 0.000 6.680) 8.655 7.241 ( -9.167 0.000 0.620) 9.188 7.256 ( 2.963 0.000 3.540) 4.616 7.365 ( -7.060 0.000 2.846) 7.612 7.489 ( 8.545 0.000 6.168) 10.538 7.554 ( -6.263 0.000 -8.048) 10.198 7.648 ( -22.745 0.000 -15.029) 27.262 7.963 ( -10.595 0.000 -10.323) 14.793 8.244 ( 2.808 0.000 3.783) 4.711 8.492 ( -10.190 0.000 -0.375) 10.197 8.556 ( -3.687 0.000 -0.808) 3.775 8.604 ( 4.847 0.000 -6.698) 8.267 8.663 ( 4.745 0.000 7.707) 9.051 8.902 ( -2.504 0.000 -1.045) 2.714 9.116 ( 1.196 0.000 -4.097) 4.268 9.204 ( -3.745 0.000 3.372) 5.039 9.316 ( -3.742 0.000 -5.196) 6.403 9.340 ( -0.557 0.000 -1.367) 1.476 9.652 ( 7.062 0.000 5.924) 9.218 9.700 ( 0.239 0.000 1.976) 1.990 9.797 ( -4.228 0.000 -0.187) 4.232 9.987 ( -5.136 0.000 -3.676) 6.316 10.235 ( 1.113 0.000 2.326) 2.579 10.255 ( -0.091 0.000 -0.507) 0.515 10.386 ( 6.957 0.000 8.371) 10.884 10.446 ( -1.000 0.000 2.764) 2.939 10.542 ( 2.573 0.000 2.914) 3.888 10.621 ( 6.530 0.000 -2.819) 7.113 10.681 ( -6.092 0.000 2.448) 6.565 10.698 ( -5.208 0.000 0.520) 5.234 10.935 ( -1.940 0.000 12.260) 12.412 11.041 ( -0.648 0.000 4.120) 4.171 11.111 ( 3.014 0.000 -3.830) 4.874 11.251 ( 2.862 0.000 -13.378) 13.681 11.274 ( 0.795 0.000 3.592) 3.679 11.288 ( 2.402 0.000 -0.701) 2.502 11.987 ( 5.181 0.000 7.638) 9.229 12.168 ( 4.152 0.000 2.362) 4.777 12.220 ( -2.532 0.000 -3.025) 3.945 12.265 ( -0.948 0.000 -0.782) 1.228 12.438 ( 5.430 0.000 0.814) 5.491 12.475 ( 0.827 0.000 1.468) 1.684 12.644 ( -2.319 0.000 -0.858) 2.472 12.698 ( -0.207 0.000 -3.320) 3.326 12.787 ( -2.720 0.000 0.254) 2.732 12.798 ( -0.388 0.000 -4.150) 4.168 12.977 ( 3.793 0.000 -1.457) 4.063 12.984 ( -1.384 0.000 1.410) 1.976 13.138 ( 0.669 0.000 5.263) 5.305 13.309 ( -0.960 0.000 -4.861) 4.954 13.392 ( 1.672 0.000 6.412) 6.627 13.510 ( 0.319 0.000 2.504) 2.524 13.529 ( 0.901 0.000 -2.963) 3.097 13.633 ( -0.942 0.000 -3.651) 3.770 13.757 ( 0.841 0.000 -2.615) 2.747 13.762 ( -3.180 0.000 1.180) 3.391 13.859 ( 1.139 0.000 0.558) 1.268 14.035 ( 0.933 0.000 -9.714) 9.758 14.042 ( 3.380 0.000 3.455) 4.833 14.174 ( -2.118 0.000 -1.888) 2.837 14.362 ( -0.527 0.000 0.108) 0.538 14.380 ( -0.861 0.000 -0.417) 0.956 14.757 ( 0.630 0.000 0.142) 0.646 14.817 ( -1.579 0.000 -2.477) 2.937 15.127 ( 1.537 0.000 2.511) 2.944 15.205 ( 0.317 0.000 -2.419) 2.440 15.250 ( 1.705 0.000 5.122) 5.398 15.412 ( -1.631 0.000 -4.380) 4.673 15.779 ( -0.119 0.000 3.397) 3.399 15.780 ( 0.778 0.000 2.411) 2.534 ======================= Grid point 171 (91/117) ======================= q-point: (-0.45 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( -17.859 0.000 7.349) 19.312 4.646 ( -5.520 0.000 6.124) 8.245 4.734 ( 1.342 0.000 -5.508) 5.669 4.912 ( -5.773 0.000 -3.761) 6.890 4.958 ( 3.797 0.000 -14.731) 15.212 5.076 ( 3.249 0.000 -4.121) 5.248 5.281 ( -12.682 0.000 -5.176) 13.698 5.528 ( -0.192 0.000 -8.671) 8.673 5.553 ( 4.494 0.000 -2.288) 5.043 5.610 ( 3.084 0.000 -8.827) 9.350 5.776 ( -6.008 0.000 -11.802) 13.243 5.820 ( 11.456 0.000 10.590) 15.601 5.951 ( -16.437 0.000 -13.737) 21.421 6.005 ( 7.502 0.000 10.780) 13.133 6.189 ( 15.819 0.000 2.200) 15.971 6.234 ( 7.097 0.000 -6.019) 9.306 6.408 ( -9.776 0.000 -6.747) 11.878 6.532 ( -0.423 0.000 1.819) 1.868 6.672 ( 9.719 0.000 4.026) 10.519 6.848 ( -2.604 0.000 -11.081) 11.383 6.976 ( -1.719 0.000 -6.431) 6.656 7.091 ( 24.721 0.000 22.314) 33.303 7.298 ( 0.836 0.000 4.843) 4.915 7.319 ( -9.996 0.000 -5.085) 11.215 7.394 ( -4.548 0.000 1.491) 4.786 7.421 ( 12.739 0.000 6.111) 14.129 7.675 ( -12.548 0.000 -11.459) 16.993 7.758 ( 11.236 0.000 11.925) 16.385 8.306 ( -0.383 0.000 9.800) 9.808 8.322 ( -1.898 0.000 -2.302) 2.983 8.355 ( -12.312 0.000 13.987) 18.634 8.672 ( 4.283 0.000 -5.143) 6.693 8.769 ( -7.806 0.000 -1.901) 8.034 8.870 ( 2.738 0.000 3.371) 4.343 9.066 ( -3.329 0.000 -0.607) 3.384 9.227 ( 2.157 0.000 0.548) 2.226 9.265 ( 0.643 0.000 -0.139) 0.658 9.332 ( 0.151 0.000 -0.162) 0.221 9.681 ( -5.890 0.000 5.202) 7.859 9.694 ( -4.080 0.000 2.781) 4.938 9.830 ( 5.292 0.000 9.046) 10.480 9.864 ( -2.872 0.000 -7.891) 8.398 10.246 ( 0.504 0.000 0.545) 0.742 10.260 ( 0.893 0.000 -0.328) 0.951 10.410 ( -2.171 0.000 3.234) 3.895 10.531 ( -1.478 0.000 2.506) 2.909 10.556 ( 2.807 0.000 0.420) 2.838 10.594 ( -5.010 0.000 -1.935) 5.371 10.654 ( 3.641 0.000 1.692) 4.015 10.763 ( 7.395 0.000 -2.964) 7.967 10.943 ( -2.102 0.000 12.670) 12.843 11.033 ( -1.521 0.000 2.864) 3.243 11.148 ( 2.261 0.000 -4.434) 4.977 11.229 ( 0.800 0.000 -13.997) 14.020 11.287 ( -0.610 0.000 0.967) 1.143 11.325 ( 1.355 0.000 -1.803) 2.255 12.115 ( 4.482 0.000 6.840) 8.178 12.132 ( -4.251 0.000 -5.511) 6.960 12.215 ( -3.192 0.000 -2.721) 4.195 12.236 ( 1.429 0.000 2.152) 2.583 12.431 ( -5.240 0.000 1.172) 5.370 12.517 ( 1.210 0.000 -1.545) 1.962 12.630 ( -1.208 0.000 2.824) 3.072 12.632 ( -3.048 0.000 -0.032) 3.048 12.730 ( -2.138 0.000 2.338) 3.168 12.787 ( -0.458 0.000 -0.250) 0.522 12.948 ( -2.658 0.000 0.954) 2.824 13.029 ( 1.820 0.000 -2.431) 3.037 13.186 ( 1.917 0.000 5.754) 6.064 13.265 ( -1.090 0.000 -5.939) 6.038 13.438 ( 0.158 0.000 5.369) 5.371 13.524 ( -0.039 0.000 -3.865) 3.865 13.551 ( 1.993 0.000 3.529) 4.053 13.567 ( -2.767 0.000 -4.468) 5.256 13.702 ( -2.756 0.000 1.213) 3.011 13.768 ( -0.020 0.000 1.583) 1.584 13.909 ( 3.267 0.000 0.068) 3.268 13.998 ( -0.468 0.000 -9.943) 9.954 14.106 ( -3.679 0.000 -2.670) 4.546 14.119 ( 2.530 0.000 3.499) 4.318 14.364 ( 0.553 0.000 0.923) 1.076 14.368 ( -0.186 0.000 -0.339) 0.387 14.785 ( -0.499 0.000 -2.488) 2.537 14.789 ( 2.389 0.000 0.252) 2.402 15.160 ( 0.759 0.000 1.782) 1.937 15.189 ( -0.628 0.000 -3.171) 3.233 15.310 ( 2.031 0.000 5.093) 5.484 15.356 ( -1.993 0.000 -4.667) 5.075 15.787 ( -0.234 0.000 1.634) 1.650 15.802 ( 0.628 0.000 1.432) 1.563 ======================= Grid point 172 (92/117) ======================= q-point: (-0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.067 ( -33.181 0.000 11.729) 35.193 4.401 ( -23.579 0.000 19.238) 30.431 4.684 ( -4.299 0.000 -0.960) 4.405 4.771 ( -3.279 0.000 -12.950) 13.359 4.886 ( -4.870 0.000 -6.338) 7.993 5.001 ( -9.986 0.000 -10.286) 14.336 5.084 ( -2.742 0.000 -17.306) 17.522 5.349 ( -1.249 0.000 -9.659) 9.740 5.564 ( -12.578 0.000 -15.504) 19.964 5.568 ( -11.547 0.000 -21.775) 24.647 5.651 ( 0.571 0.000 -4.717) 4.751 5.673 ( 4.891 0.000 -11.519) 12.514 5.945 ( 1.699 0.000 6.396) 6.618 6.119 ( -4.372 0.000 -2.740) 5.160 6.393 ( 9.235 0.000 -0.265) 9.238 6.414 ( 13.647 0.000 -2.628) 13.898 6.578 ( -2.501 0.000 -13.077) 13.314 6.618 ( 17.039 0.000 6.400) 18.202 6.624 ( 12.572 0.000 3.631) 13.086 6.830 ( -23.337 0.000 8.259) 24.755 6.933 ( 11.888 0.000 -1.984) 12.052 7.159 ( 1.408 0.000 -11.619) 11.704 7.329 ( 3.801 0.000 3.095) 4.901 7.381 ( 1.472 0.000 -0.316) 1.505 7.670 ( 12.333 0.000 4.790) 13.230 7.673 ( 9.980 0.000 18.156) 20.718 7.730 ( 19.909 0.000 8.308) 21.573 8.059 ( 11.899 0.000 6.450) 13.535 8.126 ( -13.749 0.000 15.197) 20.493 8.294 ( -2.413 0.000 20.158) 20.302 8.399 ( 5.581 0.000 -0.218) 5.585 8.514 ( -11.968 0.000 -7.554) 14.153 8.824 ( 6.344 0.000 5.632) 8.483 8.895 ( 2.288 0.000 4.221) 4.801 9.056 ( -0.185 0.000 -1.026) 1.042 9.130 ( -3.540 0.000 1.430) 3.818 9.253 ( -7.150 0.000 -0.457) 7.165 9.427 ( 6.132 0.000 2.668) 6.688 9.511 ( -9.330 0.000 0.313) 9.336 9.661 ( -0.895 0.000 4.334) 4.425 9.828 ( 0.210 0.000 -2.208) 2.218 9.913 ( -0.674 0.000 9.302) 9.326 10.247 ( -2.008 0.000 -0.974) 2.232 10.306 ( 5.247 0.000 -1.963) 5.602 10.421 ( 2.588 0.000 -0.586) 2.653 10.439 ( -4.196 0.000 -4.673) 6.281 10.492 ( -3.632 0.000 -2.318) 4.309 10.637 ( 3.548 0.000 -2.822) 4.534 10.746 ( 3.520 0.000 3.677) 5.091 10.872 ( 4.525 0.000 -2.452) 5.146 10.962 ( -0.781 0.000 11.366) 11.393 11.008 ( -1.574 0.000 1.350) 2.074 11.163 ( 1.210 0.000 -5.471) 5.603 11.176 ( -0.840 0.000 -11.706) 11.736 11.261 ( -1.658 0.000 -0.209) 1.671 11.324 ( -0.514 0.000 -2.610) 2.660 12.006 ( -6.091 0.000 -6.997) 9.277 12.128 ( -3.973 0.000 -3.098) 5.038 12.206 ( 1.510 0.000 4.421) 4.672 12.226 ( -3.242 0.000 2.926) 4.367 12.313 ( -6.200 0.000 0.827) 6.255 12.447 ( -4.990 0.000 -3.530) 6.112 12.573 ( -4.973 0.000 3.062) 5.840 12.631 ( -0.157 0.000 3.767) 3.771 12.736 ( 0.133 0.000 2.642) 2.645 12.774 ( -0.742 0.000 3.230) 3.315 12.898 ( -2.148 0.000 1.103) 2.415 13.037 ( 0.135 0.000 -2.290) 2.294 13.223 ( -0.781 0.000 -5.650) 5.704 13.249 ( 1.766 0.000 5.179) 5.472 13.449 ( -0.796 0.000 4.184) 4.259 13.482 ( -1.105 0.000 -6.925) 7.013 13.531 ( -0.569 0.000 0.043) 0.570 13.552 ( -3.590 0.000 1.565) 3.916 13.699 ( 1.692 0.000 2.153) 2.739 13.762 ( -1.730 0.000 3.994) 4.352 13.941 ( -1.679 0.000 -7.578) 7.762 13.964 ( 2.058 0.000 -1.805) 2.738 14.019 ( -3.452 0.000 -3.148) 4.672 14.161 ( 0.224 0.000 2.693) 2.702 14.371 ( 0.576 0.000 0.386) 0.693 14.388 ( 1.266 0.000 1.566) 2.013 14.779 ( 0.782 0.000 -1.756) 1.922 14.847 ( 3.164 0.000 0.025) 3.164 15.162 ( -0.531 0.000 -3.844) 3.880 15.172 ( 0.145 0.000 0.931) 0.942 15.308 ( -0.582 0.000 -4.153) 4.194 15.368 ( 1.745 0.000 4.440) 4.770 15.781 ( -0.748 0.000 0.256) 0.791 15.814 ( 0.195 0.000 0.479) 0.517 ======================= Grid point 173 (93/117) ======================= q-point: (-0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( -32.869 0.000 21.462) 39.255 3.966 ( -27.512 0.000 27.597) 38.967 4.541 ( -10.804 0.000 -1.068) 10.856 4.622 ( -8.486 0.000 -5.025) 9.862 4.795 ( -6.487 0.000 9.612) 11.597 4.813 ( 0.781 0.000 -10.915) 10.943 5.008 ( 2.100 0.000 -15.146) 15.290 5.222 ( -11.140 0.000 -25.058) 27.423 5.285 ( -7.430 0.000 -24.485) 25.587 5.344 ( 2.353 0.000 -19.463) 19.604 5.534 ( -3.338 0.000 -15.061) 15.426 5.656 ( -3.676 0.000 -15.981) 16.399 5.846 ( -21.502 0.000 12.178) 24.711 6.119 ( 10.510 0.000 3.002) 10.930 6.319 ( -9.335 0.000 1.849) 9.516 6.560 ( 6.802 0.000 2.386) 7.208 6.633 ( 2.057 0.000 -4.605) 5.044 6.762 ( 9.350 0.000 -8.564) 12.679 6.922 ( 13.027 0.000 4.027) 13.636 6.952 ( 19.898 0.000 -0.102) 19.898 7.119 ( 8.456 0.000 -6.630) 10.745 7.295 ( 12.506 0.000 3.992) 13.128 7.431 ( 2.830 0.000 0.553) 2.883 7.479 ( 9.629 0.000 4.476) 10.618 7.668 ( -13.293 0.000 4.925) 14.176 7.827 ( -9.978 0.000 22.139) 24.283 7.947 ( -1.898 0.000 -9.115) 9.311 8.090 ( 12.310 0.000 6.629) 13.981 8.121 ( -7.732 0.000 4.489) 8.941 8.335 ( 5.667 0.000 17.774) 18.656 8.505 ( 4.343 0.000 3.417) 5.526 8.509 ( 6.574 0.000 -6.674) 9.368 8.983 ( -1.864 0.000 11.106) 11.261 8.985 ( 5.364 0.000 18.242) 19.014 9.033 ( 2.936 0.000 -7.390) 7.952 9.086 ( -8.662 0.000 -1.272) 8.755 9.113 ( -3.128 0.000 4.673) 5.623 9.355 ( -1.220 0.000 -0.597) 1.358 9.537 ( 3.198 0.000 -1.052) 3.366 9.706 ( 4.350 0.000 6.580) 7.887 9.842 ( 1.060 0.000 1.452) 1.798 9.906 ( -2.931 0.000 7.237) 7.808 10.211 ( 0.705 0.000 -2.933) 3.017 10.329 ( -3.028 0.000 -12.570) 12.930 10.395 ( 4.360 0.000 -5.087) 6.700 10.420 ( -0.769 0.000 -3.020) 3.117 10.511 ( 4.040 0.000 1.184) 4.210 10.684 ( 0.722 0.000 2.794) 2.885 10.802 ( 0.392 0.000 2.814) 2.841 10.917 ( 0.646 0.000 -0.740) 0.983 10.991 ( 0.118 0.000 3.274) 3.276 11.004 ( 1.294 0.000 0.667) 1.456 11.105 ( -2.033 0.000 -8.670) 8.905 11.138 ( -1.204 0.000 -5.365) 5.498 11.264 ( 2.538 0.000 1.652) 3.029 11.298 ( -0.661 0.000 -1.353) 1.506 11.838 ( -7.611 0.000 -5.654) 9.481 12.042 ( -3.476 0.000 -2.564) 4.319 12.112 ( -8.189 0.000 4.780) 9.482 12.214 ( -3.455 0.000 -0.782) 3.543 12.226 ( -1.350 0.000 -1.101) 1.742 12.333 ( -5.066 0.000 -0.768) 5.124 12.475 ( -5.474 0.000 1.019) 5.568 12.601 ( -4.526 0.000 4.737) 6.551 12.717 ( -2.094 0.000 -0.928) 2.290 12.813 ( 2.728 0.000 5.416) 6.064 12.892 ( 0.047 0.000 4.274) 4.274 13.020 ( -0.947 0.000 -2.343) 2.527 13.191 ( -0.205 0.000 -4.989) 4.993 13.287 ( 0.180 0.000 3.939) 3.943 13.437 ( -3.749 0.000 4.454) 5.822 13.450 ( 0.288 0.000 -5.370) 5.378 13.452 ( -4.435 0.000 -2.035) 4.880 13.517 ( -1.357 0.000 0.932) 1.646 13.730 ( -3.324 0.000 4.385) 5.502 13.734 ( 0.171 0.000 1.823) 1.831 13.880 ( -1.871 0.000 -1.882) 2.654 13.956 ( -1.261 0.000 -4.602) 4.771 13.968 ( -0.619 0.000 -2.946) 3.010 14.145 ( -2.353 0.000 0.963) 2.542 14.399 ( 1.931 0.000 0.910) 2.135 14.424 ( 1.480 0.000 2.387) 2.809 14.800 ( 1.653 0.000 -0.790) 1.832 14.904 ( 2.262 0.000 -0.096) 2.264 15.144 ( 0.534 0.000 -4.233) 4.266 15.182 ( 0.641 0.000 0.421) 0.767 15.314 ( 2.705 0.000 -2.694) 3.817 15.411 ( 0.898 0.000 3.600) 3.711 15.761 ( -1.172 0.000 -0.375) 1.230 15.814 ( -0.294 0.000 -0.110) 0.313 ======================= Grid point 174 (94/117) ======================= q-point: (-0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -16.124 0.000 37.738) 41.038 3.589 ( -22.362 0.000 37.256) 43.452 4.307 ( -10.976 0.000 1.570) 11.087 4.433 ( -8.955 0.000 1.447) 9.071 4.746 ( -0.718 0.000 -26.248) 26.258 4.751 ( -7.079 0.000 10.515) 12.676 4.948 ( -4.413 0.000 -21.348) 21.799 5.039 ( -0.199 0.000 -12.737) 12.738 5.082 ( -1.503 0.000 -5.831) 6.021 5.170 ( -20.424 0.000 9.407) 22.487 5.361 ( -16.318 0.000 12.382) 20.484 5.513 ( 10.851 0.000 -28.084) 30.107 5.655 ( 7.507 0.000 -32.478) 33.334 6.304 ( 6.358 0.000 1.140) 6.459 6.341 ( 5.215 0.000 1.381) 5.395 6.624 ( 3.900 0.000 -7.183) 8.174 6.695 ( 5.985 0.000 3.071) 6.727 6.920 ( 7.591 0.000 0.411) 7.602 7.083 ( -0.721 0.000 4.409) 4.468 7.209 ( -6.701 0.000 -30.958) 31.675 7.267 ( -6.524 0.000 -1.933) 6.805 7.303 ( -4.211 0.000 10.501) 11.314 7.430 ( 13.378 0.000 1.371) 13.448 7.501 ( 0.248 0.000 4.645) 4.652 7.638 ( -3.524 0.000 11.323) 11.859 7.865 ( 11.571 0.000 13.730) 17.955 7.877 ( 2.002 0.000 -1.524) 2.516 8.052 ( 1.972 0.000 7.951) 8.192 8.377 ( 10.766 0.000 3.287) 11.256 8.422 ( -4.344 0.000 -3.201) 5.396 8.584 ( 1.907 0.000 17.425) 17.529 8.611 ( 6.963 0.000 -10.026) 12.207 8.839 ( -11.784 0.000 1.994) 11.951 8.961 ( -2.312 0.000 -1.096) 2.559 8.965 ( -10.497 0.000 12.825) 16.573 9.086 ( -1.872 0.000 0.975) 2.110 9.095 ( 2.070 0.000 -1.809) 2.749 9.419 ( 2.289 0.000 0.426) 2.328 9.599 ( 4.119 0.000 -2.657) 4.902 9.853 ( -4.375 0.000 2.339) 4.961 9.869 ( 1.604 0.000 0.057) 1.605 9.903 ( 11.096 0.000 7.803) 13.565 10.247 ( 0.891 0.000 -11.766) 11.799 10.277 ( 5.065 0.000 1.620) 5.318 10.435 ( 2.909 0.000 1.420) 3.237 10.439 ( 2.329 0.000 -7.018) 7.394 10.581 ( 2.073 0.000 0.502) 2.133 10.668 ( -5.651 0.000 7.403) 9.314 10.741 ( -5.559 0.000 -1.023) 5.652 10.904 ( -1.259 0.000 -2.266) 2.592 11.023 ( 4.218 0.000 -3.487) 5.472 11.030 ( -2.246 0.000 -5.405) 5.853 11.057 ( 2.834 0.000 1.810) 3.362 11.103 ( -1.226 0.000 -1.411) 1.869 11.315 ( 2.693 0.000 2.196) 3.475 11.365 ( 5.907 0.000 2.875) 6.570 11.696 ( -4.007 0.000 -2.215) 4.578 11.964 ( -7.947 0.000 4.963) 9.370 11.968 ( -3.247 0.000 -0.519) 3.288 12.153 ( -3.649 0.000 -5.207) 6.359 12.172 ( -0.167 0.000 -3.054) 3.058 12.248 ( -4.398 0.000 3.016) 5.333 12.377 ( -3.661 0.000 -2.245) 4.295 12.503 ( -6.829 0.000 4.126) 7.979 12.671 ( -1.526 0.000 -1.854) 2.402 12.893 ( 1.770 0.000 3.657) 4.063 12.908 ( -0.648 0.000 5.226) 5.266 12.983 ( -1.227 0.000 0.083) 1.230 13.177 ( 0.500 0.000 -3.725) 3.758 13.288 ( -2.100 0.000 -1.476) 2.566 13.301 ( -6.260 0.000 3.034) 6.957 13.413 ( -1.736 0.000 0.181) 1.745 13.436 ( -0.678 0.000 -2.795) 2.877 13.485 ( -1.410 0.000 -0.497) 1.495 13.664 ( -4.718 0.000 3.766) 6.037 13.712 ( -2.791 0.000 2.350) 3.649 13.867 ( 0.280 0.000 0.426) 0.510 13.923 ( -2.405 0.000 -2.964) 3.817 13.928 ( 0.246 0.000 -3.871) 3.879 14.100 ( -1.355 0.000 -1.355) 1.916 14.448 ( 2.438 0.000 1.049) 2.654 14.462 ( 1.080 0.000 3.308) 3.480 14.835 ( 1.945 0.000 -0.014) 1.945 14.929 ( 0.256 0.000 0.237) 0.348 15.151 ( 1.860 0.000 -4.297) 4.682 15.195 ( 0.226 0.000 0.178) 0.288 15.385 ( 4.802 0.000 -1.032) 4.912 15.437 ( 0.565 0.000 3.368) 3.415 15.735 ( -1.268 0.000 -0.333) 1.311 15.801 ( -0.872 0.000 -0.393) 0.957 ======================= Grid point 175 (95/117) ======================= q-point: (-0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 3.265 0.000 48.786) 48.895 3.409 ( -11.920 0.000 45.364) 46.904 4.148 ( -6.653 0.000 7.691) 10.169 4.294 ( -6.647 0.000 7.075) 9.707 4.539 ( -8.809 0.000 -15.130) 17.508 4.593 ( -1.660 0.000 -34.258) 34.298 4.773 ( -15.177 0.000 18.772) 24.140 4.874 ( -3.828 0.000 -23.454) 23.764 4.941 ( -6.934 0.000 26.296) 27.195 5.126 ( -1.599 0.000 10.769) 10.887 5.168 ( -4.651 0.000 -11.958) 12.831 5.697 ( 15.196 0.000 -25.000) 29.256 5.751 ( 11.026 0.000 -20.753) 23.500 6.361 ( 1.348 0.000 -11.972) 12.048 6.451 ( 4.834 0.000 0.669) 4.881 6.664 ( -11.029 0.000 -26.506) 28.709 6.736 ( 6.727 0.000 -2.643) 7.228 6.868 ( -0.614 0.000 -4.944) 4.982 7.018 ( -3.348 0.000 11.279) 11.765 7.063 ( -3.286 0.000 5.573) 6.469 7.166 ( -1.182 0.000 7.430) 7.523 7.228 ( -4.944 0.000 6.258) 7.975 7.425 ( -4.626 0.000 5.426) 7.130 7.611 ( 0.344 0.000 0.161) 0.380 7.829 ( 17.505 0.000 -3.062) 17.771 7.922 ( -2.085 0.000 1.238) 2.425 8.134 ( 1.204 0.000 5.727) 5.853 8.176 ( 11.813 0.000 3.303) 12.266 8.337 ( -0.207 0.000 -0.314) 0.376 8.475 ( -0.189 0.000 -8.863) 8.865 8.624 ( -4.699 0.000 4.594) 6.572 8.647 ( -0.999 0.000 11.092) 11.137 8.695 ( 0.880 0.000 -4.484) 4.569 8.828 ( -7.484 0.000 12.402) 14.485 8.993 ( 6.183 0.000 -4.112) 7.426 9.002 ( -5.234 0.000 -3.555) 6.327 9.119 ( 1.437 0.000 1.740) 2.256 9.387 ( -3.269 0.000 -3.789) 5.004 9.645 ( 0.334 0.000 -1.525) 1.561 9.745 ( -4.956 0.000 -4.888) 6.961 9.926 ( 4.968 0.000 -1.446) 5.174 10.150 ( 8.367 0.000 7.877) 11.492 10.289 ( 6.444 0.000 -5.987) 8.796 10.353 ( 0.805 0.000 2.313) 2.449 10.376 ( -8.117 0.000 -8.208) 11.543 10.512 ( 0.771 0.000 5.373) 5.428 10.538 ( -3.829 0.000 9.185) 9.951 10.585 ( -1.038 0.000 -0.394) 1.110 10.699 ( -0.558 0.000 1.260) 1.378 10.860 ( -0.629 0.000 -6.704) 6.734 10.990 ( 0.725 0.000 -4.358) 4.418 11.060 ( -2.968 0.000 -0.167) 2.973 11.105 ( -0.103 0.000 4.255) 4.256 11.111 ( 6.073 0.000 -5.391) 8.120 11.416 ( 5.636 0.000 3.549) 6.660 11.486 ( 4.447 0.000 1.305) 4.635 11.686 ( 2.467 0.000 2.987) 3.875 11.863 ( -3.707 0.000 4.095) 5.523 11.921 ( -1.378 0.000 1.742) 2.221 12.068 ( -2.840 0.000 -4.705) 5.496 12.170 ( -4.658 0.000 3.271) 5.692 12.175 ( 1.768 0.000 -3.866) 4.251 12.328 ( 0.538 0.000 -5.759) 5.784 12.378 ( -6.615 0.000 2.860) 7.207 12.655 ( 0.544 0.000 -0.308) 0.626 12.848 ( -4.277 0.000 -3.129) 5.299 12.914 ( -0.361 0.000 5.165) 5.177 13.019 ( 0.881 0.000 4.994) 5.071 13.169 ( -0.361 0.000 -2.358) 2.386 13.173 ( -3.417 0.000 -1.858) 3.889 13.272 ( -1.435 0.000 1.663) 2.197 13.390 ( -0.401 0.000 -0.581) 0.706 13.392 ( -2.194 0.000 -0.816) 2.341 13.456 ( -1.691 0.000 -3.694) 4.063 13.607 ( -1.399 0.000 3.908) 4.151 13.665 ( -2.841 0.000 3.404) 4.434 13.859 ( -0.447 0.000 -4.273) 4.296 13.859 ( -2.643 0.000 -2.751) 3.815 13.947 ( 1.799 0.000 1.816) 2.556 14.086 ( 0.618 0.000 -3.390) 3.446 14.488 ( -0.049 0.000 3.782) 3.782 14.496 ( 1.824 0.000 0.956) 2.060 14.874 ( 1.773 0.000 0.572) 1.863 14.921 ( -1.120 0.000 0.882) 1.426 15.176 ( 2.113 0.000 -4.047) 4.566 15.185 ( -1.341 0.000 0.228) 1.360 15.465 ( 0.635 0.000 3.781) 3.834 15.478 ( 4.289 0.000 -0.165) 4.292 15.710 ( -1.158 0.000 0.429) 1.235 15.774 ( -1.707 0.000 -0.530) 1.788 ======================= Grid point 176 (96/117) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 3.460 -5.055 49.015) 49.397 3.612 ( -1.763 5.457 42.138) 42.526 3.667 ( -1.679 -14.604 34.487) 37.489 4.305 ( -2.581 -3.499 -37.677) 37.927 4.343 ( -1.456 -11.370 -15.193) 19.032 4.487 ( -0.753 -6.185 -21.792) 22.665 4.686 ( -8.208 -2.393 -5.604) 10.223 4.904 ( -1.449 28.436 6.603) 29.229 5.035 ( 1.457 25.509 32.151) 41.067 5.152 ( -1.838 -7.825 -15.078) 17.086 5.253 ( 1.730 18.075 -0.922) 18.181 5.761 ( -2.523 6.449 -1.019) 7.000 5.921 ( 2.121 -1.432 -1.935) 3.208 6.188 ( 0.457 -21.652 12.928) 25.222 6.293 ( -5.374 -18.528 10.438) 21.935 6.404 ( -2.078 12.980 -33.970) 36.425 6.597 ( 3.729 -13.700 -6.229) 15.505 6.818 ( -1.042 -1.723 -8.107) 8.353 6.941 ( -0.678 -9.066 2.475) 9.422 7.068 ( 6.168 -3.911 -5.299) 9.023 7.250 ( 4.015 9.839 2.309) 10.875 7.413 ( 1.044 2.543 1.186) 2.994 7.473 ( -7.121 5.446 -5.372) 10.451 7.527 ( 2.056 -1.942 -5.428) 6.121 7.924 ( -6.733 4.650 1.596) 8.337 7.950 ( 3.214 -4.160 -2.215) 5.704 8.153 ( 1.771 -1.731 4.749) 5.356 8.225 ( -4.857 -3.626 -0.690) 6.101 8.331 ( 6.553 -0.448 6.102) 8.965 8.458 ( -7.952 -2.275 -6.115) 10.287 8.658 ( 5.598 9.117 5.254) 11.919 8.681 ( 0.548 3.330 4.574) 5.684 8.775 ( 2.946 2.470 4.923) 6.247 8.887 ( 0.289 6.251 4.748) 7.855 8.891 ( 0.651 -2.105 0.507) 2.261 9.081 ( 1.767 2.917 -7.941) 8.642 9.164 ( 6.359 -4.579 3.934) 8.768 9.319 ( -2.862 -0.149 -8.465) 8.937 9.640 ( -1.312 2.001 -0.345) 2.418 9.659 ( -1.346 0.957 -2.308) 2.838 10.016 ( 1.841 -3.189 0.711) 3.750 10.037 ( -4.673 -4.927 -1.096) 6.878 10.324 ( -0.377 0.533 3.418) 3.480 10.332 ( 0.897 0.109 3.420) 3.537 10.430 ( 1.147 0.203 -0.521) 1.276 10.439 ( -4.071 0.170 0.244) 4.082 10.585 ( 0.809 2.575 5.814) 6.410 10.655 ( -3.877 1.370 5.010) 6.482 10.681 ( 1.623 3.011 -4.229) 5.439 10.851 ( 2.983 -0.229 -8.440) 8.955 10.975 ( -3.155 -0.372 1.536) 3.529 11.002 ( 0.848 -1.367 -1.501) 2.200 11.090 ( -0.499 0.231 -0.488) 0.735 11.178 ( 5.549 -3.446 -7.442) 9.902 11.514 ( 1.630 1.091 2.973) 3.561 11.561 ( 1.807 1.284 -1.147) 2.496 11.756 ( 2.000 -1.333 3.953) 4.626 11.793 ( -1.693 -3.392 1.218) 3.982 11.941 ( 1.294 0.483 1.892) 2.342 11.983 ( -3.190 -1.267 -1.491) 3.742 12.132 ( -0.495 2.991 2.251) 3.775 12.207 ( 2.183 -0.238 -2.471) 3.306 12.294 ( -1.973 0.911 -0.519) 2.235 12.344 ( 3.608 -1.234 -6.758) 7.760 12.701 ( 1.922 0.739 1.056) 2.314 12.736 ( -2.913 -1.104 -2.234) 3.834 12.942 ( 1.839 -0.966 4.468) 4.927 12.976 ( -1.923 -2.056 1.397) 3.143 13.150 ( 0.825 1.403 1.128) 1.980 13.204 ( 0.787 2.714 -3.097) 4.192 13.272 ( 0.970 -1.198 3.026) 3.396 13.334 ( -2.112 -1.493 -1.929) 3.227 13.400 ( -0.532 0.460 -1.490) 1.648 13.409 ( 0.061 0.705 -0.524) 0.880 13.575 ( -0.632 -0.618 3.219) 3.338 13.705 ( 1.263 1.925 -3.845) 4.481 13.765 ( 1.351 -5.389 -3.101) 6.362 13.785 ( -1.044 -1.731 -1.613) 2.586 14.048 ( 0.308 5.477 5.086) 7.481 14.145 ( 0.720 3.540 -3.676) 5.154 14.470 ( -0.713 -1.362 3.354) 3.690 14.512 ( 0.371 -1.581 -0.280) 1.648 14.902 ( -1.174 0.567 1.496) 1.984 14.911 ( 0.641 0.324 0.871) 1.129 15.151 ( -1.749 0.332 0.202) 1.792 15.188 ( 0.964 -1.085 -2.978) 3.313 15.498 ( -0.502 1.694 3.412) 3.842 15.539 ( 1.151 0.167 -0.141) 1.171 15.695 ( -0.540 -0.296 1.988) 2.082 15.721 ( -1.758 -1.186 -0.113) 2.124 ======================= Grid point 177 (97/117) ======================= q-point: ( 0.09 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( 9.712 -4.512 41.625) 42.980 3.755 ( -1.211 8.939 41.570) 42.537 3.833 ( 5.200 -16.631 34.450) 38.606 4.129 ( 1.016 -1.617 -32.565) 32.621 4.269 ( 3.993 -9.742 -29.505) 31.327 4.383 ( 1.284 8.488 -36.354) 37.354 4.518 ( -10.842 -22.087 31.043) 39.611 4.922 ( 0.096 28.416 9.261) 29.887 5.054 ( -0.538 -17.162 -19.515) 25.993 5.129 ( 2.598 22.500 -11.444) 25.377 5.507 ( 4.551 12.370 22.217) 25.833 5.719 ( 3.918 19.682 27.965) 34.421 5.940 ( -2.282 12.697 -2.956) 13.234 6.040 ( -4.913 -8.818 -7.563) 12.613 6.229 ( -3.021 -19.305 8.618) 21.356 6.401 ( 10.654 8.797 -32.242) 35.078 6.695 ( 2.086 -6.498 3.775) 7.800 6.822 ( -3.344 -7.154 3.680) 8.712 6.918 ( -0.314 -13.317 1.992) 13.469 7.095 ( -5.268 -6.852 -5.030) 10.000 7.225 ( -8.532 2.567 -2.261) 9.192 7.296 ( 9.085 -1.130 -11.913) 15.025 7.475 ( 5.851 -3.762 -1.355) 7.087 7.666 ( -3.502 -5.308 2.194) 6.726 7.777 ( -1.178 5.006 3.787) 6.387 7.969 ( -6.025 1.637 2.061) 6.575 8.005 ( -4.599 -8.201 0.800) 9.437 8.258 ( 0.397 -5.371 4.556) 7.054 8.317 ( -4.388 7.945 -4.679) 10.211 8.521 ( 5.981 1.979 8.647) 10.699 8.668 ( -1.788 11.721 -1.212) 11.918 8.745 ( -1.711 0.608 -1.967) 2.677 8.822 ( 7.304 4.400 0.554) 8.545 8.882 ( -0.309 0.372 -2.277) 2.328 8.974 ( 5.909 3.196 3.544) 7.596 9.129 ( 4.745 2.032 -10.543) 11.739 9.216 ( -1.565 1.191 -8.035) 8.273 9.330 ( 7.620 -6.378 -0.302) 9.942 9.626 ( -0.880 1.135 0.028) 1.437 9.677 ( 3.333 1.713 2.055) 4.273 9.897 ( -4.561 0.407 0.391) 4.596 10.099 ( 0.041 -4.658 4.647) 6.580 10.267 ( -3.838 2.953 0.310) 4.853 10.332 ( -4.303 1.592 -0.643) 4.632 10.388 ( 0.689 1.883 3.545) 4.073 10.463 ( 1.630 -4.588 0.319) 4.879 10.539 ( -7.584 -2.203 4.237) 8.962 10.615 ( 0.563 -4.973 4.177) 6.518 10.759 ( 5.518 6.840 -3.529) 9.470 10.854 ( 0.164 2.314 -3.668) 4.340 10.909 ( -2.717 1.267 3.308) 4.464 11.030 ( 1.195 -0.651 -3.110) 3.394 11.079 ( -0.450 0.017 -0.918) 1.023 11.227 ( 1.227 -4.319 -8.356) 9.486 11.490 ( -3.596 0.355 -1.307) 3.843 11.535 ( -3.690 0.065 -3.875) 5.351 11.724 ( -4.764 -1.381 -0.154) 4.963 11.789 ( 0.391 -4.825 3.062) 5.728 11.965 ( 1.971 1.610 0.980) 2.727 12.007 ( 3.847 -0.599 1.988) 4.371 12.151 ( 1.526 4.799 0.314) 5.046 12.248 ( 3.067 -0.573 -3.214) 4.480 12.291 ( 2.577 2.354 -1.399) 3.760 12.426 ( 6.745 -3.330 -5.616) 9.387 12.693 ( -0.619 1.754 -0.855) 2.047 12.767 ( 3.676 -1.114 2.156) 4.405 12.959 ( -0.015 -0.408 0.725) 0.832 13.011 ( 2.465 -3.269 2.966) 5.055 13.188 ( 1.615 2.321 0.816) 2.943 13.204 ( 1.537 3.344 -4.131) 5.533 13.279 ( -0.379 -1.654 0.333) 1.729 13.366 ( 4.553 -1.553 1.812) 5.140 13.402 ( 1.053 0.562 -0.565) 1.320 13.413 ( 0.708 0.404 0.209) 0.842 13.580 ( 0.054 -0.865 3.504) 3.610 13.736 ( 3.655 -0.055 -5.979) 7.007 13.773 ( 0.692 -2.412 -2.024) 3.224 13.799 ( 2.463 -2.533 -0.590) 3.582 14.067 ( -0.073 4.664 3.101) 5.601 14.143 ( 0.850 4.218 -4.390) 6.147 14.455 ( -2.035 -1.340 2.849) 3.748 14.506 ( -0.781 -2.203 -0.574) 2.406 14.876 ( -1.862 1.267 1.305) 2.603 14.922 ( -0.051 -0.611 0.720) 0.946 15.118 ( -1.879 1.028 1.346) 2.530 15.191 ( 0.272 -2.188 -1.728) 2.801 15.468 ( -3.645 2.435 2.123) 4.870 15.527 ( -1.599 0.003 -1.351) 2.093 15.699 ( -0.393 -0.581 1.801) 1.933 15.711 ( 0.405 -0.821 3.599) 3.713 ======================= Grid point 178 (98/117) ======================= q-point: ( 0.18 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( 7.002 4.179 -19.746) 21.363 3.935 ( 3.632 6.542 36.972) 37.721 4.120 ( 10.790 -9.671 26.883) 30.539 4.254 ( 9.977 -5.224 -2.820) 11.609 4.312 ( 14.121 -3.165 7.383) 16.246 4.354 ( 10.521 -1.276 -26.765) 28.786 4.490 ( -4.355 -20.126 28.017) 34.770 4.912 ( -3.833 -13.012 -15.906) 20.905 4.998 ( 3.704 12.515 -1.891) 13.188 5.149 ( 2.771 22.196 -3.891) 22.704 5.451 ( -7.776 26.962 20.493) 34.747 5.750 ( -5.540 5.438 -10.055) 12.703 5.939 ( 2.845 -5.324 -5.034) 7.860 6.162 ( -0.857 -19.120 8.035) 20.758 6.380 ( 17.348 8.140 18.992) 26.980 6.564 ( 9.253 12.305 -11.472) 19.200 6.629 ( -1.020 -2.867 -10.127) 10.574 6.716 ( -6.610 -5.217 7.425) 11.226 6.838 ( -9.543 -11.120 1.492) 14.729 6.952 ( -6.119 0.809 -2.286) 6.582 7.093 ( -1.481 3.743 0.515) 4.058 7.366 ( -16.742 -4.248 -1.568) 17.344 7.520 ( 14.211 -15.288 -20.057) 28.948 7.636 ( 5.061 5.684 9.086) 11.852 7.796 ( -9.971 0.683 1.420) 10.095 7.884 ( -6.284 -7.251 2.054) 9.813 7.961 ( 8.271 -11.553 7.648) 16.136 8.169 ( -9.069 17.168 -5.149) 20.088 8.256 ( -2.845 -8.135 6.164) 10.596 8.548 ( -7.856 8.132 5.116) 12.410 8.669 ( 3.533 12.948 -1.963) 13.564 8.705 ( -0.259 -5.753 -4.039) 7.035 8.899 ( 2.420 -2.457 -2.108) 4.042 8.979 ( 6.079 1.182 -3.679) 7.203 9.089 ( 5.060 4.821 1.257) 7.102 9.167 ( 5.655 3.374 -8.887) 11.061 9.229 ( 5.904 0.619 -9.870) 11.518 9.460 ( 4.710 -7.713 -1.835) 9.222 9.581 ( -2.711 2.498 -3.843) 5.326 9.760 ( 1.670 -4.486 2.014) 5.193 9.869 ( 1.091 4.081 2.293) 4.807 10.022 ( -8.153 -0.583 1.340) 8.283 10.205 ( -1.456 5.430 -2.762) 6.264 10.256 ( -3.375 0.021 1.638) 3.752 10.375 ( -4.578 0.576 1.001) 4.721 10.423 ( -3.547 2.433 4.597) 6.295 10.490 ( 0.777 -7.762 -1.488) 7.941 10.666 ( 1.790 -4.096 6.725) 8.075 10.840 ( 2.067 0.931 0.395) 2.301 10.860 ( 2.463 1.384 -0.041) 2.826 10.918 ( 1.557 3.861 3.970) 5.752 10.988 ( -3.523 3.311 -1.939) 5.209 11.077 ( -0.056 -2.892 -0.264) 2.905 11.141 ( -5.234 -2.311 -6.138) 8.392 11.376 ( -7.511 -1.185 -4.499) 8.835 11.409 ( -5.200 -2.302 -3.488) 6.671 11.673 ( 0.578 1.889 1.794) 2.669 11.825 ( 2.355 -6.425 2.643) 7.335 12.047 ( 4.806 3.081 3.143) 6.517 12.100 ( 4.785 -1.153 0.932) 5.010 12.197 ( 3.738 4.076 -2.652) 6.133 12.296 ( 2.738 -0.440 -1.966) 3.400 12.386 ( 6.928 3.163 -1.733) 7.811 12.545 ( 6.856 -4.267 -5.000) 9.498 12.707 ( 2.066 3.642 0.282) 4.197 12.845 ( 2.749 -2.169 2.373) 4.230 12.974 ( 0.920 0.522 0.079) 1.061 13.022 ( -1.669 -2.057 -0.936) 2.810 13.167 ( -1.506 2.036 -1.749) 3.078 13.281 ( 4.158 3.848 1.125) 5.776 13.307 ( 2.489 -4.266 0.897) 5.020 13.413 ( 0.008 2.056 1.209) 2.385 13.437 ( 3.029 0.658 -1.306) 3.363 13.481 ( 4.693 0.745 1.148) 4.889 13.622 ( 2.755 -3.496 3.345) 5.568 13.783 ( 1.823 1.766 -2.115) 3.303 13.796 ( 3.697 -5.850 -6.436) 9.451 13.846 ( 2.104 -0.998 -0.150) 2.334 14.073 ( 0.368 4.673 -0.525) 4.716 14.151 ( 1.639 3.523 -2.900) 4.849 14.418 ( -2.340 -1.428 1.813) 3.287 14.477 ( -1.738 -2.402 -0.925) 3.106 14.841 ( -2.003 1.565 0.712) 2.640 14.914 ( -0.951 -1.535 0.327) 1.835 15.090 ( -1.480 1.482 2.074) 2.947 15.182 ( -0.817 -2.916 -0.465) 3.063 15.387 ( -4.590 3.598 1.103) 5.936 15.486 ( -1.634 -0.875 -1.495) 2.381 15.709 ( 0.346 0.105 2.711) 2.735 15.734 ( 0.090 -0.770 4.554) 4.619 ======================= Grid point 179 (99/117) ======================= q-point: ( 0.27 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.029 ( 18.115 7.030 -22.407) 29.659 4.194 ( 9.584 1.754 23.428) 25.374 4.319 ( 8.508 -6.397 -6.118) 12.277 4.489 ( 2.341 -5.964 16.107) 17.335 4.524 ( 16.086 -5.099 -12.474) 20.985 4.603 ( 15.301 -3.055 17.110) 23.156 4.787 ( 1.580 -6.995 -7.799) 10.595 4.843 ( 20.140 -8.001 24.392) 32.628 5.100 ( 6.204 12.373 1.789) 13.956 5.198 ( 2.373 21.425 3.654) 21.864 5.419 ( -2.323 16.956 12.558) 21.228 5.691 ( 3.259 -0.767 -9.592) 10.160 5.944 ( 0.673 3.648 -5.772) 6.861 6.191 ( 0.603 -19.973 11.251) 22.932 6.365 ( -11.248 -10.234 3.734) 15.658 6.558 ( -4.955 -13.627 0.459) 14.507 6.564 ( -10.329 -1.069 1.961) 10.567 6.657 ( -5.809 8.430 -6.135) 11.935 6.711 ( -11.682 -15.479 -5.300) 20.103 6.897 ( 13.192 10.261 -13.529) 21.502 7.047 ( -10.190 -1.935 -5.932) 11.949 7.376 ( 3.994 7.760 12.281) 15.067 7.459 ( 1.564 9.552 6.674) 11.757 7.652 ( -7.720 0.098 -2.003) 7.976 7.754 ( 2.881 13.689 7.079) 15.678 7.820 ( -0.017 -10.450 -7.370) 12.788 7.910 ( -8.340 8.885 -6.554) 13.837 8.162 ( 1.730 -6.471 4.607) 8.130 8.218 ( -0.538 -10.188 6.053) 11.863 8.424 ( -4.411 8.864 3.527) 10.510 8.544 ( -11.909 -6.772 -11.262) 17.735 8.721 ( 0.144 2.276 -1.503) 2.732 8.935 ( 2.037 0.302 -2.325) 3.105 9.086 ( 6.640 -0.259 -2.330) 7.041 9.174 ( -0.707 4.033 1.138) 4.250 9.250 ( 6.933 -0.577 -7.937) 10.554 9.319 ( 4.078 0.350 -8.972) 9.861 9.467 ( -7.173 3.144 -10.399) 13.018 9.501 ( 1.925 -5.089 -2.045) 5.813 9.724 ( -4.606 -6.445 -3.110) 8.510 9.858 ( -2.505 0.062 -0.952) 2.681 9.905 ( -3.079 -4.914 4.578) 7.389 10.182 ( -0.024 5.173 -4.198) 6.662 10.243 ( 1.692 3.402 3.081) 4.892 10.305 ( -0.111 0.115 0.480) 0.506 10.399 ( -2.575 8.121 8.289) 11.887 10.489 ( 0.428 -3.540 -1.234) 3.773 10.696 ( -1.682 -1.352 3.275) 3.922 10.858 ( -2.988 -0.828 2.423) 3.934 10.880 ( -0.876 -1.367 5.909) 6.128 10.915 ( -1.669 1.912 -1.605) 3.003 10.985 ( 0.035 2.191 5.788) 6.189 11.027 ( 0.262 -1.081 -1.963) 2.256 11.114 ( 2.512 -2.129 0.161) 3.296 11.237 ( -3.739 -0.653 -1.194) 3.979 11.308 ( -2.995 -2.087 -4.247) 5.600 11.748 ( 4.888 2.262 4.069) 6.750 11.905 ( 4.360 -5.660 3.339) 7.886 12.158 ( 4.172 2.493 3.830) 6.188 12.198 ( 4.633 -0.842 0.644) 4.753 12.273 ( 4.913 2.415 -4.503) 7.088 12.343 ( 2.777 -0.040 -0.327) 2.797 12.528 ( 7.741 2.239 -2.921) 8.571 12.650 ( 5.555 -3.467 -4.485) 7.937 12.762 ( 2.849 3.047 0.183) 4.175 12.869 ( -1.521 -1.640 -0.140) 2.241 12.978 ( -0.332 0.082 -2.246) 2.272 12.982 ( -0.829 -0.050 -0.653) 1.057 13.138 ( -0.981 2.823 1.544) 3.364 13.320 ( 0.228 -2.833 1.270) 3.113 13.369 ( 1.398 1.334 0.668) 2.045 13.423 ( 1.049 1.718 3.142) 3.732 13.505 ( 3.622 1.487 -2.087) 4.437 13.569 ( 3.957 1.904 -0.489) 4.418 13.695 ( 2.860 -5.063 2.481) 6.322 13.800 ( 0.728 0.954 -1.859) 2.212 13.842 ( 3.022 -6.219 -5.460) 8.810 13.875 ( 1.070 0.723 -1.374) 1.886 14.084 ( 1.475 4.787 -3.046) 5.862 14.181 ( 1.739 0.777 -1.092) 2.195 14.385 ( -1.294 -0.959 0.545) 1.701 14.434 ( -2.036 -1.828 -0.895) 2.879 14.805 ( -1.757 1.545 0.099) 2.342 14.887 ( -1.774 -1.988 -0.405) 2.695 15.079 ( -0.453 1.271 2.484) 2.827 15.158 ( -1.342 -2.827 0.874) 3.249 15.315 ( -2.569 4.804 0.481) 5.469 15.456 ( -0.751 -1.928 -1.882) 2.797 15.730 ( 0.503 0.300 3.192) 3.246 15.751 ( -0.191 -0.430 4.641) 4.665 ======================= Grid point 180 (100/117) ======================= q-point: ( 0.36 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.368 ( 17.192 -0.607 -8.606) 19.236 4.442 ( 9.825 -6.004 -6.093) 13.027 4.482 ( 10.340 3.616 6.177) 12.575 4.654 ( 9.403 -5.022 9.894) 14.544 4.769 ( 7.580 1.284 -1.055) 7.760 4.850 ( 19.783 -5.229 -15.002) 25.373 5.068 ( 15.410 5.742 20.082) 25.957 5.233 ( 4.071 19.893 7.041) 21.492 5.246 ( 12.562 10.646 8.638) 18.595 5.414 ( 10.293 -3.362 16.646) 19.859 5.490 ( 11.778 2.219 1.965) 12.145 5.743 ( 4.233 -6.158 -6.390) 9.832 5.895 ( -3.864 2.839 -3.174) 5.750 6.209 ( -4.853 -7.865 8.838) 12.788 6.270 ( -5.856 -11.360 3.830) 13.342 6.329 ( -6.244 -7.288 -0.227) 9.600 6.390 ( -8.225 -1.962 0.556) 8.474 6.455 ( -9.615 -7.032 -7.579) 14.119 6.520 ( -5.986 -5.435 1.364) 8.200 6.846 ( -3.907 -4.441 1.936) 6.224 7.152 ( -9.352 -0.998 -0.956) 9.454 7.171 ( 9.834 9.708 -8.466) 16.206 7.378 ( -14.659 14.505 -12.288) 24.006 7.493 ( -10.956 -0.284 0.227) 10.962 7.697 ( -3.138 15.769 2.121) 16.218 7.873 ( -4.236 1.863 -1.053) 4.745 8.051 ( -6.292 -3.978 0.208) 7.447 8.077 ( 7.781 1.948 1.045) 8.089 8.195 ( -6.417 -4.577 -7.045) 10.572 8.297 ( 5.306 -3.091 -0.049) 6.141 8.395 ( -5.354 0.397 4.511) 7.013 8.641 ( -5.086 -7.537 -5.064) 10.408 8.915 ( -6.263 -0.154 -5.691) 8.464 9.019 ( -8.149 2.351 -4.158) 9.446 9.192 ( 0.095 3.644 -6.610) 7.549 9.267 ( 1.253 3.636 -1.286) 4.055 9.321 ( 1.877 5.144 -8.965) 10.505 9.413 ( 2.704 -2.166 5.364) 6.386 9.505 ( 0.153 -4.844 -2.745) 5.570 9.651 ( -0.873 -6.010 -1.542) 6.266 9.806 ( -1.970 -3.096 -1.637) 4.018 9.923 ( 0.543 -8.223 6.473) 10.479 10.168 ( 0.422 2.491 -1.013) 2.722 10.264 ( -0.433 -1.134 1.440) 1.883 10.370 ( 1.942 5.930 0.107) 6.241 10.423 ( 4.723 5.749 4.431) 8.660 10.513 ( 2.252 1.816 0.886) 3.026 10.634 ( -4.524 0.824 1.885) 4.970 10.781 ( -4.914 -0.424 2.633) 5.591 10.813 ( -5.977 0.049 3.234) 6.796 10.919 ( -0.011 0.875 6.525) 6.583 11.018 ( 1.931 -1.821 2.953) 3.971 11.060 ( 1.569 1.145 0.948) 2.162 11.186 ( 2.698 -3.494 3.749) 5.792 11.219 ( 2.028 0.287 -2.341) 3.110 11.268 ( 0.936 -1.104 -6.038) 6.209 11.876 ( 5.462 2.351 6.229) 8.611 12.019 ( 5.377 -4.249 3.682) 7.780 12.228 ( 1.801 0.594 1.455) 2.390 12.257 ( 0.573 -1.181 -0.859) 1.569 12.359 ( 5.235 2.722 -0.691) 5.941 12.413 ( 3.999 -0.236 0.092) 4.007 12.652 ( 5.621 0.910 -3.990) 6.953 12.712 ( 1.283 -0.922 -4.179) 4.467 12.794 ( -0.110 0.559 -2.533) 2.596 12.820 ( -1.278 -0.196 -0.633) 1.440 12.951 ( -0.267 0.490 -2.476) 2.538 12.983 ( 0.201 -0.777 0.881) 1.192 13.143 ( 0.163 3.261 3.888) 5.078 13.317 ( -0.733 -3.163 -0.007) 3.247 13.381 ( 0.198 3.196 2.749) 4.220 13.460 ( 0.961 -1.040 2.313) 2.712 13.547 ( 1.533 2.309 -2.545) 3.762 13.628 ( 2.054 0.347 -1.600) 2.627 13.744 ( 1.098 -3.385 2.099) 4.132 13.797 ( 0.151 2.634 -3.095) 4.067 13.859 ( -0.160 -3.325 -1.880) 3.823 13.897 ( 2.669 -2.694 -2.873) 4.758 14.102 ( 1.598 4.122 -3.734) 5.787 14.195 ( -0.029 -0.718 -0.929) 1.175 14.370 ( -0.462 -0.387 -0.268) 0.659 14.396 ( -1.434 -1.056 -0.330) 1.811 14.775 ( -1.106 1.323 -0.262) 1.744 14.845 ( -1.852 -1.763 -1.377) 2.904 15.094 ( 0.880 0.730 2.671) 2.906 15.151 ( 0.241 -2.389 1.759) 2.976 15.290 ( -0.328 4.768 0.315) 4.790 15.433 ( -0.840 -2.138 -2.769) 3.598 15.753 ( 0.531 0.141 3.234) 3.280 15.766 ( -0.031 -0.167 4.019) 4.022 ======================= Grid point 181 (101/117) ======================= q-point: ( 0.45 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.501 ( 2.575 -4.782 -0.930) 5.510 4.593 ( 5.131 -5.780 -6.037) 9.807 4.730 ( 11.985 -0.967 -6.965) 13.895 4.814 ( 3.003 -3.920 -2.102) 5.367 4.977 ( 9.717 10.651 6.433) 15.788 5.234 ( 18.504 -1.587 -9.850) 21.022 5.280 ( 1.361 13.720 4.974) 14.657 5.399 ( 11.341 6.557 9.944) 16.447 5.515 ( 2.602 -1.175 -3.038) 4.169 5.620 ( 14.398 4.566 11.809) 19.173 5.647 ( -3.207 1.655 2.151) 4.201 5.713 ( 0.513 4.122 -5.348) 6.772 5.934 ( -3.992 -6.659 0.348) 7.772 6.083 ( 0.220 -6.358 -1.533) 6.544 6.126 ( -6.396 -8.899 -1.631) 11.080 6.217 ( -3.009 -8.291 3.793) 9.602 6.326 ( 2.215 -5.987 2.535) 6.868 6.445 ( 7.008 -7.930 10.697) 15.047 6.590 ( 10.412 11.784 -1.101) 15.763 6.785 ( -4.082 1.429 -0.481) 4.352 7.003 ( -12.106 9.670 -3.544) 15.894 7.075 ( -4.269 -2.806 0.942) 5.194 7.139 ( -3.106 -8.906 -3.745) 10.148 7.418 ( -11.976 -0.453 -2.668) 12.278 7.550 ( -2.735 3.885 -6.337) 7.920 7.720 ( -3.408 13.439 -3.561) 14.315 7.768 ( -9.994 9.311 -6.193) 14.998 7.950 ( -10.573 -0.584 -8.313) 13.462 8.226 ( 0.454 -1.256 3.233) 3.498 8.330 ( -3.835 -12.273 -7.700) 14.988 8.449 ( -1.637 -6.707 7.360) 10.091 8.573 ( -0.040 -7.839 -0.911) 7.892 8.738 ( 0.353 6.629 5.801) 8.816 8.912 ( -5.944 0.204 -1.758) 6.202 9.174 ( 2.766 6.010 -3.741) 7.600 9.263 ( -5.304 2.428 -2.517) 6.353 9.338 ( 4.826 6.890 -0.503) 8.427 9.413 ( -2.957 4.085 -0.576) 5.076 9.572 ( 2.923 -5.502 4.050) 7.431 9.695 ( 5.580 -3.226 3.771) 7.467 9.741 ( -4.198 -3.833 -1.111) 5.792 9.906 ( -3.817 -7.981 2.172) 9.109 10.206 ( 2.178 -0.610 1.990) 3.013 10.255 ( -0.553 -0.867 0.114) 1.035 10.412 ( 2.052 2.949 0.968) 3.721 10.486 ( -1.201 1.632 1.333) 2.426 10.569 ( 0.793 2.501 4.573) 5.272 10.628 ( 5.386 0.432 0.832) 5.467 10.697 ( -3.694 1.130 2.292) 4.492 10.704 ( -5.437 0.883 0.598) 5.541 10.948 ( -0.169 2.085 7.787) 8.063 11.061 ( 0.668 0.125 3.313) 3.382 11.094 ( 2.112 -0.052 -2.272) 3.103 11.230 ( 0.610 -3.661 3.709) 5.247 11.262 ( 3.009 0.334 -8.930) 9.429 11.283 ( 2.324 -0.591 -3.139) 3.950 12.008 ( 5.008 2.200 6.968) 8.859 12.133 ( 4.275 -3.301 3.145) 6.250 12.223 ( -2.205 0.263 -2.486) 3.334 12.247 ( -0.622 -1.244 -0.966) 1.693 12.459 ( 4.345 1.549 0.531) 4.643 12.479 ( 1.456 0.246 1.300) 1.967 12.667 ( -2.257 2.343 -1.268) 3.492 12.705 ( 0.080 0.742 -2.898) 2.993 12.767 ( -3.204 -1.770 -0.206) 3.666 12.781 ( -0.481 -1.816 -4.039) 4.455 12.976 ( 1.599 0.045 -0.109) 1.603 12.985 ( 0.519 -0.116 -0.207) 0.571 13.168 ( 0.624 2.994 4.531) 5.467 13.292 ( -1.232 -2.072 -2.033) 3.153 13.415 ( 1.607 2.274 4.647) 5.417 13.488 ( 1.235 -1.475 2.243) 2.955 13.550 ( 0.059 1.718 -3.086) 3.533 13.624 ( -1.451 -1.204 -3.388) 3.878 13.751 ( -1.485 -0.223 2.419) 2.848 13.790 ( 0.144 2.748 -1.894) 3.341 13.852 ( 1.117 -1.226 -1.430) 2.190 13.939 ( 2.259 -5.077 -3.724) 6.689 14.118 ( 1.353 3.339 -2.257) 4.251 14.173 ( -1.605 -0.178 -1.562) 2.247 14.361 ( -0.308 -0.030 0.005) 0.310 14.375 ( -0.662 -0.530 -0.330) 0.910 14.765 ( 0.396 0.863 -0.227) 0.976 14.808 ( -1.131 -0.945 -2.073) 2.543 15.130 ( 1.473 0.411 2.322) 2.780 15.173 ( 1.073 -1.977 0.667) 2.346 15.295 ( 0.396 3.350 1.460) 3.676 15.397 ( -1.435 -1.553 -3.393) 3.998 15.776 ( 0.387 -0.055 2.845) 2.872 15.782 ( 0.306 -0.054 2.486) 2.505 ======================= Grid point 182 (102/117) ======================= q-point: (-0.45 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.447 ( -10.331 -4.467 3.766) 11.869 4.589 ( -2.993 -9.582 -7.996) 12.833 4.776 ( -6.578 3.377 -4.978) 8.914 4.866 ( 4.363 -4.283 -7.310) 9.530 4.992 ( -13.221 7.935 5.203) 16.274 5.138 ( -9.598 1.416 -3.224) 10.223 5.394 ( 0.686 9.308 -3.842) 10.093 5.540 ( 0.940 0.177 -2.217) 2.414 5.609 ( 5.639 0.184 -9.916) 11.408 5.637 ( 5.317 7.712 -8.524) 12.665 5.724 ( -6.436 -1.867 -6.919) 9.632 5.814 ( 8.987 0.611 6.649) 11.196 5.911 ( 5.777 -6.739 7.080) 11.354 5.993 ( -5.057 -1.281 -6.756) 8.535 6.176 ( 5.350 -2.825 -2.701) 6.626 6.265 ( 13.012 4.008 -2.233) 13.797 6.431 ( -5.594 0.562 -6.872) 8.879 6.521 ( 3.518 0.374 2.006) 4.067 6.671 ( -0.765 0.164 0.936) 1.220 6.796 ( -7.083 -6.615 -6.674) 11.767 6.996 ( 5.411 -0.208 -2.177) 5.836 7.059 ( 14.872 -2.594 9.432) 17.801 7.121 ( 4.504 -2.179 4.147) 6.498 7.217 ( 2.504 -2.210 -3.952) 5.175 7.565 ( -10.284 -3.098 -2.818) 11.105 7.629 ( 2.985 5.596 4.324) 7.676 7.666 ( -3.856 8.964 3.492) 10.365 7.805 ( 6.680 10.173 5.203) 13.235 8.155 ( -10.696 -9.386 7.247) 15.969 8.270 ( 1.660 -4.282 -0.806) 4.663 8.416 ( -1.790 0.859 13.227) 13.375 8.572 ( -0.335 -8.771 -1.428) 8.893 8.796 ( -2.101 2.478 -0.919) 3.376 8.881 ( 5.840 -0.958 1.289) 6.057 9.123 ( -6.513 6.494 0.085) 9.198 9.239 ( 2.062 1.807 -0.758) 2.844 9.308 ( -5.705 5.017 1.204) 7.692 9.422 ( 2.510 5.198 -0.361) 5.783 9.610 ( -5.484 -4.997 4.455) 8.655 9.638 ( -1.711 -4.101 2.692) 5.196 9.798 ( -1.241 -2.537 -0.026) 2.824 9.889 ( 5.998 -0.932 0.253) 6.075 10.203 ( -3.219 -1.330 2.534) 4.307 10.277 ( 2.940 0.209 -1.600) 3.353 10.388 ( -3.771 -1.183 3.681) 5.401 10.495 ( -0.855 -3.497 1.000) 3.736 10.580 ( -1.587 1.890 3.104) 3.965 10.621 ( -0.582 1.875 0.117) 1.967 10.683 ( 2.414 2.587 -0.227) 3.546 10.761 ( 5.819 -0.268 -0.435) 5.841 10.970 ( -0.341 3.081 5.000) 5.883 11.069 ( -1.255 2.658 4.798) 5.627 11.120 ( 1.883 -1.818 -5.388) 5.990 11.239 ( -0.393 -1.890 -1.013) 2.180 11.261 ( 0.610 -0.185 -7.531) 7.558 11.312 ( 1.402 -1.313 -3.464) 3.961 12.121 ( 2.656 0.776 4.768) 5.512 12.145 ( -2.867 1.126 -4.244) 5.244 12.194 ( -1.355 -1.857 0.079) 2.300 12.218 ( -0.177 -1.693 0.098) 1.705 12.452 ( -4.228 1.978 0.885) 4.751 12.513 ( 0.022 -0.570 -1.363) 1.478 12.637 ( -2.510 1.095 1.840) 3.299 12.657 ( -1.646 2.214 0.971) 2.924 12.711 ( -2.057 -1.887 2.526) 3.764 12.763 ( -0.588 -2.355 -0.092) 2.429 12.960 ( -1.653 1.228 0.271) 2.077 13.018 ( 1.418 -1.210 -2.195) 2.879 13.204 ( 0.991 1.711 4.550) 4.961 13.259 ( -0.776 -0.732 -2.914) 3.103 13.460 ( 0.518 2.096 4.101) 4.635 13.517 ( -0.306 -0.650 -2.339) 2.447 13.547 ( 1.255 -0.351 1.387) 1.903 13.564 ( -1.678 -0.334 -3.682) 4.060 13.719 ( -2.164 1.960 2.345) 3.745 13.784 ( -0.646 1.295 1.574) 2.139 13.889 ( 2.631 -1.905 -2.858) 4.326 13.942 ( 0.149 -4.447 -6.535) 7.906 14.123 ( -2.573 1.570 -1.330) 3.294 14.143 ( 1.277 1.355 0.596) 1.955 14.362 ( 0.073 -0.065 0.296) 0.312 14.368 ( 0.349 -0.113 -0.104) 0.381 14.786 ( 0.033 0.105 -2.047) 2.050 14.789 ( 1.872 0.003 -0.345) 1.903 15.161 ( 0.753 0.191 1.155) 1.392 15.182 ( -0.019 -0.706 -2.052) 2.171 15.320 ( 1.098 0.980 3.480) 3.779 15.352 ( -1.529 -0.388 -3.154) 3.527 15.787 ( -0.107 0.084 1.481) 1.487 15.798 ( 0.460 -0.350 1.253) 1.380 ======================= Grid point 183 (103/117) ======================= q-point: (-0.36 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.099 ( -26.898 3.140 10.107) 28.905 4.385 ( -23.448 -8.410 5.768) 25.570 4.431 ( -16.552 -5.328 8.615) 19.405 4.704 ( -16.330 -8.700 1.575) 18.570 4.887 ( 1.779 -0.088 -13.048) 13.169 4.996 ( 1.745 -4.677 -19.344) 19.978 5.344 ( -5.674 21.115 -7.774) 23.205 5.431 ( -0.591 5.561 -14.402) 15.450 5.589 ( -5.636 4.867 -7.406) 10.503 5.649 ( -3.931 7.755 -12.966) 15.611 5.667 ( -1.769 0.789 -16.076) 16.193 5.758 ( -5.116 5.452 -9.041) 11.732 5.914 ( 3.615 5.176 -4.406) 7.699 6.251 ( 12.843 -3.015 5.389) 14.250 6.316 ( 11.702 -8.613 -0.017) 14.530 6.358 ( 7.710 -5.803 -2.890) 10.073 6.412 ( -1.160 5.410 -3.177) 6.380 6.505 ( 1.343 -6.495 -10.724) 12.609 6.615 ( 3.373 -17.972 -7.689) 19.837 6.867 ( 3.729 -1.885 3.871) 5.696 6.958 ( -22.862 8.356 9.715) 26.208 7.152 ( 4.140 -3.320 -2.257) 5.767 7.182 ( 12.493 6.034 2.988) 14.192 7.501 ( 12.399 -7.036 0.777) 14.278 7.589 ( 15.257 -3.827 18.238) 24.084 7.711 ( -5.295 -2.316 11.551) 12.916 7.803 ( 7.882 6.822 3.881) 11.124 8.030 ( 2.067 3.723 13.827) 14.468 8.057 ( 13.008 -1.050 6.716) 14.677 8.369 ( 3.104 1.254 -2.014) 3.907 8.415 ( -0.826 2.212 11.971) 12.202 8.534 ( -1.400 -3.195 -0.840) 3.588 8.794 ( -0.703 3.455 4.291) 5.554 8.968 ( 3.767 2.602 2.108) 5.041 9.029 ( -2.731 0.182 2.616) 3.786 9.193 ( -4.928 2.477 3.129) 6.341 9.255 ( -3.505 2.824 0.603) 4.541 9.452 ( -0.556 1.355 1.227) 1.911 9.483 ( -3.740 -2.864 0.851) 4.787 9.627 ( -0.747 -4.317 2.269) 4.934 9.765 ( -1.063 -0.696 -0.582) 1.397 10.003 ( 3.643 2.141 1.874) 4.622 10.123 ( -5.516 -4.812 0.707) 7.354 10.322 ( 2.039 -2.185 -2.277) 3.757 10.376 ( 1.882 -2.103 -0.585) 2.882 10.426 ( -4.065 -1.829 0.689) 4.510 10.558 ( -0.433 5.115 -0.472) 5.155 10.680 ( 4.365 1.687 -2.860) 5.484 10.736 ( 2.061 0.888 3.495) 4.154 10.861 ( 4.411 -1.972 0.446) 4.852 10.966 ( -1.308 2.528 0.430) 2.879 11.062 ( -1.246 3.570 5.140) 6.381 11.120 ( 0.375 -2.412 -6.543) 6.983 11.215 ( -0.281 1.323 -5.445) 5.610 11.230 ( -1.529 -2.181 -2.540) 3.681 11.306 ( -0.257 -1.823 -4.284) 4.663 12.018 ( -6.216 1.259 -6.550) 9.118 12.100 ( -5.016 -2.536 -3.668) 6.712 12.205 ( 0.292 -0.116 4.042) 4.054 12.215 ( -0.598 -0.647 2.924) 3.054 12.346 ( -6.290 2.850 0.513) 6.925 12.438 ( -5.164 -1.157 -2.864) 6.017 12.578 ( -4.811 0.795 2.908) 5.678 12.634 ( -2.125 -0.436 3.360) 4.000 12.722 ( 0.979 -0.204 3.863) 3.990 12.770 ( 0.751 -0.845 3.583) 3.757 12.922 ( -1.970 2.313 0.201) 3.045 13.020 ( -0.143 -1.848 -2.174) 2.857 13.216 ( -0.561 0.450 -1.653) 1.803 13.262 ( 0.878 0.007 2.998) 3.124 13.465 ( -1.085 1.301 2.576) 3.083 13.474 ( -1.579 -0.634 -4.957) 5.241 13.524 ( -0.829 0.828 -1.024) 1.556 13.582 ( -0.938 1.251 1.955) 2.503 13.707 ( 0.206 1.186 2.778) 3.027 13.773 ( -1.478 0.918 2.939) 3.415 13.897 ( -0.849 -4.222 -7.107) 8.311 13.910 ( -0.225 -3.348 -4.609) 5.701 14.073 ( -1.864 3.810 0.183) 4.245 14.166 ( 0.329 -0.145 1.645) 1.684 14.363 ( 0.096 -0.258 0.422) 0.504 14.387 ( 1.232 -0.443 0.575) 1.429 14.789 ( 1.122 1.012 -1.626) 2.219 14.836 ( 2.762 -1.050 -0.391) 2.980 15.162 ( -0.203 0.159 -3.252) 3.262 15.172 ( 0.144 -0.088 -0.519) 0.545 15.320 ( -0.222 1.230 -2.112) 2.454 15.363 ( 1.437 -0.559 3.670) 3.981 15.783 ( -0.625 0.289 0.236) 0.728 15.807 ( 0.051 -0.697 0.407) 0.809 ======================= Grid point 184 (104/117) ======================= q-point: (-0.27 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( -30.005 11.223 19.339) 37.420 3.929 ( -25.628 -2.261 24.282) 35.377 4.145 ( -17.216 -19.256 7.486) 26.893 4.412 ( -13.854 -21.964 17.176) 31.135 4.886 ( 5.011 1.892 -27.319) 27.839 4.947 ( 1.488 2.998 -21.593) 21.851 5.257 ( -14.183 5.577 -29.407) 33.122 5.288 ( 1.647 20.202 -7.613) 21.651 5.324 ( -6.539 7.240 -17.753) 20.257 5.366 ( -5.896 5.125 -14.925) 16.846 5.616 ( -3.890 0.423 -8.817) 9.646 5.800 ( 9.728 15.339 -17.225) 25.033 5.869 ( -9.709 8.488 3.974) 13.494 6.251 ( -17.799 14.395 13.946) 26.806 6.388 ( 3.664 1.817 -2.265) 4.675 6.490 ( -1.462 -10.149 -6.028) 11.894 6.519 ( 4.963 -12.912 -0.049) 13.833 6.637 ( 15.030 -18.525 -2.301) 23.966 6.684 ( 11.686 -15.015 -5.213) 19.728 6.790 ( 6.034 -3.086 1.410) 6.922 6.977 ( 13.162 -7.673 2.715) 15.476 7.218 ( -11.734 -20.033 19.177) 30.113 7.503 ( 12.506 14.212 7.567) 20.387 7.585 ( 5.000 1.055 2.553) 5.713 7.744 ( 1.262 12.655 2.571) 12.975 7.767 ( 9.649 -4.218 0.490) 10.542 8.070 ( -3.248 6.556 -0.454) 7.330 8.118 ( -0.720 3.372 -3.013) 4.579 8.224 ( 12.785 3.504 11.952) 17.850 8.325 ( 3.983 -2.009 -2.130) 4.944 8.448 ( -3.845 3.176 13.315) 14.219 8.650 ( 4.256 9.159 -1.914) 10.279 8.843 ( 4.589 -8.955 11.064) 14.955 8.984 ( -5.161 0.014 10.588) 11.779 9.036 ( -0.818 -2.915 -0.677) 3.103 9.072 ( -9.969 -3.172 7.137) 12.664 9.204 ( 0.334 9.179 1.306) 9.277 9.404 ( 1.797 5.345 -1.334) 5.795 9.512 ( 1.661 -3.504 -1.249) 4.074 9.670 ( 4.893 -5.962 2.778) 8.198 9.780 ( 2.788 0.903 4.757) 5.587 10.011 ( -5.391 -1.373 -0.317) 5.572 10.072 ( 4.079 -0.696 -0.693) 4.196 10.341 ( -1.170 -2.373 -2.352) 3.540 10.348 ( 1.067 -1.807 -4.398) 4.873 10.432 ( 0.336 -6.828 2.151) 7.167 10.560 ( 1.851 9.127 -4.948) 10.546 10.736 ( 1.688 2.671 -1.451) 3.476 10.785 ( 0.625 0.446 4.952) 5.011 10.925 ( -1.248 1.528 -1.935) 2.764 10.951 ( 4.050 -3.019 0.583) 5.084 11.045 ( -2.428 -0.181 -1.704) 2.972 11.098 ( 0.132 1.309 -1.098) 1.714 11.161 ( -2.120 1.812 -7.946) 8.421 11.231 ( 1.931 -2.712 1.422) 3.620 11.283 ( 0.152 -1.639 -2.425) 2.931 11.851 ( -7.484 1.519 -5.013) 9.135 11.972 ( -6.118 -4.709 -2.210) 8.030 12.175 ( -3.759 3.655 3.891) 6.530 12.217 ( -3.425 0.222 -1.140) 3.617 12.227 ( -2.799 0.559 -1.117) 3.065 12.320 ( -5.433 -1.692 0.020) 5.690 12.484 ( -5.331 1.338 1.329) 5.655 12.577 ( -4.634 -2.346 2.752) 5.878 12.749 ( -0.795 2.680 1.908) 3.384 12.811 ( 2.038 -0.373 4.756) 5.187 12.903 ( -0.381 1.396 3.209) 3.520 12.998 ( -1.251 -2.317 -1.835) 3.210 13.195 ( -0.510 1.046 -2.759) 2.995 13.283 ( -0.370 -1.280 3.952) 4.171 13.420 ( -2.824 -0.467 -3.239) 4.322 13.447 ( -1.702 0.101 1.963) 2.601 13.490 ( -2.042 2.677 -1.522) 3.695 13.545 ( -2.486 2.266 0.819) 3.462 13.711 ( -2.072 -0.854 0.906) 2.417 13.756 ( -0.766 1.409 2.184) 2.710 13.848 ( -1.251 -4.329 -3.980) 6.012 13.873 ( -1.269 -3.589 -4.366) 5.792 14.043 ( -1.762 4.669 1.480) 5.205 14.165 ( -0.798 0.739 0.485) 1.191 14.376 ( 1.062 -1.102 1.333) 2.029 14.419 ( 1.707 -1.085 0.671) 2.132 14.814 ( 1.752 1.507 -0.822) 2.453 14.887 ( 2.211 -1.666 -0.300) 2.784 15.151 ( 0.665 0.683 -3.899) 4.014 15.179 ( 0.809 -0.419 -0.979) 1.338 15.334 ( 2.309 1.971 -0.998) 3.196 15.403 ( 1.121 -0.936 3.137) 3.460 15.766 ( -1.073 0.564 -0.311) 1.252 15.804 ( -0.439 -1.003 -0.109) 1.100 ======================= Grid point 185 (105/117) ======================= q-point: (-0.18 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( -16.781 12.373 33.945) 39.837 3.594 ( -19.201 3.534 36.190) 41.120 3.843 ( -15.936 -25.157 13.338) 32.630 4.322 ( -5.101 -28.407 27.031) 39.543 4.787 ( -2.117 3.969 -32.694) 33.002 4.895 ( -8.761 6.664 -32.626) 34.433 4.929 ( 1.847 10.733 -16.335) 19.633 5.018 ( -7.119 -0.821 -26.001) 26.971 5.256 ( -3.739 13.180 -11.730) 18.036 5.359 ( 3.257 1.502 -24.826) 25.084 5.494 ( -10.283 10.381 12.022) 18.922 5.588 ( -12.242 30.011 26.069) 41.595 5.914 ( 6.116 13.739 -21.986) 26.637 6.034 ( -2.975 -11.105 1.552) 11.601 6.376 ( 1.619 -17.783 -9.574) 20.261 6.537 ( 0.759 -4.503 4.553) 6.448 6.689 ( 7.565 -6.145 9.177) 13.387 6.827 ( 0.219 -10.717 8.462) 13.657 6.852 ( 3.844 -13.664 -0.178) 14.196 6.964 ( 10.177 -17.263 -5.214) 20.707 7.029 ( -1.842 -7.529 11.907) 14.208 7.331 ( 14.253 -6.358 -3.880) 16.082 7.448 ( -8.489 14.695 -20.372) 26.514 7.753 ( -1.378 15.796 -2.423) 16.041 7.806 ( 7.490 3.794 1.713) 8.569 7.889 ( 6.059 -0.289 2.032) 6.397 8.017 ( -2.369 13.145 2.116) 13.523 8.110 ( 4.471 1.253 3.717) 5.948 8.376 ( 1.852 -8.620 -2.864) 9.270 8.440 ( 2.088 12.997 9.800) 16.411 8.566 ( 7.619 -6.684 10.505) 14.597 8.635 ( 0.355 8.586 -0.056) 8.593 8.831 ( -11.689 -0.034 5.925) 13.105 8.900 ( -5.775 -5.215 3.940) 8.722 8.926 ( -7.734 -4.936 12.539) 15.537 8.997 ( 0.329 -5.991 1.914) 6.298 9.208 ( -0.763 7.857 -4.366) 9.021 9.442 ( -0.277 0.188 -1.952) 1.980 9.586 ( 6.358 0.460 -1.729) 6.605 9.800 ( 4.639 -6.052 -0.143) 7.627 9.902 ( -4.624 4.083 0.120) 6.169 9.938 ( 9.743 2.747 7.116) 12.374 10.178 ( 5.855 -2.096 0.255) 6.224 10.328 ( 1.626 0.750 -5.432) 5.719 10.375 ( 2.420 -3.758 0.347) 4.483 10.418 ( -1.562 -8.385 3.459) 9.204 10.571 ( 0.674 6.739 -7.426) 10.051 10.730 ( -1.550 1.654 0.570) 2.337 10.765 ( -4.116 3.750 3.839) 6.763 10.922 ( -0.284 1.313 -3.214) 3.483 10.973 ( -1.299 -3.554 -3.362) 5.062 11.035 ( 3.152 -2.343 1.476) 4.195 11.084 ( -0.037 3.176 -6.141) 6.914 11.105 ( -1.185 0.333 -1.278) 1.774 11.301 ( 4.607 -1.554 1.642) 5.132 11.336 ( 4.825 -1.915 3.789) 6.427 11.715 ( -3.962 1.895 -1.867) 4.773 11.856 ( -4.729 -5.698 0.415) 7.416 12.067 ( -6.417 4.820 1.807) 8.227 12.149 ( -3.698 -0.401 -4.642) 5.948 12.178 ( -0.559 0.670 -1.788) 1.989 12.241 ( -3.845 -1.282 3.398) 5.289 12.386 ( -4.087 1.442 -1.231) 4.505 12.480 ( -5.777 -2.212 1.620) 6.395 12.716 ( -2.004 4.063 -0.484) 4.556 12.866 ( 0.347 -2.818 2.424) 3.733 12.914 ( -0.665 0.720 4.849) 4.947 12.966 ( -0.799 -1.588 1.502) 2.327 13.175 ( -0.560 0.614 -1.961) 2.130 13.272 ( -2.929 -2.710 3.951) 5.615 13.330 ( -3.583 3.295 -3.087) 5.764 13.415 ( -1.948 -0.351 1.121) 2.274 13.448 ( -1.695 1.451 -1.404) 2.637 13.497 ( -2.396 0.750 -0.488) 2.558 13.642 ( -3.845 -0.437 -0.514) 3.904 13.746 ( -1.440 2.296 1.775) 3.240 13.806 ( -0.886 -6.857 -6.813) 9.707 13.846 ( -0.760 -2.427 -0.003) 2.544 14.016 ( -1.563 5.803 3.485) 6.947 14.149 ( -0.294 2.501 -1.474) 2.918 14.414 ( 1.739 -1.854 2.362) 3.470 14.459 ( 1.937 -1.330 0.613) 2.428 14.849 ( 1.808 1.446 -0.019) 2.315 14.916 ( 0.674 -1.384 0.201) 1.552 15.158 ( 1.599 0.721 -3.963) 4.333 15.190 ( 0.421 -0.571 -1.062) 1.277 15.399 ( 4.096 1.320 0.095) 4.305 15.437 ( 1.189 -0.194 3.082) 3.309 15.740 ( -1.311 0.679 -0.354) 1.518 15.789 ( -1.000 -1.288 -0.376) 1.674 ======================= Grid point 186 (106/117) ======================= q-point: (-0.09 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -3.851 2.724 45.361) 45.606 3.497 ( -6.663 12.473 44.292) 46.495 3.657 ( -9.436 -26.367 22.807) 36.117 4.362 ( -2.561 -24.321 20.852) 32.139 4.550 ( -5.711 -0.301 -35.972) 36.424 4.643 ( -4.099 1.385 -32.002) 32.293 4.826 ( -0.034 3.219 -28.517) 28.699 4.916 ( -1.458 20.307 -0.694) 20.371 5.061 ( -15.119 23.107 24.609) 36.988 5.263 ( -1.973 -6.991 -17.793) 19.219 5.300 ( -4.538 19.000 -1.651) 19.604 5.732 ( 6.898 19.752 5.804) 21.712 5.878 ( 1.698 -5.649 -11.358) 12.798 6.095 ( 5.890 -17.493 -0.816) 18.476 6.331 ( -10.771 -24.210 20.618) 33.574 6.497 ( 1.457 -8.674 -9.671) 13.073 6.777 ( 0.804 -12.501 5.063) 13.511 6.835 ( -6.770 4.274 -24.802) 26.063 6.951 ( 5.388 -3.968 -2.109) 7.016 7.019 ( -1.606 -5.707 -3.401) 6.835 7.083 ( 5.337 13.664 0.696) 14.686 7.246 ( 9.636 4.646 -4.323) 11.538 7.613 ( -4.926 4.127 -8.044) 10.295 7.687 ( -1.136 -5.335 1.225) 5.590 7.807 ( 4.078 4.445 1.309) 6.172 8.005 ( 6.896 -6.597 0.652) 9.566 8.023 ( -0.515 6.534 0.383) 6.566 8.246 ( 0.770 7.389 0.147) 7.430 8.344 ( -1.084 -2.732 -1.340) 3.230 8.513 ( 5.137 8.228 6.548) 11.703 8.627 ( -5.893 -1.520 1.594) 6.291 8.685 ( -0.279 1.033 3.919) 4.063 8.709 ( -3.180 2.544 8.760) 9.660 8.829 ( -1.552 -4.389 10.031) 11.059 8.861 ( 2.014 -2.290 3.818) 4.887 9.049 ( 3.091 -4.630 4.797) 7.348 9.141 ( -3.073 6.852 -7.734) 10.780 9.398 ( -2.134 -1.189 -5.244) 5.785 9.660 ( 1.097 1.936 -2.227) 3.148 9.743 ( -5.228 -0.184 -3.678) 6.395 9.925 ( 4.446 0.726 -1.926) 4.899 10.123 ( 2.803 -4.757 4.164) 6.916 10.267 ( 2.187 -1.310 1.591) 3.005 10.316 ( 0.022 -0.206 -0.857) 0.882 10.428 ( 1.167 0.322 0.944) 1.535 10.440 ( 1.588 -2.749 1.894) 3.697 10.550 ( 1.305 4.450 -2.278) 5.167 10.691 ( -3.773 5.042 4.351) 7.655 10.710 ( -1.474 1.007 0.919) 2.008 10.854 ( -1.000 -2.135 -8.921) 9.227 10.970 ( 0.802 -0.584 -1.515) 1.811 11.047 ( -1.983 -1.516 -0.634) 2.575 11.097 ( 0.844 -0.147 -0.417) 0.953 11.109 ( 2.838 -0.414 -2.901) 4.079 11.418 ( 5.451 0.645 4.246) 6.940 11.472 ( 6.233 -1.246 3.171) 7.103 11.697 ( 1.702 0.858 2.013) 2.773 11.802 ( -1.265 -4.842 2.246) 5.486 11.965 ( -3.924 3.510 0.875) 5.337 12.063 ( -3.341 -0.725 -3.562) 4.937 12.158 ( -2.029 -0.096 1.152) 2.335 12.191 ( -0.824 0.170 0.102) 0.847 12.328 ( -0.539 0.488 -3.899) 3.967 12.373 ( -4.744 -0.697 -0.275) 4.803 12.686 ( -0.515 3.002 -0.249) 3.056 12.817 ( -3.777 -3.073 -2.351) 5.407 12.916 ( -0.754 0.507 4.647) 4.735 12.992 ( 0.200 -2.556 4.430) 5.119 13.150 ( -1.218 0.389 -0.233) 1.300 13.212 ( -2.071 0.247 0.723) 2.207 13.282 ( -1.455 2.165 -1.006) 2.796 13.381 ( -2.039 -1.050 0.677) 2.391 13.414 ( -0.766 1.416 -1.177) 1.994 13.444 ( -2.363 -0.879 -2.673) 3.674 13.585 ( -1.763 0.201 1.557) 2.361 13.717 ( -1.378 3.241 -0.310) 3.535 13.770 ( 0.115 -7.108 -6.164) 9.410 13.821 ( -1.682 -2.622 -0.770) 3.209 14.020 ( 0.064 6.235 5.226) 8.136 14.144 ( 0.507 3.149 -2.582) 4.103 14.454 ( 0.966 -1.770 3.101) 3.699 14.495 ( 1.351 -1.244 0.187) 1.846 14.883 ( 1.473 0.989 0.708) 1.911 14.918 ( -0.565 -0.401 0.903) 1.138 15.175 ( 1.314 -0.045 -3.367) 3.615 15.181 ( -0.671 -0.276 -1.139) 1.351 15.473 ( 1.497 0.793 3.156) 3.582 15.486 ( 3.465 0.531 1.105) 3.676 15.712 ( -1.359 0.429 0.136) 1.431 15.760 ( -1.711 -1.417 -0.506) 2.279 ======================= Grid point 187 (107/117) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( 0.686 -8.233 44.049) 44.817 3.355 ( 0.686 8.233 44.049) 44.817 3.973 ( -3.359 -22.085 33.223) 40.035 3.973 ( -3.359 22.085 33.223) 40.035 4.329 ( -2.942 -4.961 -37.341) 37.784 4.329 ( -2.942 4.961 -37.341) 37.784 4.872 ( -1.285 -15.548 -31.592) 35.234 4.872 ( -1.285 15.548 -31.592) 35.234 5.459 ( 0.203 -17.238 0.756) 17.256 5.459 ( 0.203 17.238 0.756) 17.256 5.525 ( -0.367 -7.401 8.771) 11.483 5.525 ( -0.367 7.401 8.771) 11.483 5.851 ( 0.389 -11.262 27.662) 29.870 5.851 ( 0.389 11.262 27.662) 29.870 6.249 ( 0.450 -15.806 13.260) 20.637 6.249 ( 0.450 15.806 13.260) 20.637 6.751 ( -1.405 -9.607 -32.832) 34.237 6.751 ( -1.405 9.607 -32.832) 34.237 6.897 ( 1.085 -8.570 -11.716) 14.556 6.897 ( 1.085 8.570 -11.716) 14.556 7.396 ( -2.976 -4.655 -1.847) 5.826 7.396 ( -2.976 4.655 -1.847) 5.826 7.508 ( 3.304 -1.652 -1.453) 3.970 7.508 ( 3.304 1.652 -1.453) 3.970 7.968 ( 0.759 -3.737 3.632) 5.266 7.968 ( 0.759 3.737 3.632) 5.266 8.124 ( -4.937 -4.470 -0.002) 6.660 8.124 ( -4.937 4.470 -0.002) 6.660 8.395 ( -0.551 -4.627 0.680) 4.709 8.395 ( -0.551 4.627 0.680) 4.709 8.742 ( 0.869 -2.994 7.457) 8.083 8.742 ( 0.869 2.994 7.457) 8.083 8.825 ( 5.339 -4.834 0.117) 7.203 8.825 ( 5.339 4.834 0.117) 7.203 9.026 ( 3.067 -9.309 7.954) 12.623 9.026 ( 3.067 9.309 7.954) 12.623 9.228 ( -0.975 -8.915 -8.971) 12.685 9.228 ( -0.975 8.915 -8.971) 12.685 9.674 ( -1.398 -0.732 -0.855) 1.795 9.674 ( -1.398 0.732 -0.855) 1.795 9.976 ( -0.445 -0.669 -1.422) 1.633 9.976 ( -0.445 0.669 -1.422) 1.633 10.331 ( 0.228 -0.245 4.563) 4.575 10.331 ( 0.228 0.245 4.563) 4.575 10.438 ( -1.475 -0.387 0.086) 1.528 10.438 ( -1.475 0.387 0.086) 1.528 10.633 ( -5.228 -2.133 3.873) 6.847 10.633 ( -5.228 2.133 3.873) 6.847 10.783 ( 5.945 -5.997 -6.823) 10.857 10.783 ( 5.945 5.997 -6.823) 10.857 10.982 ( -2.059 -0.801 0.746) 2.332 10.982 ( -2.059 0.801 0.746) 2.332 11.119 ( 2.624 -2.666 -4.837) 6.115 11.119 ( 2.624 2.666 -4.837) 6.115 11.555 ( 1.856 -2.211 2.133) 3.590 11.555 ( 1.856 2.211 2.133) 3.590 11.744 ( -0.109 -0.928 1.989) 2.198 11.744 ( -0.109 0.928 1.989) 2.198 11.957 ( -1.304 -1.314 0.207) 1.862 11.957 ( -1.304 1.314 0.207) 1.862 12.186 ( 1.501 -2.217 0.516) 2.726 12.186 ( 1.501 2.217 0.516) 2.726 12.317 ( 0.706 -1.487 -4.547) 4.835 12.317 ( 0.706 1.487 -4.547) 4.835 12.716 ( -0.397 -0.944 -0.683) 1.231 12.716 ( -0.397 0.944 -0.683) 1.231 12.942 ( -0.212 -1.171 2.902) 3.136 12.942 ( -0.212 1.171 2.902) 3.136 13.194 ( 1.621 -2.825 2.494) 4.102 13.194 ( 1.621 2.825 2.494) 4.102 13.292 ( -1.453 -2.706 -2.313) 3.844 13.292 ( -1.453 2.706 -2.313) 3.844 13.410 ( -0.664 -0.508 0.512) 0.980 13.410 ( -0.664 0.508 0.512) 0.980 13.628 ( 0.972 -5.646 -4.453) 7.256 13.628 ( 0.972 5.646 -4.453) 7.256 13.758 ( 0.163 -1.444 -0.689) 1.608 13.758 ( 0.163 1.444 -0.689) 1.608 14.146 ( 0.131 -3.660 2.710) 4.556 14.146 ( 0.131 3.660 2.710) 4.556 14.474 ( -0.016 -1.850 0.089) 1.852 14.474 ( -0.016 1.850 0.089) 1.852 14.912 ( -0.284 -0.331 1.336) 1.406 14.912 ( -0.284 0.331 1.336) 1.406 15.165 ( -0.470 -1.144 -1.579) 2.005 15.165 ( -0.470 1.144 -1.579) 2.005 15.530 ( 0.496 -1.319 1.960) 2.414 15.530 ( 0.496 1.319 1.960) 2.414 15.699 ( -1.228 -0.883 0.605) 1.629 15.699 ( -1.228 0.883 0.605) 1.629 ======================= Grid point 189 (108/117) ======================= q-point: ( 0.09 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( 9.038 -3.755 42.696) 43.803 3.637 ( 9.038 3.755 42.696) 43.803 4.014 ( -1.082 -15.830 15.768) 22.369 4.014 ( -1.082 15.830 15.768) 22.369 4.184 ( -0.738 -7.145 -13.019) 14.869 4.184 ( -0.738 7.145 -13.019) 14.869 4.684 ( -3.174 -19.335 -32.466) 37.920 4.684 ( -3.174 19.335 -32.466) 37.920 5.467 ( -0.769 -24.766 2.559) 24.910 5.467 ( -0.769 24.766 2.559) 24.910 5.552 ( 1.457 -12.766 -2.717) 13.133 5.552 ( 1.457 12.766 -2.717) 13.133 6.031 ( 0.816 -3.452 19.719) 20.035 6.031 ( 0.816 3.452 19.719) 20.035 6.323 ( 4.397 -25.038 25.515) 36.017 6.323 ( 4.397 25.038 25.515) 36.017 6.716 ( 2.868 -5.703 -18.839) 19.892 6.716 ( 2.868 5.703 -18.839) 19.892 6.816 ( 3.431 -14.515 -20.681) 25.499 6.816 ( 3.431 14.515 -20.681) 25.499 7.267 ( -4.770 -2.362 -2.069) 5.711 7.267 ( -4.770 2.362 -2.069) 5.711 7.535 ( -6.270 -7.716 -1.046) 9.997 7.535 ( -6.270 7.716 -1.046) 9.997 7.879 ( -3.021 -5.835 3.042) 7.240 7.879 ( -3.021 5.835 3.042) 7.240 8.097 ( -2.556 -9.845 4.157) 10.988 8.097 ( -2.556 9.845 4.157) 10.988 8.477 ( 4.367 -6.485 3.054) 8.393 8.477 ( 4.367 6.485 3.054) 8.393 8.754 ( -1.555 -3.799 1.973) 4.554 8.754 ( -1.555 3.799 1.973) 4.554 8.878 ( 2.634 -5.744 -4.919) 8.008 8.878 ( 2.634 5.744 -4.919) 8.008 9.140 ( 5.297 -10.407 1.606) 11.787 9.140 ( 5.297 10.407 1.606) 11.787 9.201 ( 2.367 -3.361 -8.207) 9.179 9.201 ( 2.367 3.361 -8.207) 9.179 9.669 ( 0.335 -2.510 1.029) 2.733 9.669 ( 0.335 2.510 1.029) 2.733 9.972 ( -0.015 -7.284 1.062) 7.361 9.972 ( -0.015 7.284 1.062) 7.361 10.329 ( -1.544 -2.616 1.091) 3.228 10.329 ( -1.544 2.616 1.091) 3.228 10.419 ( -1.835 -2.199 2.707) 3.941 10.419 ( -1.835 2.199 2.707) 3.941 10.532 ( -4.045 -2.843 3.218) 5.899 10.532 ( -4.045 2.843 3.218) 5.899 10.848 ( 1.259 -2.549 -3.026) 4.152 10.848 ( 1.259 2.549 -3.026) 4.152 10.968 ( 1.554 -4.612 -0.291) 4.875 10.968 ( 1.554 4.612 -0.291) 4.875 11.138 ( 0.343 -4.813 -5.212) 7.102 11.138 ( 0.343 4.813 -5.212) 7.102 11.514 ( -5.413 -1.903 -1.853) 6.029 11.514 ( -5.413 1.903 -1.853) 6.029 11.724 ( -1.621 -1.802 1.422) 2.810 11.724 ( -1.621 1.802 1.422) 2.810 11.991 ( 3.398 -1.182 1.847) 4.044 11.991 ( 3.398 1.182 1.847) 4.044 12.221 ( 2.169 -2.542 -1.762) 3.778 12.221 ( 2.169 2.542 -1.762) 3.778 12.354 ( 4.877 -4.082 -4.065) 7.548 12.354 ( 4.877 4.082 -4.065) 7.548 12.733 ( 1.936 -2.345 0.468) 3.076 12.733 ( 1.936 2.345 0.468) 3.076 12.965 ( 1.215 -1.329 2.124) 2.785 12.965 ( 1.215 1.329 2.124) 2.785 13.231 ( 0.493 -2.079 -0.744) 2.262 13.231 ( 0.493 2.079 -0.744) 2.262 13.296 ( 2.927 -4.798 0.947) 5.699 13.296 ( 2.927 4.798 0.947) 5.699 13.413 ( 0.989 -0.366 0.787) 1.316 13.413 ( 0.989 0.366 0.787) 1.316 13.638 ( 1.509 -6.036 -3.410) 7.095 13.638 ( 1.509 6.036 -3.410) 7.095 13.779 ( 2.256 -1.115 -1.465) 2.912 13.779 ( 2.256 1.115 -1.465) 2.912 14.155 ( -0.059 -3.184 1.456) 3.502 14.155 ( -0.059 3.184 1.456) 3.502 14.459 ( -1.356 -2.121 -0.173) 2.523 14.459 ( -1.356 2.121 -0.173) 2.523 14.903 ( -1.127 -1.401 1.111) 2.114 14.903 ( -1.127 1.401 1.111) 2.114 15.148 ( -0.895 -2.177 -0.130) 2.358 15.148 ( -0.895 2.177 -0.130) 2.358 15.512 ( -2.538 -1.837 0.229) 3.142 15.512 ( -2.538 1.837 0.229) 3.142 15.697 ( 0.208 -0.481 2.685) 2.735 15.697 ( 0.208 0.481 2.685) 2.735 ======================= Grid point 191 (109/117) ======================= q-point: ( 0.18 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.958 ( 10.040 -4.401 3.953) 11.653 3.958 ( 10.040 4.401 3.953) 11.653 4.156 ( 5.224 -13.354 35.234) 38.040 4.156 ( 5.224 13.354 35.234) 38.040 4.223 ( 9.930 -3.274 4.461) 11.367 4.223 ( 9.930 3.274 4.461) 11.367 4.539 ( 2.767 -17.387 -30.945) 35.602 4.539 ( 2.767 17.387 -30.945) 35.602 5.429 ( -3.394 -23.873 1.048) 24.136 5.429 ( -3.394 23.873 1.048) 24.136 5.600 ( 3.764 -22.005 2.486) 22.462 5.600 ( 3.764 22.005 2.486) 22.462 6.022 ( -4.630 -10.066 11.424) 15.914 6.022 ( -4.630 10.066 11.424) 15.914 6.384 ( -9.596 -2.348 1.724) 10.029 6.384 ( -9.596 2.348 1.724) 10.029 6.692 ( -0.089 -1.778 6.774) 7.004 6.692 ( -0.089 1.778 6.774) 7.004 6.960 ( 12.023 -15.158 -21.950) 29.260 6.960 ( 12.023 15.158 -21.950) 29.260 7.217 ( -2.473 -3.622 -8.364) 9.444 7.217 ( -2.473 3.622 -8.364) 9.444 7.412 ( 4.574 -15.725 11.203) 19.842 7.412 ( 4.574 15.725 11.203) 19.842 7.833 ( -7.642 -0.637 2.804) 8.165 7.833 ( -7.642 0.637 2.804) 8.165 8.048 ( -1.862 -13.011 5.344) 14.188 8.048 ( -1.862 13.011 5.344) 14.188 8.485 ( -4.668 -14.901 -1.727) 15.710 8.485 ( -4.668 14.901 -1.727) 15.710 8.717 ( -3.129 -8.572 3.179) 9.663 8.717 ( -3.129 8.572 3.179) 9.663 8.937 ( 4.815 -6.116 -4.002) 8.753 8.937 ( 4.815 6.116 -4.002) 8.753 9.189 ( 4.408 -4.603 -13.031) 14.506 9.189 ( 4.408 4.603 -13.031) 14.506 9.297 ( 6.056 -8.984 0.645) 10.853 9.297 ( 6.056 8.984 0.645) 10.853 9.660 ( -1.815 -5.635 -1.498) 6.106 9.660 ( -1.815 5.635 -1.498) 6.106 9.961 ( -2.942 -5.113 2.399) 6.368 9.961 ( -2.942 5.113 2.399) 6.368 10.292 ( -2.643 -1.205 -0.276) 2.918 10.292 ( -2.643 1.205 -0.276) 2.918 10.350 ( -1.920 -4.512 -2.721) 5.608 10.350 ( -1.920 4.512 -2.721) 5.608 10.553 ( 1.628 -7.824 8.223) 11.466 10.553 ( 1.628 7.824 8.223) 11.466 10.853 ( 0.377 -0.871 1.515) 1.788 10.853 ( 0.377 0.871 1.515) 1.788 11.004 ( 1.248 -4.416 -1.114) 4.722 11.004 ( 1.248 4.416 -1.114) 4.722 11.075 ( -3.925 -4.502 -3.383) 6.865 11.075 ( -3.925 4.502 -3.383) 6.865 11.372 ( -6.681 -1.103 -3.268) 7.519 11.372 ( -6.681 1.103 -3.268) 7.519 11.728 ( 1.757 -4.074 2.183) 4.945 11.728 ( 1.757 4.074 2.183) 4.945 12.082 ( 4.714 -1.095 2.002) 5.237 12.082 ( 4.714 1.095 2.002) 5.237 12.266 ( 3.149 -2.877 -2.448) 4.918 12.266 ( 3.149 2.877 -2.448) 4.918 12.461 ( 6.950 -4.565 -3.780) 9.134 12.461 ( 6.950 4.565 -3.780) 9.134 12.783 ( 2.305 -4.235 1.151) 4.957 12.783 ( 2.305 4.235 1.151) 4.957 12.990 ( 0.448 -1.235 0.102) 1.318 12.990 ( 0.448 1.235 0.102) 1.318 13.224 ( -0.594 -4.120 0.390) 4.181 13.224 ( -0.594 4.120 0.390) 4.181 13.376 ( 3.805 -5.365 0.375) 6.588 13.376 ( 3.805 5.365 0.375) 6.588 13.464 ( 3.638 -1.814 1.178) 4.232 13.464 ( 3.638 1.814 1.178) 4.232 13.660 ( 1.845 -6.456 -2.078) 7.029 13.660 ( 1.845 6.456 -2.078) 7.029 13.825 ( 2.833 -2.030 -2.743) 4.435 13.825 ( 2.833 2.030 -2.743) 4.435 14.157 ( -0.002 -3.190 0.445) 3.221 14.157 ( -0.002 3.190 0.445) 3.221 14.425 ( -1.646 -2.430 -0.758) 3.031 14.425 ( -1.646 2.430 -0.758) 3.031 14.878 ( -1.667 -2.207 0.533) 2.817 14.878 ( -1.667 2.207 0.533) 2.817 15.129 ( -1.209 -2.606 1.113) 3.081 15.129 ( -1.209 2.606 1.113) 3.081 15.451 ( -3.034 -2.911 -0.539) 4.239 15.451 ( -3.034 2.911 -0.539) 4.239 15.718 ( 0.432 -0.838 3.656) 3.775 15.718 ( 0.432 0.838 3.656) 3.775 ======================= Grid point 193 (110/117) ======================= q-point: ( 0.27 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.160 ( 13.653 -5.475 -11.892) 18.915 4.160 ( 13.653 5.475 -11.892) 18.915 4.336 ( 6.321 -6.605 18.751) 20.861 4.336 ( 6.321 6.605 18.751) 20.861 4.542 ( 11.443 -5.621 -18.268) 22.277 4.542 ( 11.443 5.621 -18.268) 22.277 4.700 ( 20.750 -5.079 24.673) 32.636 4.700 ( 20.750 5.079 24.673) 32.636 5.380 ( -0.498 -15.942 -1.055) 15.985 5.380 ( -0.498 15.942 -1.055) 15.985 5.698 ( 2.329 -28.244 10.438) 30.201 5.698 ( 2.329 28.244 10.438) 30.201 5.949 ( -7.436 -26.245 8.837) 28.674 5.949 ( -7.436 26.245 8.837) 28.674 6.214 ( -3.689 -17.798 -3.357) 18.484 6.214 ( -3.689 17.798 -3.357) 18.484 6.588 ( -9.581 -2.092 -1.409) 9.907 6.588 ( -9.581 2.092 -1.409) 9.907 6.867 ( -11.113 -9.825 -4.216) 15.421 6.867 ( -11.113 9.825 -4.216) 15.421 7.286 ( 10.701 -19.292 -20.532) 30.138 7.286 ( 10.701 19.292 -20.532) 30.138 7.592 ( -7.521 -0.273 3.301) 8.218 7.592 ( -7.521 0.273 3.301) 8.218 7.777 ( 12.500 -16.004 11.108) 23.147 7.777 ( 12.500 16.004 11.108) 23.147 8.066 ( 0.810 -6.664 7.205) 9.848 8.066 ( 0.810 6.664 7.205) 9.848 8.281 ( -13.153 -17.408 -7.691) 23.134 8.281 ( -13.153 17.408 -7.691) 23.134 8.648 ( -5.110 -10.830 3.046) 12.357 8.648 ( -5.110 10.830 3.046) 12.357 9.006 ( 2.333 -7.290 -3.878) 8.580 9.006 ( 2.333 7.290 -3.878) 8.580 9.229 ( 3.054 -2.129 -4.463) 5.811 9.229 ( 3.054 2.129 -4.463) 5.811 9.390 ( 3.251 -5.771 -4.784) 8.171 9.390 ( 3.251 5.771 -4.784) 8.171 9.580 ( -4.620 -7.997 -5.581) 10.791 9.580 ( -4.620 7.997 -5.581) 10.791 9.862 ( -5.130 -0.590 -0.305) 5.173 9.862 ( -5.130 0.590 -0.305) 5.173 10.249 ( -1.754 -2.078 1.605) 3.158 10.249 ( -1.754 2.078 1.605) 3.158 10.365 ( 3.829 -6.383 -3.083) 8.056 10.365 ( 3.829 6.383 -3.083) 8.056 10.605 ( -0.148 -8.696 7.191) 11.285 10.605 ( -0.148 8.696 7.191) 11.285 10.858 ( -2.289 -0.845 4.698) 5.294 10.858 ( -2.289 0.845 4.698) 5.294 10.959 ( -2.059 -2.802 -1.893) 3.959 10.959 ( -2.059 2.802 -1.893) 3.959 11.063 ( 1.625 -3.025 2.097) 4.024 11.063 ( 1.625 3.025 2.097) 4.024 11.258 ( -2.825 -2.628 -2.963) 4.865 11.258 ( -2.825 2.628 -2.963) 4.865 11.810 ( 4.916 -4.381 3.777) 7.591 11.810 ( 4.916 4.381 3.777) 7.591 12.183 ( 4.215 -0.783 1.856) 4.671 12.183 ( 4.215 0.783 1.856) 4.671 12.323 ( 3.601 -2.226 -2.258) 4.798 12.323 ( 3.601 2.226 -2.258) 4.798 12.584 ( 6.647 -3.538 -4.167) 8.606 12.584 ( 6.647 3.538 -4.167) 8.606 12.822 ( 0.974 -3.200 0.641) 3.406 12.822 ( 0.974 3.200 0.641) 3.406 12.980 ( -0.802 -0.109 -1.795) 1.969 12.980 ( -0.802 0.109 -1.795) 1.969 13.219 ( -0.423 -5.714 2.548) 6.271 13.219 ( -0.423 5.714 2.548) 6.271 13.431 ( 1.521 -2.926 -0.220) 3.305 13.431 ( 1.521 2.926 -0.220) 3.305 13.546 ( 3.632 -3.478 0.560) 5.060 13.546 ( 3.632 3.478 0.560) 5.060 13.699 ( 2.609 -5.664 -0.400) 6.248 13.699 ( 2.609 5.664 -0.400) 6.248 13.857 ( 1.673 -2.391 -4.093) 5.027 13.857 ( 1.673 2.391 -4.093) 5.027 14.161 ( 0.360 -3.151 -0.316) 3.187 14.161 ( 0.360 3.151 -0.316) 3.187 14.394 ( -1.047 -1.966 -1.015) 2.447 14.394 ( -1.047 1.966 -1.015) 2.447 14.843 ( -1.841 -2.440 -0.123) 3.059 14.843 ( -1.841 2.440 -0.123) 3.059 15.112 ( -0.942 -2.175 1.951) 3.070 15.112 ( -0.942 2.175 1.951) 3.070 15.400 ( -1.655 -4.046 -0.910) 4.465 15.400 ( -1.655 4.046 -0.910) 4.465 15.740 ( 0.266 -0.705 3.806) 3.879 15.740 ( 0.266 0.705 3.806) 3.879 ======================= Grid point 195 (111/117) ======================= q-point: ( 0.36 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.374 ( 10.811 -2.129 -8.949) 14.195 4.374 ( 10.811 2.129 -8.949) 14.195 4.565 ( 10.100 -4.742 6.342) 12.834 4.565 ( 10.100 4.742 6.342) 12.834 4.778 ( 18.734 -1.290 -9.297) 20.954 4.778 ( 18.734 1.290 -9.297) 20.954 5.220 ( 18.607 -8.960 20.731) 29.262 5.220 ( 18.607 8.960 20.731) 29.262 5.435 ( 6.481 -7.863 1.142) 10.253 5.435 ( 6.481 7.863 1.142) 10.253 5.727 ( -3.164 -23.849 12.341) 27.039 5.727 ( -3.164 23.849 12.341) 27.039 5.867 ( -1.637 -20.591 3.429) 20.939 5.867 ( -1.637 20.591 3.429) 20.939 6.176 ( -2.101 -4.354 -1.707) 5.126 6.176 ( -2.101 4.354 -1.707) 5.126 6.367 ( -11.506 -2.839 -1.018) 11.894 6.367 ( -11.506 2.839 -1.018) 11.894 6.695 ( -0.975 -11.337 -2.545) 11.660 6.695 ( -0.975 11.337 -2.545) 11.660 7.182 ( -12.051 -4.113 -1.698) 12.846 7.182 ( -12.051 4.113 -1.698) 12.846 7.638 ( 9.262 -17.057 -7.987) 20.989 7.638 ( 9.262 17.057 -7.987) 20.989 7.761 ( -16.729 -15.043 -11.816) 25.412 7.761 ( -16.729 15.043 -11.816) 25.412 8.040 ( -4.012 -7.851 -3.233) 9.391 8.040 ( -4.012 7.851 -3.233) 9.391 8.230 ( 8.372 -4.644 10.108) 13.922 8.230 ( 8.372 4.644 10.108) 13.922 8.484 ( -12.588 -6.736 -2.557) 14.504 8.484 ( -12.588 6.736 -2.557) 14.504 8.978 ( -3.300 -6.115 -1.550) 7.119 8.978 ( -3.300 6.115 -1.550) 7.119 9.280 ( 2.563 -4.698 -7.029) 8.835 9.280 ( 2.563 4.698 -7.029) 8.835 9.381 ( -0.142 -5.698 2.856) 6.375 9.381 ( -0.142 5.698 2.856) 6.375 9.506 ( 0.189 -8.207 -1.929) 8.432 9.506 ( 0.189 8.207 -1.929) 8.432 9.812 ( -1.335 -3.729 0.280) 3.971 9.812 ( -1.335 3.729 0.280) 3.971 10.221 ( -1.196 -2.948 0.550) 3.228 10.221 ( -1.196 2.948 0.550) 3.228 10.449 ( 4.704 -2.382 -2.434) 5.808 10.449 ( 4.704 2.382 -2.434) 5.808 10.600 ( -2.173 -4.828 5.074) 7.333 10.600 ( -2.173 4.828 5.074) 7.333 10.793 ( -5.011 -1.592 3.589) 6.366 10.793 ( -5.011 1.592 3.589) 6.366 10.963 ( 1.498 -3.342 2.469) 4.417 10.963 ( 1.498 3.342 2.469) 4.417 11.110 ( 1.468 -3.805 4.100) 5.783 11.110 ( 1.468 3.805 4.100) 5.783 11.240 ( 1.953 -1.563 -4.309) 4.982 11.240 ( 1.953 1.563 -4.309) 4.982 11.937 ( 5.711 -4.160 5.044) 8.682 11.937 ( 5.711 4.160 5.044) 8.682 12.240 ( 0.872 -0.756 0.255) 1.182 12.240 ( 0.872 0.756 0.255) 1.182 12.399 ( 4.506 -1.440 -0.504) 4.757 12.399 ( 4.506 1.440 -0.504) 4.757 12.680 ( 4.461 -2.010 -4.247) 6.479 12.680 ( 4.461 2.010 -4.247) 6.479 12.811 ( -2.072 -0.899 -1.729) 2.844 12.811 ( -2.072 0.899 -1.729) 2.844 12.966 ( 0.273 -1.006 -0.621) 1.213 12.966 ( 0.273 1.006 -0.621) 1.213 13.227 ( -0.079 -5.429 2.964) 6.186 13.227 ( -0.079 5.429 2.964) 6.186 13.442 ( 0.037 -2.420 0.673) 2.512 13.442 ( 0.037 2.420 0.673) 2.512 13.596 ( 1.254 -3.161 -1.024) 3.552 13.596 ( 1.254 3.161 -1.024) 3.552 13.753 ( 2.198 -4.445 1.366) 5.143 13.753 ( 2.198 4.445 1.366) 5.143 13.861 ( 0.840 -2.735 -4.864) 5.643 13.861 ( 0.840 2.735 -4.864) 5.643 14.166 ( 0.329 -2.604 -1.332) 2.943 14.166 ( 0.329 2.604 -1.332) 2.943 14.375 ( -0.613 -0.935 -0.527) 1.236 14.375 ( -0.613 0.935 -0.527) 1.236 14.807 ( -1.428 -2.091 -0.753) 2.642 14.807 ( -1.428 2.091 -0.753) 2.642 15.115 ( 0.480 -1.513 2.360) 2.844 15.115 ( 0.480 1.513 2.360) 2.844 15.374 ( -0.701 -4.067 -1.294) 4.325 15.374 ( -0.701 4.067 -1.294) 4.325 15.760 ( 0.283 -0.466 3.398) 3.442 15.760 ( 0.283 0.466 3.398) 3.442 ======================= Grid point 197 (112/117) ======================= q-point: ( 0.45 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.490 ( 3.842 -3.423 -7.552) 9.139 4.490 ( 3.842 3.423 -7.552) 9.139 4.751 ( 7.231 -2.589 -3.049) 8.263 4.751 ( 7.231 2.589 -3.049) 8.263 5.148 ( 17.328 -6.944 0.449) 18.673 5.148 ( 17.328 6.944 0.449) 18.673 5.454 ( -0.215 -5.569 0.270) 5.580 5.454 ( -0.215 5.569 0.270) 5.580 5.580 ( 4.059 -8.350 4.771) 10.439 5.580 ( 4.059 8.350 4.771) 10.439 5.766 ( -1.106 -5.084 5.776) 7.774 5.766 ( -1.106 5.084 5.776) 7.774 5.889 ( 4.169 -6.680 3.231) 8.511 5.889 ( 4.169 6.680 3.231) 8.511 6.084 ( -5.567 -3.679 1.737) 6.895 6.084 ( -5.567 3.679 1.737) 6.895 6.302 ( 11.784 -3.586 4.891) 13.253 6.302 ( 11.784 3.586 4.891) 13.253 6.764 ( -1.386 -5.126 2.360) 5.811 6.764 ( -1.386 5.126 2.360) 5.811 7.007 ( 0.351 -4.137 -0.529) 4.186 7.007 ( 0.351 4.137 -0.529) 4.186 7.289 ( -17.424 -12.738 -15.831) 26.767 7.289 ( -17.424 12.738 -15.831) 26.767 7.717 ( -7.645 -11.611 -5.834) 15.076 7.717 ( -7.645 11.611 -5.834) 15.076 7.936 ( -0.850 -6.393 -2.414) 6.886 7.936 ( -0.850 6.393 -2.414) 6.886 8.215 ( -7.969 -3.182 -3.598) 9.305 8.215 ( -7.969 3.182 -3.598) 9.305 8.406 ( 3.047 -6.175 7.045) 9.852 8.406 ( 3.047 6.175 7.045) 9.852 8.859 ( -6.057 -5.549 0.445) 8.226 8.859 ( -6.057 5.549 0.445) 8.226 9.282 ( 0.448 -2.853 -3.137) 4.264 9.282 ( 0.448 2.853 -3.137) 4.264 9.432 ( 0.715 -2.214 -1.802) 2.943 9.432 ( 0.715 2.214 -1.802) 2.943 9.572 ( 6.047 -7.703 5.183) 11.080 9.572 ( 6.047 7.703 5.183) 11.080 9.759 ( -4.048 -6.125 2.572) 7.779 9.759 ( -4.048 6.125 2.572) 7.779 10.225 ( 1.229 -1.991 0.741) 2.454 10.225 ( 1.229 1.991 0.741) 2.454 10.471 ( -2.137 -2.727 -0.768) 3.549 10.471 ( -2.137 2.727 -0.768) 3.549 10.616 ( 1.575 -1.946 4.558) 5.200 10.616 ( 1.575 1.946 4.558) 5.200 10.713 ( -2.969 -0.393 1.188) 3.222 10.713 ( -2.969 0.393 1.188) 3.222 11.010 ( 2.046 -3.923 1.064) 4.551 11.010 ( 2.046 3.923 1.064) 4.551 11.148 ( 0.500 -4.428 4.483) 6.321 11.148 ( 0.500 4.428 4.483) 6.321 11.272 ( 2.685 -0.565 -6.047) 6.640 11.272 ( 2.685 0.565 -6.047) 6.640 12.064 ( 4.651 -3.726 5.222) 7.923 12.064 ( 4.651 3.726 5.222) 7.923 12.230 ( -1.293 -0.572 -1.780) 2.273 12.230 ( -1.293 0.572 -1.780) 2.273 12.478 ( 2.828 -0.447 0.824) 2.979 12.478 ( 2.828 0.447 0.824) 2.979 12.712 ( -0.531 -1.436 -1.616) 2.226 12.712 ( -0.531 1.436 -1.616) 2.226 12.745 ( -2.540 -0.911 -2.714) 3.827 12.745 ( -2.540 0.911 -2.714) 3.827 12.980 ( 0.973 -0.353 -0.327) 1.086 12.980 ( 0.973 0.353 -0.327) 1.086 13.234 ( -0.214 -3.778 2.053) 4.305 13.234 ( -0.214 3.778 2.053) 4.305 13.459 ( 1.229 -2.001 2.570) 3.481 13.459 ( 1.229 2.001 2.570) 3.481 13.588 ( -1.088 -2.341 -2.715) 3.747 13.588 ( -1.088 2.341 -2.715) 3.747 13.781 ( -0.204 -3.216 2.181) 3.891 13.781 ( -0.204 3.216 2.181) 3.891 13.866 ( 1.753 -3.145 -4.958) 6.128 13.866 ( 1.753 3.145 -4.958) 6.128 14.161 ( -0.206 -1.376 -1.513) 2.055 14.161 ( -0.206 1.376 -1.513) 2.055 14.364 ( -0.274 -0.448 -0.189) 0.558 14.364 ( -0.274 0.448 -0.189) 0.558 14.786 ( -0.262 -1.263 -1.126) 1.712 14.786 ( -0.262 1.263 -1.126) 1.712 15.144 ( 1.306 -1.161 1.775) 2.491 15.144 ( 1.306 1.161 1.775) 2.491 15.355 ( -0.759 -2.918 -1.130) 3.220 15.355 ( -0.759 2.918 -1.130) 3.220 15.778 ( 0.361 -0.282 2.418) 2.461 15.778 ( 0.361 0.282 2.418) 2.461 ======================= Grid point 199 (113/117) ======================= q-point: (-0.45 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.446 ( -6.712 -4.444 -3.812) 8.907 4.446 ( -6.712 4.444 -3.812) 8.907 4.811 ( 0.509 -1.884 -8.171) 8.401 4.811 ( 0.509 1.884 -8.171) 8.401 5.119 ( -19.861 -3.919 4.005) 20.636 5.119 ( -19.861 3.919 4.005) 20.636 5.522 ( 6.499 -3.695 -6.418) 9.853 5.522 ( 6.499 3.695 -6.418) 9.853 5.639 ( 3.646 -3.679 -0.045) 5.179 5.639 ( 3.646 3.679 -0.045) 5.179 5.791 ( 7.702 -4.139 -1.479) 8.868 5.791 ( 7.702 4.139 -1.479) 8.868 5.908 ( -0.250 -6.740 0.535) 6.766 5.908 ( -0.250 6.740 0.535) 6.766 6.203 ( 10.438 -6.809 -5.381) 13.575 6.203 ( 10.438 6.809 -5.381) 13.575 6.497 ( -14.574 -7.287 -6.606) 17.582 6.497 ( -14.574 7.287 -6.606) 17.582 6.690 ( 12.403 -6.052 7.364) 15.643 6.690 ( 12.403 6.052 7.364) 15.643 7.024 ( 5.868 -3.164 -3.916) 7.732 7.024 ( 5.868 3.164 -3.916) 7.732 7.158 ( -3.274 -6.432 -4.908) 8.728 7.158 ( -3.274 6.432 -4.908) 8.728 7.560 ( 3.662 -5.500 7.360) 9.891 7.560 ( 3.662 5.500 7.360) 9.891 7.883 ( -8.858 -8.944 2.967) 12.933 7.883 ( -8.858 8.944 2.967) 12.933 8.142 ( 2.277 -9.855 2.983) 10.546 8.142 ( 2.277 9.855 2.983) 10.546 8.437 ( -1.059 -4.042 5.622) 7.005 8.437 ( -1.059 4.042 5.622) 7.005 8.842 ( 3.347 -2.528 0.719) 4.255 8.842 ( 3.347 2.528 0.719) 4.255 9.244 ( -4.166 -3.848 0.007) 5.671 9.244 ( -4.166 3.848 0.007) 5.671 9.400 ( -2.347 -4.699 1.361) 5.426 9.400 ( -2.347 4.699 1.361) 5.426 9.593 ( -4.997 -1.997 1.661) 5.632 9.593 ( -4.997 1.997 1.661) 5.632 9.807 ( 6.455 -5.170 0.174) 8.272 9.807 ( 6.455 5.170 0.174) 8.272 10.237 ( -1.350 -3.752 1.629) 4.308 10.237 ( -1.350 3.752 1.629) 4.308 10.419 ( -2.298 -4.030 1.836) 4.989 10.419 ( -2.298 4.030 1.836) 4.990 10.618 ( -1.201 -1.774 2.888) 3.596 10.618 ( -1.201 1.774 2.888) 3.596 10.738 ( 3.625 -2.527 -0.610) 4.461 10.738 ( 3.625 2.527 -0.610) 4.461 11.042 ( 1.140 -4.006 -1.616) 4.467 11.042 ( 1.140 4.006 -1.616) 4.467 11.162 ( -0.777 -4.605 3.859) 6.059 11.162 ( -0.777 4.605 3.859) 6.059 11.285 ( 1.224 -1.483 -7.225) 7.477 11.285 ( 1.224 1.483 -7.225) 7.477 12.145 ( 0.331 -1.598 1.263) 2.064 12.145 ( 0.331 1.598 1.263) 2.064 12.185 ( -1.242 -1.529 -0.920) 2.175 12.185 ( -1.242 1.529 -0.920) 2.175 12.490 ( -2.245 -1.870 -0.280) 2.935 12.490 ( -2.245 1.870 -0.280) 2.935 12.668 ( -2.960 -2.054 2.125) 4.183 12.668 ( -2.960 2.054 2.125) 4.183 12.711 ( -0.367 -2.968 0.661) 3.062 12.711 ( -0.367 2.968 0.661) 3.062 12.989 ( 0.066 -1.736 -1.187) 2.104 12.989 ( 0.066 1.736 -1.187) 2.104 13.237 ( -0.119 -1.613 1.508) 2.211 13.237 ( -0.119 1.613 1.508) 2.211 13.498 ( 0.576 -1.613 1.395) 2.209 13.498 ( 0.576 1.613 1.395) 2.209 13.551 ( -0.543 -0.874 -1.599) 1.901 13.551 ( -0.543 0.874 -1.599) 1.901 13.773 ( -1.305 -3.113 2.581) 4.249 13.773 ( -1.305 3.113 2.581) 4.249 13.878 ( 1.200 -1.885 -5.735) 6.155 13.878 ( 1.200 1.885 -5.735) 6.155 14.148 ( -0.622 -0.813 -0.305) 1.068 14.148 ( -0.622 0.813 -0.305) 1.068 14.364 ( 0.270 -0.226 -0.128) 0.374 14.364 ( 0.270 0.226 -0.128) 0.374 14.788 ( 0.962 -0.090 -1.274) 1.599 14.788 ( 0.962 0.090 -1.274) 1.599 15.169 ( 0.613 -0.610 -0.269) 0.906 15.169 ( 0.613 0.610 -0.269) 0.906 15.340 ( -0.394 -0.973 0.185) 1.066 15.340 ( -0.394 0.973 0.185) 1.066 15.791 ( 0.155 -0.344 1.196) 1.254 15.791 ( 0.155 0.344 1.196) 1.254 ======================= Grid point 201 (114/117) ======================= q-point: (-0.36 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.187 ( -18.554 -7.361 4.599) 20.483 4.187 ( -18.554 7.361 4.599) 20.483 4.521 ( -27.198 -9.078 10.204) 30.434 4.521 ( -27.198 9.078 10.204) 30.434 4.919 ( 2.879 -3.201 -17.086) 17.620 4.919 ( 2.879 3.201 -17.086) 17.620 5.484 ( -1.483 -2.409 -12.712) 13.023 5.484 ( -1.483 2.409 -12.712) 13.023 5.711 ( -8.399 -0.899 -14.633) 16.896 5.711 ( -8.399 0.899 -14.633) 16.896 5.837 ( 7.951 -2.977 -0.043) 8.490 5.837 ( 7.951 2.977 -0.043) 8.490 6.037 ( 6.242 -11.364 -6.693) 14.591 6.037 ( 6.242 11.364 -6.693) 14.591 6.237 ( 2.910 -11.804 -8.832) 15.027 6.237 ( 2.910 11.804 -8.832) 15.027 6.403 ( 7.954 -2.906 -5.494) 10.094 6.403 ( 7.954 2.906 -5.494) 10.094 6.671 ( -8.043 -15.560 -1.283) 17.562 6.671 ( -8.043 15.560 -1.283) 17.562 7.102 ( -4.004 -4.634 6.251) 8.751 7.102 ( -4.004 4.634 6.251) 8.751 7.400 ( 17.450 -13.018 16.050) 27.048 7.400 ( 17.450 13.018 16.050) 27.048 7.508 ( -3.949 -6.826 5.197) 9.445 7.508 ( -3.949 6.826 5.197) 9.445 7.975 ( 10.763 -6.844 6.673) 14.395 7.975 ( 10.763 6.844 6.673) 14.395 8.262 ( 6.362 -14.498 5.347) 16.711 8.262 ( 6.362 14.498 5.347) 16.711 8.450 ( 1.709 -5.641 2.571) 6.430 8.450 ( 1.709 5.641 2.571) 6.430 8.913 ( 1.402 -6.172 3.191) 7.088 8.913 ( 1.402 6.172 3.191) 7.088 9.128 ( -7.169 -7.055 4.244) 10.917 9.128 ( -7.169 7.055 4.244) 10.917 9.381 ( -0.628 -7.609 1.948) 7.879 9.381 ( -0.628 7.609 1.948) 7.879 9.514 ( -2.073 -6.095 0.213) 6.442 9.514 ( -2.073 6.095 0.213) 6.442 9.865 ( 0.075 -9.586 -3.871) 10.339 9.865 ( 0.075 9.586 -3.871) 10.339 10.215 ( -0.882 -7.773 3.858) 8.723 10.215 ( -0.882 7.773 3.858) 8.723 10.386 ( -1.822 -2.065 -0.294) 2.769 10.386 ( -1.822 2.065 -0.294) 2.769 10.643 ( 2.566 -3.869 0.689) 4.694 10.643 ( 2.566 3.869 0.689) 4.694 10.803 ( 2.997 -4.034 0.533) 5.054 10.803 ( 2.997 4.034 0.533) 5.054 11.039 ( -0.519 -4.316 -3.766) 5.751 11.039 ( -0.519 4.316 -3.766) 5.751 11.153 ( -1.242 -4.182 3.241) 5.435 11.153 ( -1.242 4.182 3.241) 5.435 11.264 ( -0.117 -2.478 -7.502) 7.902 11.264 ( -0.117 2.478 -7.502) 7.902 12.052 ( -6.078 -2.371 -5.223) 8.357 12.052 ( -6.078 2.371 -5.223) 8.357 12.206 ( 0.359 -0.323 3.460) 3.494 12.206 ( 0.359 0.323 3.460) 3.494 12.401 ( -5.847 -2.745 -1.051) 6.544 12.401 ( -5.847 2.745 -1.051) 6.544 12.606 ( -4.157 -2.009 2.859) 5.431 12.606 ( -4.157 2.009 2.859) 5.431 12.743 ( 1.790 -1.811 4.381) 5.067 12.743 ( 1.790 1.811 4.381) 5.067 12.973 ( -1.047 -2.957 -1.274) 3.386 12.973 ( -1.047 2.957 -1.274) 3.386 13.241 ( -0.165 -1.787 1.288) 2.208 13.241 ( -0.165 1.787 1.288) 2.208 13.471 ( -1.621 -0.275 -2.132) 2.693 13.471 ( -1.621 0.275 -2.132) 2.693 13.567 ( 0.277 -2.656 1.882) 3.267 13.567 ( 0.277 2.656 1.882) 3.267 13.756 ( -1.378 -3.392 2.583) 4.481 13.756 ( -1.378 3.392 2.583) 4.481 13.859 ( -0.544 -1.414 -6.600) 6.772 13.859 ( -0.544 1.414 -6.600) 6.772 14.138 ( -0.648 -2.861 1.420) 3.259 14.138 ( -0.648 2.861 1.420) 3.259 14.372 ( 0.515 -1.003 -0.092) 1.131 14.372 ( 0.515 1.003 -0.092) 1.131 14.813 ( 1.918 -1.397 -1.147) 2.635 14.813 ( 1.918 1.397 -1.147) 2.635 15.168 ( 0.115 -0.356 -2.274) 2.305 15.168 ( 0.115 0.356 -2.274) 2.305 15.346 ( 0.644 -1.322 1.371) 2.010 15.346 ( 0.644 1.322 1.371) 2.010 15.793 ( -0.297 -0.721 0.276) 0.828 15.793 ( -0.297 0.721 0.276) 0.828 ======================= Grid point 203 (115/117) ======================= q-point: (-0.27 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( -22.730 -13.309 13.541) 29.617 3.798 ( -22.730 13.309 13.541) 29.617 4.063 ( -22.971 -12.412 22.318) 34.348 4.063 ( -22.971 12.412 22.318) 34.348 4.924 ( 5.431 -2.334 -27.095) 27.732 4.924 ( 5.431 2.334 -27.095) 27.732 5.320 ( -12.637 -2.329 -27.339) 30.208 5.320 ( -12.637 2.329 -27.339) 30.208 5.468 ( 0.421 -6.870 -10.470) 12.530 5.468 ( 0.421 6.870 -10.470) 12.530 5.938 ( -3.264 -28.745 -6.362) 29.621 5.938 ( -3.264 28.745 -6.362) 29.621 6.143 ( 9.172 -5.161 -5.081) 11.687 6.143 ( 9.172 5.161 -5.081) 11.687 6.204 ( -2.431 -2.889 -9.561) 10.280 6.204 ( -2.431 2.889 -9.561) 10.280 6.538 ( 9.028 -1.674 3.476) 9.818 6.538 ( 9.028 1.674 3.476) 9.818 6.692 ( -9.277 -20.963 15.743) 27.809 6.692 ( -9.277 20.963 15.743) 27.809 6.894 ( 0.701 -9.306 7.584) 12.025 6.894 ( 0.701 9.306 7.584) 12.025 7.650 ( 13.551 -5.347 -3.388) 14.956 7.650 ( 13.551 5.347 -3.388) 14.956 7.776 ( 8.693 -11.194 12.864) 19.141 7.776 ( 8.693 11.194 12.864) 19.141 8.137 ( 4.647 -7.939 0.308) 9.204 8.137 ( 4.647 7.939 0.308) 9.204 8.280 ( -2.597 -5.448 -4.208) 7.358 8.280 ( -2.597 5.448 -4.208) 7.358 8.595 ( 7.141 -10.719 9.178) 15.815 8.595 ( 7.141 10.719 9.178) 15.815 8.906 ( -3.331 -10.252 3.325) 11.281 8.906 ( -3.331 10.252 3.325) 11.281 9.010 ( -8.292 -2.257 10.071) 13.239 9.010 ( -8.292 2.257 10.071) 13.239 9.386 ( 0.463 -9.445 -0.590) 9.475 9.386 ( 0.463 9.445 -0.590) 9.475 9.534 ( 4.448 -7.885 0.357) 9.061 9.534 ( 4.448 7.885 0.357) 9.061 9.862 ( 2.830 -7.157 -1.249) 7.797 9.862 ( 2.830 7.157 -1.249) 7.797 10.224 ( -0.739 -9.458 5.402) 10.917 10.224 ( -0.739 9.458 5.402) 10.917 10.344 ( -1.110 -1.371 -3.947) 4.323 10.344 ( -1.110 1.371 -3.947) 4.323 10.692 ( 1.815 -5.004 -0.868) 5.394 10.692 ( 1.815 5.004 -0.868) 5.394 10.874 ( 3.835 -5.421 1.123) 6.735 10.874 ( 3.835 5.421 1.123) 6.735 10.983 ( -3.377 -4.472 -4.117) 6.954 10.983 ( -3.377 4.472 -4.117) 6.954 11.148 ( -0.500 -2.829 0.245) 2.883 11.148 ( -0.500 2.829 0.245) 2.883 11.238 ( 0.930 -2.915 -4.237) 5.226 11.238 ( 0.930 2.915 -4.237) 5.226 11.896 ( -7.110 -3.350 -3.617) 8.652 11.896 ( -7.110 3.350 -3.617) 8.652 12.210 ( -1.064 -0.790 0.380) 1.378 12.210 ( -1.064 0.790 0.380) 1.378 12.272 ( -6.326 -3.269 0.733) 7.158 12.272 ( -6.326 3.269 0.733) 7.158 12.526 ( -4.873 -2.869 1.701) 5.905 12.526 ( -4.873 2.869 1.701) 5.905 12.793 ( 0.978 -1.748 4.108) 4.570 12.793 ( 0.978 1.748 4.108) 4.570 12.945 ( -1.273 -2.955 0.232) 3.226 12.945 ( -1.273 2.955 0.232) 3.226 13.236 ( -0.886 -3.090 1.035) 3.377 13.236 ( -0.886 3.090 1.035) 3.377 13.432 ( -1.881 -1.299 -0.875) 2.448 13.432 ( -1.881 1.299 -0.875) 2.448 13.549 ( -2.591 -2.514 0.830) 3.704 13.549 ( -2.591 2.514 0.830) 3.704 13.733 ( -1.531 -3.561 -1.296) 4.087 13.733 ( -1.531 3.561 -1.296) 4.087 13.819 ( -0.986 -2.360 -3.183) 4.083 13.819 ( -0.986 2.360 -3.183) 4.083 14.131 ( -0.865 -4.152 2.521) 4.934 14.131 ( -0.865 4.152 2.521) 4.934 14.387 ( 1.193 -1.891 -0.122) 2.239 14.387 ( 1.193 1.891 -0.122) 2.239 14.850 ( 2.002 -2.157 -0.671) 3.019 14.850 ( 2.002 2.157 -0.671) 3.019 15.166 ( 0.867 -0.880 -2.875) 3.129 15.166 ( 0.867 0.880 -2.875) 3.129 15.374 ( 1.650 -2.083 1.581) 3.092 15.374 ( 1.650 2.083 1.581) 3.092 15.782 ( -0.779 -1.157 -0.174) 1.406 15.782 ( -0.779 1.157 -0.174) 1.406 ======================= Grid point 205 (116/117) ======================= q-point: (-0.18 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( -18.821 -16.762 24.377) 35.063 3.449 ( -18.821 16.762 24.377) 35.063 3.836 ( -10.819 -21.738 33.357) 41.259 3.836 ( -10.819 21.738 33.357) 41.259 4.853 ( -4.408 -3.653 -30.698) 31.227 4.853 ( -4.408 3.653 -30.698) 31.227 5.022 ( 0.974 -2.157 -39.867) 39.937 5.022 ( 0.974 2.157 -39.867) 39.937 5.478 ( 1.965 -11.578 -4.099) 12.438 5.478 ( 1.965 11.578 -4.099) 12.438 5.756 ( -8.835 -27.363 -9.251) 30.205 5.756 ( -8.835 27.363 -9.251) 30.205 6.100 ( -11.221 -11.960 11.810) 20.210 6.100 ( -11.221 11.960 11.810) 20.210 6.154 ( -10.955 -22.851 21.906) 33.497 6.154 ( -10.955 22.851 21.906) 33.497 6.623 ( 12.587 -11.209 -9.282) 19.241 6.623 ( 12.587 11.209 -9.282) 19.241 6.767 ( 9.473 -1.740 1.191) 9.705 6.767 ( 9.473 1.740 1.191) 9.705 7.151 ( 14.473 -11.287 1.738) 18.436 7.151 ( 14.473 11.287 1.738) 18.436 7.737 ( -9.032 -13.158 -12.037) 19.989 7.737 ( -9.032 13.158 -12.037) 19.989 7.877 ( 5.836 -1.159 -1.469) 6.129 7.877 ( 5.836 1.159 -1.469) 6.129 8.157 ( 1.544 -11.332 -4.423) 12.262 8.157 ( 1.544 11.332 -4.423) 12.262 8.354 ( 8.146 -14.847 6.549) 18.157 8.354 ( 8.146 14.847 6.549) 18.157 8.721 ( 0.218 -12.665 10.000) 16.138 8.721 ( 0.218 12.665 10.000) 16.138 8.812 ( -7.034 -6.430 4.117) 10.382 8.812 ( -7.034 6.430 4.117) 10.382 8.885 ( -6.144 -5.540 11.087) 13.833 8.885 ( -6.144 5.540 11.087) 13.833 9.359 ( -1.522 -7.774 -4.855) 9.291 9.359 ( -1.522 7.774 -4.855) 9.291 9.671 ( 6.383 -7.166 -1.181) 9.669 9.671 ( 6.383 7.166 -1.181) 9.669 9.960 ( 4.347 -1.404 2.473) 5.195 9.960 ( 4.347 1.404 2.473) 5.195 10.227 ( 0.172 -7.751 5.386) 9.440 10.227 ( 0.172 7.751 5.386) 9.440 10.342 ( 2.950 -1.528 -3.449) 4.789 10.342 ( 2.950 1.528 -3.449) 4.789 10.698 ( -0.385 -4.711 -3.204) 5.711 10.698 ( -0.385 4.711 -3.204) 5.711 10.867 ( -4.954 -6.176 -1.535) 8.065 10.867 ( -4.954 6.176 -1.535) 8.065 10.976 ( 3.669 -3.391 -0.183) 4.999 10.976 ( 3.669 3.391 -0.183) 4.999 11.113 ( -1.355 -0.245 -3.636) 3.888 11.113 ( -1.355 0.245 -3.636) 3.888 11.301 ( 5.269 -1.768 2.529) 6.106 11.301 ( 5.269 1.768 2.529) 6.106 11.766 ( -4.390 -3.847 -1.027) 5.927 11.766 ( -4.390 3.847 -1.027) 5.927 12.132 ( -4.974 -1.957 -2.618) 5.951 12.132 ( -4.974 1.957 -2.618) 5.951 12.203 ( -2.340 -2.162 2.517) 4.060 12.203 ( -2.340 2.162 2.517) 4.060 12.430 ( -4.725 -2.902 -0.135) 5.547 12.430 ( -4.725 2.902 -0.135) 5.547 12.797 ( -1.607 -4.379 0.575) 4.700 12.797 ( -1.607 4.379 0.575) 4.700 12.935 ( -0.482 -1.542 3.721) 4.056 12.935 ( -0.482 1.542 3.721) 4.056 13.212 ( -1.962 -3.172 1.211) 3.921 13.212 ( -1.962 3.172 1.211) 3.921 13.387 ( -2.318 -2.532 -0.054) 3.433 13.387 ( -2.318 2.532 -0.054) 3.433 13.486 ( -3.235 -1.959 -0.500) 3.815 13.486 ( -3.235 1.959 -0.500) 3.815 13.685 ( -1.688 -4.956 -4.786) 7.093 13.685 ( -1.688 4.956 -4.786) 7.093 13.797 ( -0.939 -2.721 -0.120) 2.881 13.797 ( -0.939 2.721 -0.120) 2.881 14.125 ( -0.723 -4.876 3.175) 5.864 14.125 ( -0.723 4.876 3.175) 5.864 14.420 ( 2.037 -2.217 -0.053) 3.012 14.420 ( 2.037 2.217 -0.053) 3.012 14.883 ( 1.372 -2.025 0.075) 2.447 14.883 ( 1.372 2.025 0.075) 2.447 15.175 ( 0.985 -0.950 -2.919) 3.224 15.175 ( 0.985 0.950 -2.919) 3.224 15.425 ( 2.602 -1.183 1.965) 3.469 15.425 ( 2.602 1.183 1.965) 3.469 15.761 ( -1.242 -1.488 -0.364) 1.972 15.761 ( -1.242 1.488 -0.364) 1.972 ======================= Grid point 207 (117/117) ======================= q-point: (-0.09 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -9.842 -13.324 36.336) 39.934 3.281 ( -9.842 13.324 36.336) 39.934 3.870 ( -2.080 -25.624 37.838) 45.745 3.870 ( -2.080 25.624 37.838) 45.745 4.578 ( -6.059 -3.524 -39.346) 39.965 4.578 ( -6.059 3.524 -39.346) 39.965 4.962 ( 5.534 -10.260 -38.095) 39.839 4.962 ( 5.534 10.260 -38.095) 39.839 5.483 ( -1.867 -17.750 3.905) 18.270 5.483 ( -1.867 17.750 3.905) 18.270 5.568 ( -7.981 -23.110 3.944) 24.765 5.568 ( -7.981 23.110 3.944) 24.765 5.864 ( -12.575 -15.506 27.134) 33.688 5.864 ( -12.575 15.506 27.134) 33.688 6.170 ( 1.895 -22.502 7.648) 23.841 6.170 ( 1.895 22.502 7.648) 23.841 6.826 ( 9.091 -11.787 -11.921) 19.071 6.826 ( 9.091 11.787 -11.921) 19.071 6.908 ( 3.313 -2.473 -12.490) 13.156 6.908 ( 3.313 2.473 -12.490) 13.156 7.335 ( 3.991 -5.209 -8.720) 10.913 7.335 ( 3.991 5.209 -8.720) 10.913 7.547 ( -1.003 -0.718 -5.835) 5.964 7.547 ( -1.003 0.718 -5.835) 5.964 7.897 ( 0.066 -4.735 1.610) 5.002 7.897 ( 0.066 4.735 1.610) 5.002 8.190 ( 1.043 -10.417 -4.096) 11.242 8.190 ( 1.043 10.417 -4.096) 11.242 8.490 ( -2.026 -13.248 1.323) 13.467 8.490 ( -2.026 13.248 1.323) 13.467 8.683 ( -1.614 -5.311 10.965) 12.290 8.683 ( -1.614 5.311 10.965) 12.290 8.726 ( -0.633 -3.422 7.097) 7.905 8.726 ( -0.633 3.422 7.097) 7.905 8.931 ( 3.250 -6.540 9.481) 11.967 8.931 ( 3.250 6.540 9.481) 11.967 9.298 ( -2.146 -8.643 -7.312) 11.523 9.298 ( -2.146 8.643 -7.312) 11.523 9.716 ( -0.688 -3.088 -2.850) 4.258 9.716 ( -0.688 3.088 -2.850) 4.258 9.993 ( -0.451 -6.802 -0.318) 6.824 9.993 ( -0.451 6.802 -0.318) 6.824 10.289 ( 2.427 -2.360 3.969) 5.217 10.289 ( 2.427 2.360 3.969) 5.217 10.423 ( 3.957 -1.022 0.867) 4.178 10.423 ( 3.957 1.022 0.867) 4.178 10.666 ( -0.268 -5.775 -4.245) 7.172 10.666 ( -0.268 5.775 -4.245) 7.172 10.775 ( -3.239 -4.097 -0.506) 5.248 10.775 ( -3.239 4.097 -0.506) 5.248 11.003 ( -0.040 -3.006 -1.416) 3.323 11.003 ( -0.040 3.006 -1.416) 3.323 11.101 ( 0.846 -0.455 -2.419) 2.603 11.101 ( 0.846 0.455 -2.419) 2.603 11.443 ( 6.745 -1.756 4.539) 8.317 11.443 ( 6.745 1.756 4.539) 8.317 11.726 ( 0.020 -2.786 1.309) 3.079 11.726 ( 0.020 2.786 1.309) 3.079 12.028 ( -4.556 -2.956 -1.440) 5.619 12.028 ( -4.556 2.956 -1.440) 5.619 12.174 ( -0.901 -1.498 1.282) 2.168 12.174 ( -0.901 1.498 1.282) 2.168 12.350 ( -2.510 -1.575 -2.467) 3.856 12.350 ( -2.510 1.575 -2.467) 3.856 12.750 ( -2.329 -3.755 -1.048) 4.542 12.750 ( -2.329 3.755 -1.048) 4.542 12.942 ( -0.741 -2.349 4.009) 4.705 12.942 ( -0.741 2.349 4.009) 4.705 13.181 ( -1.269 -2.466 1.989) 3.413 13.181 ( -1.269 2.466 1.989) 3.413 13.341 ( -2.328 -3.124 -0.775) 3.972 13.341 ( -2.328 3.124 -0.775) 3.972 13.432 ( -1.692 -0.594 -0.813) 1.969 13.432 ( -1.692 0.594 -0.813) 1.969 13.642 ( -0.502 -5.617 -4.811) 7.413 13.642 ( -0.502 5.617 -4.811) 7.413 13.773 ( -1.186 -2.612 -0.365) 2.892 13.773 ( -1.186 2.612 -0.365) 2.892 14.131 ( -0.054 -4.539 3.385) 5.662 14.131 ( -0.054 4.539 3.385) 5.662 14.458 ( 1.528 -2.016 0.056) 2.530 14.458 ( 1.528 2.016 0.056) 2.530 14.904 ( 0.586 -1.066 0.900) 1.513 14.904 ( 0.586 1.066 0.900) 1.513 15.176 ( 0.250 -0.194 -2.585) 2.605 15.176 ( 0.250 0.194 -2.585) 2.605 15.487 ( 2.502 -0.489 2.458) 3.541 15.487 ( 2.502 0.489 2.458) 3.541 15.730 ( -1.638 -1.486 -0.340) 2.238 15.730 ( -1.638 1.486 -0.340) 2.238 =================== 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 3/27720 10.0 5911.881 10899.723 3427.175 0.000 375.644 0.000 3/27720 20.0 5819.236 6838.875 6917.303 0.000 -107.367 0.000 3/27720 30.0 2949.804 3157.883 3391.015 0.000 -43.937 0.000 3/27720 40.0 1516.474 1545.542 1661.771 0.000 -11.761 0.000 3/27720 50.0 856.116 852.221 915.169 0.000 -3.974 0.000 3/27720 60.0 528.931 521.735 559.461 0.000 -1.957 0.000 3/27720 70.0 353.582 347.600 372.793 0.000 -1.204 0.000 3/27720 80.0 252.474 247.866 266.264 0.000 -0.818 0.000 3/27720 90.0 190.197 186.604 200.949 0.000 -0.586 0.000 3/27720 100.0 149.574 146.693 158.410 0.000 -0.436 0.000 3/27720 110.0 121.747 119.372 129.269 0.000 -0.336 0.000 3/27720 120.0 101.881 99.874 108.444 0.000 -0.265 0.000 3/27720 130.0 87.191 85.461 93.025 0.000 -0.214 0.000 3/27720 140.0 76.001 74.482 81.258 0.000 -0.177 0.000 3/27720 150.0 67.255 65.903 72.046 0.000 -0.148 0.000 3/27720 160.0 60.268 59.051 64.673 0.000 -0.126 0.000 3/27720 170.0 54.579 53.471 58.659 0.000 -0.108 0.000 3/27720 180.0 49.869 48.853 53.672 0.000 -0.094 0.000 3/27720 190.0 45.913 44.974 49.477 0.000 -0.082 0.000 3/27720 200.0 42.548 41.675 45.902 0.000 -0.073 0.000 3/27720 210.0 39.653 38.836 42.822 0.000 -0.065 0.000 3/27720 220.0 37.137 36.370 40.142 0.000 -0.058 0.000 3/27720 230.0 34.931 34.208 37.789 0.000 -0.052 0.000 3/27720 240.0 32.981 32.297 35.706 0.000 -0.048 0.000 3/27720 250.0 31.246 30.596 33.851 0.000 -0.043 0.000 3/27720 260.0 29.691 29.073 32.187 0.000 -0.040 0.000 3/27720 270.0 28.290 27.700 30.686 0.000 -0.036 0.000 3/27720 280.0 27.021 26.457 29.325 0.000 -0.034 0.000 3/27720 290.0 25.866 25.325 28.085 0.000 -0.031 0.000 3/27720 300.0 24.810 24.290 26.950 0.000 -0.029 0.000 3/27720 310.0 23.841 23.340 25.907 0.000 -0.027 0.000 3/27720 320.0 22.948 22.465 24.946 0.000 -0.025 0.000 3/27720 330.0 22.122 21.657 24.057 0.000 -0.023 0.000 3/27720 340.0 21.356 20.906 23.232 0.000 -0.022 0.000 3/27720 350.0 20.644 20.209 22.463 0.000 -0.021 0.000 3/27720 360.0 19.980 19.558 21.747 0.000 -0.020 0.000 3/27720 370.0 19.358 18.950 21.076 0.000 -0.018 0.000 3/27720 380.0 18.776 18.380 20.447 0.000 -0.017 0.000 3/27720 390.0 18.230 17.844 19.856 0.000 -0.017 0.000 3/27720 400.0 17.715 17.340 19.300 0.000 -0.016 0.000 3/27720 410.0 17.230 16.865 18.775 0.000 -0.015 0.000 3/27720 420.0 16.772 16.417 18.279 0.000 -0.014 0.000 3/27720 430.0 16.338 15.992 17.809 0.000 -0.014 0.000 3/27720 440.0 15.927 15.589 17.364 0.000 -0.013 0.000 3/27720 450.0 15.537 15.208 16.942 0.000 -0.013 0.000 3/27720 460.0 15.166 14.844 16.540 0.000 -0.012 0.000 3/27720 470.0 14.813 14.499 16.157 0.000 -0.012 0.000 3/27720 480.0 14.477 14.170 15.792 0.000 -0.011 0.000 3/27720 490.0 14.156 13.855 15.444 0.000 -0.011 0.000 3/27720 500.0 13.850 13.555 15.111 0.000 -0.010 0.000 3/27720 510.0 13.556 13.268 14.793 0.000 -0.010 0.000 3/27720 520.0 13.276 12.993 14.488 0.000 -0.010 0.000 3/27720 530.0 13.007 12.730 14.196 0.000 -0.009 0.000 3/27720 540.0 12.749 12.478 13.916 0.000 -0.009 0.000 3/27720 550.0 12.501 12.235 13.647 0.000 -0.009 0.000 3/27720 560.0 12.263 12.002 13.388 0.000 -0.008 0.000 3/27720 570.0 12.034 11.778 13.139 0.000 -0.008 0.000 3/27720 580.0 11.814 11.563 12.900 0.000 -0.008 0.000 3/27720 590.0 11.602 11.355 12.669 0.000 -0.008 0.000 3/27720 600.0 11.398 11.155 12.447 0.000 -0.007 0.000 3/27720 610.0 11.200 10.962 12.232 0.000 -0.007 0.000 3/27720 620.0 11.010 10.775 12.025 0.000 -0.007 0.000 3/27720 630.0 10.826 10.595 11.825 0.000 -0.007 0.000 3/27720 640.0 10.649 10.422 11.631 0.000 -0.007 0.000 3/27720 650.0 10.477 10.253 11.444 0.000 -0.007 0.000 3/27720 660.0 10.311 10.091 11.263 0.000 -0.006 0.000 3/27720 670.0 10.150 9.933 11.088 0.000 -0.006 0.000 3/27720 680.0 9.994 9.780 10.918 0.000 -0.006 0.000 3/27720 690.0 9.843 9.633 10.754 0.000 -0.006 0.000 3/27720 700.0 9.696 9.489 10.594 0.000 -0.006 0.000 3/27720 710.0 9.554 9.350 10.439 0.000 -0.006 0.000 3/27720 720.0 9.416 9.215 10.289 0.000 -0.006 0.000 3/27720 730.0 9.282 9.084 10.143 0.000 -0.005 0.000 3/27720 740.0 9.152 8.957 10.001 0.000 -0.005 0.000 3/27720 750.0 9.025 8.833 9.863 0.000 -0.005 0.000 3/27720 760.0 8.903 8.712 9.729 0.000 -0.005 0.000 3/27720 770.0 8.783 8.595 9.599 0.000 -0.005 0.000 3/27720 780.0 8.667 8.481 9.472 0.000 -0.005 0.000 3/27720 790.0 8.553 8.371 9.349 0.000 -0.005 0.000 3/27720 800.0 8.443 8.263 9.228 0.000 -0.005 0.000 3/27720 810.0 8.335 8.157 9.111 0.000 -0.005 0.000 3/27720 820.0 8.231 8.055 8.997 0.000 -0.005 0.000 3/27720 830.0 8.129 7.955 8.885 0.000 -0.004 0.000 3/27720 840.0 8.029 7.857 8.777 0.000 -0.004 0.000 3/27720 850.0 7.932 7.762 8.671 0.000 -0.004 0.000 3/27720 860.0 7.837 7.670 8.567 0.000 -0.004 0.000 3/27720 870.0 7.745 7.579 8.467 0.000 -0.004 0.000 3/27720 880.0 7.654 7.491 8.368 0.000 -0.004 0.000 3/27720 890.0 7.566 7.404 8.272 0.000 -0.004 0.000 3/27720 900.0 7.480 7.320 8.178 0.000 -0.004 0.000 3/27720 910.0 7.396 7.238 8.086 0.000 -0.004 0.000 3/27720 920.0 7.313 7.157 7.996 0.000 -0.004 0.000 3/27720 930.0 7.233 7.078 7.908 0.000 -0.004 0.000 3/27720 940.0 7.154 7.001 7.822 0.000 -0.004 0.000 3/27720 950.0 7.077 6.926 7.738 0.000 -0.004 0.000 3/27720 960.0 7.002 6.852 7.656 0.000 -0.004 0.000 3/27720 970.0 6.928 6.780 7.575 0.000 -0.004 0.000 3/27720 980.0 6.856 6.709 7.497 0.000 -0.004 0.000 3/27720 990.0 6.785 6.640 7.420 0.000 -0.003 0.000 3/27720 1000.0 6.716 6.572 7.344 0.000 -0.003 0.000 3/27720 Thermal conductivity related properties were written into "kappa-m1147.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:07:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|