----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:50:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] 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 7.688077911619280 0.000000000000000 0.000000000000000 b 0.000000000000000 7.261156109999999 0.000000000000000 c -0.803558938405402 0.000000000000000 11.558734260374944 Atomic positions (fractional): *1 Rb 0.64294764537552 0.66188930977239 0.07732089511674 85.468 *2 Rb 0.06469420025445 0.37662614547273 0.15781698510574 85.468 *3 Rb 0.62339357476543 0.19142161502259 0.19015623967693 85.468 4 Rb 0.37660642523457 0.69142161502259 0.30984376032307 85.468 5 Rb 0.93530579974555 0.87662614547273 0.34218301489426 85.468 6 Rb 0.35705235462448 0.16188930977239 0.42267910488326 85.468 7 Rb 0.64294764537552 0.83811069022761 0.57732089511674 85.468 8 Rb 0.06469420025445 0.12337385452727 0.65781698510574 85.468 9 Rb 0.62339357476543 0.30857838497742 0.69015623967693 85.468 10 Rb 0.37660642523457 0.80857838497741 0.80984376032307 85.468 11 Rb 0.93530579974555 0.62337385452727 0.84218301489426 85.468 12 Rb 0.35705235462448 0.33811069022761 0.92267910488326 85.468 *13 Lu 0.15729740012234 0.91076197284532 0.06932280643671 174.967 14 Lu 0.84270259987766 0.41076197284532 0.43067719356329 174.967 15 Lu 0.15729740012234 0.58923802715468 0.56932280643671 174.967 16 Lu 0.84270259987766 0.08923802715468 0.93067719356329 174.967 *17 O 0.25221095289684 0.64905053306902 0.04822534425789 15.999 *18 O 0.88691665248109 0.94932363897867 0.09012616523632 15.999 *19 O 0.29725256159031 0.05134924199366 0.19633320527903 15.999 20 O 0.70274743840969 0.55134924199366 0.30366679472097 15.999 21 O 0.11308334751891 0.44932363897867 0.40987383476368 15.999 22 O 0.74778904710316 0.14905053306902 0.45177465574211 15.999 23 O 0.25221095289684 0.85094946693098 0.54822534425789 15.999 24 O 0.88691665248109 0.55067636102133 0.59012616523632 15.999 25 O 0.29725256159031 0.44865075800634 0.69633320527903 15.999 26 O 0.70274743840969 0.94865075800634 0.80366679472097 15.999 27 O 0.11308334751891 0.05067636102133 0.90987383476368 15.999 28 O 0.74778904710316 0.35094946693098 0.95177465574211 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.688077911619280 0.000000000000000 0.000000000000000 b 0.000000000000000 7.261156109999999 0.000000000000000 c -0.803558938405402 0.000000000000000 11.558734260374944 Atomic positions (fractional): *1 Rb 0.64294764537552 0.66188930977239 0.07732089511674 85.468 > 1 *2 Rb 0.06469420025445 0.37662614547273 0.15781698510574 85.468 > 2 *3 Rb 0.62339357476543 0.19142161502259 0.19015623967693 85.468 > 3 4 Rb 0.37660642523457 0.69142161502259 0.30984376032307 85.468 > 4 5 Rb 0.93530579974555 0.87662614547273 0.34218301489426 85.468 > 5 6 Rb 0.35705235462448 0.16188930977239 0.42267910488326 85.468 > 6 7 Rb 0.64294764537552 0.83811069022761 0.57732089511674 85.468 > 7 8 Rb 0.06469420025445 0.12337385452727 0.65781698510574 85.468 > 8 9 Rb 0.62339357476543 0.30857838497742 0.69015623967693 85.468 > 9 10 Rb 0.37660642523457 0.80857838497741 0.80984376032307 85.468 > 10 11 Rb 0.93530579974555 0.62337385452727 0.84218301489426 85.468 > 11 12 Rb 0.35705235462448 0.33811069022761 0.92267910488326 85.468 > 12 *13 Lu 0.15729740012234 0.91076197284532 0.06932280643671 174.967 > 13 14 Lu 0.84270259987766 0.41076197284532 0.43067719356329 174.967 > 14 15 Lu 0.15729740012234 0.58923802715468 0.56932280643671 174.967 > 15 16 Lu 0.84270259987766 0.08923802715468 0.93067719356329 174.967 > 16 *17 O 0.25221095289684 0.64905053306902 0.04822534425789 15.999 > 17 *18 O 0.88691665248109 0.94932363897867 0.09012616523632 15.999 > 18 *19 O 0.29725256159031 0.05134924199366 0.19633320527903 15.999 > 19 20 O 0.70274743840969 0.55134924199366 0.30366679472097 15.999 > 20 21 O 0.11308334751891 0.44932363897867 0.40987383476368 15.999 > 21 22 O 0.74778904710316 0.14905053306902 0.45177465574211 15.999 > 22 23 O 0.25221095289684 0.85094946693098 0.54822534425789 15.999 > 23 24 O 0.88691665248109 0.55067636102133 0.59012616523632 15.999 > 24 25 O 0.29725256159031 0.44865075800634 0.69633320527903 15.999 > 25 26 O 0.70274743840969 0.94865075800634 0.80366679472097 15.999 > 26 27 O 0.11308334751891 0.05067636102133 0.90987383476368 15.999 > 27 28 O 0.74778904710316 0.35094946693098 0.95177465574211 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.376155823238561 0.000000000000000 0.000000000000000 b 0.000000000000000 14.522312219999998 0.000000000000000 c -0.803558938405402 0.000000000000000 11.558734260374944 Atomic positions (fractional): *1 Rb 0.32147382268776 0.33094465488620 0.07732089511674 85.468 > 1 2 Rb 0.82147382268776 0.33094465488620 0.07732089511674 85.468 > 1 3 Rb 0.32147382268776 0.83094465488620 0.07732089511674 85.468 > 1 4 Rb 0.82147382268776 0.83094465488620 0.07732089511674 85.468 > 1 *5 Rb 0.03234710012722 0.18831307273636 0.15781698510574 85.468 > 2 6 Rb 0.53234710012722 0.18831307273636 0.15781698510574 85.468 > 2 7 Rb 0.03234710012722 0.68831307273636 0.15781698510574 85.468 > 2 8 Rb 0.53234710012722 0.68831307273636 0.15781698510574 85.468 > 2 *9 Rb 0.31169678738272 0.09571080751129 0.19015623967693 85.468 > 3 10 Rb 0.81169678738272 0.09571080751129 0.19015623967693 85.468 > 3 11 Rb 0.31169678738272 0.59571080751129 0.19015623967693 85.468 > 3 12 Rb 0.81169678738272 0.59571080751129 0.19015623967693 85.468 > 3 13 Rb 0.18830321261728 0.34571080751129 0.30984376032307 85.468 > 4 14 Rb 0.68830321261728 0.34571080751129 0.30984376032307 85.468 > 4 15 Rb 0.18830321261728 0.84571080751129 0.30984376032307 85.468 > 4 16 Rb 0.68830321261728 0.84571080751129 0.30984376032307 85.468 > 4 17 Rb 0.46765289987278 0.43831307273636 0.34218301489426 85.468 > 5 18 Rb 0.96765289987278 0.43831307273636 0.34218301489426 85.468 > 5 19 Rb 0.46765289987278 0.93831307273636 0.34218301489426 85.468 > 5 20 Rb 0.96765289987278 0.93831307273636 0.34218301489426 85.468 > 5 21 Rb 0.17852617731224 0.08094465488620 0.42267910488326 85.468 > 6 22 Rb 0.67852617731224 0.08094465488620 0.42267910488326 85.468 > 6 23 Rb 0.17852617731224 0.58094465488620 0.42267910488326 85.468 > 6 24 Rb 0.67852617731224 0.58094465488620 0.42267910488326 85.468 > 6 25 Rb 0.32147382268776 0.41905534511380 0.57732089511674 85.468 > 7 26 Rb 0.82147382268776 0.41905534511380 0.57732089511674 85.468 > 7 27 Rb 0.32147382268776 0.91905534511380 0.57732089511674 85.468 > 7 28 Rb 0.82147382268776 0.91905534511380 0.57732089511674 85.468 > 7 29 Rb 0.03234710012722 0.06168692726364 0.65781698510574 85.468 > 8 30 Rb 0.53234710012722 0.06168692726364 0.65781698510574 85.468 > 8 31 Rb 0.03234710012722 0.56168692726364 0.65781698510574 85.468 > 8 32 Rb 0.53234710012722 0.56168692726364 0.65781698510574 85.468 > 8 33 Rb 0.31169678738272 0.15428919248871 0.69015623967693 85.468 > 9 34 Rb 0.81169678738272 0.15428919248871 0.69015623967693 85.468 > 9 35 Rb 0.31169678738272 0.65428919248871 0.69015623967693 85.468 > 9 36 Rb 0.81169678738272 0.65428919248871 0.69015623967693 85.468 > 9 37 Rb 0.18830321261728 0.40428919248871 0.80984376032307 85.468 > 10 38 Rb 0.68830321261728 0.40428919248871 0.80984376032307 85.468 > 10 39 Rb 0.18830321261728 0.90428919248871 0.80984376032307 85.468 > 10 40 Rb 0.68830321261728 0.90428919248871 0.80984376032307 85.468 > 10 41 Rb 0.46765289987278 0.31168692726364 0.84218301489426 85.468 > 11 42 Rb 0.96765289987278 0.31168692726364 0.84218301489426 85.468 > 11 43 Rb 0.46765289987278 0.81168692726364 0.84218301489426 85.468 > 11 44 Rb 0.96765289987278 0.81168692726364 0.84218301489426 85.468 > 11 45 Rb 0.17852617731224 0.16905534511380 0.92267910488326 85.468 > 12 46 Rb 0.67852617731224 0.16905534511380 0.92267910488326 85.468 > 12 47 Rb 0.17852617731224 0.66905534511380 0.92267910488326 85.468 > 12 48 Rb 0.67852617731224 0.66905534511380 0.92267910488326 85.468 > 12 *49 Lu 0.07864870006117 0.45538098642266 0.06932280643671 174.967 > 13 50 Lu 0.57864870006117 0.45538098642266 0.06932280643671 174.967 > 13 51 Lu 0.07864870006117 0.95538098642266 0.06932280643671 174.967 > 13 52 Lu 0.57864870006117 0.95538098642266 0.06932280643671 174.967 > 13 53 Lu 0.42135129993883 0.20538098642266 0.43067719356329 174.967 > 14 54 Lu 0.92135129993883 0.20538098642266 0.43067719356329 174.967 > 14 55 Lu 0.42135129993883 0.70538098642266 0.43067719356329 174.967 > 14 56 Lu 0.92135129993883 0.70538098642266 0.43067719356329 174.967 > 14 57 Lu 0.07864870006117 0.29461901357734 0.56932280643671 174.967 > 15 58 Lu 0.57864870006117 0.29461901357734 0.56932280643671 174.967 > 15 59 Lu 0.07864870006117 0.79461901357734 0.56932280643671 174.967 > 15 60 Lu 0.57864870006117 0.79461901357734 0.56932280643671 174.967 > 15 61 Lu 0.42135129993883 0.04461901357734 0.93067719356329 174.967 > 16 62 Lu 0.92135129993883 0.04461901357734 0.93067719356329 174.967 > 16 63 Lu 0.42135129993883 0.54461901357734 0.93067719356329 174.967 > 16 64 Lu 0.92135129993883 0.54461901357734 0.93067719356329 174.967 > 16 *65 O 0.12610547644842 0.32452526653451 0.04822534425789 15.999 > 17 66 O 0.62610547644842 0.32452526653451 0.04822534425789 15.999 > 17 67 O 0.12610547644842 0.82452526653451 0.04822534425789 15.999 > 17 68 O 0.62610547644842 0.82452526653451 0.04822534425789 15.999 > 17 *69 O 0.44345832624054 0.47466181948934 0.09012616523632 15.999 > 18 70 O 0.94345832624054 0.47466181948934 0.09012616523632 15.999 > 18 71 O 0.44345832624054 0.97466181948934 0.09012616523632 15.999 > 18 72 O 0.94345832624054 0.97466181948934 0.09012616523632 15.999 > 18 *73 O 0.14862628079515 0.02567462099683 0.19633320527903 15.999 > 19 74 O 0.64862628079515 0.02567462099683 0.19633320527903 15.999 > 19 75 O 0.14862628079515 0.52567462099683 0.19633320527903 15.999 > 19 76 O 0.64862628079515 0.52567462099683 0.19633320527903 15.999 > 19 77 O 0.35137371920485 0.27567462099683 0.30366679472097 15.999 > 20 78 O 0.85137371920485 0.27567462099683 0.30366679472097 15.999 > 20 79 O 0.35137371920485 0.77567462099683 0.30366679472097 15.999 > 20 80 O 0.85137371920485 0.77567462099683 0.30366679472097 15.999 > 20 81 O 0.05654167375946 0.22466181948934 0.40987383476368 15.999 > 21 82 O 0.55654167375946 0.22466181948934 0.40987383476368 15.999 > 21 83 O 0.05654167375946 0.72466181948934 0.40987383476368 15.999 > 21 84 O 0.55654167375946 0.72466181948934 0.40987383476368 15.999 > 21 85 O 0.37389452355158 0.07452526653451 0.45177465574211 15.999 > 22 86 O 0.87389452355158 0.07452526653451 0.45177465574211 15.999 > 22 87 O 0.37389452355158 0.57452526653451 0.45177465574211 15.999 > 22 88 O 0.87389452355158 0.57452526653451 0.45177465574211 15.999 > 22 89 O 0.12610547644842 0.42547473346549 0.54822534425789 15.999 > 23 90 O 0.62610547644842 0.42547473346549 0.54822534425789 15.999 > 23 91 O 0.12610547644842 0.92547473346549 0.54822534425789 15.999 > 23 92 O 0.62610547644842 0.92547473346549 0.54822534425789 15.999 > 23 93 O 0.44345832624054 0.27533818051066 0.59012616523632 15.999 > 24 94 O 0.94345832624054 0.27533818051066 0.59012616523632 15.999 > 24 95 O 0.44345832624054 0.77533818051066 0.59012616523632 15.999 > 24 96 O 0.94345832624054 0.77533818051066 0.59012616523632 15.999 > 24 97 O 0.14862628079515 0.22432537900317 0.69633320527903 15.999 > 25 98 O 0.64862628079515 0.22432537900317 0.69633320527903 15.999 > 25 99 O 0.14862628079515 0.72432537900317 0.69633320527903 15.999 > 25 100 O 0.64862628079515 0.72432537900317 0.69633320527903 15.999 > 25 101 O 0.35137371920485 0.47432537900317 0.80366679472097 15.999 > 26 102 O 0.85137371920485 0.47432537900317 0.80366679472097 15.999 > 26 103 O 0.35137371920485 0.97432537900317 0.80366679472097 15.999 > 26 104 O 0.85137371920485 0.97432537900317 0.80366679472097 15.999 > 26 105 O 0.05654167375946 0.02533818051066 0.90987383476368 15.999 > 27 106 O 0.55654167375946 0.02533818051066 0.90987383476368 15.999 > 27 107 O 0.05654167375946 0.52533818051066 0.90987383476368 15.999 > 27 108 O 0.55654167375946 0.52533818051066 0.90987383476368 15.999 > 27 109 O 0.37389452355158 0.17547473346549 0.95177465574211 15.999 > 28 110 O 0.87389452355158 0.17547473346549 0.95177465574211 15.999 > 28 111 O 0.37389452355158 0.67547473346549 0.95177465574211 15.999 > 28 112 O 0.87389452355158 0.67547473346549 0.95177465574211 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0709831 0.0000000 0.0558441 0.0000000 3.0773048 0.0000000 0.0558452 0.0000000 3.1303046 -------------------------- Born effective charges -------------------------- 1 Rb 1.1816480 0.0561225 -0.0087306 0.0318745 1.1424081 0.0163760 -0.0145067 0.0113496 1.2201492 2 Rb 1.0316532 0.0063111 -0.0093558 0.0310144 1.2579986 -0.0197949 -0.0227668 -0.0075186 1.2143501 3 Rb 1.2483158 0.0827262 -0.0672155 0.0895521 1.0891810 0.0429903 -0.0266385 0.0716992 1.1395650 4 Rb 1.2483158 -0.0827262 -0.0672155 -0.0895521 1.0891810 -0.0429903 -0.0266385 -0.0716992 1.1395650 5 Rb 1.0316532 -0.0063111 -0.0093558 -0.0310144 1.2579986 0.0197949 -0.0227668 0.0075186 1.2143501 6 Rb 1.1816480 -0.0561225 -0.0087306 -0.0318745 1.1424081 -0.0163760 -0.0145067 -0.0113496 1.2201492 7 Rb 1.1816480 -0.0561225 -0.0087306 -0.0318745 1.1424081 -0.0163760 -0.0145067 -0.0113496 1.2201492 8 Rb 1.0316532 -0.0063111 -0.0093558 -0.0310144 1.2579986 0.0197949 -0.0227668 0.0075186 1.2143501 9 Rb 1.2483158 -0.0827262 -0.0672155 -0.0895521 1.0891810 -0.0429903 -0.0266385 -0.0716992 1.1395650 10 Rb 1.2483158 0.0827262 -0.0672155 0.0895521 1.0891810 0.0429903 -0.0266385 0.0716992 1.1395650 11 Rb 1.0316532 0.0063111 -0.0093558 0.0310144 1.2579986 -0.0197949 -0.0227668 -0.0075186 1.2143501 12 Rb 1.1816480 0.0561225 -0.0087306 0.0318745 1.1424081 0.0163760 -0.0145067 0.0113496 1.2201492 13 Lu 2.3738832 -0.4196165 0.5387037 -0.4650567 2.3863666 0.0399311 0.4980633 0.0009123 2.3903533 14 Lu 2.3738832 0.4196165 0.5387037 0.4650567 2.3863666 -0.0399311 0.4980633 -0.0009123 2.3903533 15 Lu 2.3738832 0.4196165 0.5387037 0.4650567 2.3863666 -0.0399311 0.4980633 -0.0009123 2.3903533 16 Lu 2.3738832 -0.4196165 0.5387037 -0.4650567 2.3863666 0.0399311 0.4980633 0.0009123 2.3903533 17 O -1.7331613 0.3854445 0.1613744 0.3525867 -2.5729366 -0.1062621 0.1023688 -0.0685440 -1.6842459 18 O -2.1841157 0.2433665 -0.1503365 0.2351859 -1.4741556 0.4223217 -0.0811381 0.4409079 -1.9941587 19 O -1.9182232 -0.3584484 -0.4644397 -0.3311127 -1.8288621 -0.3199972 -0.4553820 -0.3786133 -2.2860131 20 O -1.9182232 0.3584484 -0.4644397 0.3311127 -1.8288621 0.3199972 -0.4553820 0.3786133 -2.2860131 21 O -2.1841157 -0.2433665 -0.1503365 -0.2351859 -1.4741556 -0.4223217 -0.0811381 -0.4409079 -1.9941587 22 O -1.7331613 -0.3854445 0.1613744 -0.3525867 -2.5729366 0.1062621 0.1023688 0.0685440 -1.6842459 23 O -1.7331613 -0.3854445 0.1613744 -0.3525867 -2.5729366 0.1062621 0.1023688 0.0685440 -1.6842459 24 O -2.1841157 -0.2433665 -0.1503365 -0.2351859 -1.4741556 -0.4223217 -0.0811381 -0.4409079 -1.9941587 25 O -1.9182232 0.3584484 -0.4644397 0.3311127 -1.8288621 0.3199972 -0.4553820 0.3786133 -2.2860131 26 O -1.9182232 -0.3584484 -0.4644397 -0.3311127 -1.8288621 -0.3199972 -0.4553820 -0.3786133 -2.2860131 27 O -2.1841157 0.2433665 -0.1503365 0.2351859 -1.4741556 0.4223217 -0.0811381 0.4409079 -1.9941587 28 O -1.7331613 0.3854445 0.1613744 0.3525867 -2.5729366 -0.1062621 0.1023688 -0.0685440 -1.6842459 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.003 Solver_block: 200 / 880 - Time: 0.942 Solver_block: 300 / 880 - Time: 0.937 Solver_block: 400 / 880 - Time: 0.942 Solver_block: 500 / 880 - Time: 0.944 Solver_block: 600 / 880 - Time: 0.945 Solver_block: 700 / 880 - Time: 0.942 Solver_block: 800 / 880 - Time: 0.927 Solver_block: 880 / 880 - Time: 0.777 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.531 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 2026-01-09 02:51:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:51:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.688077911619280 0.000000000000000 0.000000000000000 b 0.000000000000000 7.261156109999999 0.000000000000000 c -0.803558938405402 0.000000000000000 11.558734260374944 Atomic positions (fractional): 1 Rb 0.64294764537552 0.66188930977239 0.07732089511674 85.468 2 Rb 0.06469420025445 0.37662614547273 0.15781698510574 85.468 3 Rb 0.62339357476543 0.19142161502259 0.19015623967693 85.468 4 Rb 0.37660642523457 0.69142161502259 0.30984376032307 85.468 5 Rb 0.93530579974555 0.87662614547273 0.34218301489426 85.468 6 Rb 0.35705235462448 0.16188930977239 0.42267910488326 85.468 7 Rb 0.64294764537552 0.83811069022761 0.57732089511674 85.468 8 Rb 0.06469420025445 0.12337385452727 0.65781698510574 85.468 9 Rb 0.62339357476543 0.30857838497742 0.69015623967693 85.468 10 Rb 0.37660642523457 0.80857838497741 0.80984376032307 85.468 11 Rb 0.93530579974555 0.62337385452727 0.84218301489426 85.468 12 Rb 0.35705235462448 0.33811069022761 0.92267910488326 85.468 13 Lu 0.15729740012234 0.91076197284532 0.06932280643671 174.967 14 Lu 0.84270259987766 0.41076197284532 0.43067719356329 174.967 15 Lu 0.15729740012234 0.58923802715468 0.56932280643671 174.967 16 Lu 0.84270259987766 0.08923802715468 0.93067719356329 174.967 17 O 0.25221095289684 0.64905053306902 0.04822534425789 15.999 18 O 0.88691665248109 0.94932363897867 0.09012616523632 15.999 19 O 0.29725256159031 0.05134924199366 0.19633320527903 15.999 20 O 0.70274743840969 0.55134924199366 0.30366679472097 15.999 21 O 0.11308334751891 0.44932363897867 0.40987383476368 15.999 22 O 0.74778904710316 0.14905053306902 0.45177465574211 15.999 23 O 0.25221095289684 0.85094946693098 0.54822534425789 15.999 24 O 0.88691665248109 0.55067636102133 0.59012616523632 15.999 25 O 0.29725256159031 0.44865075800634 0.69633320527903 15.999 26 O 0.70274743840969 0.94865075800634 0.80366679472097 15.999 27 O 0.11308334751891 0.05067636102133 0.90987383476368 15.999 28 O 0.74778904710316 0.35094946693098 0.95177465574211 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.376155823238561 0.000000000000000 0.000000000000000 b 0.000000000000000 14.522312219999998 0.000000000000000 c -0.803558938405402 0.000000000000000 11.558734260374944 Atomic positions (fractional): 1 Rb 0.32147382268776 0.33094465488620 0.07732089511674 85.468 > 1 2 Rb 0.82147382268776 0.33094465488620 0.07732089511674 85.468 > 1 3 Rb 0.32147382268776 0.83094465488620 0.07732089511674 85.468 > 1 4 Rb 0.82147382268776 0.83094465488620 0.07732089511674 85.468 > 1 5 Rb 0.03234710012722 0.18831307273636 0.15781698510574 85.468 > 5 6 Rb 0.53234710012722 0.18831307273636 0.15781698510574 85.468 > 5 7 Rb 0.03234710012722 0.68831307273636 0.15781698510574 85.468 > 5 8 Rb 0.53234710012722 0.68831307273636 0.15781698510574 85.468 > 5 9 Rb 0.31169678738272 0.09571080751129 0.19015623967693 85.468 > 9 10 Rb 0.81169678738272 0.09571080751129 0.19015623967693 85.468 > 9 11 Rb 0.31169678738272 0.59571080751129 0.19015623967693 85.468 > 9 12 Rb 0.81169678738272 0.59571080751129 0.19015623967693 85.468 > 9 13 Rb 0.18830321261728 0.34571080751129 0.30984376032307 85.468 > 13 14 Rb 0.68830321261728 0.34571080751129 0.30984376032307 85.468 > 13 15 Rb 0.18830321261728 0.84571080751129 0.30984376032307 85.468 > 13 16 Rb 0.68830321261728 0.84571080751129 0.30984376032307 85.468 > 13 17 Rb 0.46765289987278 0.43831307273636 0.34218301489426 85.468 > 17 18 Rb 0.96765289987278 0.43831307273636 0.34218301489426 85.468 > 17 19 Rb 0.46765289987278 0.93831307273636 0.34218301489426 85.468 > 17 20 Rb 0.96765289987278 0.93831307273636 0.34218301489426 85.468 > 17 21 Rb 0.17852617731224 0.08094465488620 0.42267910488326 85.468 > 21 22 Rb 0.67852617731224 0.08094465488620 0.42267910488326 85.468 > 21 23 Rb 0.17852617731224 0.58094465488620 0.42267910488326 85.468 > 21 24 Rb 0.67852617731224 0.58094465488620 0.42267910488326 85.468 > 21 25 Rb 0.32147382268776 0.41905534511380 0.57732089511674 85.468 > 25 26 Rb 0.82147382268776 0.41905534511380 0.57732089511674 85.468 > 25 27 Rb 0.32147382268776 0.91905534511380 0.57732089511674 85.468 > 25 28 Rb 0.82147382268776 0.91905534511380 0.57732089511674 85.468 > 25 29 Rb 0.03234710012722 0.06168692726364 0.65781698510574 85.468 > 29 30 Rb 0.53234710012722 0.06168692726364 0.65781698510574 85.468 > 29 31 Rb 0.03234710012722 0.56168692726364 0.65781698510574 85.468 > 29 32 Rb 0.53234710012722 0.56168692726364 0.65781698510574 85.468 > 29 33 Rb 0.31169678738272 0.15428919248871 0.69015623967693 85.468 > 33 34 Rb 0.81169678738272 0.15428919248871 0.69015623967693 85.468 > 33 35 Rb 0.31169678738272 0.65428919248871 0.69015623967693 85.468 > 33 36 Rb 0.81169678738272 0.65428919248871 0.69015623967693 85.468 > 33 37 Rb 0.18830321261728 0.40428919248871 0.80984376032307 85.468 > 37 38 Rb 0.68830321261728 0.40428919248871 0.80984376032307 85.468 > 37 39 Rb 0.18830321261728 0.90428919248871 0.80984376032307 85.468 > 37 40 Rb 0.68830321261728 0.90428919248871 0.80984376032307 85.468 > 37 41 Rb 0.46765289987278 0.31168692726364 0.84218301489426 85.468 > 41 42 Rb 0.96765289987278 0.31168692726364 0.84218301489426 85.468 > 41 43 Rb 0.46765289987278 0.81168692726364 0.84218301489426 85.468 > 41 44 Rb 0.96765289987278 0.81168692726364 0.84218301489426 85.468 > 41 45 Rb 0.17852617731224 0.16905534511380 0.92267910488326 85.468 > 45 46 Rb 0.67852617731224 0.16905534511380 0.92267910488326 85.468 > 45 47 Rb 0.17852617731224 0.66905534511380 0.92267910488326 85.468 > 45 48 Rb 0.67852617731224 0.66905534511380 0.92267910488326 85.468 > 45 49 Lu 0.07864870006117 0.45538098642266 0.06932280643671 174.967 > 49 50 Lu 0.57864870006117 0.45538098642266 0.06932280643671 174.967 > 49 51 Lu 0.07864870006117 0.95538098642266 0.06932280643671 174.967 > 49 52 Lu 0.57864870006117 0.95538098642266 0.06932280643671 174.967 > 49 53 Lu 0.42135129993883 0.20538098642266 0.43067719356329 174.967 > 53 54 Lu 0.92135129993883 0.20538098642266 0.43067719356329 174.967 > 53 55 Lu 0.42135129993883 0.70538098642266 0.43067719356329 174.967 > 53 56 Lu 0.92135129993883 0.70538098642266 0.43067719356329 174.967 > 53 57 Lu 0.07864870006117 0.29461901357734 0.56932280643671 174.967 > 57 58 Lu 0.57864870006117 0.29461901357734 0.56932280643671 174.967 > 57 59 Lu 0.07864870006117 0.79461901357734 0.56932280643671 174.967 > 57 60 Lu 0.57864870006117 0.79461901357734 0.56932280643671 174.967 > 57 61 Lu 0.42135129993883 0.04461901357734 0.93067719356329 174.967 > 61 62 Lu 0.92135129993883 0.04461901357734 0.93067719356329 174.967 > 61 63 Lu 0.42135129993883 0.54461901357734 0.93067719356329 174.967 > 61 64 Lu 0.92135129993883 0.54461901357734 0.93067719356329 174.967 > 61 65 O 0.12610547644842 0.32452526653451 0.04822534425789 15.999 > 65 66 O 0.62610547644842 0.32452526653451 0.04822534425789 15.999 > 65 67 O 0.12610547644842 0.82452526653451 0.04822534425789 15.999 > 65 68 O 0.62610547644842 0.82452526653451 0.04822534425789 15.999 > 65 69 O 0.44345832624054 0.47466181948934 0.09012616523632 15.999 > 69 70 O 0.94345832624054 0.47466181948934 0.09012616523632 15.999 > 69 71 O 0.44345832624054 0.97466181948934 0.09012616523632 15.999 > 69 72 O 0.94345832624054 0.97466181948934 0.09012616523632 15.999 > 69 73 O 0.14862628079515 0.02567462099683 0.19633320527903 15.999 > 73 74 O 0.64862628079515 0.02567462099683 0.19633320527903 15.999 > 73 75 O 0.14862628079515 0.52567462099683 0.19633320527903 15.999 > 73 76 O 0.64862628079515 0.52567462099683 0.19633320527903 15.999 > 73 77 O 0.35137371920485 0.27567462099683 0.30366679472097 15.999 > 77 78 O 0.85137371920485 0.27567462099683 0.30366679472097 15.999 > 77 79 O 0.35137371920485 0.77567462099683 0.30366679472097 15.999 > 77 80 O 0.85137371920485 0.77567462099683 0.30366679472097 15.999 > 77 81 O 0.05654167375946 0.22466181948934 0.40987383476368 15.999 > 81 82 O 0.55654167375946 0.22466181948934 0.40987383476368 15.999 > 81 83 O 0.05654167375946 0.72466181948934 0.40987383476368 15.999 > 81 84 O 0.55654167375946 0.72466181948934 0.40987383476368 15.999 > 81 85 O 0.37389452355158 0.07452526653451 0.45177465574211 15.999 > 85 86 O 0.87389452355158 0.07452526653451 0.45177465574211 15.999 > 85 87 O 0.37389452355158 0.57452526653451 0.45177465574211 15.999 > 85 88 O 0.87389452355158 0.57452526653451 0.45177465574211 15.999 > 85 89 O 0.12610547644842 0.42547473346549 0.54822534425789 15.999 > 89 90 O 0.62610547644842 0.42547473346549 0.54822534425789 15.999 > 89 91 O 0.12610547644842 0.92547473346549 0.54822534425789 15.999 > 89 92 O 0.62610547644842 0.92547473346549 0.54822534425789 15.999 > 89 93 O 0.44345832624054 0.27533818051066 0.59012616523632 15.999 > 93 94 O 0.94345832624054 0.27533818051066 0.59012616523632 15.999 > 93 95 O 0.44345832624054 0.77533818051066 0.59012616523632 15.999 > 93 96 O 0.94345832624054 0.77533818051066 0.59012616523632 15.999 > 93 97 O 0.14862628079515 0.22432537900317 0.69633320527903 15.999 > 97 98 O 0.64862628079515 0.22432537900317 0.69633320527903 15.999 > 97 99 O 0.14862628079515 0.72432537900317 0.69633320527903 15.999 > 97 100 O 0.64862628079515 0.72432537900317 0.69633320527903 15.999 > 97 101 O 0.35137371920485 0.47432537900317 0.80366679472097 15.999 > 101 102 O 0.85137371920485 0.47432537900317 0.80366679472097 15.999 > 101 103 O 0.35137371920485 0.97432537900317 0.80366679472097 15.999 > 101 104 O 0.85137371920485 0.97432537900317 0.80366679472097 15.999 > 101 105 O 0.05654167375946 0.02533818051066 0.90987383476368 15.999 > 105 106 O 0.55654167375946 0.02533818051066 0.90987383476368 15.999 > 105 107 O 0.05654167375946 0.52533818051066 0.90987383476368 15.999 > 105 108 O 0.55654167375946 0.52533818051066 0.90987383476368 15.999 > 105 109 O 0.37389452355158 0.17547473346549 0.95177465574211 15.999 > 109 110 O 0.87389452355158 0.17547473346549 0.95177465574211 15.999 > 109 111 O 0.37389452355158 0.67547473346549 0.95177465574211 15.999 > 109 112 O 0.87389452355158 0.67547473346549 0.95177465574211 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0709831 0.0000000 0.0558441 0.0000000 3.0773048 0.0000000 0.0558452 0.0000000 3.1303046 -------------------------- Born effective charges -------------------------- 1 Rb 1.1816480 0.0561225 -0.0087306 0.0318745 1.1424081 0.0163760 -0.0145067 0.0113496 1.2201492 2 Rb 1.0316532 0.0063111 -0.0093558 0.0310144 1.2579986 -0.0197949 -0.0227668 -0.0075186 1.2143501 3 Rb 1.2483158 0.0827262 -0.0672155 0.0895521 1.0891810 0.0429903 -0.0266385 0.0716992 1.1395650 4 Rb 1.2483158 -0.0827262 -0.0672155 -0.0895521 1.0891810 -0.0429903 -0.0266385 -0.0716992 1.1395650 5 Rb 1.0316532 -0.0063111 -0.0093558 -0.0310144 1.2579986 0.0197949 -0.0227668 0.0075186 1.2143501 6 Rb 1.1816480 -0.0561225 -0.0087306 -0.0318745 1.1424081 -0.0163760 -0.0145067 -0.0113496 1.2201492 7 Rb 1.1816480 -0.0561225 -0.0087306 -0.0318745 1.1424081 -0.0163760 -0.0145067 -0.0113496 1.2201492 8 Rb 1.0316532 -0.0063111 -0.0093558 -0.0310144 1.2579986 0.0197949 -0.0227668 0.0075186 1.2143501 9 Rb 1.2483158 -0.0827262 -0.0672155 -0.0895521 1.0891810 -0.0429903 -0.0266385 -0.0716992 1.1395650 10 Rb 1.2483158 0.0827262 -0.0672155 0.0895521 1.0891810 0.0429903 -0.0266385 0.0716992 1.1395650 11 Rb 1.0316532 0.0063111 -0.0093558 0.0310144 1.2579986 -0.0197949 -0.0227668 -0.0075186 1.2143501 12 Rb 1.1816480 0.0561225 -0.0087306 0.0318745 1.1424081 0.0163760 -0.0145067 0.0113496 1.2201492 13 Lu 2.3738832 -0.4196165 0.5387037 -0.4650567 2.3863666 0.0399311 0.4980633 0.0009123 2.3903533 14 Lu 2.3738832 0.4196165 0.5387037 0.4650567 2.3863666 -0.0399311 0.4980633 -0.0009123 2.3903533 15 Lu 2.3738832 0.4196165 0.5387037 0.4650567 2.3863666 -0.0399311 0.4980633 -0.0009123 2.3903533 16 Lu 2.3738832 -0.4196165 0.5387037 -0.4650567 2.3863666 0.0399311 0.4980633 0.0009123 2.3903533 17 O -1.7331613 0.3854445 0.1613744 0.3525867 -2.5729366 -0.1062621 0.1023688 -0.0685440 -1.6842459 18 O -2.1841157 0.2433665 -0.1503365 0.2351859 -1.4741556 0.4223217 -0.0811381 0.4409079 -1.9941587 19 O -1.9182232 -0.3584484 -0.4644397 -0.3311127 -1.8288621 -0.3199972 -0.4553820 -0.3786133 -2.2860131 20 O -1.9182232 0.3584484 -0.4644397 0.3311127 -1.8288621 0.3199972 -0.4553820 0.3786133 -2.2860131 21 O -2.1841157 -0.2433665 -0.1503365 -0.2351859 -1.4741556 -0.4223217 -0.0811381 -0.4409079 -1.9941587 22 O -1.7331613 -0.3854445 0.1613744 -0.3525867 -2.5729366 0.1062621 0.1023688 0.0685440 -1.6842459 23 O -1.7331613 -0.3854445 0.1613744 -0.3525867 -2.5729366 0.1062621 0.1023688 0.0685440 -1.6842459 24 O -2.1841157 -0.2433665 -0.1503365 -0.2351859 -1.4741556 -0.4223217 -0.0811381 -0.4409079 -1.9941587 25 O -1.9182232 0.3584484 -0.4644397 0.3311127 -1.8288621 0.3199972 -0.4553820 0.3786133 -2.2860131 26 O -1.9182232 -0.3584484 -0.4644397 -0.3311127 -1.8288621 -0.3199972 -0.4553820 -0.3786133 -2.2860131 27 O -2.1841157 0.2433665 -0.1503365 0.2351859 -1.4741556 0.4223217 -0.0811381 0.4409079 -1.9941587 28 O -1.7331613 0.3854445 0.1613744 0.3525867 -2.5729366 -0.1062621 0.1023688 -0.0685440 -1.6842459 ---------------------------------------------------------------------------- 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:51:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:51:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.688077911619280 0.000000000000000 0.000000000000000 b 0.000000000000000 7.261156109999999 0.000000000000000 c -0.803558938405402 0.000000000000000 11.558734260374944 Atomic positions (fractional): 1 Rb 0.64294764537552 0.66188930977239 0.07732089511674 85.468 2 Rb 0.06469420025445 0.37662614547273 0.15781698510574 85.468 3 Rb 0.62339357476543 0.19142161502259 0.19015623967693 85.468 4 Rb 0.37660642523457 0.69142161502259 0.30984376032307 85.468 5 Rb 0.93530579974555 0.87662614547273 0.34218301489426 85.468 6 Rb 0.35705235462448 0.16188930977239 0.42267910488326 85.468 7 Rb 0.64294764537552 0.83811069022761 0.57732089511674 85.468 8 Rb 0.06469420025445 0.12337385452727 0.65781698510574 85.468 9 Rb 0.62339357476543 0.30857838497742 0.69015623967693 85.468 10 Rb 0.37660642523457 0.80857838497741 0.80984376032307 85.468 11 Rb 0.93530579974555 0.62337385452727 0.84218301489426 85.468 12 Rb 0.35705235462448 0.33811069022761 0.92267910488326 85.468 13 Lu 0.15729740012234 0.91076197284532 0.06932280643671 174.967 14 Lu 0.84270259987766 0.41076197284532 0.43067719356329 174.967 15 Lu 0.15729740012234 0.58923802715468 0.56932280643671 174.967 16 Lu 0.84270259987766 0.08923802715468 0.93067719356329 174.967 17 O 0.25221095289684 0.64905053306902 0.04822534425789 15.999 18 O 0.88691665248109 0.94932363897867 0.09012616523632 15.999 19 O 0.29725256159031 0.05134924199366 0.19633320527903 15.999 20 O 0.70274743840969 0.55134924199366 0.30366679472097 15.999 21 O 0.11308334751891 0.44932363897867 0.40987383476368 15.999 22 O 0.74778904710316 0.14905053306902 0.45177465574211 15.999 23 O 0.25221095289684 0.85094946693098 0.54822534425789 15.999 24 O 0.88691665248109 0.55067636102133 0.59012616523632 15.999 25 O 0.29725256159031 0.44865075800634 0.69633320527903 15.999 26 O 0.70274743840969 0.94865075800634 0.80366679472097 15.999 27 O 0.11308334751891 0.05067636102133 0.90987383476368 15.999 28 O 0.74778904710316 0.35094946693098 0.95177465574211 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.376155823238561 0.000000000000000 0.000000000000000 b 0.000000000000000 14.522312219999998 0.000000000000000 c -0.803558938405402 0.000000000000000 11.558734260374944 Atomic positions (fractional): 1 Rb 0.32147382268776 0.33094465488620 0.07732089511674 85.468 > 1 2 Rb 0.82147382268776 0.33094465488620 0.07732089511674 85.468 > 1 3 Rb 0.32147382268776 0.83094465488620 0.07732089511674 85.468 > 1 4 Rb 0.82147382268776 0.83094465488620 0.07732089511674 85.468 > 1 5 Rb 0.03234710012722 0.18831307273636 0.15781698510574 85.468 > 5 6 Rb 0.53234710012722 0.18831307273636 0.15781698510574 85.468 > 5 7 Rb 0.03234710012722 0.68831307273636 0.15781698510574 85.468 > 5 8 Rb 0.53234710012722 0.68831307273636 0.15781698510574 85.468 > 5 9 Rb 0.31169678738272 0.09571080751129 0.19015623967693 85.468 > 9 10 Rb 0.81169678738272 0.09571080751129 0.19015623967693 85.468 > 9 11 Rb 0.31169678738272 0.59571080751129 0.19015623967693 85.468 > 9 12 Rb 0.81169678738272 0.59571080751129 0.19015623967693 85.468 > 9 13 Rb 0.18830321261728 0.34571080751129 0.30984376032307 85.468 > 13 14 Rb 0.68830321261728 0.34571080751129 0.30984376032307 85.468 > 13 15 Rb 0.18830321261728 0.84571080751129 0.30984376032307 85.468 > 13 16 Rb 0.68830321261728 0.84571080751129 0.30984376032307 85.468 > 13 17 Rb 0.46765289987278 0.43831307273636 0.34218301489426 85.468 > 17 18 Rb 0.96765289987278 0.43831307273636 0.34218301489426 85.468 > 17 19 Rb 0.46765289987278 0.93831307273636 0.34218301489426 85.468 > 17 20 Rb 0.96765289987278 0.93831307273636 0.34218301489426 85.468 > 17 21 Rb 0.17852617731224 0.08094465488620 0.42267910488326 85.468 > 21 22 Rb 0.67852617731224 0.08094465488620 0.42267910488326 85.468 > 21 23 Rb 0.17852617731224 0.58094465488620 0.42267910488326 85.468 > 21 24 Rb 0.67852617731224 0.58094465488620 0.42267910488326 85.468 > 21 25 Rb 0.32147382268776 0.41905534511380 0.57732089511674 85.468 > 25 26 Rb 0.82147382268776 0.41905534511380 0.57732089511674 85.468 > 25 27 Rb 0.32147382268776 0.91905534511380 0.57732089511674 85.468 > 25 28 Rb 0.82147382268776 0.91905534511380 0.57732089511674 85.468 > 25 29 Rb 0.03234710012722 0.06168692726364 0.65781698510574 85.468 > 29 30 Rb 0.53234710012722 0.06168692726364 0.65781698510574 85.468 > 29 31 Rb 0.03234710012722 0.56168692726364 0.65781698510574 85.468 > 29 32 Rb 0.53234710012722 0.56168692726364 0.65781698510574 85.468 > 29 33 Rb 0.31169678738272 0.15428919248871 0.69015623967693 85.468 > 33 34 Rb 0.81169678738272 0.15428919248871 0.69015623967693 85.468 > 33 35 Rb 0.31169678738272 0.65428919248871 0.69015623967693 85.468 > 33 36 Rb 0.81169678738272 0.65428919248871 0.69015623967693 85.468 > 33 37 Rb 0.18830321261728 0.40428919248871 0.80984376032307 85.468 > 37 38 Rb 0.68830321261728 0.40428919248871 0.80984376032307 85.468 > 37 39 Rb 0.18830321261728 0.90428919248871 0.80984376032307 85.468 > 37 40 Rb 0.68830321261728 0.90428919248871 0.80984376032307 85.468 > 37 41 Rb 0.46765289987278 0.31168692726364 0.84218301489426 85.468 > 41 42 Rb 0.96765289987278 0.31168692726364 0.84218301489426 85.468 > 41 43 Rb 0.46765289987278 0.81168692726364 0.84218301489426 85.468 > 41 44 Rb 0.96765289987278 0.81168692726364 0.84218301489426 85.468 > 41 45 Rb 0.17852617731224 0.16905534511380 0.92267910488326 85.468 > 45 46 Rb 0.67852617731224 0.16905534511380 0.92267910488326 85.468 > 45 47 Rb 0.17852617731224 0.66905534511380 0.92267910488326 85.468 > 45 48 Rb 0.67852617731224 0.66905534511380 0.92267910488326 85.468 > 45 49 Lu 0.07864870006117 0.45538098642266 0.06932280643671 174.967 > 49 50 Lu 0.57864870006117 0.45538098642266 0.06932280643671 174.967 > 49 51 Lu 0.07864870006117 0.95538098642266 0.06932280643671 174.967 > 49 52 Lu 0.57864870006117 0.95538098642266 0.06932280643671 174.967 > 49 53 Lu 0.42135129993883 0.20538098642266 0.43067719356329 174.967 > 53 54 Lu 0.92135129993883 0.20538098642266 0.43067719356329 174.967 > 53 55 Lu 0.42135129993883 0.70538098642266 0.43067719356329 174.967 > 53 56 Lu 0.92135129993883 0.70538098642266 0.43067719356329 174.967 > 53 57 Lu 0.07864870006117 0.29461901357734 0.56932280643671 174.967 > 57 58 Lu 0.57864870006117 0.29461901357734 0.56932280643671 174.967 > 57 59 Lu 0.07864870006117 0.79461901357734 0.56932280643671 174.967 > 57 60 Lu 0.57864870006117 0.79461901357734 0.56932280643671 174.967 > 57 61 Lu 0.42135129993883 0.04461901357734 0.93067719356329 174.967 > 61 62 Lu 0.92135129993883 0.04461901357734 0.93067719356329 174.967 > 61 63 Lu 0.42135129993883 0.54461901357734 0.93067719356329 174.967 > 61 64 Lu 0.92135129993883 0.54461901357734 0.93067719356329 174.967 > 61 65 O 0.12610547644842 0.32452526653451 0.04822534425789 15.999 > 65 66 O 0.62610547644842 0.32452526653451 0.04822534425789 15.999 > 65 67 O 0.12610547644842 0.82452526653451 0.04822534425789 15.999 > 65 68 O 0.62610547644842 0.82452526653451 0.04822534425789 15.999 > 65 69 O 0.44345832624054 0.47466181948934 0.09012616523632 15.999 > 69 70 O 0.94345832624054 0.47466181948934 0.09012616523632 15.999 > 69 71 O 0.44345832624054 0.97466181948934 0.09012616523632 15.999 > 69 72 O 0.94345832624054 0.97466181948934 0.09012616523632 15.999 > 69 73 O 0.14862628079515 0.02567462099683 0.19633320527903 15.999 > 73 74 O 0.64862628079515 0.02567462099683 0.19633320527903 15.999 > 73 75 O 0.14862628079515 0.52567462099683 0.19633320527903 15.999 > 73 76 O 0.64862628079515 0.52567462099683 0.19633320527903 15.999 > 73 77 O 0.35137371920485 0.27567462099683 0.30366679472097 15.999 > 77 78 O 0.85137371920485 0.27567462099683 0.30366679472097 15.999 > 77 79 O 0.35137371920485 0.77567462099683 0.30366679472097 15.999 > 77 80 O 0.85137371920485 0.77567462099683 0.30366679472097 15.999 > 77 81 O 0.05654167375946 0.22466181948934 0.40987383476368 15.999 > 81 82 O 0.55654167375946 0.22466181948934 0.40987383476368 15.999 > 81 83 O 0.05654167375946 0.72466181948934 0.40987383476368 15.999 > 81 84 O 0.55654167375946 0.72466181948934 0.40987383476368 15.999 > 81 85 O 0.37389452355158 0.07452526653451 0.45177465574211 15.999 > 85 86 O 0.87389452355158 0.07452526653451 0.45177465574211 15.999 > 85 87 O 0.37389452355158 0.57452526653451 0.45177465574211 15.999 > 85 88 O 0.87389452355158 0.57452526653451 0.45177465574211 15.999 > 85 89 O 0.12610547644842 0.42547473346549 0.54822534425789 15.999 > 89 90 O 0.62610547644842 0.42547473346549 0.54822534425789 15.999 > 89 91 O 0.12610547644842 0.92547473346549 0.54822534425789 15.999 > 89 92 O 0.62610547644842 0.92547473346549 0.54822534425789 15.999 > 89 93 O 0.44345832624054 0.27533818051066 0.59012616523632 15.999 > 93 94 O 0.94345832624054 0.27533818051066 0.59012616523632 15.999 > 93 95 O 0.44345832624054 0.77533818051066 0.59012616523632 15.999 > 93 96 O 0.94345832624054 0.77533818051066 0.59012616523632 15.999 > 93 97 O 0.14862628079515 0.22432537900317 0.69633320527903 15.999 > 97 98 O 0.64862628079515 0.22432537900317 0.69633320527903 15.999 > 97 99 O 0.14862628079515 0.72432537900317 0.69633320527903 15.999 > 97 100 O 0.64862628079515 0.72432537900317 0.69633320527903 15.999 > 97 101 O 0.35137371920485 0.47432537900317 0.80366679472097 15.999 > 101 102 O 0.85137371920485 0.47432537900317 0.80366679472097 15.999 > 101 103 O 0.35137371920485 0.97432537900317 0.80366679472097 15.999 > 101 104 O 0.85137371920485 0.97432537900317 0.80366679472097 15.999 > 101 105 O 0.05654167375946 0.02533818051066 0.90987383476368 15.999 > 105 106 O 0.55654167375946 0.02533818051066 0.90987383476368 15.999 > 105 107 O 0.05654167375946 0.52533818051066 0.90987383476368 15.999 > 105 108 O 0.55654167375946 0.52533818051066 0.90987383476368 15.999 > 105 109 O 0.37389452355158 0.17547473346549 0.95177465574211 15.999 > 109 110 O 0.87389452355158 0.17547473346549 0.95177465574211 15.999 > 109 111 O 0.37389452355158 0.67547473346549 0.95177465574211 15.999 > 109 112 O 0.87389452355158 0.67547473346549 0.95177465574211 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0709831 0.0000000 0.0558441 0.0000000 3.0773048 0.0000000 0.0558452 0.0000000 3.1303046 -------------------------- Born effective charges -------------------------- 1 Rb 1.1816480 0.0561225 -0.0087306 0.0318745 1.1424081 0.0163760 -0.0145067 0.0113496 1.2201492 2 Rb 1.0316532 0.0063111 -0.0093558 0.0310144 1.2579986 -0.0197949 -0.0227668 -0.0075186 1.2143501 3 Rb 1.2483158 0.0827262 -0.0672155 0.0895521 1.0891810 0.0429903 -0.0266385 0.0716992 1.1395650 4 Rb 1.2483158 -0.0827262 -0.0672155 -0.0895521 1.0891810 -0.0429903 -0.0266385 -0.0716992 1.1395650 5 Rb 1.0316532 -0.0063111 -0.0093558 -0.0310144 1.2579986 0.0197949 -0.0227668 0.0075186 1.2143501 6 Rb 1.1816480 -0.0561225 -0.0087306 -0.0318745 1.1424081 -0.0163760 -0.0145067 -0.0113496 1.2201492 7 Rb 1.1816480 -0.0561225 -0.0087306 -0.0318745 1.1424081 -0.0163760 -0.0145067 -0.0113496 1.2201492 8 Rb 1.0316532 -0.0063111 -0.0093558 -0.0310144 1.2579986 0.0197949 -0.0227668 0.0075186 1.2143501 9 Rb 1.2483158 -0.0827262 -0.0672155 -0.0895521 1.0891810 -0.0429903 -0.0266385 -0.0716992 1.1395650 10 Rb 1.2483158 0.0827262 -0.0672155 0.0895521 1.0891810 0.0429903 -0.0266385 0.0716992 1.1395650 11 Rb 1.0316532 0.0063111 -0.0093558 0.0310144 1.2579986 -0.0197949 -0.0227668 -0.0075186 1.2143501 12 Rb 1.1816480 0.0561225 -0.0087306 0.0318745 1.1424081 0.0163760 -0.0145067 0.0113496 1.2201492 13 Lu 2.3738832 -0.4196165 0.5387037 -0.4650567 2.3863666 0.0399311 0.4980633 0.0009123 2.3903533 14 Lu 2.3738832 0.4196165 0.5387037 0.4650567 2.3863666 -0.0399311 0.4980633 -0.0009123 2.3903533 15 Lu 2.3738832 0.4196165 0.5387037 0.4650567 2.3863666 -0.0399311 0.4980633 -0.0009123 2.3903533 16 Lu 2.3738832 -0.4196165 0.5387037 -0.4650567 2.3863666 0.0399311 0.4980633 0.0009123 2.3903533 17 O -1.7331613 0.3854445 0.1613744 0.3525867 -2.5729366 -0.1062621 0.1023688 -0.0685440 -1.6842459 18 O -2.1841157 0.2433665 -0.1503365 0.2351859 -1.4741556 0.4223217 -0.0811381 0.4409079 -1.9941587 19 O -1.9182232 -0.3584484 -0.4644397 -0.3311127 -1.8288621 -0.3199972 -0.4553820 -0.3786133 -2.2860131 20 O -1.9182232 0.3584484 -0.4644397 0.3311127 -1.8288621 0.3199972 -0.4553820 0.3786133 -2.2860131 21 O -2.1841157 -0.2433665 -0.1503365 -0.2351859 -1.4741556 -0.4223217 -0.0811381 -0.4409079 -1.9941587 22 O -1.7331613 -0.3854445 0.1613744 -0.3525867 -2.5729366 0.1062621 0.1023688 0.0685440 -1.6842459 23 O -1.7331613 -0.3854445 0.1613744 -0.3525867 -2.5729366 0.1062621 0.1023688 0.0685440 -1.6842459 24 O -2.1841157 -0.2433665 -0.1503365 -0.2351859 -1.4741556 -0.4223217 -0.0811381 -0.4409079 -1.9941587 25 O -1.9182232 0.3584484 -0.4644397 0.3311127 -1.8288621 0.3199972 -0.4553820 0.3786133 -2.2860131 26 O -1.9182232 -0.3584484 -0.4644397 -0.3311127 -1.8288621 -0.3199972 -0.4553820 -0.3786133 -2.2860131 27 O -2.1841157 0.2433665 -0.1503365 0.2351859 -1.4741556 0.4223217 -0.0811381 0.4409079 -1.9941587 28 O -1.7331613 0.3854445 0.1613744 0.3525867 -2.5729366 -0.1062621 0.1023688 -0.0685440 -1.6842459 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 7 7 4 ] 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: 0.48, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.980 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.238 ( 0.000 0.000 0.000) 0.000 1.310 ( 0.000 0.000 0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.564 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 0.000) 0.000 1.845 ( 0.000 0.000 0.000) 0.000 1.864 ( 0.000 0.000 0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.200 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.464 ( 0.000 0.000 0.000) 0.000 3.581 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 6.029 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 6.828 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.168 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 7.925 ( 0.000 0.000 0.000) 0.000 8.100 ( 0.000 0.000 0.000) 0.000 11.925 ( 0.000 0.000 0.000) 0.000 11.972 ( 0.000 0.000 0.000) 0.000 13.086 ( 0.000 0.000 0.000) 0.000 13.237 ( 0.000 0.000 0.000) 0.000 13.504 ( 0.000 0.000 0.000) 0.000 13.751 ( 0.000 0.000 0.000) 0.000 13.956 ( 0.000 0.000 0.000) 0.000 14.016 ( 0.000 0.000 0.000) 0.000 15.052 ( 0.000 0.000 0.000) 0.000 15.113 ( 0.000 0.000 0.000) 0.000 15.562 ( 0.000 0.000 0.000) 0.000 15.718 ( 0.000 0.000 0.000) 0.000 17.545 ( 0.000 0.000 0.000) 0.000 17.665 ( 0.000 0.000 0.000) 0.000 17.945 ( 0.000 0.000 0.000) 0.000 17.956 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( 12.282 0.000 4.869) 13.212 0.325 ( 18.152 0.000 -7.671) 19.706 0.583 ( 29.371 0.000 13.628) 32.379 1.060 ( 7.811 0.000 -2.260) 8.131 1.066 ( -7.733 0.000 1.486) 7.875 1.242 ( -3.589 0.000 -0.471) 3.620 1.322 ( -0.336 0.000 0.778) 0.848 1.350 ( 0.102 0.000 -5.808) 5.809 1.431 ( -0.264 0.000 0.524) 0.587 1.490 ( -3.572 0.000 -2.545) 4.386 1.538 ( -2.748 0.000 1.638) 3.199 1.591 ( 3.100 0.000 -2.425) 3.936 1.650 ( 0.246 0.000 2.709) 2.720 1.663 ( 4.435 0.000 0.982) 4.542 1.753 ( -4.735 0.000 9.787) 10.872 1.764 ( 5.301 0.000 -0.811) 5.362 1.869 ( -0.468 0.000 -7.744) 7.758 2.021 ( -1.715 0.000 1.704) 2.418 2.071 ( -4.513 0.000 -0.227) 4.518 2.075 ( -1.012 0.000 9.997) 10.048 2.113 ( 1.101 0.000 -0.870) 1.403 2.198 ( -0.144 0.000 0.629) 0.645 2.244 ( 2.145 0.000 6.802) 7.132 2.292 ( -2.757 0.000 0.595) 2.821 2.334 ( 2.215 0.000 -1.036) 2.445 2.442 ( -1.470 0.000 4.910) 5.125 2.499 ( -5.366 0.000 0.609) 5.401 2.547 ( 2.196 0.000 -5.714) 6.122 2.599 ( 2.207 0.000 -11.939) 12.141 2.621 ( -2.498 0.000 1.278) 2.805 2.740 ( -9.715 0.000 3.337) 10.273 2.747 ( -1.558 0.000 -5.225) 5.452 2.828 ( -3.397 0.000 -0.100) 3.399 2.844 ( 6.886 0.000 6.130) 9.219 2.955 ( -5.605 0.000 1.391) 5.775 3.032 ( -3.915 0.000 -5.243) 6.543 3.066 ( 2.032 0.000 3.163) 3.759 3.098 ( -1.556 0.000 -1.690) 2.297 3.259 ( 0.001 0.000 2.313) 2.313 3.267 ( 4.151 0.000 -7.655) 8.708 3.297 ( 1.134 0.000 2.709) 2.936 3.321 ( -2.221 0.000 1.401) 2.626 3.443 ( -4.324 0.000 10.265) 11.139 3.541 ( 5.836 0.000 0.374) 5.848 3.606 ( -0.006 0.000 1.272) 1.272 3.650 ( 4.024 0.000 0.881) 4.120 4.123 ( -0.773 0.000 1.174) 1.406 4.205 ( -6.727 0.000 -0.574) 6.751 4.450 ( 5.641 0.000 1.040) 5.736 4.487 ( 7.420 0.000 1.632) 7.597 4.635 ( 0.296 0.000 2.167) 2.187 4.799 ( -1.625 0.000 0.363) 1.665 5.150 ( -6.919 0.000 -2.706) 7.429 5.217 ( -8.893 0.000 -4.771) 10.091 5.526 ( -0.050 0.000 -18.331) 18.331 5.792 ( -8.076 0.000 -2.893) 8.579 5.849 ( -0.941 0.000 -6.637) 6.704 6.017 ( -1.832 0.000 5.387) 5.690 6.320 ( -7.428 0.000 2.999) 8.011 6.890 ( -11.253 0.000 2.118) 11.450 6.993 ( 12.645 0.000 4.790) 13.521 7.235 ( -11.249 0.000 -12.899) 17.115 7.257 ( 10.073 0.000 -5.964) 11.706 7.376 ( 4.537 0.000 4.619) 6.474 7.829 ( 4.120 0.000 7.436) 8.502 7.832 ( -6.637 0.000 -0.405) 6.650 8.191 ( 6.615 0.000 -0.496) 6.634 8.246 ( 9.645 0.000 -24.630) 26.452 11.916 ( -0.605 0.000 -0.904) 1.088 11.973 ( 0.064 0.000 0.493) 0.497 13.171 ( 8.345 0.000 0.185) 8.347 13.238 ( -0.650 0.000 -3.822) 3.877 13.768 ( 1.711 0.000 -0.024) 1.711 13.906 ( -3.636 0.000 -0.429) 3.662 14.062 ( 3.226 0.000 0.431) 3.255 14.803 ( 1.982 0.000 -28.573) 28.641 15.063 ( 1.130 0.000 -0.281) 1.165 15.524 ( -4.969 0.000 62.295) 62.493 15.556 ( -0.521 0.000 -0.627) 0.815 15.702 ( -1.515 0.000 -0.673) 1.658 17.536 ( -0.932 0.000 1.370) 1.657 17.823 ( -4.931 0.000 10.627) 11.715 17.950 ( 0.651 0.000 -2.636) 2.715 18.006 ( 2.743 0.000 10.121) 10.486 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 11.034 0.000 4.362) 11.865 0.650 ( 17.461 0.000 -4.864) 18.126 0.953 ( -4.290 0.000 -1.069) 4.421 1.077 ( 19.098 0.000 5.923) 19.995 1.170 ( -3.479 0.000 -0.243) 3.488 1.234 ( 10.296 0.000 1.191) 10.364 1.321 ( 1.351 0.000 0.423) 1.415 1.327 ( -0.716 0.000 -9.319) 9.347 1.350 ( -7.086 0.000 4.245) 8.260 1.424 ( -2.737 0.000 -3.105) 4.139 1.476 ( -3.149 0.000 -0.932) 3.284 1.577 ( -4.680 0.000 -0.013) 4.680 1.641 ( -0.799 0.000 1.564) 1.756 1.718 ( 4.187 0.000 1.521) 4.454 1.785 ( 0.135 0.000 3.511) 3.514 1.873 ( 4.524 0.000 -0.132) 4.526 1.907 ( 7.455 0.000 0.117) 7.456 1.969 ( -6.003 0.000 -0.397) 6.016 2.000 ( 0.022 0.000 -1.563) 1.563 2.065 ( -0.604 0.000 1.958) 2.049 2.129 ( 0.611 0.000 -0.918) 1.103 2.198 ( -0.041 0.000 2.126) 2.126 2.272 ( 0.838 0.000 0.390) 0.925 2.283 ( -1.973 0.000 4.857) 5.243 2.319 ( -1.642 0.000 5.096) 5.354 2.378 ( -6.831 0.000 -2.949) 7.440 2.422 ( -0.810 0.000 4.772) 4.840 2.557 ( -1.264 0.000 -4.145) 4.333 2.595 ( -2.545 0.000 -7.990) 8.385 2.597 ( -0.435 0.000 -1.046) 1.133 2.656 ( 2.283 0.000 1.899) 2.970 2.684 ( -3.898 0.000 -2.421) 4.588 2.712 ( -6.782 0.000 -2.103) 7.100 2.845 ( -6.694 0.000 2.527) 7.155 2.913 ( -6.472 0.000 -3.573) 7.393 2.986 ( 6.007 0.000 -1.096) 6.106 3.046 ( -2.449 0.000 0.111) 2.452 3.127 ( 3.728 0.000 3.996) 5.465 3.247 ( -0.619 0.000 1.220) 1.369 3.285 ( -4.574 0.000 1.668) 4.868 3.325 ( 0.724 0.000 3.525) 3.599 3.327 ( 2.359 0.000 -4.691) 5.251 3.412 ( 1.746 0.000 -1.130) 2.080 3.604 ( 0.014 0.000 3.280) 3.280 3.636 ( 3.938 0.000 -0.094) 3.939 3.727 ( 3.540 0.000 0.881) 3.648 4.090 ( -5.227 0.000 0.003) 5.227 4.126 ( 1.153 0.000 2.122) 2.415 4.573 ( 6.354 0.000 1.244) 6.474 4.593 ( 1.555 0.000 0.635) 1.679 4.670 ( 4.736 0.000 4.095) 6.261 4.751 ( -3.590 0.000 0.668) 3.652 5.016 ( -5.265 0.000 -3.651) 6.407 5.037 ( -8.867 0.000 -2.069) 9.105 5.442 ( -5.515 0.000 -13.499) 14.582 5.620 ( -8.937 0.000 -3.816) 9.717 5.863 ( 2.786 0.000 -2.150) 3.519 5.969 ( -3.918 0.000 6.994) 8.017 6.198 ( -6.043 0.000 2.976) 6.736 6.671 ( -11.041 0.000 -0.111) 11.041 6.979 ( -10.772 0.000 -6.399) 12.529 7.248 ( 10.413 0.000 3.540) 10.998 7.430 ( 4.373 0.000 2.933) 5.266 7.458 ( 5.695 0.000 -0.112) 5.696 7.745 ( -1.064 0.000 -4.109) 4.245 7.922 ( 4.561 0.000 5.508) 7.151 8.295 ( 4.086 0.000 0.431) 4.109 8.390 ( 7.265 0.000 -10.302) 12.606 11.907 ( -0.147 0.000 -1.093) 1.103 11.976 ( 0.073 0.000 0.619) 0.623 13.219 ( -0.905 0.000 -1.407) 1.673 13.348 ( 9.262 0.000 0.581) 9.280 13.805 ( 1.958 0.000 0.002) 1.958 13.842 ( -2.860 0.000 -0.864) 2.988 14.118 ( 2.536 0.000 0.659) 2.620 14.802 ( 0.758 0.000 -11.352) 11.377 15.090 ( 1.663 0.000 -0.597) 1.767 15.508 ( -2.609 0.000 23.800) 23.942 15.547 ( -0.187 0.000 -0.729) 0.752 15.666 ( -2.082 0.000 -0.835) 2.243 17.518 ( -1.019 0.000 1.339) 1.683 17.751 ( -3.460 0.000 1.879) 3.937 17.958 ( 0.580 0.000 -2.837) 2.896 18.062 ( 1.973 0.000 5.909) 6.230 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 5.766 0.000 2.627) 6.336 0.901 ( -1.259 0.000 -1.652) 2.077 0.943 ( 13.324 0.000 -1.787) 13.443 1.136 ( 0.733 0.000 -2.461) 2.568 1.213 ( -3.988 0.000 0.099) 3.989 1.217 ( -6.467 0.000 3.970) 7.588 1.268 ( -1.587 0.000 -0.257) 1.607 1.330 ( 1.416 0.000 -3.913) 4.161 1.362 ( 1.995 0.000 -3.029) 3.627 1.458 ( 1.321 0.000 -1.261) 1.826 1.489 ( -4.044 0.000 -0.714) 4.106 1.513 ( 4.212 0.000 2.639) 4.970 1.659 ( 2.182 0.000 2.128) 3.048 1.712 ( -1.398 0.000 4.619) 4.826 1.853 ( -0.168 0.000 0.328) 0.368 1.856 ( 3.766 0.000 -2.490) 4.515 1.921 ( -2.747 0.000 1.132) 2.971 2.012 ( 1.645 0.000 1.761) 2.410 2.035 ( 3.355 0.000 -0.701) 3.427 2.085 ( 3.033 0.000 2.406) 3.871 2.137 ( 0.498 0.000 -0.746) 0.897 2.194 ( -1.360 0.000 2.575) 2.912 2.201 ( -3.021 0.000 3.280) 4.459 2.290 ( 0.143 0.000 -2.114) 2.119 2.311 ( 1.720 0.000 -0.651) 1.839 2.368 ( 3.039 0.000 2.241) 3.776 2.411 ( -2.109 0.000 0.111) 2.111 2.468 ( -7.277 0.000 -1.241) 7.382 2.488 ( -2.127 0.000 0.750) 2.255 2.575 ( -7.096 0.000 -7.720) 10.486 2.603 ( -2.869 0.000 -3.612) 4.612 2.646 ( -1.516 0.000 0.228) 1.533 2.677 ( 4.604 0.000 -2.638) 5.306 2.768 ( -4.182 0.000 4.938) 6.471 2.879 ( 2.999 0.000 0.428) 3.029 3.036 ( 2.223 0.000 3.250) 3.938 3.061 ( 2.289 0.000 -1.660) 2.827 3.161 ( -7.408 0.000 -3.437) 8.166 3.197 ( 3.215 0.000 -1.295) 3.466 3.236 ( -1.252 0.000 2.512) 2.806 3.329 ( -0.457 0.000 2.040) 2.091 3.354 ( 0.885 0.000 -1.218) 1.506 3.446 ( 1.085 0.000 -0.361) 1.144 3.614 ( 0.366 0.000 1.958) 1.991 3.682 ( 1.100 0.000 -0.201) 1.119 3.775 ( 1.419 0.000 0.346) 1.460 4.023 ( -1.791 0.000 0.190) 1.801 4.163 ( 1.737 0.000 1.681) 2.417 4.580 ( -1.252 0.000 0.443) 1.328 4.628 ( -0.936 0.000 -1.377) 1.665 4.700 ( -0.739 0.000 1.120) 1.342 4.771 ( 3.597 0.000 2.212) 4.223 4.920 ( -3.049 0.000 -0.756) 3.141 4.990 ( 1.745 0.000 -0.486) 1.812 5.336 ( -3.330 0.000 -6.518) 7.319 5.474 ( -5.337 0.000 -2.422) 5.861 5.915 ( -1.997 0.000 3.218) 3.787 5.921 ( 2.657 0.000 0.252) 2.669 6.106 ( -3.652 0.000 1.247) 3.859 6.518 ( -4.610 0.000 -0.040) 4.610 6.827 ( -4.208 0.000 -2.230) 4.762 7.390 ( 3.933 0.000 1.416) 4.181 7.455 ( -0.174 0.000 2.650) 2.656 7.525 ( 1.250 0.000 -1.271) 1.783 7.780 ( 2.913 0.000 -2.283) 3.701 7.993 ( 2.040 0.000 1.978) 2.841 8.341 ( 1.031 0.000 0.415) 1.112 8.473 ( 2.486 0.000 -3.137) 4.002 11.907 ( 0.075 0.000 -0.473) 0.479 11.977 ( 0.030 0.000 0.277) 0.279 13.205 ( -0.381 0.000 -0.392) 0.547 13.475 ( 3.615 0.000 0.441) 3.641 13.807 ( -0.828 0.000 -0.574) 1.007 13.832 ( 0.820 0.000 0.011) 0.820 14.152 ( 0.935 0.000 0.343) 0.995 14.802 ( 0.209 0.000 -3.316) 3.323 15.115 ( 0.856 0.000 -0.375) 0.934 15.493 ( -0.981 0.000 6.853) 6.923 15.548 ( 0.200 0.000 -0.289) 0.352 15.632 ( -1.123 0.000 -0.386) 1.187 17.506 ( -0.413 0.000 0.494) 0.643 17.707 ( -1.274 0.000 0.241) 1.296 17.963 ( 0.188 0.000 -1.135) 1.150 18.092 ( 0.695 0.000 1.946) 2.066 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.235 ( 0.000 12.870 0.000) 12.870 0.335 ( 0.000 16.543 0.000) 16.543 0.612 ( 0.000 30.110 0.000) 30.110 1.040 ( 0.000 5.536 0.000) 5.536 1.248 ( 0.000 3.918 0.000) 3.918 1.255 ( 0.000 1.748 0.000) 1.748 1.329 ( 0.000 0.859 0.000) 0.859 1.431 ( 0.000 -1.944 0.000) 1.944 1.431 ( 0.000 5.730 0.000) 5.730 1.475 ( 0.000 -6.355 0.000) 6.355 1.538 ( 0.000 1.264 0.000) 1.264 1.552 ( 0.000 -2.118 0.000) 2.118 1.639 ( 0.000 0.329 0.000) 0.329 1.646 ( 0.000 1.968 0.000) 1.968 1.749 ( 0.000 1.545 0.000) 1.545 1.780 ( 0.000 -1.949 0.000) 1.949 1.884 ( 0.000 2.715 0.000) 2.715 1.958 ( 0.000 1.798 0.000) 1.798 2.065 ( 0.000 -2.437 0.000) 2.437 2.091 ( 0.000 0.258 0.000) 0.258 2.133 ( 0.000 -4.947 0.000) 4.947 2.180 ( 0.000 2.241 0.000) 2.241 2.234 ( 0.000 2.467 0.000) 2.467 2.349 ( 0.000 2.562 0.000) 2.562 2.358 ( 0.000 3.808 0.000) 3.808 2.447 ( 0.000 -6.779 0.000) 6.779 2.477 ( 0.000 -1.606 0.000) 1.606 2.528 ( 0.000 0.398 0.000) 0.398 2.550 ( 0.000 -1.165 0.000) 1.165 2.616 ( 0.000 1.975 0.000) 1.975 2.701 ( 0.000 0.435 0.000) 0.435 2.785 ( 0.000 -4.385 0.000) 4.385 2.870 ( 0.000 -0.190 0.000) 0.190 2.901 ( 0.000 2.943 0.000) 2.943 3.012 ( 0.000 -0.640 0.000) 0.640 3.048 ( 0.000 0.031 0.000) 0.031 3.049 ( 0.000 -0.151 0.000) 0.151 3.082 ( 0.000 0.114 0.000) 0.114 3.162 ( 0.000 -6.775 0.000) 6.775 3.237 ( 0.000 -2.268 0.000) 2.268 3.249 ( 0.000 1.130 0.000) 1.130 3.379 ( 0.000 -3.647 0.000) 3.647 3.438 ( 0.000 4.415 0.000) 4.415 3.521 ( 0.000 1.624 0.000) 1.624 3.590 ( 0.000 0.639 0.000) 0.639 3.937 ( 0.000 -0.808 0.000) 0.808 4.195 ( 0.000 -7.601 0.000) 7.601 4.312 ( 0.000 -8.753 0.000) 8.753 4.343 ( 0.000 -6.219 0.000) 6.219 4.441 ( 0.000 -0.208 0.000) 0.208 4.671 ( 0.000 2.192 0.000) 2.192 4.778 ( 0.000 -3.381 0.000) 3.381 5.181 ( 0.000 -2.031 0.000) 2.031 5.275 ( 0.000 -4.366 0.000) 4.366 5.448 ( 0.000 3.436 0.000) 3.436 5.877 ( 0.000 0.739 0.000) 0.739 5.969 ( 0.000 6.924 0.000) 6.924 6.274 ( 0.000 1.332 0.000) 1.332 6.413 ( 0.000 2.363 0.000) 2.363 6.597 ( 0.000 -3.180 0.000) 3.180 6.894 ( 0.000 4.927 0.000) 4.927 7.072 ( 0.000 1.848 0.000) 1.848 7.254 ( 0.000 3.397 0.000) 3.397 7.292 ( 0.000 1.799 0.000) 1.799 7.738 ( 0.000 -3.561 0.000) 3.561 7.825 ( 0.000 -5.988 0.000) 5.988 7.925 ( 0.000 0.684 0.000) 0.684 8.320 ( 0.000 -4.422 0.000) 4.422 11.925 ( 0.000 0.052 0.000) 0.052 11.971 ( 0.000 -0.201 0.000) 0.201 13.082 ( 0.000 -1.078 0.000) 1.078 13.238 ( 0.000 -0.457 0.000) 0.457 13.505 ( 0.000 0.903 0.000) 0.903 13.784 ( 0.000 3.075 0.000) 3.075 13.971 ( 0.000 1.303 0.000) 1.303 14.495 ( 0.000 -12.750 0.000) 12.750 15.142 ( 0.000 2.699 0.000) 2.699 15.151 ( 0.000 7.050 0.000) 7.050 15.780 ( 0.000 6.262 0.000) 6.262 16.805 ( 0.000 -5.661 0.000) 5.661 17.604 ( 0.000 -1.086 0.000) 1.086 17.654 ( 0.000 -1.066 0.000) 1.066 17.966 ( 0.000 1.898 0.000) 1.898 17.974 ( 0.000 1.605 0.000) 1.605 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 11.214 8.023 -1.181) 13.839 0.464 ( 11.738 11.827 0.620) 16.675 0.802 ( 15.962 19.440 6.262) 25.922 1.076 ( -4.547 1.720 1.484) 5.083 1.114 ( 3.115 4.306 -0.193) 5.318 1.311 ( -1.171 4.146 -1.406) 4.532 1.318 ( -2.945 0.980 -3.302) 4.531 1.401 ( 1.993 4.198 -1.413) 4.857 1.437 ( -2.449 0.378 0.437) 2.516 1.477 ( 0.372 -3.160 1.084) 3.361 1.545 ( 0.133 2.639 -2.167) 3.417 1.590 ( 4.297 -0.202 -3.606) 5.613 1.626 ( -2.747 -0.125 -0.099) 2.752 1.685 ( 3.469 1.644 1.328) 4.062 1.733 ( 3.404 -0.734 4.919) 6.027 1.808 ( -1.424 0.210 3.561) 3.841 1.878 ( -1.266 1.209 -1.636) 2.396 1.963 ( 0.452 -2.411 -0.344) 2.477 2.033 ( -3.939 0.865 0.412) 4.054 2.079 ( 0.465 -2.332 -0.564) 2.444 2.127 ( -0.611 1.020 -0.579) 1.323 2.157 ( 0.054 -1.683 2.815) 3.280 2.236 ( -2.392 -0.209 2.464) 3.440 2.323 ( -0.433 2.833 0.217) 2.874 2.367 ( 1.116 1.500 0.046) 1.870 2.461 ( 0.003 -2.638 2.432) 3.588 2.469 ( -2.497 -1.498 1.779) 3.412 2.529 ( -0.765 -2.533 -0.455) 2.685 2.558 ( -0.607 -0.269 -1.834) 1.950 2.598 ( -1.144 -0.813 -10.033) 10.130 2.677 ( -1.425 -2.865 -0.880) 3.319 2.760 ( -5.825 -0.745 1.570) 6.079 2.842 ( 2.000 0.001 3.169) 3.747 2.902 ( -1.179 0.486 2.335) 2.660 2.962 ( -2.541 4.108 -2.127) 5.278 3.025 ( -3.665 -0.132 -2.799) 4.613 3.056 ( -0.666 -1.225 -3.355) 3.633 3.114 ( 2.898 1.716 4.657) 5.747 3.213 ( 4.710 -4.380 -5.223) 8.285 3.243 ( 0.359 -2.108 2.597) 3.364 3.275 ( 1.319 -0.247 3.705) 3.940 3.364 ( -1.819 1.658 -1.252) 2.761 3.425 ( -3.281 0.859 2.570) 4.255 3.491 ( 2.150 -2.452 0.513) 3.301 3.622 ( 1.367 -0.487 0.639) 1.586 3.823 ( -8.729 5.267 1.501) 10.305 4.127 ( -5.964 -2.422 3.869) 7.511 4.174 ( -3.641 -3.270 -0.073) 4.895 4.383 ( 5.008 -4.826 0.791) 7.000 4.486 ( 3.808 -3.329 1.522) 5.282 4.652 ( -0.861 1.561 0.227) 1.798 4.787 ( -0.866 -1.642 0.772) 2.011 5.125 ( -5.309 -0.919 -2.099) 5.782 5.193 ( -6.530 -2.089 -1.016) 6.930 5.519 ( 2.455 0.719 -10.230) 10.545 5.799 ( -5.581 0.462 -5.185) 7.632 5.872 ( -7.669 4.523 -4.935) 10.180 6.151 ( -4.266 8.402 1.869) 9.606 6.304 ( -8.773 -0.360 4.653) 9.937 6.883 ( 3.508 -9.595 1.642) 10.347 6.938 ( 1.819 -2.365 3.339) 4.477 7.131 ( 0.652 3.220 -4.262) 5.381 7.222 ( 8.765 -4.943 -4.402) 10.983 7.407 ( 7.742 4.685 1.583) 9.186 7.644 ( -7.083 -8.703 0.483) 11.231 7.940 ( 4.955 1.429 3.398) 6.176 7.961 ( 8.322 -4.653 -3.463) 10.144 8.372 ( 5.810 -0.640 -5.338) 7.916 11.918 ( -0.515 0.150 -0.797) 0.961 11.961 ( -0.365 -0.627 0.782) 1.067 13.150 ( 7.452 -1.772 0.107) 7.660 13.257 ( 0.115 1.401 -3.870) 4.117 13.757 ( 13.816 -11.161 7.560) 19.303 13.802 ( 2.511 2.318 -1.759) 3.844 13.962 ( -0.044 0.135 2.088) 2.093 14.528 ( 3.589 -15.461 -4.804) 16.583 15.111 ( -0.189 4.421 -3.058) 5.379 15.219 ( 3.485 1.523 6.258) 7.323 15.760 ( -1.996 5.895 0.128) 6.225 16.384 ( -27.150 20.574 6.038) 34.596 17.543 ( -1.762 0.605 0.375) 1.900 17.725 ( -0.271 -6.117 6.865) 9.199 17.959 ( 0.418 0.901 -1.939) 2.178 18.028 ( 3.045 1.622 4.596) 5.747 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 11.112 8.115 2.345) 13.958 0.720 ( 15.254 6.908 -2.628) 16.951 0.956 ( -3.560 0.854 -1.304) 3.886 1.092 ( 8.270 4.085 4.396) 10.218 1.227 ( 3.516 2.431 -2.365) 4.885 1.280 ( 0.694 2.178 -1.035) 2.510 1.318 ( 2.149 2.878 3.363) 4.920 1.370 ( -3.766 2.036 0.261) 4.289 1.406 ( -0.602 6.007 -3.366) 6.912 1.460 ( -1.687 0.153 -2.160) 2.745 1.523 ( -0.044 6.306 -2.496) 6.782 1.560 ( -4.328 -0.027 -0.651) 4.377 1.674 ( 1.248 3.572 -1.154) 3.956 1.728 ( 4.117 -0.523 -0.192) 4.155 1.791 ( 0.972 -4.596 4.476) 6.489 1.799 ( -1.646 1.115 5.704) 6.040 1.886 ( 1.106 -4.452 -2.340) 5.150 1.968 ( 3.666 2.185 1.915) 4.678 2.002 ( 0.605 -0.166 -1.782) 1.889 2.095 ( 1.075 1.172 -0.321) 1.623 2.116 ( -0.548 2.201 -1.153) 2.545 2.174 ( 1.636 -5.145 2.971) 6.162 2.216 ( 0.612 0.211 3.557) 3.615 2.305 ( -3.563 0.731 3.000) 4.715 2.365 ( -4.811 0.320 1.623) 5.088 2.385 ( -1.846 1.802 -1.368) 2.920 2.425 ( -2.913 -1.051 3.506) 4.677 2.472 ( -5.065 -5.190 -2.967) 7.836 2.551 ( 3.448 -2.573 -0.222) 4.308 2.607 ( 0.984 -0.110 -4.540) 4.647 2.671 ( -3.271 -0.454 -1.072) 3.472 2.690 ( 0.773 1.744 -1.954) 2.731 2.762 ( -5.158 -0.759 -0.243) 5.219 2.858 ( -6.719 4.488 -0.216) 8.083 2.904 ( -7.217 0.056 -4.805) 8.670 3.002 ( 3.222 0.585 2.647) 4.211 3.032 ( 0.595 -0.149 -3.068) 3.128 3.180 ( 3.069 4.178 3.389) 6.193 3.231 ( -0.745 -3.870 -4.606) 6.062 3.248 ( -3.805 0.058 0.912) 3.913 3.297 ( 2.465 -2.324 3.011) 4.532 3.343 ( -0.809 0.462 4.187) 4.289 3.398 ( 1.330 -1.067 -3.274) 3.691 3.574 ( 4.462 -4.557 2.582) 6.881 3.619 ( -0.877 -0.611 0.769) 1.317 3.743 ( -0.751 0.686 0.740) 1.258 4.062 ( -2.890 -1.865 0.916) 3.559 4.129 ( -0.622 -1.160 1.937) 2.342 4.491 ( 4.904 -6.848 -0.311) 8.429 4.560 ( 3.049 -5.770 1.551) 6.708 4.638 ( -0.046 -1.323 2.210) 2.576 4.750 ( -2.916 -0.416 0.997) 3.110 5.011 ( -5.649 0.310 -1.450) 5.840 5.061 ( -6.281 1.677 -2.257) 6.882 5.485 ( -3.419 4.380 -11.353) 12.640 5.672 ( -7.339 3.719 -3.910) 9.109 5.785 ( -0.441 -2.634 -1.001) 2.852 6.084 ( -3.423 6.369 3.076) 7.858 6.178 ( -5.655 -0.570 5.082) 7.625 6.710 ( -11.381 2.770 0.758) 11.737 6.922 ( -6.163 -4.791 -4.415) 8.968 7.211 ( 3.789 -3.612 1.932) 5.580 7.351 ( 2.240 -9.999 0.058) 10.247 7.465 ( 3.068 -1.111 0.960) 3.401 7.679 ( 8.716 0.521 -1.093) 8.799 8.032 ( 5.223 6.966 3.015) 9.214 8.107 ( 5.644 -8.532 -2.289) 10.482 8.486 ( 6.043 1.816 -3.968) 7.454 11.910 ( -0.088 0.292 -0.957) 1.004 11.962 ( 0.189 -1.021 0.764) 1.289 13.244 ( -0.723 2.314 -1.776) 3.005 13.314 ( 8.745 -3.086 0.300) 9.278 13.807 ( -1.063 1.653 1.471) 2.455 13.886 ( 2.016 1.549 -2.259) 3.401 14.035 ( 5.239 -6.859 3.545) 9.330 14.595 ( 3.656 -16.058 -4.213) 16.999 15.123 ( 1.428 3.319 -1.218) 3.813 15.279 ( 2.146 -1.786 3.455) 4.442 15.716 ( -2.484 5.165 0.202) 5.735 16.025 ( -13.236 20.019 5.802) 24.690 17.520 ( -1.047 0.175 1.035) 1.482 17.697 ( -2.271 -4.337 1.855) 5.235 17.969 ( 0.792 0.950 -2.510) 2.799 18.079 ( 1.715 1.284 4.305) 4.808 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 5.882 9.418 2.023) 11.287 0.906 ( -1.309 0.785 -2.208) 2.685 0.992 ( 12.824 4.695 -1.420) 13.731 1.136 ( 0.250 0.997 0.248) 1.058 1.210 ( -5.737 0.777 4.924) 7.600 1.278 ( -2.808 2.696 2.389) 4.567 1.284 ( -2.872 2.152 -5.466) 6.539 1.357 ( 0.008 5.197 -4.206) 6.686 1.425 ( 4.555 1.692 -1.280) 5.025 1.453 ( 1.027 0.262 -1.346) 1.714 1.487 ( -1.857 -0.005 -1.275) 2.253 1.548 ( -0.554 3.858 0.109) 3.899 1.657 ( -3.895 1.649 3.926) 5.771 1.745 ( -2.055 0.220 2.401) 3.168 1.813 ( 6.031 -2.400 -0.043) 6.491 1.848 ( 3.253 -0.868 1.813) 3.823 1.946 ( 4.318 2.307 1.384) 5.088 2.012 ( 0.313 -0.646 0.664) 0.978 2.024 ( -0.143 -1.475 -1.475) 2.091 2.068 ( -3.068 1.819 -2.648) 4.442 2.159 ( 3.609 0.869 1.154) 3.887 2.212 ( -1.057 -1.053 3.890) 4.166 2.235 ( -0.817 3.151 2.272) 3.970 2.252 ( 2.688 -3.493 0.896) 4.498 2.282 ( -0.854 -1.558 -0.173) 1.785 2.353 ( -3.289 -2.300 -1.916) 4.447 2.389 ( -3.032 0.650 0.197) 3.107 2.430 ( 2.622 -0.043 3.338) 4.245 2.555 ( -5.255 2.691 -2.389) 6.369 2.623 ( 1.789 -0.658 -2.805) 3.391 2.633 ( -3.270 3.589 -4.165) 6.397 2.646 ( -1.022 0.265 -1.182) 1.585 2.664 ( -2.377 2.829 -2.427) 4.421 2.743 ( -4.917 -2.899 2.344) 6.170 2.889 ( 4.194 0.779 0.939) 4.368 3.011 ( 1.668 -1.639 4.555) 5.120 3.087 ( 1.709 0.793 -2.667) 3.265 3.135 ( -6.298 -1.801 -3.977) 7.663 3.203 ( -0.664 -1.944 -1.718) 2.678 3.242 ( 1.388 3.157 1.486) 3.756 3.308 ( -0.416 -2.193 2.711) 3.512 3.348 ( 0.133 -0.055 1.068) 1.078 3.431 ( 1.600 -1.502 -1.841) 2.864 3.599 ( -0.317 -1.148 1.957) 2.291 3.649 ( 1.854 -3.470 0.369) 3.952 3.744 ( 0.201 -3.044 0.262) 3.062 4.022 ( -1.176 -0.276 0.199) 1.224 4.145 ( 1.156 -1.891 1.721) 2.806 4.525 ( -0.322 -8.797 -1.186) 8.882 4.560 ( -1.513 -2.477 0.072) 2.903 4.686 ( 2.265 -5.223 2.409) 6.182 4.708 ( -0.759 -1.976 0.032) 2.117 4.943 ( -1.556 2.169 -0.340) 2.691 4.984 ( -1.662 0.809 -1.224) 2.217 5.439 ( 1.068 7.268 -3.646) 8.201 5.532 ( -6.677 5.517 -3.590) 9.376 5.802 ( 0.985 -3.588 1.160) 3.898 6.051 ( -0.292 6.171 1.782) 6.430 6.099 ( -3.040 -0.528 1.564) 3.459 6.546 ( -5.207 2.215 0.273) 5.665 6.815 ( -3.451 -0.133 -2.003) 3.992 7.205 ( -1.677 -12.297 1.403) 12.489 7.389 ( 1.748 -12.820 -0.492) 12.948 7.546 ( 2.868 0.780 0.669) 3.047 7.812 ( 4.321 6.252 -0.596) 7.623 8.115 ( 2.616 8.271 0.971) 8.729 8.165 ( 1.265 -9.289 -0.495) 9.388 8.563 ( 2.255 2.923 -1.411) 3.953 11.910 ( 0.087 0.357 -0.418) 0.557 11.966 ( 0.123 -0.916 0.311) 0.975 13.232 ( -0.335 2.518 -0.522) 2.593 13.435 ( 3.550 -3.809 0.252) 5.213 13.780 ( -1.062 0.761 0.171) 1.318 13.916 ( 1.143 4.381 -0.734) 4.587 14.102 ( 1.652 -5.132 1.073) 5.497 14.640 ( 1.380 -14.225 -1.477) 14.368 15.147 ( 0.902 3.082 -0.364) 3.232 15.308 ( 0.715 -3.274 0.977) 3.490 15.681 ( -1.070 4.855 0.114) 4.973 15.872 ( -4.171 15.366 2.051) 16.053 17.507 ( -0.405 0.146 0.412) 0.596 17.665 ( -0.999 -3.527 0.307) 3.679 17.978 ( 0.340 1.289 -1.101) 1.729 18.104 ( 0.549 0.920 1.635) 1.955 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 0.000 14.707 0.000) 14.707 0.639 ( 0.000 14.031 0.000) 14.031 1.132 ( 0.000 13.396 0.000) 13.396 1.167 ( 0.000 10.887 0.000) 10.887 1.265 ( 0.000 -2.500 0.000) 2.500 1.322 ( 0.000 -0.033 0.000) 0.033 1.328 ( 0.000 3.470 0.000) 3.470 1.330 ( 0.000 -3.007 0.000) 3.007 1.422 ( 0.000 0.401 0.000) 0.401 1.532 ( 0.000 -0.141 0.000) 0.141 1.567 ( 0.000 6.340 0.000) 6.340 1.610 ( 0.000 1.850 0.000) 1.850 1.639 ( 0.000 1.424 0.000) 1.424 1.646 ( 0.000 2.632 0.000) 2.632 1.750 ( 0.000 -1.537 0.000) 1.537 1.769 ( 0.000 1.268 0.000) 1.268 1.950 ( 0.000 2.216 0.000) 2.216 1.978 ( 0.000 0.471 0.000) 0.471 2.010 ( 0.000 -5.963 0.000) 5.963 2.041 ( 0.000 0.047 0.000) 0.047 2.105 ( 0.000 -2.897 0.000) 2.897 2.211 ( 0.000 4.081 0.000) 4.081 2.275 ( 0.000 -7.254 0.000) 7.254 2.292 ( 0.000 3.115 0.000) 3.115 2.418 ( 0.000 2.531 0.000) 2.531 2.483 ( 0.000 5.090 0.000) 5.090 2.490 ( 0.000 -0.249 0.000) 0.249 2.508 ( 0.000 -1.935 0.000) 1.935 2.536 ( 0.000 3.084 0.000) 3.084 2.652 ( 0.000 1.521 0.000) 1.521 2.653 ( 0.000 -6.962 0.000) 6.962 2.675 ( 0.000 -5.722 0.000) 5.722 2.888 ( 0.000 2.811 0.000) 2.811 2.912 ( 0.000 -3.268 0.000) 3.268 2.967 ( 0.000 -5.838 0.000) 5.838 3.003 ( 0.000 0.079 0.000) 0.079 3.041 ( 0.000 0.760 0.000) 0.760 3.073 ( 0.000 2.225 0.000) 2.225 3.152 ( 0.000 1.753 0.000) 1.753 3.202 ( 0.000 -0.934 0.000) 0.934 3.276 ( 0.000 0.852 0.000) 0.852 3.339 ( 0.000 0.118 0.000) 0.118 3.495 ( 0.000 0.237 0.000) 0.237 3.515 ( 0.000 -2.466 0.000) 2.466 3.619 ( 0.000 3.004 0.000) 3.004 3.899 ( 0.000 -3.760 0.000) 3.760 4.049 ( 0.000 -6.890 0.000) 6.890 4.096 ( 0.000 -9.947 0.000) 9.947 4.240 ( 0.000 -5.120 0.000) 5.120 4.349 ( 0.000 -7.662 0.000) 7.662 4.697 ( 0.000 0.386 0.000) 0.386 4.709 ( 0.000 -2.930 0.000) 2.930 5.162 ( 0.000 -0.985 0.000) 0.985 5.181 ( 0.000 -4.383 0.000) 4.383 5.559 ( 0.000 8.244 0.000) 8.244 5.885 ( 0.000 -0.216 0.000) 0.216 6.104 ( 0.000 5.845 0.000) 5.845 6.368 ( 0.000 8.048 0.000) 8.048 6.421 ( 0.000 -3.711 0.000) 3.711 6.590 ( 0.000 3.813 0.000) 3.813 6.963 ( 0.000 1.649 0.000) 1.649 6.999 ( 0.000 -6.209 0.000) 6.209 7.338 ( 0.000 3.931 0.000) 3.931 7.418 ( 0.000 7.369 0.000) 7.369 7.660 ( 0.000 -3.360 0.000) 3.360 7.675 ( 0.000 -7.928 0.000) 7.928 7.945 ( 0.000 1.266 0.000) 1.266 8.205 ( 0.000 -6.784 0.000) 6.784 11.929 ( 0.000 0.375 0.000) 0.375 11.964 ( 0.000 -0.446 0.000) 0.446 13.064 ( 0.000 -0.410 0.000) 0.410 13.199 ( 0.000 -3.417 0.000) 3.417 13.571 ( 0.000 5.987 0.000) 5.987 13.858 ( 0.000 4.135 0.000) 4.135 13.994 ( 0.000 0.628 0.000) 0.628 14.222 ( 0.000 -14.166 0.000) 14.166 15.207 ( 0.000 3.643 0.000) 3.643 15.266 ( 0.000 4.108 0.000) 4.108 15.953 ( 0.000 10.825 0.000) 10.825 16.650 ( 0.000 -9.842 0.000) 9.842 17.585 ( 0.000 -0.615 0.000) 0.615 17.628 ( 0.000 -1.450 0.000) 1.450 18.006 ( 0.000 1.894 0.000) 1.894 18.008 ( 0.000 1.617 0.000) 1.617 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 5.621 11.333 -1.465) 12.735 0.707 ( 6.868 11.812 2.064) 13.818 1.102 ( -8.667 1.111 1.858) 8.933 1.189 ( 1.822 7.539 0.332) 7.763 1.206 ( 5.185 9.466 0.475) 10.804 1.307 ( 1.341 2.370 -3.043) 4.084 1.369 ( 0.489 -3.706 1.152) 3.911 1.408 ( -0.766 0.345 0.126) 0.849 1.457 ( -0.053 3.781 -3.870) 5.411 1.498 ( 6.160 2.429 -1.542) 6.799 1.597 ( -1.598 5.278 -0.803) 5.572 1.602 ( 2.321 -0.482 0.504) 2.423 1.667 ( -2.851 0.699 0.980) 3.095 1.687 ( 4.940 -1.429 -0.257) 5.149 1.729 ( 4.250 4.829 3.619) 7.381 1.814 ( 1.428 -0.154 -1.672) 2.204 1.905 ( -3.806 2.324 0.725) 4.518 1.978 ( -0.162 1.356 -1.960) 2.389 2.033 ( -0.591 -3.550 -0.020) 3.599 2.046 ( 1.768 -1.506 0.815) 2.462 2.095 ( -0.685 1.512 0.784) 1.836 2.168 ( -2.378 0.248 -0.330) 2.414 2.257 ( -3.850 -1.951 5.311) 6.843 2.283 ( -0.610 -0.769 0.722) 1.219 2.392 ( 0.131 0.749 0.998) 1.255 2.439 ( -0.711 3.058 0.717) 3.220 2.491 ( -5.102 -4.443 0.212) 6.769 2.515 ( -1.491 2.899 2.083) 3.868 2.539 ( -2.173 -0.185 1.027) 2.410 2.564 ( -0.581 -1.270 -4.908) 5.103 2.630 ( 1.591 -1.887 -4.199) 4.870 2.756 ( -4.857 0.771 2.002) 5.309 2.801 ( -1.879 -4.968 2.386) 5.823 2.905 ( 0.264 0.307 -2.636) 2.667 2.992 ( 1.203 -0.644 -7.492) 7.615 2.995 ( 1.834 -5.230 0.621) 5.577 3.058 ( -0.444 3.574 -0.739) 3.676 3.140 ( 3.919 0.831 1.805) 4.393 3.162 ( 1.711 -0.137 -2.880) 3.352 3.226 ( 2.530 0.881 4.163) 4.950 3.289 ( 0.070 1.353 2.279) 2.651 3.348 ( 1.019 -1.407 1.129) 2.072 3.426 ( -5.784 -1.272 0.854) 5.984 3.493 ( -2.208 -0.050 -1.197) 2.511 3.608 ( -0.888 0.472 0.575) 1.158 3.832 ( -6.328 -2.938 -0.079) 6.977 4.049 ( -1.390 -4.544 1.783) 5.075 4.065 ( -0.558 -6.337 0.245) 6.367 4.268 ( 3.409 -6.101 0.358) 6.998 4.359 ( 1.004 -8.171 0.774) 8.269 4.672 ( -1.760 0.284 -0.279) 1.804 4.735 ( 0.606 -3.125 1.021) 3.343 5.116 ( -4.621 -1.044 1.159) 4.877 5.152 ( -2.644 -1.690 0.094) 3.139 5.591 ( 2.693 6.739 -6.372) 9.657 5.824 ( -5.316 1.363 -6.312) 8.364 5.982 ( -10.247 5.906 -3.365) 12.297 6.297 ( -10.443 1.851 -1.423) 10.700 6.311 ( -3.957 5.115 7.664) 10.028 6.693 ( 6.839 -6.199 4.916) 10.458 6.929 ( -4.083 -0.730 5.419) 6.824 7.075 ( 2.687 -7.080 -6.670) 10.092 7.247 ( -2.556 4.092 -0.876) 4.904 7.455 ( -9.235 -6.408 -4.341) 12.050 7.573 ( 8.828 6.941 1.483) 11.327 7.861 ( 11.070 -3.057 0.320) 11.489 8.011 ( 6.295 2.819 2.177) 7.233 8.294 ( 8.215 -5.998 -0.856) 10.208 11.923 ( -0.392 0.426 -0.503) 0.767 11.953 ( -0.815 -0.332 0.605) 1.068 13.121 ( 6.036 -0.734 0.060) 6.081 13.259 ( 3.889 -1.944 -2.124) 4.839 13.639 ( 6.991 -0.232 3.434) 7.793 13.882 ( 1.870 4.742 0.656) 5.140 13.962 ( -2.504 -1.383 1.496) 3.228 14.259 ( 3.581 -11.979 -2.757) 12.803 15.199 ( -0.217 4.299 -1.950) 4.725 15.281 ( 1.189 3.009 0.482) 3.271 15.924 ( -2.932 10.282 0.416) 10.700 16.506 ( -13.314 -3.218 1.398) 13.769 17.555 ( -1.866 0.581 -0.460) 2.008 17.637 ( -0.352 -3.004 2.436) 3.883 17.988 ( -0.087 1.889 -0.727) 2.026 18.054 ( 2.529 0.751 1.667) 3.121 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 11.576 6.787 -0.169) 13.419 0.879 ( 10.470 7.293 1.463) 12.843 0.987 ( -3.161 2.728 0.316) 4.187 1.227 ( 1.334 4.831 2.030) 5.407 1.262 ( 1.069 1.142 2.141) 2.652 1.311 ( -1.237 4.322 -4.578) 6.417 1.358 ( -0.443 -2.918 -3.129) 4.302 1.411 ( 0.402 3.410 1.732) 3.845 1.461 ( 0.231 3.673 -3.184) 4.867 1.552 ( -1.744 8.157 0.854) 8.385 1.571 ( -0.252 1.029 -2.627) 2.832 1.639 ( 1.752 -1.037 1.564) 2.567 1.676 ( 1.106 0.769 -1.648) 2.128 1.722 ( -3.049 -0.874 -0.997) 3.325 1.779 ( 1.537 -0.684 -2.071) 2.668 1.833 ( 0.876 4.328 4.733) 6.473 1.862 ( 2.561 3.472 -1.111) 4.455 1.976 ( -0.316 -1.511 -2.633) 3.052 2.049 ( 3.040 3.319 0.539) 4.533 2.067 ( 0.071 -1.710 -0.032) 1.712 2.089 ( 0.640 -0.458 3.262) 3.356 2.182 ( 1.454 -3.784 5.531) 6.858 2.224 ( 1.633 3.162 3.435) 4.946 2.266 ( -1.387 -3.431 1.042) 3.845 2.343 ( -5.143 -0.602 3.132) 6.051 2.398 ( -4.501 1.562 0.484) 4.789 2.428 ( -5.808 0.979 -1.204) 6.012 2.451 ( 0.240 2.233 -0.544) 2.311 2.523 ( 3.618 -0.751 0.602) 3.744 2.589 ( 1.772 -1.919 -1.499) 3.011 2.665 ( -0.466 -1.009 -0.202) 1.130 2.683 ( -0.584 -2.576 -2.547) 3.670 2.727 ( -3.315 -0.875 0.217) 3.435 2.901 ( -5.467 0.373 -1.595) 5.707 2.950 ( -3.840 3.649 -5.194) 7.419 3.005 ( -0.807 -0.918 0.453) 1.303 3.068 ( 2.320 2.802 -2.963) 4.692 3.142 ( -1.705 -3.314 -3.520) 5.126 3.230 ( 2.879 -2.291 1.800) 4.096 3.250 ( -5.309 0.314 -0.977) 5.407 3.291 ( 2.269 2.411 6.882) 7.637 3.338 ( 0.111 -0.262 1.674) 1.698 3.361 ( 0.208 -2.438 -4.949) 5.521 3.499 ( 2.668 -2.048 3.030) 4.527 3.593 ( -0.773 -1.290 1.571) 2.175 3.726 ( -4.368 -2.300 0.581) 4.971 4.026 ( -1.171 -1.822 0.961) 2.369 4.066 ( 0.448 -4.609 1.229) 4.792 4.341 ( 2.647 -7.621 -0.684) 8.097 4.393 ( 3.070 -9.330 1.738) 9.975 4.626 ( -3.187 -0.424 -0.168) 3.219 4.716 ( -2.383 -3.019 0.655) 3.902 5.028 ( -3.990 1.220 0.657) 4.224 5.089 ( -3.701 0.831 -1.196) 3.977 5.595 ( -1.963 6.030 -8.742) 10.800 5.707 ( -4.927 1.129 -4.308) 6.642 5.843 ( -3.062 6.795 0.522) 7.471 6.136 ( -5.317 0.609 -0.527) 5.378 6.242 ( -5.233 5.433 7.065) 10.335 6.721 ( -7.013 -3.963 5.161) 9.567 6.825 ( -1.998 -3.195 -2.611) 4.585 7.095 ( -0.001 -8.815 -3.766) 9.586 7.169 ( -10.650 -5.199 -1.268) 11.919 7.345 ( 3.806 -7.898 2.239) 9.049 7.802 ( 12.142 8.560 -0.989) 14.889 8.028 ( 6.435 -0.648 -0.548) 6.491 8.151 ( 7.535 5.187 2.020) 9.368 8.453 ( 7.964 -4.201 -0.820) 9.042 11.918 ( -0.005 0.505 -0.584) 0.772 11.946 ( 0.011 -0.530 0.660) 0.846 13.257 ( 7.403 -1.955 0.176) 7.659 13.294 ( 0.522 2.019 -1.817) 2.766 13.785 ( 5.435 -5.327 2.440) 7.992 13.881 ( -0.103 -1.342 -1.144) 1.767 13.970 ( 2.487 1.950 2.825) 4.239 14.328 ( 3.806 -10.397 -2.240) 11.296 15.204 ( 0.981 4.418 -1.453) 4.753 15.301 ( 0.791 1.920 -0.292) 2.096 15.860 ( -3.540 9.014 0.548) 9.700 16.249 ( -12.814 3.443 2.143) 13.440 17.527 ( -1.140 0.628 0.348) 1.347 17.619 ( -1.454 -3.172 0.961) 3.619 17.995 ( 0.861 1.774 -1.339) 2.384 18.095 ( 1.475 0.080 2.189) 2.641 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 6.628 5.232 -0.643) 8.469 0.949 ( 1.893 4.547 -0.040) 4.926 1.107 ( 10.615 5.776 3.332) 12.536 1.185 ( -4.531 3.788 -1.955) 6.221 1.256 ( -2.973 4.108 6.540) 8.275 1.312 ( -3.711 -1.396 -3.398) 5.222 1.317 ( 1.698 2.916 -0.678) 3.442 1.438 ( 1.563 0.796 -3.561) 3.969 1.453 ( -0.257 1.071 -7.035) 7.120 1.505 ( -4.184 5.990 7.061) 10.161 1.527 ( 0.457 5.770 -5.720) 8.138 1.611 ( -0.868 1.456 -2.856) 3.321 1.665 ( -3.979 -3.025 6.199) 7.963 1.743 ( 2.857 0.773 0.968) 3.114 1.779 ( 2.079 -0.233 -1.283) 2.454 1.860 ( -2.530 1.109 3.491) 4.452 1.949 ( 4.818 -0.984 -1.292) 5.084 1.988 ( 4.084 -0.483 -5.649) 6.988 2.041 ( -2.437 2.339 2.649) 4.293 2.085 ( 0.696 -6.700 3.703) 7.687 2.099 ( -2.386 -0.297 -0.206) 2.414 2.169 ( -1.772 -2.956 -2.368) 4.182 2.232 ( -1.721 -0.182 2.624) 3.143 2.282 ( 1.637 4.582 1.930) 5.235 2.330 ( 0.699 1.388 1.259) 2.000 2.335 ( 1.848 2.484 -0.140) 3.099 2.382 ( -0.242 -1.289 1.520) 2.007 2.501 ( 3.930 6.683 3.499) 8.507 2.564 ( -1.052 -2.397 -1.117) 2.847 2.596 ( 0.882 1.187 -1.144) 1.869 2.639 ( -4.446 -2.239 0.386) 4.993 2.671 ( -0.143 -0.821 -1.095) 1.376 2.687 ( -0.199 -1.017 -0.413) 1.116 2.779 ( -5.318 7.117 -6.270) 10.875 2.894 ( 1.077 0.201 0.413) 1.171 2.995 ( 0.365 0.395 5.462) 5.489 3.072 ( -3.912 -3.123 -4.879) 6.990 3.117 ( 0.587 0.962 -2.163) 2.439 3.140 ( -3.804 -2.492 -1.323) 4.736 3.242 ( -0.395 -3.963 2.223) 4.561 3.337 ( 1.842 2.079 -2.190) 3.537 3.353 ( 0.433 -1.149 2.793) 3.051 3.397 ( 2.038 1.196 -1.369) 2.731 3.553 ( 2.136 -4.695 1.768) 5.452 3.584 ( -0.364 -0.711 1.372) 1.587 3.667 ( -2.165 -4.318 0.231) 4.836 4.010 ( -0.516 -0.892 0.009) 1.031 4.086 ( 1.059 -3.933 1.551) 4.359 4.350 ( -0.451 -7.894 -0.995) 7.969 4.448 ( 1.173 -8.799 0.871) 8.919 4.578 ( -0.914 -3.157 0.111) 3.288 4.669 ( -2.101 -3.403 -0.396) 4.019 4.993 ( 0.167 2.745 0.486) 2.793 5.025 ( -2.774 2.422 -1.250) 3.888 5.563 ( 0.955 5.289 -0.891) 5.448 5.625 ( -4.201 2.957 -2.576) 5.747 5.836 ( 0.975 6.967 -0.658) 7.065 6.092 ( -1.221 0.106 0.359) 1.277 6.162 ( -2.090 5.249 2.231) 6.075 6.568 ( -6.188 -1.065 1.069) 6.369 6.838 ( 1.905 0.602 -1.432) 2.458 6.970 ( -6.715 -8.513 1.434) 10.938 7.106 ( -0.208 -14.027 -2.094) 14.184 7.424 ( 2.584 -11.517 1.139) 11.858 7.973 ( 5.525 8.379 -0.407) 10.045 8.095 ( 1.162 1.259 -0.354) 1.749 8.261 ( 3.314 6.448 0.787) 7.292 8.559 ( 3.052 -2.729 -0.326) 4.107 11.920 ( 0.107 0.557 -0.263) 0.625 11.950 ( 0.164 -0.637 0.280) 0.715 13.293 ( -0.088 3.321 -0.588) 3.374 13.361 ( 3.059 -2.880 0.121) 4.203 13.795 ( -1.045 -0.519 0.346) 1.217 13.943 ( 3.553 -8.575 -1.463) 9.397 14.007 ( 0.588 3.755 2.301) 4.443 14.380 ( 1.604 -10.380 -0.729) 10.528 15.222 ( 0.781 4.148 -0.462) 4.246 15.310 ( 0.226 1.483 -0.322) 1.534 15.812 ( -1.349 7.989 0.247) 8.106 16.076 ( -5.274 5.077 0.997) 7.389 17.513 ( -0.414 0.528 0.189) 0.697 17.597 ( -0.719 -2.951 0.174) 3.043 18.008 ( 0.492 1.826 -0.697) 2.015 18.114 ( 0.423 -0.132 1.006) 1.099 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 15.295 0.000) 15.295 0.879 ( 0.000 10.392 0.000) 10.392 1.061 ( 0.000 -8.526 0.000) 8.526 1.093 ( 0.000 -12.893 0.000) 12.893 1.308 ( 0.000 2.690 0.000) 2.690 1.325 ( 0.000 0.627 0.000) 0.627 1.402 ( 0.000 3.012 0.000) 3.012 1.443 ( 0.000 0.688 0.000) 0.688 1.505 ( 0.000 5.127 0.000) 5.127 1.553 ( 0.000 4.670 0.000) 4.670 1.587 ( 0.000 -1.866 0.000) 1.866 1.610 ( 0.000 -1.800 0.000) 1.800 1.749 ( 0.000 5.855 0.000) 5.855 1.750 ( 0.000 3.874 0.000) 3.874 1.777 ( 0.000 4.522 0.000) 4.522 1.822 ( 0.000 1.712 0.000) 1.712 1.924 ( 0.000 0.940 0.000) 0.940 1.942 ( 0.000 -2.264 0.000) 2.264 1.987 ( 0.000 1.222 0.000) 1.222 2.012 ( 0.000 -1.628 0.000) 1.628 2.020 ( 0.000 -2.991 0.000) 2.991 2.164 ( 0.000 -8.188 0.000) 8.188 2.317 ( 0.000 5.243 0.000) 5.243 2.352 ( 0.000 2.876 0.000) 2.876 2.410 ( 0.000 -2.892 0.000) 2.892 2.411 ( 0.000 -5.249 0.000) 5.249 2.467 ( 0.000 -2.310 0.000) 2.310 2.468 ( 0.000 -3.445 0.000) 3.445 2.571 ( 0.000 1.973 0.000) 1.973 2.608 ( 0.000 -0.492 0.000) 0.492 2.672 ( 0.000 4.264 0.000) 4.264 2.716 ( 0.000 7.184 0.000) 7.184 2.795 ( 0.000 -7.172 0.000) 7.172 2.856 ( 0.000 -6.403 0.000) 6.403 2.980 ( 0.000 4.932 0.000) 4.932 3.029 ( 0.000 3.268 0.000) 3.268 3.041 ( 0.000 -1.704 0.000) 1.704 3.115 ( 0.000 -3.855 0.000) 3.855 3.186 ( 0.000 6.856 0.000) 6.856 3.253 ( 0.000 5.298 0.000) 5.298 3.265 ( 0.000 -1.878 0.000) 1.878 3.363 ( 0.000 -0.719 0.000) 0.719 3.434 ( 0.000 -3.469 0.000) 3.469 3.460 ( 0.000 -2.835 0.000) 2.835 3.695 ( 0.000 4.157 0.000) 4.157 3.789 ( 0.000 -5.921 0.000) 5.921 3.949 ( 0.000 -2.526 0.000) 2.526 3.965 ( 0.000 -3.802 0.000) 3.802 4.171 ( 0.000 -1.063 0.000) 1.063 4.211 ( 0.000 -5.058 0.000) 5.058 4.677 ( 0.000 -0.226 0.000) 0.226 4.689 ( 0.000 -0.945 0.000) 0.945 5.125 ( 0.000 -1.050 0.000) 1.050 5.133 ( 0.000 -1.454 0.000) 1.454 5.736 ( 0.000 8.354 0.000) 8.354 5.854 ( 0.000 -3.432 0.000) 3.432 6.206 ( 0.000 5.058 0.000) 5.058 6.314 ( 0.000 -5.929 0.000) 5.929 6.541 ( 0.000 8.166 0.000) 8.166 6.645 ( 0.000 -1.088 0.000) 1.088 6.925 ( 0.000 0.164 0.000) 0.164 6.962 ( 0.000 -1.633 0.000) 1.633 7.382 ( 0.000 1.551 0.000) 1.551 7.447 ( 0.000 -4.442 0.000) 4.442 7.609 ( 0.000 1.617 0.000) 1.617 7.630 ( 0.000 -0.316 0.000) 0.316 7.985 ( 0.000 3.125 0.000) 3.125 8.074 ( 0.000 -5.926 0.000) 5.926 11.939 ( 0.000 0.672 0.000) 0.672 11.953 ( 0.000 -0.670 0.000) 0.670 13.075 ( 0.000 1.572 0.000) 1.572 13.126 ( 0.000 -3.471 0.000) 3.471 13.730 ( 0.000 9.910 0.000) 9.910 13.929 ( 0.000 0.193 0.000) 0.193 13.961 ( 0.000 -9.452 0.000) 9.452 13.986 ( 0.000 -1.491 0.000) 1.491 15.274 ( 0.000 2.898 0.000) 2.898 15.306 ( 0.000 0.018 0.000) 0.018 16.187 ( 0.000 12.504 0.000) 12.504 16.431 ( 0.000 -12.057 0.000) 12.057 17.583 ( 0.000 0.439 0.000) 0.439 17.601 ( 0.000 -1.238 0.000) 1.238 18.032 ( 0.000 0.682 0.000) 0.682 18.032 ( 0.000 0.671 0.000) 0.671 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -0.073 11.403 -0.776) 11.430 0.885 ( 1.253 4.213 1.040) 4.517 1.077 ( -0.803 -2.400 0.790) 2.651 1.130 ( 3.608 -6.980 0.726) 7.891 1.278 ( -1.149 1.853 0.545) 2.248 1.309 ( -0.901 -0.892 -0.636) 1.419 1.430 ( 2.243 2.115 2.311) 3.853 1.465 ( 1.861 -0.112 -0.519) 1.935 1.536 ( 1.026 2.992 -0.251) 3.173 1.552 ( 1.301 4.923 -3.384) 6.114 1.588 ( 0.149 0.848 1.328) 1.582 1.660 ( 4.775 -0.860 -2.540) 5.476 1.689 ( -2.927 2.983 -4.926) 6.460 1.745 ( -0.808 6.193 -0.946) 6.317 1.785 ( -2.002 -1.972 -2.004) 3.451 1.819 ( 1.426 -0.423 -1.118) 1.861 1.917 ( -1.173 0.535 2.439) 2.759 1.976 ( 2.930 -4.448 2.483) 5.877 2.004 ( 0.089 1.868 -0.668) 1.986 2.021 ( 2.109 2.019 1.731) 3.394 2.072 ( 4.999 -0.389 1.951) 5.380 2.166 ( -0.481 -5.778 3.005) 6.530 2.263 ( -5.659 6.557 -2.005) 8.890 2.343 ( -2.068 0.888 2.233) 3.171 2.387 ( 1.868 1.249 1.646) 2.785 2.422 ( -2.897 -0.689 4.002) 4.988 2.462 ( 1.031 -1.225 2.888) 3.302 2.512 ( 1.500 -2.298 -0.924) 2.895 2.541 ( -0.263 -0.547 1.072) 1.232 2.569 ( -5.293 -1.441 1.369) 5.654 2.619 ( -6.348 2.011 -1.832) 6.907 2.709 ( 3.678 -2.159 -0.522) 4.296 2.752 ( -3.796 -0.315 -1.399) 4.058 2.835 ( -2.873 -5.897 -2.918) 7.180 2.994 ( 0.808 3.067 -2.557) 4.074 2.996 ( 2.822 1.711 -7.061) 7.794 3.098 ( -0.259 -0.248 -0.592) 0.692 3.144 ( 3.069 -2.575 -0.642) 4.057 3.207 ( 0.267 7.097 -1.010) 7.173 3.266 ( 0.907 2.026 5.638) 6.059 3.305 ( 2.363 -0.041 5.543) 6.026 3.340 ( -1.060 -0.870 0.378) 1.422 3.392 ( -3.619 -1.323 -1.049) 3.994 3.427 ( -2.418 -4.713 -3.034) 6.104 3.664 ( -2.909 4.069 0.926) 5.087 3.749 ( -3.839 -4.589 0.551) 6.008 3.965 ( 1.310 -2.667 -0.124) 2.974 3.973 ( 0.742 -3.013 0.903) 3.232 4.186 ( 1.692 -1.429 0.115) 2.218 4.221 ( 0.992 -4.862 0.297) 4.971 4.670 ( -1.257 -0.041 -0.191) 1.272 4.685 ( -0.568 -1.675 0.430) 1.820 5.100 ( -2.409 0.101 1.699) 2.950 5.120 ( -1.462 -1.601 0.573) 2.242 5.738 ( 0.021 6.714 -6.836) 9.582 5.824 ( -3.130 -1.885 -7.240) 8.109 6.102 ( -8.914 6.467 0.216) 11.015 6.229 ( -7.547 -5.813 4.160) 10.395 6.473 ( -5.854 8.160 2.534) 10.357 6.604 ( -2.461 -4.777 4.622) 7.087 6.921 ( -2.647 0.699 3.856) 4.729 6.967 ( -0.871 -3.795 -1.626) 4.219 7.285 ( -6.197 0.910 -3.545) 7.198 7.333 ( -9.451 -4.544 -4.541) 11.428 7.720 ( 11.876 6.402 0.230) 13.494 7.810 ( 12.424 -2.918 0.895) 12.793 8.073 ( 8.303 3.889 1.727) 9.330 8.171 ( 8.930 -5.941 0.847) 10.759 11.934 ( -0.427 0.599 -0.116) 0.745 11.945 ( -0.643 -0.488 0.271) 0.852 13.131 ( 5.654 1.878 0.061) 5.958 13.192 ( 5.946 -3.939 -0.272) 7.138 13.718 ( -0.572 7.084 0.210) 7.110 13.873 ( -4.462 -7.314 0.035) 8.568 13.979 ( 3.921 4.656 0.839) 6.145 14.079 ( 5.529 -6.209 -0.447) 8.326 15.274 ( 0.185 3.129 -1.134) 3.333 15.310 ( 0.435 -0.257 -0.643) 0.818 16.145 ( -4.279 11.641 0.501) 12.413 16.363 ( -6.869 -9.995 0.655) 12.146 17.569 ( -1.247 0.919 -0.247) 1.569 17.593 ( -0.869 -1.623 0.479) 1.902 18.026 ( 0.226 1.865 0.019) 1.878 18.054 ( 1.357 -0.775 0.636) 1.687 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 7.385 6.378 -0.490) 9.770 0.936 ( 3.729 -1.329 -0.809) 4.041 1.085 ( 2.856 5.585 3.401) 7.136 1.184 ( 2.353 -5.199 1.410) 5.879 1.276 ( 0.699 1.148 0.942) 1.641 1.307 ( 0.927 -1.131 -0.737) 1.638 1.446 ( -1.842 4.009 2.343) 4.996 1.481 ( -0.312 1.563 -0.042) 1.595 1.553 ( 0.190 4.223 -4.194) 5.955 1.578 ( -0.227 -0.180 2.382) 2.400 1.600 ( 0.589 1.245 -1.704) 2.191 1.629 ( -0.749 -2.348 -3.007) 3.888 1.702 ( -3.946 3.148 -1.730) 5.336 1.735 ( 2.477 -2.209 -6.144) 6.983 1.775 ( 1.464 3.076 -3.019) 4.552 1.840 ( 1.060 -2.972 -1.741) 3.604 1.919 ( 1.891 2.986 2.309) 4.221 1.979 ( -1.473 3.440 -1.264) 3.950 2.040 ( -0.071 -5.752 6.933) 9.009 2.057 ( 0.696 -4.083 0.099) 4.143 2.133 ( 0.422 2.388 -0.206) 2.434 2.150 ( -2.672 2.879 1.632) 4.254 2.184 ( 1.991 2.849 2.493) 4.278 2.309 ( -3.717 -3.811 8.016) 9.623 2.355 ( -3.470 5.706 0.685) 6.713 2.408 ( -1.273 1.262 1.372) 2.258 2.440 ( -4.459 -1.898 -3.071) 5.737 2.474 ( 1.699 -3.505 1.878) 4.324 2.523 ( 2.994 0.959 0.764) 3.235 2.578 ( 1.856 -4.277 -1.161) 4.804 2.621 ( 3.949 7.974 0.941) 8.947 2.679 ( -2.854 1.725 -0.176) 3.339 2.708 ( -3.641 -1.173 -2.136) 4.381 2.856 ( 4.803 -9.780 2.061) 11.089 2.959 ( -3.105 3.099 -3.179) 5.418 3.032 ( -1.008 -2.089 -2.067) 3.106 3.096 ( -0.611 5.654 -3.165) 6.508 3.162 ( -2.160 3.669 -3.531) 5.532 3.199 ( 2.003 -1.773 -0.445) 2.712 3.241 ( -4.760 -2.248 2.471) 5.816 3.259 ( -3.019 -0.989 -0.414) 3.203 3.290 ( -5.209 -3.754 -3.238) 7.191 3.409 ( 4.876 3.371 1.577) 6.134 3.459 ( 4.058 -2.306 2.732) 5.408 3.610 ( -2.671 2.901 1.884) 4.370 3.671 ( -4.223 -2.966 1.260) 5.312 3.986 ( 0.961 -2.258 0.075) 2.455 3.989 ( 0.753 -1.995 1.126) 2.412 4.227 ( 2.023 -2.899 0.069) 3.535 4.247 ( 1.830 -4.672 0.768) 5.076 4.623 ( -3.704 0.429 -0.805) 3.815 4.654 ( -2.945 -2.694 -0.203) 3.997 5.057 ( -1.947 1.676 0.957) 2.741 5.087 ( -1.973 -1.036 -0.004) 2.228 5.693 ( -3.554 3.492 -7.055) 8.637 5.727 ( -4.729 0.045 -5.537) 7.281 5.997 ( -1.713 8.072 2.424) 8.601 6.119 ( -3.882 -3.443 2.143) 5.614 6.369 ( -5.921 7.985 4.037) 10.729 6.554 ( -4.169 -10.290 4.750) 12.076 6.828 ( -5.464 2.525 -1.634) 6.237 6.925 ( -3.110 -7.278 -3.381) 8.607 7.141 ( -9.005 1.484 -1.256) 9.212 7.211 ( -2.372 -5.374 0.731) 5.920 7.950 ( 11.212 5.773 -1.067) 12.656 8.020 ( 9.140 -1.423 -0.319) 9.255 8.248 ( 9.060 4.979 1.726) 10.481 8.352 ( 9.207 -5.520 0.968) 10.778 11.929 ( -0.019 0.527 -0.119) 0.541 11.938 ( -0.079 -0.387 0.311) 0.503 13.252 ( 6.282 1.422 0.172) 6.444 13.295 ( 4.233 -1.940 -0.547) 4.689 13.731 ( 2.001 1.212 0.515) 2.395 13.806 ( -2.435 -5.069 -0.446) 5.641 14.057 ( 3.745 5.401 0.894) 6.633 14.170 ( 4.125 -6.372 -0.304) 7.597 15.282 ( 0.745 3.165 -1.127) 3.441 15.318 ( 0.535 -0.441 -0.868) 1.111 16.049 ( -5.427 9.581 0.666) 11.031 16.211 ( -8.560 -6.113 0.929) 10.560 17.545 ( -1.200 1.124 -0.084) 1.646 17.572 ( -1.283 -1.753 0.123) 2.176 18.037 ( 0.820 2.343 -0.137) 2.486 18.079 ( 1.109 -1.628 0.904) 2.167 ======================= Grid point 24 (16/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 3.631 3.111 -1.377) 4.976 1.018 ( 6.076 0.855 1.062) 6.227 1.178 ( 3.393 1.798 1.882) 4.276 1.211 ( 1.636 -1.563 0.526) 2.323 1.319 ( 1.903 3.232 1.967) 4.235 1.350 ( 4.517 0.280 1.950) 4.928 1.389 ( -3.440 6.361 2.367) 7.609 1.451 ( -3.303 1.103 0.408) 3.506 1.482 ( -3.807 2.109 -6.585) 7.893 1.563 ( -2.326 -0.188 -1.359) 2.701 1.574 ( -4.045 -4.815 -1.091) 6.383 1.584 ( -0.531 -2.671 -2.552) 3.732 1.691 ( 0.751 6.928 0.325) 6.976 1.755 ( 1.663 0.730 -0.409) 1.861 1.811 ( 2.309 2.307 -1.163) 3.465 1.852 ( 0.410 -1.194 -1.609) 2.046 1.940 ( -1.293 -0.670 -0.961) 1.745 1.959 ( -1.392 -2.701 -0.490) 3.078 2.025 ( 0.937 0.581 -0.615) 1.263 2.055 ( 0.968 -0.992 1.228) 1.852 2.098 ( -1.572 0.187 1.121) 1.939 2.132 ( -3.973 -1.914 5.467) 7.024 2.206 ( -0.667 1.886 0.094) 2.003 2.274 ( 1.327 -3.413 3.773) 5.258 2.366 ( 0.445 1.528 -1.639) 2.284 2.400 ( 5.039 0.315 -0.053) 5.049 2.422 ( 0.631 4.826 0.762) 4.926 2.516 ( 0.302 -2.616 0.438) 2.670 2.558 ( -4.392 1.187 -0.961) 4.650 2.587 ( 2.098 -0.414 0.381) 2.173 2.619 ( -0.913 -2.220 0.745) 2.514 2.636 ( -0.946 -3.298 -1.061) 3.591 2.770 ( 7.504 10.745 2.868) 13.416 2.901 ( -1.020 4.346 -2.642) 5.187 2.933 ( -0.980 -0.293 0.524) 1.149 2.977 ( -2.150 -4.677 -2.821) 5.870 3.015 ( -3.033 3.168 3.415) 5.559 3.103 ( -6.475 -2.546 -3.364) 7.728 3.167 ( -0.124 2.874 -2.343) 3.709 3.181 ( -1.866 -1.078 1.489) 2.619 3.250 ( 0.640 -5.200 -1.240) 5.384 3.286 ( 2.478 -5.484 -1.413) 6.182 3.485 ( 2.624 3.047 -0.644) 4.072 3.507 ( 0.428 -0.077 2.006) 2.052 3.583 ( -0.151 0.600 1.082) 1.247 3.605 ( -2.718 -1.500 1.639) 3.511 3.992 ( 0.044 -0.606 -0.147) 0.625 4.011 ( 0.942 -2.890 0.731) 3.126 4.245 ( 0.321 -1.980 -0.012) 2.006 4.288 ( 1.642 -5.996 0.984) 6.294 4.552 ( -2.715 0.357 -0.939) 2.895 4.592 ( -2.630 -3.548 -0.860) 4.499 5.040 ( 0.011 1.739 0.326) 1.770 5.054 ( -1.308 0.391 -0.490) 1.450 5.646 ( -0.108 3.050 -0.588) 3.108 5.668 ( -1.794 0.984 -0.912) 2.240 5.992 ( 0.253 7.218 -0.945) 7.284 6.084 ( -0.805 -1.878 -0.654) 2.146 6.285 ( -2.378 7.879 2.262) 8.536 6.464 ( -4.555 -9.045 2.139) 10.351 6.777 ( 0.200 -0.880 -0.940) 1.303 6.860 ( -2.849 -8.468 -2.183) 9.197 7.016 ( -3.766 6.614 0.285) 7.617 7.190 ( -0.414 -10.834 0.824) 10.873 8.101 ( 4.704 4.133 -0.595) 6.290 8.131 ( 2.739 0.875 -0.180) 2.881 8.376 ( 3.751 5.439 0.680) 6.642 8.479 ( 3.675 -4.951 0.399) 6.179 11.931 ( 0.116 0.532 -0.055) 0.547 11.940 ( 0.131 -0.427 0.140) 0.468 13.336 ( 2.302 0.352 0.469) 2.375 13.340 ( 1.091 0.800 -0.620) 1.488 13.764 ( 0.367 -1.471 0.247) 1.536 13.791 ( 0.807 -4.868 -0.321) 4.945 14.107 ( 1.420 5.632 0.370) 5.820 14.224 ( 1.506 -6.375 -0.105) 6.551 15.294 ( 0.530 2.853 -0.420) 2.932 15.326 ( 0.280 -0.258 -0.387) 0.543 15.971 ( -2.360 7.602 0.306) 7.966 16.086 ( -3.986 -3.372 0.444) 5.240 17.528 ( -0.488 1.001 -0.028) 1.113 17.553 ( -0.600 -1.633 -0.027) 1.740 18.050 ( 0.447 2.380 -0.110) 2.424 18.094 ( 0.405 -1.814 0.440) 1.910 ======================= Grid point 49 (17/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 3.123 0.000 16.671) 16.961 0.409 ( 8.148 0.000 18.546) 20.257 0.598 ( 1.261 0.000 25.719) 25.749 0.979 ( -3.199 0.000 -2.420) 4.012 1.093 ( -0.631 0.000 -10.934) 10.952 1.222 ( -0.798 0.000 2.120) 2.265 1.264 ( 1.213 0.000 -2.176) 2.491 1.400 ( -2.181 0.000 2.353) 3.209 1.454 ( -3.029 0.000 0.562) 3.081 1.529 ( -2.579 0.000 -1.195) 2.843 1.565 ( 3.045 0.000 -5.509) 6.294 1.568 ( 4.344 0.000 -4.798) 6.472 1.610 ( 3.371 0.000 0.361) 3.390 1.665 ( 7.216 0.000 0.560) 7.237 1.732 ( -2.931 0.000 7.196) 7.770 1.742 ( -3.247 0.000 2.781) 4.275 1.889 ( 3.716 0.000 -1.312) 3.941 1.959 ( 0.177 0.000 -8.027) 8.029 2.036 ( -3.878 0.000 0.977) 4.000 2.114 ( 0.857 0.000 -7.441) 7.490 2.116 ( -2.155 0.000 -1.467) 2.607 2.139 ( -1.803 0.000 3.682) 4.100 2.187 ( 0.817 0.000 -1.312) 1.546 2.342 ( 3.032 0.000 0.350) 3.053 2.349 ( 2.454 0.000 0.087) 2.455 2.357 ( -2.271 0.000 2.757) 3.572 2.402 ( 5.270 0.000 -0.556) 5.299 2.482 ( 2.340 0.000 -10.291) 10.553 2.603 ( -2.213 0.000 2.270) 3.170 2.622 ( -2.609 0.000 1.697) 3.112 2.729 ( -5.237 0.000 -4.588) 6.962 2.774 ( 5.324 0.000 -5.575) 7.708 2.850 ( -0.212 0.000 0.355) 0.414 2.974 ( -0.520 0.000 9.266) 9.281 3.026 ( -3.125 0.000 -2.460) 3.977 3.078 ( 2.116 0.000 -1.740) 2.739 3.127 ( 3.275 0.000 6.441) 7.226 3.172 ( -1.460 0.000 3.436) 3.733 3.245 ( 0.993 0.000 0.663) 1.194 3.252 ( 3.152 0.000 0.274) 3.164 3.297 ( -8.965 0.000 0.857) 9.006 3.344 ( 1.242 0.000 -1.834) 2.215 3.496 ( 0.064 0.000 2.800) 2.801 3.554 ( 1.691 0.000 -0.904) 1.918 3.616 ( 1.092 0.000 -0.930) 1.434 3.701 ( 6.200 0.000 -3.330) 7.038 4.174 ( 0.962 0.000 3.062) 3.210 4.287 ( -2.200 0.000 -1.816) 2.853 4.395 ( 2.098 0.000 1.376) 2.509 4.400 ( 0.695 0.000 0.705) 0.990 4.712 ( 3.189 0.000 6.489) 7.231 4.834 ( 0.214 0.000 1.588) 1.603 5.197 ( -2.555 0.000 -2.120) 3.320 5.291 ( 0.999 0.000 -3.840) 3.967 5.764 ( -1.391 0.000 -4.537) 4.746 5.848 ( -3.512 0.000 -2.918) 4.566 6.032 ( 7.194 0.000 0.510) 7.212 6.074 ( -27.587 0.000 0.248) 27.589 6.653 ( 5.612 0.000 3.106) 6.415 6.867 ( -0.526 0.000 2.615) 2.667 6.925 ( 10.371 0.000 -7.076) 12.555 7.053 ( -10.332 0.000 -5.882) 11.889 7.123 ( -9.749 0.000 12.783) 16.077 7.411 ( 0.680 0.000 4.379) 4.431 7.760 ( -3.177 0.000 -1.071) 3.353 7.849 ( 2.279 0.000 -5.859) 6.287 7.971 ( -8.490 0.000 3.099) 9.038 8.092 ( -1.250 0.000 -1.182) 1.721 11.929 ( -1.123 0.000 0.438) 1.205 11.963 ( 1.105 0.000 -0.784) 1.355 13.124 ( -0.083 0.000 3.435) 3.436 13.348 ( -7.723 0.000 -5.104) 9.257 13.792 ( -3.406 0.000 3.186) 4.664 13.930 ( 0.422 0.000 -2.253) 2.293 14.028 ( -0.540 0.000 0.900) 1.049 14.065 ( 15.586 0.000 -0.520) 15.594 15.113 ( -0.771 0.000 5.400) 5.454 15.449 ( 0.170 0.000 -7.897) 7.899 15.803 ( -1.961 0.000 5.518) 5.856 16.017 ( 19.797 0.000 -3.281) 20.067 17.591 ( 1.326 0.000 3.978) 4.194 17.807 ( 10.064 0.000 -4.202) 10.906 17.951 ( -3.771 0.000 0.496) 3.803 17.964 ( 8.826 0.000 0.288) 8.830 ======================= Grid point 50 (18/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 1.952 0.000 16.261) 16.378 0.497 ( 8.155 0.000 15.320) 17.355 0.954 ( 4.628 0.000 -8.251) 9.460 0.965 ( -7.335 0.000 -14.421) 16.179 1.015 ( 21.902 0.000 19.786) 29.516 1.242 ( -2.112 0.000 1.862) 2.815 1.288 ( 2.015 0.000 -0.272) 2.034 1.312 ( -5.583 0.000 5.226) 7.647 1.456 ( -4.696 0.000 -1.537) 4.941 1.465 ( 4.025 0.000 -1.489) 4.291 1.527 ( -5.522 0.000 -3.661) 6.625 1.563 ( -3.157 0.000 -1.559) 3.521 1.654 ( -3.944 0.000 1.328) 4.162 1.698 ( -1.077 0.000 0.605) 1.235 1.745 ( 7.707 0.000 0.886) 7.758 1.785 ( 5.658 0.000 3.683) 6.751 1.944 ( 0.963 0.000 -8.595) 8.648 1.944 ( 1.895 0.000 -8.145) 8.363 2.016 ( -0.622 0.000 4.682) 4.724 2.099 ( -1.689 0.000 -2.284) 2.841 2.099 ( -0.098 0.000 -0.126) 0.160 2.148 ( 2.740 0.000 -4.363) 5.152 2.215 ( 2.593 0.000 -5.997) 6.533 2.305 ( -2.983 0.000 6.097) 6.788 2.368 ( -0.550 0.000 -0.752) 0.931 2.383 ( -0.592 0.000 -1.215) 1.352 2.469 ( -0.187 0.000 -0.984) 1.002 2.509 ( 3.498 0.000 -4.194) 5.461 2.557 ( -0.882 0.000 4.652) 4.735 2.593 ( -6.465 0.000 -6.149) 8.922 2.630 ( 1.161 0.000 2.223) 2.508 2.818 ( -4.826 0.000 0.436) 4.845 2.826 ( -1.419 0.000 -5.383) 5.567 2.902 ( -7.448 0.000 1.885) 7.683 2.957 ( -0.601 0.000 4.254) 4.297 3.061 ( -5.275 0.000 5.409) 7.555 3.110 ( -2.714 0.000 -6.018) 6.602 3.162 ( -1.457 0.000 0.852) 1.688 3.182 ( -3.696 0.000 3.665) 5.205 3.286 ( 4.907 0.000 -2.302) 5.420 3.303 ( -0.989 0.000 1.904) 2.146 3.355 ( 4.566 0.000 3.334) 5.654 3.557 ( 3.832 0.000 0.874) 3.930 3.623 ( -10.440 0.000 -1.120) 10.500 3.634 ( 1.611 0.000 0.410) 1.662 3.639 ( 5.018 0.000 -0.549) 5.048 4.173 ( -0.734 0.000 2.752) 2.849 4.189 ( -5.760 0.000 -0.549) 5.786 4.474 ( 6.139 0.000 0.835) 6.195 4.509 ( 7.364 0.000 -0.441) 7.377 4.788 ( 2.003 0.000 7.030) 7.310 4.825 ( -1.394 0.000 1.246) 1.869 5.083 ( -8.167 0.000 -2.375) 8.505 5.183 ( -10.015 0.000 -1.944) 10.202 5.487 ( -19.741 0.000 8.485) 21.487 5.720 ( -8.446 0.000 -3.226) 9.041 5.793 ( 2.142 0.000 2.626) 3.389 6.127 ( 1.400 0.000 4.692) 4.897 6.425 ( -11.042 0.000 5.741) 12.446 6.800 ( -12.398 0.000 -9.019) 15.332 7.029 ( -1.160 0.000 -2.984) 3.202 7.183 ( 14.880 0.000 -1.629) 14.969 7.229 ( 10.530 0.000 13.784) 17.346 7.448 ( 2.624 0.000 1.289) 2.924 7.765 ( -8.660 0.000 -4.921) 9.960 7.840 ( 14.023 0.000 -10.027) 17.239 7.977 ( 3.048 0.000 6.055) 6.779 8.178 ( 7.890 0.000 -0.411) 7.901 11.900 ( -1.572 0.000 -0.506) 1.651 11.961 ( -0.340 0.000 -0.617) 0.704 13.224 ( 9.349 0.000 4.709) 10.468 13.319 ( 0.722 0.000 3.564) 3.636 13.763 ( 0.559 0.000 0.682) 0.882 13.882 ( -4.184 0.000 -1.883) 4.588 14.066 ( 3.473 0.000 -0.196) 3.479 14.337 ( 11.713 0.000 -13.488) 17.864 15.119 ( 0.502 0.000 5.310) 5.334 15.447 ( 0.778 0.000 -7.203) 7.245 15.743 ( -4.562 0.000 2.082) 5.015 16.034 ( -10.159 0.000 -0.209) 10.161 17.589 ( -2.019 0.000 2.782) 3.438 17.772 ( -4.741 0.000 -6.240) 7.836 17.915 ( 0.292 0.000 -0.358) 0.462 18.181 ( 4.605 0.000 -1.100) 4.735 ======================= Grid point 51 (19/60) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 15.902 0.000 3.411) 16.264 0.677 ( 8.450 0.000 13.531) 15.953 0.844 ( -3.052 0.000 -14.345) 14.666 1.025 ( 5.893 0.000 -9.380) 11.077 1.163 ( -4.938 0.000 2.777) 5.665 1.240 ( -2.308 0.000 5.225) 5.712 1.313 ( -1.195 0.000 0.876) 1.482 1.332 ( -3.594 0.000 -5.430) 6.512 1.393 ( -0.009 0.000 0.377) 0.377 1.461 ( -5.123 0.000 4.655) 6.922 1.482 ( 11.404 0.000 8.456) 14.197 1.553 ( -4.067 0.000 -5.486) 6.829 1.589 ( 4.039 0.000 -3.489) 5.337 1.671 ( -1.536 0.000 0.270) 1.559 1.888 ( 3.454 0.000 1.860) 3.923 1.902 ( 2.984 0.000 2.433) 3.850 1.946 ( 0.459 0.000 -2.175) 2.223 1.954 ( 2.452 0.000 -2.767) 3.697 2.037 ( 4.093 0.000 6.168) 7.402 2.082 ( 0.437 0.000 -3.235) 3.265 2.107 ( 1.888 0.000 2.492) 3.127 2.210 ( 4.195 0.000 -6.019) 7.337 2.250 ( 1.680 0.000 -6.896) 7.098 2.287 ( 0.078 0.000 5.855) 5.856 2.342 ( -2.307 0.000 1.616) 2.817 2.344 ( -2.452 0.000 -2.138) 3.253 2.432 ( -2.141 0.000 -5.027) 5.464 2.469 ( -4.842 0.000 -3.668) 6.075 2.507 ( -2.086 0.000 -0.753) 2.218 2.583 ( -0.854 0.000 5.625) 5.689 2.654 ( -1.333 0.000 -2.248) 2.613 2.685 ( -6.781 0.000 3.234) 7.512 2.714 ( -8.029 0.000 -1.241) 8.124 2.820 ( -0.795 0.000 -1.129) 1.381 2.966 ( 0.662 0.000 0.463) 0.808 2.971 ( -4.229 0.000 6.969) 8.152 3.053 ( -2.628 0.000 -6.009) 6.559 3.128 ( -0.365 0.000 -4.066) 4.082 3.152 ( -0.612 0.000 1.986) 2.079 3.268 ( -2.412 0.000 0.355) 2.438 3.358 ( -0.923 0.000 -4.168) 4.269 3.432 ( 1.441 0.000 5.211) 5.406 3.450 ( -1.860 0.000 3.300) 3.788 3.639 ( 3.128 0.000 0.373) 3.150 3.661 ( 1.333 0.000 0.307) 1.368 3.718 ( 2.671 0.000 -0.315) 2.689 4.093 ( -4.301 0.000 0.380) 4.318 4.170 ( 0.013 0.000 1.145) 1.145 4.580 ( 3.763 0.000 -0.617) 3.813 4.631 ( 5.388 0.000 -0.587) 5.420 4.769 ( -4.523 0.000 3.741) 5.870 4.785 ( -3.255 0.000 1.400) 3.543 4.965 ( -1.941 0.000 -0.277) 1.961 5.012 ( -7.119 0.000 1.152) 7.212 5.320 ( -1.271 0.000 4.455) 4.633 5.562 ( -7.633 0.000 -0.981) 7.696 5.839 ( 2.001 0.000 -0.978) 2.228 6.074 ( -6.834 0.000 2.209) 7.182 6.265 ( -7.862 0.000 3.954) 8.800 6.587 ( -9.201 0.000 -6.699) 11.381 6.929 ( -6.032 0.000 2.118) 6.393 7.423 ( 7.580 0.000 10.798) 13.193 7.433 ( 8.551 0.000 -0.137) 8.552 7.508 ( 3.283 0.000 1.661) 3.679 7.607 ( -3.234 0.000 -7.855) 8.494 7.990 ( 2.455 0.000 -3.140) 3.986 8.151 ( 13.367 0.000 -5.177) 14.335 8.305 ( 4.866 0.000 0.833) 4.937 11.883 ( 0.006 0.000 -0.947) 0.947 11.956 ( -0.161 0.000 -1.324) 1.334 13.329 ( -0.349 0.000 7.872) 7.880 13.425 ( 9.658 0.000 6.521) 11.653 13.794 ( 2.203 0.000 -0.630) 2.291 13.803 ( -3.245 0.000 -3.073) 4.469 14.128 ( 2.833 0.000 0.550) 2.886 14.485 ( 7.035 0.000 -14.921) 16.496 15.140 ( 0.865 0.000 5.223) 5.294 15.462 ( 1.746 0.000 -5.626) 5.891 15.660 ( -3.905 0.000 -1.466) 4.171 15.820 ( -11.707 0.000 4.443) 12.522 17.544 ( -2.472 0.000 0.661) 2.559 17.687 ( -3.251 0.000 -5.321) 6.235 17.946 ( 2.335 0.000 1.628) 2.846 18.193 ( -1.626 0.000 2.515) 2.995 ======================= Grid point 52 (20/60) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -1.650 0.000 5.452) 5.696 0.862 ( 6.474 0.000 -3.336) 7.283 0.896 ( 16.728 0.000 0.035) 16.728 1.103 ( -1.694 0.000 3.891) 4.243 1.125 ( -5.135 0.000 -8.249) 9.717 1.157 ( 1.606 0.000 -9.566) 9.700 1.223 ( -1.956 0.000 3.870) 4.336 1.292 ( -2.280 0.000 -0.657) 2.373 1.371 ( -2.927 0.000 1.065) 3.115 1.408 ( 2.697 0.000 -2.408) 3.615 1.485 ( -2.279 0.000 -4.667) 5.194 1.592 ( -1.701 0.000 0.596) 1.803 1.644 ( 2.420 0.000 -0.601) 2.493 1.735 ( 6.471 0.000 2.974) 7.122 1.867 ( -0.905 0.000 4.094) 4.193 1.868 ( -5.144 0.000 2.824) 5.868 1.943 ( -1.300 0.000 1.410) 1.918 2.043 ( -1.178 0.000 -1.667) 2.041 2.090 ( 1.485 0.000 -1.124) 1.862 2.132 ( 4.130 0.000 -0.534) 4.165 2.136 ( -3.817 0.000 -0.557) 3.857 2.257 ( -1.410 0.000 0.287) 1.439 2.269 ( -2.697 0.000 6.027) 6.603 2.287 ( 3.335 0.000 -0.380) 3.356 2.298 ( -1.912 0.000 -4.137) 4.557 2.335 ( 3.490 0.000 4.454) 5.658 2.383 ( -2.076 0.000 -9.065) 9.300 2.421 ( -0.122 0.000 -3.464) 3.466 2.481 ( 0.335 0.000 4.932) 4.944 2.542 ( 0.499 0.000 3.659) 3.693 2.568 ( -1.149 0.000 3.343) 3.535 2.640 ( 1.676 0.000 0.370) 1.716 2.658 ( -0.544 0.000 0.671) 0.864 2.814 ( -2.314 0.000 -1.980) 3.046 2.934 ( -0.932 0.000 5.429) 5.508 2.977 ( 0.931 0.000 -3.584) 3.703 2.997 ( -3.040 0.000 -7.009) 7.640 3.125 ( -1.649 0.000 0.265) 1.670 3.147 ( 2.242 0.000 -3.112) 3.835 3.216 ( -3.035 0.000 -3.828) 4.886 3.326 ( 1.321 0.000 0.246) 1.344 3.425 ( -2.276 0.000 4.078) 4.670 3.500 ( 3.163 0.000 2.889) 4.284 3.650 ( -2.890 0.000 0.861) 3.016 3.681 ( 1.399 0.000 0.109) 1.403 3.747 ( 0.704 0.000 -2.338) 2.442 4.036 ( -1.887 0.000 1.059) 2.164 4.154 ( -2.013 0.000 -2.458) 3.177 4.617 ( 1.887 0.000 0.512) 1.955 4.649 ( -3.208 0.000 3.999) 5.127 4.723 ( -2.903 0.000 0.573) 2.959 4.727 ( 0.926 0.000 -4.684) 4.775 4.932 ( -2.010 0.000 3.213) 3.790 5.001 ( 2.610 0.000 0.949) 2.777 5.398 ( 7.695 0.000 9.189) 11.985 5.471 ( -0.684 0.000 2.431) 2.525 5.856 ( 0.270 0.000 -5.608) 5.615 5.928 ( -7.915 0.000 -1.619) 8.078 6.139 ( -5.537 0.000 2.787) 6.199 6.446 ( -4.263 0.000 -6.518) 7.789 6.875 ( 0.214 0.000 6.443) 6.447 7.389 ( -5.157 0.000 -6.929) 8.638 7.513 ( 0.415 0.000 8.525) 8.535 7.584 ( 3.342 0.000 5.249) 6.223 7.713 ( 7.930 0.000 -3.765) 8.779 7.993 ( -1.746 0.000 -3.209) 3.653 8.351 ( 8.578 0.000 -5.641) 10.266 8.351 ( 0.193 0.000 0.609) 0.639 11.894 ( 0.999 0.000 -0.558) 1.144 11.948 ( -0.496 0.000 -1.987) 2.048 13.335 ( 0.001 0.000 9.825) 9.825 13.543 ( 1.584 0.000 5.243) 5.477 13.777 ( 0.998 0.000 -2.191) 2.408 13.825 ( 0.905 0.000 -0.653) 1.116 14.162 ( 0.533 0.000 1.281) 1.387 14.576 ( 4.924 0.000 -14.981) 15.769 15.161 ( 0.641 0.000 5.418) 5.456 15.488 ( 1.177 0.000 -4.628) 4.775 15.613 ( -0.287 0.000 -2.106) 2.125 15.625 ( -9.906 0.000 3.597) 10.539 17.509 ( -1.213 0.000 0.212) 1.231 17.641 ( -1.055 0.000 -4.877) 4.990 17.993 ( 2.271 0.000 3.360) 4.056 18.151 ( -2.972 0.000 1.684) 3.416 ======================= Grid point 53 (21/60) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -8.017 0.000 6.335) 10.218 0.857 ( -15.861 0.000 -9.309) 18.391 1.005 ( 9.253 0.000 0.941) 9.301 1.068 ( -3.144 0.000 1.924) 3.686 1.168 ( 10.099 0.000 -1.445) 10.202 1.211 ( 2.049 0.000 3.636) 4.174 1.237 ( -0.112 0.000 -4.027) 4.029 1.301 ( 5.135 0.000 -6.029) 7.919 1.320 ( -2.938 0.000 -10.452) 10.857 1.455 ( -0.182 0.000 0.856) 0.876 1.497 ( 3.894 0.000 0.396) 3.914 1.558 ( -3.044 0.000 1.304) 3.312 1.718 ( 4.924 0.000 9.078) 10.327 1.721 ( -6.953 0.000 6.563) 9.561 1.781 ( -3.486 0.000 -3.577) 4.994 1.868 ( -2.612 0.000 1.073) 2.823 1.937 ( 2.922 0.000 2.481) 3.833 1.938 ( -4.943 0.000 -3.027) 5.796 2.040 ( -1.888 0.000 -3.078) 3.611 2.113 ( 0.710 0.000 -2.557) 2.654 2.149 ( -1.904 0.000 -0.057) 1.904 2.170 ( -5.255 0.000 -2.085) 5.653 2.209 ( -3.326 0.000 4.785) 5.827 2.269 ( -1.683 0.000 -3.073) 3.504 2.317 ( -2.172 0.000 0.769) 2.304 2.336 ( -2.056 0.000 -4.510) 4.957 2.415 ( 4.070 0.000 9.355) 10.202 2.504 ( 2.572 0.000 -0.600) 2.641 2.512 ( 9.603 0.000 1.856) 9.781 2.602 ( -3.245 0.000 -4.526) 5.569 2.643 ( 5.813 0.000 1.677) 6.050 2.673 ( 3.517 0.000 1.958) 4.026 2.729 ( 6.278 0.000 0.979) 6.354 2.774 ( 3.558 0.000 0.584) 3.606 2.867 ( -5.673 0.000 4.463) 7.218 3.001 ( 2.071 0.000 -4.856) 5.279 3.001 ( 3.901 0.000 0.280) 3.912 3.095 ( -7.000 0.000 -6.942) 9.858 3.122 ( 1.066 0.000 -5.240) 5.348 3.216 ( 2.703 0.000 -2.905) 3.968 3.368 ( -4.218 0.000 3.600) 5.545 3.383 ( 3.532 0.000 2.869) 4.550 3.553 ( 1.717 0.000 5.697) 5.951 3.576 ( -4.078 0.000 -1.586) 4.375 3.691 ( -0.524 0.000 0.847) 0.996 3.733 ( -1.716 0.000 -2.892) 3.363 4.032 ( 1.607 0.000 1.341) 2.094 4.110 ( -1.580 0.000 -2.480) 2.940 4.632 ( 0.695 0.000 3.610) 3.677 4.650 ( -2.494 0.000 0.173) 2.500 4.688 ( 1.994 0.000 0.282) 2.014 4.694 ( -3.853 0.000 -2.964) 4.862 4.952 ( 3.603 0.000 2.419) 4.339 5.023 ( 1.326 0.000 1.839) 2.267 5.559 ( 7.891 0.000 4.914) 9.295 5.569 ( 6.980 0.000 9.141) 11.501 5.799 ( -4.534 0.000 -6.774) 8.151 5.861 ( 2.760 0.000 -3.370) 4.356 6.097 ( 1.092 0.000 2.236) 2.489 6.442 ( 4.830 0.000 -6.894) 8.418 6.958 ( 7.671 0.000 9.266) 12.029 7.309 ( -2.293 0.000 -9.594) 9.864 7.457 ( -7.266 0.000 6.394) 9.679 7.624 ( -0.435 0.000 7.459) 7.472 7.791 ( 0.707 0.000 -1.774) 1.909 7.917 ( -5.701 0.000 -5.582) 7.978 8.328 ( -2.291 0.000 -0.966) 2.486 8.452 ( 2.912 0.000 -3.950) 4.908 11.912 ( 0.891 0.000 0.100) 0.897 11.933 ( -0.714 0.000 -2.762) 2.853 13.362 ( 1.546 0.000 11.602) 11.705 13.514 ( -4.670 0.000 2.961) 5.530 13.807 ( 1.743 0.000 -0.396) 1.788 13.821 ( -1.286 0.000 -1.279) 1.814 14.153 ( -1.559 0.000 1.350) 2.063 14.622 ( 1.801 0.000 -17.782) 17.873 15.179 ( 0.555 0.000 6.682) 6.705 15.455 ( -8.862 0.000 2.800) 9.294 15.485 ( -0.422 0.000 -5.681) 5.696 15.649 ( 3.637 0.000 0.802) 3.724 17.499 ( 0.039 0.000 0.494) 0.495 17.630 ( 0.335 0.000 -5.162) 5.173 18.034 ( 1.453 0.000 4.731) 4.949 18.091 ( -3.503 0.000 0.494) 3.537 ======================= Grid point 54 (22/60) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -19.717 0.000 -11.539) 22.845 0.514 ( -10.023 0.000 7.857) 12.735 1.021 ( -1.500 0.000 1.394) 2.048 1.152 ( -11.034 0.000 3.565) 11.596 1.190 ( 8.738 0.000 3.453) 9.395 1.245 ( -4.723 0.000 1.901) 5.091 1.269 ( 3.375 0.000 -4.561) 5.674 1.308 ( -9.185 0.000 4.738) 10.335 1.313 ( 5.044 0.000 -6.178) 7.975 1.405 ( 2.672 0.000 -5.659) 6.258 1.450 ( 1.703 0.000 -1.225) 2.098 1.578 ( 3.585 0.000 2.386) 4.306 1.660 ( -2.696 0.000 1.421) 3.047 1.713 ( -8.636 0.000 -2.870) 9.100 1.813 ( 0.378 0.000 7.806) 7.815 1.828 ( 1.557 0.000 -3.205) 3.563 1.924 ( 0.509 0.000 2.902) 2.946 1.961 ( -0.971 0.000 0.101) 0.976 2.064 ( 7.462 0.000 -6.496) 9.894 2.084 ( -2.704 0.000 1.907) 3.309 2.112 ( -0.237 0.000 -3.016) 3.025 2.151 ( 3.403 0.000 -1.144) 3.590 2.180 ( -0.464 0.000 2.277) 2.324 2.221 ( -2.957 0.000 0.218) 2.965 2.289 ( -0.816 0.000 2.362) 2.499 2.310 ( 0.120 0.000 -4.884) 4.886 2.458 ( -7.537 0.000 -5.690) 9.444 2.464 ( -0.487 0.000 4.789) 4.814 2.572 ( 4.256 0.000 -4.305) 6.054 2.693 ( 7.570 0.000 -0.834) 7.616 2.723 ( 4.441 0.000 2.314) 5.008 2.776 ( -4.197 0.000 5.266) 6.734 2.801 ( 6.373 0.000 5.096) 8.160 2.849 ( 7.104 0.000 0.880) 7.158 2.895 ( 6.518 0.000 -3.316) 7.313 2.929 ( -7.701 0.000 -5.120) 9.248 3.039 ( 1.970 0.000 -2.871) 3.482 3.095 ( 4.746 0.000 -0.206) 4.751 3.144 ( 2.072 0.000 -0.777) 2.213 3.242 ( 0.362 0.000 -1.304) 1.353 3.286 ( -4.498 0.000 1.439) 4.723 3.445 ( 2.481 0.000 3.768) 4.512 3.536 ( 0.568 0.000 -3.208) 3.258 3.562 ( -2.054 0.000 5.410) 5.787 3.657 ( -3.272 0.000 3.265) 4.622 3.683 ( -3.173 0.000 -2.367) 3.959 4.100 ( 0.710 0.000 -0.304) 0.773 4.103 ( 5.469 0.000 1.664) 5.717 4.549 ( -6.344 0.000 -0.356) 6.354 4.584 ( -6.072 0.000 -1.660) 6.295 4.670 ( 0.949 0.000 4.428) 4.529 4.758 ( 3.787 0.000 0.931) 3.900 5.061 ( 7.543 0.000 -0.711) 7.577 5.088 ( 4.770 0.000 2.212) 5.257 5.664 ( 4.817 0.000 2.227) 5.307 5.706 ( 6.324 0.000 3.157) 7.068 5.786 ( 4.944 0.000 -9.148) 10.398 5.949 ( 4.503 0.000 5.086) 6.793 6.200 ( 9.193 0.000 6.227) 11.104 6.582 ( 10.111 0.000 -7.518) 12.600 7.164 ( 9.325 0.000 9.846) 13.561 7.270 ( -1.068 0.000 -9.721) 9.779 7.286 ( -8.265 0.000 5.428) 9.888 7.566 ( -6.861 0.000 7.719) 10.328 7.772 ( -1.101 0.000 -1.671) 2.002 7.779 ( -7.645 0.000 -7.892) 10.987 8.269 ( -3.848 0.000 -2.242) 4.454 8.448 ( -2.746 0.000 -4.084) 4.921 11.919 ( -0.287 0.000 -3.265) 3.278 11.926 ( 0.574 0.000 0.599) 0.830 13.386 ( -9.233 0.000 3.348) 9.821 13.428 ( 3.952 0.000 14.282) 14.818 13.775 ( -3.202 0.000 -3.587) 4.808 13.842 ( 2.313 0.000 -1.112) 2.567 14.115 ( -2.513 0.000 1.310) 2.834 14.557 ( -7.576 0.000 -26.721) 27.775 15.198 ( -0.734 0.000 6.196) 6.240 15.329 ( -2.625 0.000 10.296) 10.626 15.469 ( -0.264 0.000 -6.689) 6.694 15.728 ( 4.091 0.000 3.911) 5.660 17.512 ( 1.271 0.000 1.235) 1.772 17.629 ( 0.091 0.000 -5.544) 5.545 18.028 ( -3.211 0.000 0.029) 3.211 18.052 ( -0.537 0.000 5.267) 5.294 ======================= Grid point 55 (23/60) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.156 ( -8.754 0.000 6.289) 10.779 0.369 ( -5.885 0.000 12.715) 14.011 0.846 ( -19.567 0.000 19.593) 27.690 1.036 ( 3.394 0.000 -3.169) 4.643 1.080 ( -7.987 0.000 0.852) 8.032 1.242 ( -0.186 0.000 -3.599) 3.604 1.270 ( -0.114 0.000 -0.175) 0.209 1.358 ( 5.073 0.000 1.205) 5.214 1.443 ( 7.204 0.000 -4.743) 8.626 1.484 ( 5.203 0.000 -4.865) 7.124 1.514 ( 3.482 0.000 -0.222) 3.489 1.558 ( -4.210 0.000 -4.992) 6.530 1.606 ( -3.295 0.000 3.500) 4.807 1.608 ( -2.116 0.000 -2.620) 3.368 1.772 ( -2.805 0.000 7.162) 7.692 1.788 ( -2.784 0.000 4.392) 5.200 1.913 ( -3.748 0.000 -0.068) 3.749 1.946 ( 1.024 0.000 -1.444) 1.770 2.075 ( 0.087 0.000 3.141) 3.143 2.125 ( 0.717 0.000 -2.714) 2.807 2.159 ( -1.124 0.000 -0.846) 1.407 2.166 ( -1.486 0.000 1.029) 1.807 2.182 ( -0.378 0.000 4.243) 4.260 2.290 ( 7.409 0.000 -9.817) 12.299 2.296 ( 1.768 0.000 1.043) 2.053 2.344 ( 5.025 0.000 -10.896) 11.999 2.364 ( 1.389 0.000 -0.412) 1.449 2.413 ( -4.131 0.000 -0.091) 4.132 2.624 ( 0.946 0.000 -3.810) 3.926 2.702 ( -4.724 0.000 -2.644) 5.414 2.727 ( -0.766 0.000 2.975) 3.072 2.779 ( 0.437 0.000 -2.090) 2.135 2.848 ( 0.453 0.000 2.576) 2.615 2.928 ( 3.846 0.000 8.857) 9.656 2.985 ( 6.193 0.000 -4.226) 7.497 3.010 ( 6.265 0.000 -1.030) 6.350 3.078 ( 1.815 0.000 3.191) 3.671 3.159 ( 2.860 0.000 -1.772) 3.365 3.192 ( 2.321 0.000 3.821) 4.471 3.222 ( -0.679 0.000 -0.186) 0.704 3.278 ( 3.741 0.000 -2.050) 4.266 3.451 ( -5.630 0.000 3.412) 6.583 3.520 ( 0.265 0.000 2.522) 2.536 3.559 ( 0.978 0.000 -3.145) 3.293 3.598 ( -2.067 0.000 7.531) 7.809 3.620 ( -2.542 0.000 -1.095) 2.768 4.132 ( 2.410 0.000 1.653) 2.922 4.220 ( 6.313 0.000 0.728) 6.355 4.443 ( -4.611 0.000 0.655) 4.657 4.464 ( -6.272 0.000 -0.014) 6.272 4.683 ( 0.076 0.000 4.462) 4.462 4.813 ( 1.877 0.000 1.496) 2.400 5.178 ( 3.987 0.000 -0.284) 3.997 5.202 ( 7.289 0.000 -3.627) 8.142 5.767 ( 3.651 0.000 -4.279) 5.625 5.824 ( 5.831 0.000 -1.339) 5.983 5.899 ( 6.803 0.000 -4.388) 8.095 6.088 ( 12.009 0.000 12.321) 17.206 6.387 ( 8.588 0.000 7.849) 11.634 6.758 ( 9.301 0.000 -8.380) 12.519 7.018 ( -11.567 0.000 5.466) 12.794 7.213 ( -4.904 0.000 -7.536) 8.991 7.396 ( -1.809 0.000 0.832) 1.991 7.442 ( -5.491 0.000 7.122) 8.993 7.685 ( 3.531 0.000 -3.496) 4.969 7.781 ( 3.015 0.000 -4.703) 5.586 8.178 ( -5.480 0.000 -2.125) 5.878 8.313 ( -13.244 0.000 -9.908) 16.540 11.924 ( 1.653 0.000 -2.060) 2.641 11.935 ( 0.231 0.000 0.770) 0.804 13.212 ( -8.710 0.000 3.647) 9.442 13.522 ( 0.240 0.000 6.537) 6.541 13.718 ( 1.107 0.000 -1.946) 2.239 13.890 ( 2.990 0.000 -2.211) 3.719 14.067 ( -2.789 0.000 1.506) 3.169 14.217 ( -23.450 0.000 -22.818) 32.719 15.143 ( -3.366 0.000 4.969) 6.001 15.458 ( -0.018 0.000 -7.561) 7.561 15.508 ( 20.151 0.000 20.429) 28.695 15.795 ( 1.942 0.000 6.021) 6.326 17.548 ( 2.233 0.000 2.590) 3.420 17.630 ( 2.155 0.000 -1.162) 2.448 17.974 ( -2.586 0.000 -0.859) 2.725 18.021 ( -3.358 0.000 3.849) 5.108 ======================= Grid point 56 (24/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 7.099 8.360 13.387) 17.307 0.514 ( -4.128 9.382 14.814) 18.014 0.826 ( 3.287 19.051 14.942) 24.434 1.028 ( -2.680 4.394 -3.725) 6.353 1.128 ( 0.079 3.982 -7.222) 8.248 1.256 ( 0.579 1.673 -1.584) 2.375 1.297 ( -0.363 4.512 -1.995) 4.947 1.400 ( -3.858 -2.323 0.243) 4.510 1.469 ( 0.505 -0.284 2.664) 2.727 1.481 ( 1.084 -3.332 -1.597) 3.851 1.531 ( 0.984 3.077 -1.151) 3.429 1.594 ( -0.626 -2.096 6.040) 6.424 1.609 ( 1.843 2.901 -2.659) 4.345 1.670 ( 2.914 2.721 -0.655) 4.040 1.739 ( -3.526 -1.607 2.686) 4.715 1.813 ( 2.583 5.138 -0.476) 5.770 1.863 ( 0.532 -2.569 2.192) 3.419 1.988 ( 0.424 1.382 -6.219) 6.385 2.067 ( -2.730 1.635 4.709) 5.684 2.107 ( 0.764 0.040 -4.009) 4.081 2.124 ( 0.410 0.325 -1.108) 1.225 2.163 ( -2.489 2.015 -0.416) 3.229 2.217 ( 0.861 3.117 -1.708) 3.657 2.301 ( -0.950 -3.504 -2.179) 4.234 2.324 ( 0.068 -1.039 -3.545) 3.695 2.365 ( 2.374 -0.651 -2.691) 3.647 2.375 ( 2.921 -1.112 -5.618) 6.429 2.479 ( 2.168 1.688 1.670) 3.215 2.557 ( -3.431 -2.946 -0.082) 4.523 2.638 ( -1.782 -0.012 4.218) 4.579 2.686 ( -1.187 -3.162 -5.069) 6.091 2.736 ( 2.047 -1.349 -4.105) 4.781 2.910 ( 2.720 -5.210 5.611) 8.125 2.953 ( 0.332 4.783 -2.463) 5.391 3.005 ( -5.417 -2.380 0.854) 5.978 3.053 ( 1.498 -2.412 -3.877) 4.805 3.088 ( -1.522 -2.959 2.687) 4.277 3.158 ( 1.634 -0.435 2.928) 3.381 3.203 ( -0.190 -0.114 3.087) 3.095 3.242 ( -3.454 -3.021 5.224) 6.954 3.296 ( 4.824 2.197 3.058) 6.119 3.383 ( -0.139 -1.433 0.354) 1.482 3.494 ( -1.846 0.527 1.820) 2.645 3.551 ( 3.200 1.222 1.008) 3.571 3.584 ( -1.504 -0.204 1.066) 1.855 3.778 ( 1.738 2.243 -10.700) 11.069 4.163 ( 5.159 -4.578 -0.981) 6.967 4.199 ( -2.554 -4.234 -1.658) 5.215 4.381 ( 1.303 -3.921 2.774) 4.977 4.455 ( 1.725 0.357 -0.302) 1.788 4.705 ( 0.585 0.142 4.053) 4.098 4.794 ( 0.055 -3.707 1.168) 3.887 5.178 ( -1.388 -1.340 -1.288) 2.320 5.253 ( 0.656 -3.354 -2.634) 4.315 5.634 ( -1.383 -9.054 3.735) 9.892 5.840 ( -12.516 -1.294 -5.731) 13.827 5.963 ( -5.392 3.751 4.074) 7.729 6.146 ( 1.167 4.968 -4.333) 6.694 6.629 ( 7.830 -1.591 4.005) 8.937 6.813 ( -9.218 -8.030 17.289) 21.175 6.890 ( 8.323 -2.010 -4.303) 9.583 7.045 ( -0.079 1.753 2.073) 2.716 7.166 ( -3.769 9.031 0.751) 9.815 7.462 ( -1.930 1.953 2.918) 4.007 7.720 ( -2.978 -3.079 -0.885) 4.374 7.779 ( 1.603 -5.944 -4.199) 7.452 7.953 ( 1.563 -0.030 3.300) 3.651 8.178 ( -3.653 1.323 -7.686) 8.612 11.930 ( -1.067 0.062 0.419) 1.148 11.961 ( 1.101 -0.171 -0.755) 1.346 13.110 ( -0.099 -1.269 2.931) 3.195 13.288 ( -5.066 -4.979 -2.234) 7.446 13.684 ( 5.798 -6.916 12.673) 15.558 13.832 ( 2.314 2.076 4.397) 5.385 13.944 ( 2.379 0.816 -2.282) 3.396 14.267 ( -2.847 -1.631 -13.284) 13.683 15.151 ( -1.313 3.835 4.284) 5.898 15.306 ( 1.008 -3.097 3.108) 4.501 15.839 ( -0.742 5.523 5.800) 8.043 16.366 ( 6.783 13.237 -21.629) 26.249 17.588 ( 0.814 -0.228 3.049) 3.164 17.749 ( 5.330 -4.267 -0.510) 6.847 17.968 ( -3.441 1.534 0.329) 3.781 17.979 ( 6.018 1.405 0.179) 6.183 ======================= Grid point 57 (25/60) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 1.796 7.846 13.740) 15.924 0.623 ( 7.840 10.663 11.540) 17.560 0.959 ( -3.426 2.502 -12.419) 13.123 1.060 ( -0.274 7.301 -7.369) 10.377 1.082 ( 13.175 6.496 13.906) 20.227 1.302 ( -2.024 0.118 3.431) 3.986 1.314 ( 2.417 4.626 1.824) 5.529 1.343 ( 0.994 3.953 -0.313) 4.088 1.451 ( -4.753 -2.207 -3.271) 6.177 1.466 ( 1.323 0.513 -0.417) 1.479 1.545 ( 0.162 5.344 1.135) 5.466 1.568 ( -2.933 -0.551 1.679) 3.424 1.634 ( -3.841 -0.615 0.511) 3.923 1.654 ( 0.736 -1.190 -0.994) 1.717 1.757 ( 5.176 -0.068 0.428) 5.194 1.861 ( 1.972 3.537 3.602) 5.420 1.896 ( 2.462 -4.167 -2.903) 5.643 1.967 ( 0.903 1.699 -8.319) 8.538 2.024 ( -2.255 -1.432 6.576) 7.098 2.076 ( -2.799 5.176 -3.317) 6.754 2.133 ( -0.736 -0.364 2.673) 2.797 2.175 ( 3.366 2.412 -6.622) 7.810 2.221 ( -0.820 -0.988 -3.566) 3.791 2.279 ( 1.925 -0.597 -1.257) 2.375 2.329 ( -0.610 -3.362 -1.021) 3.566 2.387 ( 0.897 2.488 -0.049) 2.645 2.441 ( 1.821 -4.234 -3.245) 5.636 2.494 ( -1.514 0.853 0.385) 1.780 2.537 ( 2.582 -0.478 1.158) 2.870 2.574 ( -6.375 -2.511 -1.100) 6.940 2.641 ( 1.249 0.439 1.712) 2.164 2.787 ( 0.350 -0.675 -5.609) 5.660 2.856 ( -8.396 -2.388 3.730) 9.492 2.915 ( -4.960 2.172 -2.168) 5.833 2.945 ( -0.669 -2.661 -0.150) 2.748 3.026 ( -4.313 -1.664 3.799) 5.983 3.063 ( -1.958 -3.169 1.134) 3.894 3.125 ( -0.609 -0.377 -2.528) 2.627 3.203 ( 0.393 -1.704 0.291) 1.773 3.285 ( 2.485 0.777 2.021) 3.296 3.346 ( 1.719 0.399 3.432) 3.860 3.363 ( -3.327 2.679 0.366) 4.287 3.507 ( -0.038 -3.280 2.863) 4.354 3.535 ( 0.945 -1.652 2.527) 3.163 3.621 ( 3.032 -1.260 -0.040) 3.284 3.747 ( -2.438 2.760 -6.104) 7.129 4.132 ( -3.680 -3.271 -1.250) 5.080 4.215 ( -0.856 -2.071 1.445) 2.667 4.398 ( 2.795 -4.162 0.305) 5.022 4.519 ( 4.024 -3.642 0.354) 5.439 4.740 ( 0.917 -3.355 5.749) 6.719 4.795 ( -0.182 -2.586 0.078) 2.594 5.097 ( -6.265 1.544 -1.119) 6.548 5.168 ( -7.754 -1.120 -1.783) 8.035 5.476 ( -12.344 0.299 4.010) 12.982 5.721 ( 0.720 -2.056 0.989) 2.392 5.812 ( -8.015 6.227 -0.352) 10.155 6.149 ( -1.671 2.480 -0.791) 3.093 6.493 ( -10.090 4.108 8.616) 13.890 6.820 ( -10.334 0.115 -10.462) 14.706 6.930 ( 3.322 -6.700 4.124) 8.540 7.197 ( 10.306 -1.623 8.116) 13.219 7.234 ( 9.103 2.181 1.983) 9.568 7.450 ( 2.419 0.628 0.787) 2.620 7.612 ( -6.779 -7.786 -2.642) 10.656 7.872 ( 7.660 0.144 -4.233) 8.753 8.023 ( 4.950 2.394 4.220) 6.931 8.220 ( 7.499 1.962 -5.804) 9.683 11.904 ( -1.376 0.373 -0.426) 1.488 11.960 ( -0.439 -0.092 -0.418) 0.614 13.195 ( 8.266 -2.496 3.999) 9.516 13.292 ( 2.036 -2.146 2.416) 3.819 13.753 ( 2.804 -2.089 -0.170) 3.501 13.883 ( -1.885 0.915 1.680) 2.685 14.011 ( 5.598 -2.517 3.130) 6.889 14.271 ( 5.340 -6.954 -13.450) 16.055 15.151 ( 0.510 3.059 5.058) 5.933 15.329 ( 1.247 -3.685 1.271) 4.093 15.793 ( -4.391 5.725 2.874) 7.766 16.265 ( -11.457 11.591 -12.105) 20.302 17.584 ( -1.699 -0.367 2.766) 3.267 17.730 ( -3.686 -3.683 -4.012) 6.576 17.930 ( -0.047 1.493 -0.468) 1.566 18.136 ( 5.566 -2.844 1.338) 6.392 ======================= Grid point 58 (26/60) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 13.042 5.089 5.062) 14.887 0.790 ( 7.901 9.761 9.830) 15.947 0.874 ( -1.646 3.493 -11.118) 11.770 1.086 ( 2.456 5.777 -9.179) 11.120 1.198 ( -0.471 3.466 3.777) 5.148 1.250 ( -1.804 0.851 4.717) 5.122 1.321 ( -5.491 0.219 -1.843) 5.797 1.371 ( 0.355 3.333 -4.014) 5.229 1.409 ( -7.280 0.171 0.855) 7.332 1.472 ( 2.892 0.075 4.760) 5.570 1.526 ( 2.891 3.685 2.588) 5.351 1.553 ( -1.306 2.669 -1.996) 3.580 1.599 ( 4.881 2.135 -2.584) 5.921 1.689 ( 1.847 0.586 0.117) 1.942 1.860 ( 3.114 -2.458 1.428) 4.216 1.881 ( -2.320 -2.496 2.869) 4.455 1.922 ( 3.608 -4.505 -1.362) 5.930 2.010 ( 2.249 0.496 -1.722) 2.875 2.016 ( -1.766 3.194 2.004) 4.164 2.044 ( 2.625 2.148 -1.936) 3.905 2.116 ( 1.157 -0.504 2.584) 2.876 2.200 ( 1.847 -1.491 -5.226) 5.740 2.273 ( 3.984 1.930 0.016) 4.427 2.311 ( 0.924 1.731 0.275) 1.982 2.326 ( 1.129 -0.805 -2.420) 2.789 2.378 ( -3.124 1.852 3.092) 4.770 2.431 ( -2.995 -1.237 -1.391) 3.526 2.454 ( -1.512 -0.118 -3.263) 3.598 2.470 ( -1.867 -0.490 0.026) 1.931 2.592 ( 0.524 1.048 3.609) 3.795 2.664 ( -0.123 -0.066 -1.736) 1.741 2.717 ( -5.791 1.184 1.467) 6.090 2.738 ( -8.075 1.363 0.041) 8.189 2.780 ( -3.590 -2.759 -2.601) 5.221 2.936 ( 0.605 -2.907 -0.345) 2.989 2.945 ( -3.806 -1.485 2.302) 4.690 3.050 ( -0.340 0.337 -2.279) 2.328 3.104 ( -1.124 -1.953 -2.688) 3.508 3.177 ( -2.610 0.003 -1.981) 3.277 3.281 ( -2.022 1.685 0.428) 2.667 3.321 ( -0.316 -1.439 -2.040) 2.517 3.419 ( 2.980 -1.668 4.108) 5.342 3.452 ( -2.225 -0.426 3.871) 4.485 3.605 ( 2.366 -1.966 0.290) 3.090 3.666 ( 1.499 -2.030 2.933) 3.869 3.716 ( -0.219 0.198 -3.037) 3.051 4.069 ( -2.835 -1.721 -0.123) 3.318 4.185 ( -1.778 -0.517 1.661) 2.487 4.471 ( 3.380 -7.875 -1.213) 8.656 4.591 ( 3.542 -5.987 -0.137) 6.958 4.716 ( -4.010 -4.384 3.079) 6.692 4.769 ( -2.885 -1.852 0.496) 3.464 4.989 ( -3.952 1.805 -0.203) 4.349 5.033 ( -5.277 1.819 0.500) 5.604 5.377 ( 1.429 6.060 3.368) 7.079 5.627 ( -7.803 5.615 -0.006) 9.613 5.782 ( 1.074 -2.731 0.617) 2.999 6.091 ( -3.531 0.579 -1.624) 3.929 6.317 ( -10.479 4.199 6.186) 12.872 6.624 ( -8.864 2.837 -7.125) 11.722 6.889 ( -5.033 -3.012 1.677) 6.101 7.300 ( 1.005 -8.943 4.940) 10.266 7.377 ( -2.670 -12.450 -1.013) 12.774 7.487 ( 8.435 0.699 2.402) 8.798 7.647 ( 8.991 5.215 -0.307) 10.399 7.983 ( 4.146 0.112 -6.043) 7.330 8.149 ( 6.958 1.693 4.393) 8.401 8.366 ( 7.704 2.887 -5.082) 9.670 11.889 ( 0.038 0.597 -0.816) 1.012 11.953 ( -0.234 -0.221 -0.888) 0.945 13.320 ( 0.477 -0.603 6.151) 6.199 13.378 ( 9.050 -4.178 5.564) 11.416 13.812 ( 3.461 0.107 -3.352) 4.820 13.813 ( -3.928 1.478 -1.829) 4.578 14.103 ( 3.463 -2.198 2.726) 4.925 14.381 ( 6.858 -9.137 -11.848) 16.459 15.175 ( 1.217 3.250 5.450) 6.460 15.359 ( 1.807 -3.589 1.965) 4.473 15.705 ( -4.569 5.195 -0.987) 6.988 16.020 ( -12.116 11.567 -5.604) 17.664 17.545 ( -2.266 0.162 0.950) 2.463 17.659 ( -2.907 -2.446 -3.950) 5.480 17.956 ( 2.226 1.007 1.236) 2.738 18.177 ( -0.420 -1.376 2.291) 2.705 ======================= Grid point 59 (27/60) ======================= q-point: ( 0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -0.534 6.661 1.055) 6.765 0.871 ( 9.804 1.889 2.022) 10.187 0.971 ( 10.814 6.682 -0.703) 12.731 1.095 ( -0.183 2.135 -3.942) 4.487 1.123 ( -9.617 0.177 -5.325) 10.994 1.218 ( -2.425 2.058 0.084) 3.182 1.269 ( 1.686 4.567 -1.434) 5.075 1.310 ( 0.049 2.341 0.560) 2.408 1.407 ( 1.963 1.422 -1.668) 2.942 1.428 ( -2.306 2.378 -1.538) 3.652 1.498 ( -1.002 2.108 -1.554) 2.804 1.628 ( 0.029 2.177 1.988) 2.948 1.671 ( 2.749 2.819 -1.470) 4.203 1.743 ( 3.019 0.810 3.130) 4.424 1.819 ( -2.924 -2.700 3.337) 5.194 1.864 ( -0.629 -0.863 1.364) 1.733 1.981 ( -2.061 -5.667 -1.168) 6.142 1.991 ( -2.545 2.868 -0.244) 3.842 2.032 ( 2.705 -2.248 -0.424) 3.543 2.078 ( 0.992 -2.711 -1.431) 3.222 2.178 ( 1.516 1.627 -0.895) 2.397 2.245 ( 1.638 0.170 -2.916) 3.349 2.279 ( -1.682 -1.646 2.442) 3.391 2.301 ( -1.836 0.124 1.641) 2.466 2.318 ( -0.502 -1.360 5.060) 5.263 2.349 ( 0.397 0.916 -1.005) 1.417 2.391 ( -2.416 1.513 -3.249) 4.323 2.409 ( -4.003 5.127 1.152) 6.606 2.524 ( 4.405 2.817 2.897) 5.978 2.582 ( 1.927 1.718 0.445) 2.620 2.603 ( 0.536 1.807 0.026) 1.885 2.628 ( -2.052 1.779 1.604) 3.154 2.671 ( 0.265 0.505 1.600) 1.698 2.762 ( -1.583 -4.497 -0.463) 4.790 2.914 ( 0.192 -1.404 1.323) 1.938 2.970 ( -5.884 -2.292 -7.281) 9.638 2.987 ( 3.768 -0.260 -3.832) 5.380 3.118 ( 0.829 -0.087 1.641) 1.841 3.143 ( 0.520 -2.525 -4.566) 5.243 3.232 ( -3.746 3.374 -1.534) 5.270 3.315 ( 0.977 -0.976 -0.089) 1.384 3.421 ( -1.523 -0.660 3.504) 3.877 3.474 ( 1.996 -2.005 3.647) 4.616 3.632 ( -0.172 -1.691 0.450) 1.758 3.663 ( -1.496 -2.044 0.728) 2.636 3.714 ( 0.027 -3.260 -2.545) 4.135 4.031 ( -1.152 -0.548 0.719) 1.464 4.144 ( -2.793 -1.275 -2.012) 3.671 4.517 ( 2.483 -8.528 0.817) 8.920 4.608 ( -2.140 -4.344 2.958) 5.674 4.663 ( -0.694 -5.387 -3.294) 6.352 4.715 ( -2.124 -1.616 -0.010) 2.669 4.959 ( -1.002 2.443 2.413) 3.577 4.988 ( 0.674 -0.154 1.196) 1.382 5.499 ( 8.638 7.004 6.887) 13.080 5.522 ( -1.496 5.978 3.138) 6.916 5.776 ( -1.820 -3.489 -3.110) 5.016 6.019 ( -3.841 5.094 -3.921) 7.488 6.158 ( -6.368 1.628 4.136) 7.766 6.477 ( -4.977 2.482 -6.519) 8.569 6.840 ( 0.461 -2.197 4.010) 4.595 7.194 ( -6.236 -12.694 -2.602) 14.380 7.440 ( 4.417 -13.381 4.178) 14.697 7.593 ( 1.195 -0.815 3.694) 3.967 7.796 ( 5.558 8.904 -0.400) 10.504 8.016 ( 0.687 1.554 -7.033) 7.235 8.247 ( 2.250 -0.664 4.975) 5.500 8.474 ( 4.586 3.635 -5.583) 8.088 11.899 ( 0.903 0.529 -0.473) 1.149 11.946 ( -0.488 -0.192 -1.517) 1.605 13.335 ( 0.418 0.117 8.170) 8.181 13.496 ( 2.251 -4.583 4.930) 7.097 13.762 ( -0.882 0.223 -1.994) 2.192 13.865 ( 2.332 1.686 -3.621) 4.625 14.141 ( 0.010 -2.172 2.770) 3.520 14.470 ( 4.167 -9.239 -11.740) 15.509 15.203 ( 0.809 3.827 5.828) 7.019 15.394 ( 1.024 -2.766 4.304) 5.218 15.638 ( -2.012 4.508 -3.387) 5.987 15.830 ( -6.990 10.836 -5.398) 13.979 17.513 ( -1.163 0.407 0.381) 1.290 17.618 ( -1.042 -1.994 -3.719) 4.346 18.003 ( 2.337 0.846 2.900) 3.819 18.149 ( -2.505 -0.248 1.283) 2.825 ======================= Grid point 60 (28/60) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -9.510 6.113 1.783) 11.445 0.896 ( -10.870 4.553 -6.369) 13.396 1.022 ( 7.775 1.425 3.734) 8.742 1.078 ( -2.326 1.836 -0.948) 3.111 1.187 ( 8.585 1.868 1.600) 8.930 1.221 ( 2.743 3.006 -0.057) 4.069 1.290 ( -0.668 3.117 -4.044) 5.150 1.343 ( 4.150 3.548 -2.199) 5.886 1.372 ( -0.452 3.490 -10.886) 11.440 1.464 ( -0.190 1.507 1.084) 1.866 1.521 ( 2.847 2.815 2.172) 4.555 1.616 ( 1.029 3.197 -1.681) 3.756 1.687 ( -3.572 -1.004 5.775) 6.864 1.743 ( 1.690 1.193 6.609) 6.925 1.775 ( -9.306 -0.215 0.010) 9.308 1.842 ( -0.346 -1.785 3.455) 3.904 1.923 ( -1.250 -0.680 -2.668) 3.024 1.941 ( 0.503 0.137 -0.569) 0.772 2.056 ( -0.316 0.696 -2.247) 2.373 2.079 ( -1.554 -2.305 -4.252) 5.080 2.150 ( -2.180 0.355 -3.707) 4.315 2.182 ( -4.621 1.581 -1.987) 5.273 2.221 ( -5.126 0.549 4.943) 7.142 2.287 ( -3.264 0.115 3.083) 4.492 2.305 ( 0.751 -1.986 -1.807) 2.788 2.343 ( -0.001 1.618 -1.018) 1.912 2.396 ( 4.660 -1.512 5.301) 7.218 2.439 ( 3.484 -0.451 5.708) 6.703 2.587 ( 0.758 -0.058 0.015) 0.760 2.607 ( -1.922 0.727 -2.470) 3.213 2.656 ( 3.650 -1.488 -0.258) 3.950 2.678 ( 5.726 5.229 -1.458) 7.890 2.708 ( 5.080 -2.744 0.719) 5.819 2.805 ( 6.440 3.623 2.843) 7.918 2.830 ( -5.084 -3.039 -0.130) 5.924 2.966 ( 3.177 -2.412 0.198) 3.994 3.038 ( 1.402 1.308 -4.616) 4.998 3.104 ( -1.868 -0.122 -6.092) 6.373 3.149 ( -2.221 3.839 -4.857) 6.577 3.192 ( 3.176 -2.005 -1.503) 4.046 3.335 ( -1.309 -1.789 3.043) 3.765 3.407 ( 0.902 0.778 4.286) 4.448 3.513 ( 1.315 -2.612 3.719) 4.731 3.573 ( -4.348 -1.031 -0.396) 4.486 3.651 ( -0.927 -3.935 0.931) 4.149 3.707 ( -0.319 -2.742 -2.646) 3.824 4.028 ( 0.554 -0.522 0.966) 1.230 4.098 ( -0.873 -1.270 -1.989) 2.517 4.555 ( 0.165 -8.362 1.492) 8.496 4.590 ( -1.808 -5.673 0.269) 5.960 4.636 ( -0.737 -3.423 -0.049) 3.502 4.691 ( 0.546 -0.456 -0.998) 1.225 4.963 ( 1.553 1.077 1.634) 2.498 5.027 ( 3.111 0.748 1.908) 3.725 5.559 ( 5.755 2.469 5.113) 8.084 5.693 ( 6.446 8.381 7.538) 12.985 5.732 ( -0.516 -3.211 -3.403) 4.707 5.954 ( -0.834 6.130 -6.150) 8.723 6.103 ( 0.394 0.768 3.552) 3.655 6.467 ( 4.984 1.955 -6.662) 8.547 6.909 ( 5.059 -3.702 5.885) 8.598 7.133 ( 1.236 -11.515 -4.901) 12.575 7.484 ( -1.766 -11.189 7.127) 13.383 7.556 ( -4.234 -1.750 1.505) 4.822 7.810 ( -4.157 6.511 -0.711) 7.758 8.002 ( -1.368 4.972 -6.879) 8.598 8.244 ( -2.821 -2.362 4.370) 5.713 8.515 ( 0.326 2.004 -5.222) 5.603 11.915 ( 0.689 0.287 0.049) 0.748 11.932 ( -0.651 -0.073 -2.100) 2.200 13.364 ( 1.521 0.241 9.838) 9.958 13.477 ( -4.377 -3.902 3.217) 6.688 13.762 ( 0.410 -0.815 -1.214) 1.518 13.881 ( -0.088 1.982 -4.181) 4.628 14.106 ( -4.070 -4.091 2.121) 6.148 14.502 ( 0.809 -9.598 -11.872) 15.288 15.219 ( 0.177 3.808 6.638) 7.654 15.383 ( -3.273 -0.202 5.198) 6.146 15.629 ( 1.571 5.671 -3.993) 7.111 15.771 ( 1.689 10.942 -5.767) 12.483 17.504 ( 0.073 0.502 0.539) 0.740 17.608 ( 0.293 -1.848 -3.852) 4.283 18.043 ( 1.173 0.557 4.189) 4.386 18.096 ( -2.997 0.462 0.086) 3.034 ======================= Grid point 61 (29/60) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -13.675 5.916 -3.408) 15.285 0.708 ( -9.119 12.234 1.492) 15.332 1.029 ( -1.582 1.100 1.743) 2.599 1.165 ( 0.725 1.092 6.398) 6.531 1.206 ( -2.831 2.545 -0.855) 3.902 1.267 ( 2.442 2.171 -3.281) 4.631 1.313 ( 2.962 3.663 -0.097) 4.712 1.342 ( -5.216 4.848 1.822) 7.350 1.387 ( -1.572 4.528 -5.429) 7.242 1.458 ( 2.640 2.617 -0.367) 3.735 1.490 ( -0.218 4.748 -1.363) 4.945 1.630 ( -1.457 1.429 3.517) 4.066 1.641 ( 1.757 2.835 -2.215) 4.004 1.735 ( -3.898 1.035 0.900) 4.132 1.766 ( -2.973 -2.675 -0.754) 4.070 1.794 ( 2.293 -3.417 2.904) 5.036 1.895 ( -1.612 -2.533 2.387) 3.835 2.007 ( 0.915 2.587 -0.714) 2.836 2.011 ( 0.697 -3.369 -5.303) 6.321 2.044 ( 1.291 0.875 -1.698) 2.305 2.116 ( 0.082 -1.820 -1.521) 2.373 2.161 ( 0.578 1.347 4.062) 4.318 2.176 ( 0.291 -2.028 -0.715) 2.170 2.243 ( -2.045 1.450 2.175) 3.319 2.316 ( 0.825 0.521 -4.081) 4.196 2.344 ( 1.027 3.505 -0.548) 3.693 2.454 ( -1.441 -0.663 1.837) 2.427 2.472 ( -4.676 1.281 -2.130) 5.296 2.512 ( 2.689 -3.738 1.048) 4.723 2.672 ( 6.274 -2.263 0.729) 6.710 2.722 ( 2.358 -4.072 0.796) 4.772 2.746 ( -3.147 -0.442 0.345) 3.197 2.804 ( 6.337 -2.571 4.555) 8.217 2.857 ( 3.853 5.072 -3.291) 7.170 2.905 ( 4.008 0.270 -3.548) 5.360 2.946 ( -0.526 1.940 -1.502) 2.510 3.070 ( 3.299 -2.171 -0.478) 3.978 3.090 ( 1.405 3.889 -3.940) 5.712 3.162 ( 1.934 1.336 -2.171) 3.199 3.240 ( 2.340 -0.696 -1.235) 2.736 3.274 ( -4.273 -0.691 2.295) 4.900 3.441 ( 1.066 -0.595 6.255) 6.373 3.491 ( -4.643 -4.176 0.676) 6.281 3.544 ( 1.758 -0.239 1.363) 2.237 3.622 ( -2.396 -3.259 2.008) 4.516 3.704 ( 0.680 0.450 -1.986) 2.147 4.046 ( 1.167 -2.528 0.009) 2.784 4.127 ( 3.859 -0.500 1.414) 4.140 4.479 ( -6.782 -6.052 -1.205) 9.169 4.530 ( -3.311 -6.046 -0.537) 6.914 4.665 ( 2.193 -0.659 3.594) 4.262 4.740 ( 3.330 -1.741 0.070) 3.759 5.034 ( 5.911 -1.733 0.039) 6.160 5.100 ( 3.952 0.511 0.881) 4.081 5.669 ( 1.088 2.773 1.316) 3.256 5.739 ( 5.026 3.078 1.711) 6.137 5.800 ( 8.619 -0.144 -2.021) 8.854 5.989 ( 1.878 4.277 -1.938) 5.057 6.210 ( 9.905 1.197 8.876) 13.353 6.607 ( 9.766 1.196 -7.345) 12.279 6.992 ( 2.930 -12.162 0.435) 12.518 7.204 ( 0.659 -0.933 1.791) 2.124 7.425 ( 1.967 -1.934 1.390) 3.089 7.477 ( -5.622 -6.618 5.683) 10.378 7.667 ( -10.260 1.895 -1.481) 10.538 7.932 ( -5.119 6.511 -5.713) 10.061 8.170 ( -5.562 -4.875 2.941) 7.960 8.467 ( -4.795 -0.895 -5.384) 7.265 11.915 ( -0.188 -0.115 -2.008) 2.020 11.930 ( 0.458 0.261 0.131) 0.543 13.350 ( -8.557 -2.975 3.411) 9.680 13.428 ( 3.139 -0.960 12.439) 12.865 13.736 ( -4.395 -2.741 -5.633) 7.653 13.870 ( 0.574 0.960 -4.241) 4.386 13.997 ( -7.638 -6.362 1.731) 10.090 14.466 ( -3.025 -7.712 -12.255) 14.792 15.227 ( -0.523 2.919 6.304) 6.966 15.307 ( -4.327 2.295 5.054) 7.038 15.689 ( 5.380 8.431 -2.167) 10.233 15.862 ( 8.584 14.528 -5.515) 17.753 17.518 ( 1.379 0.595 1.126) 1.878 17.611 ( 0.478 -1.407 -3.801) 4.081 18.025 ( -2.958 -0.200 0.485) 3.005 18.069 ( -0.746 1.293 3.624) 3.920 ======================= Grid point 62 (30/60) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( -1.997 13.714 4.975) 14.725 0.575 ( -5.441 13.710 8.472) 17.010 0.961 ( -14.375 12.113 14.130) 23.516 1.048 ( 2.334 1.315 -1.922) 3.297 1.129 ( -5.124 4.489 0.535) 6.833 1.275 ( -1.889 3.091 -3.857) 5.291 1.329 ( 0.358 4.472 -2.836) 5.308 1.385 ( 6.542 -2.071 1.480) 7.020 1.409 ( 3.021 2.234 -0.063) 3.757 1.484 ( 0.026 -0.072 -3.077) 3.078 1.541 ( -0.008 2.783 -0.826) 2.903 1.585 ( -3.656 1.085 -4.845) 6.166 1.610 ( 0.789 2.252 -0.151) 2.391 1.671 ( -2.432 1.393 0.286) 2.817 1.756 ( 0.017 0.126 2.497) 2.500 1.782 ( -0.532 0.355 6.317) 6.349 1.881 ( -1.304 -2.181 1.006) 2.733 1.977 ( 0.141 1.087 -2.655) 2.873 2.072 ( 1.064 1.283 1.193) 2.050 2.095 ( 2.367 -1.495 -2.025) 3.456 2.125 ( -0.186 -2.445 3.717) 4.452 2.185 ( 0.974 -1.094 1.615) 2.180 2.208 ( 0.152 0.955 2.673) 2.842 2.251 ( 5.921 -2.040 -9.394) 11.290 2.325 ( 0.619 2.214 -4.168) 4.760 2.348 ( -2.370 1.536 -4.633) 5.426 2.411 ( 0.115 2.894 -2.791) 4.022 2.427 ( -0.247 1.900 -0.329) 1.944 2.566 ( 3.057 -4.595 -1.986) 5.866 2.676 ( -3.065 -1.886 2.755) 4.532 2.708 ( -5.199 -0.593 -2.915) 5.990 2.757 ( -0.287 -2.156 -1.757) 2.796 2.826 ( 5.632 -6.352 2.121) 8.750 2.929 ( 3.192 3.910 2.793) 5.769 2.998 ( 3.590 0.656 -5.196) 6.350 3.035 ( 5.646 1.235 4.082) 7.076 3.089 ( -1.161 -3.557 -0.728) 3.812 3.114 ( 0.757 -0.007 0.637) 0.989 3.191 ( 1.012 0.826 2.456) 2.781 3.223 ( 0.565 0.398 1.373) 1.537 3.319 ( 5.912 1.848 -2.821) 6.806 3.367 ( -7.058 -6.267 3.878) 10.204 3.500 ( 2.769 1.144 2.131) 3.677 3.540 ( -3.336 -2.640 6.354) 7.647 3.594 ( 0.025 1.277 -0.799) 1.506 3.730 ( 2.683 4.040 -4.846) 6.856 4.080 ( 2.905 -3.293 0.059) 4.392 4.209 ( 2.983 -3.341 2.040) 4.921 4.372 ( -3.258 -4.561 0.176) 5.608 4.470 ( -2.660 -2.898 0.173) 3.937 4.698 ( 0.619 0.841 3.335) 3.495 4.784 ( 1.228 -2.932 0.745) 3.265 5.153 ( 4.283 -2.183 -0.148) 4.809 5.173 ( 5.645 -2.470 -2.209) 6.545 5.649 ( -0.813 -4.155 -2.455) 4.894 5.894 ( 6.839 5.265 0.827) 8.671 5.989 ( -0.779 -2.406 3.199) 4.078 6.015 ( 12.731 4.182 -3.624) 13.882 6.420 ( 10.224 2.436 9.153) 13.937 6.773 ( 7.866 0.698 -5.954) 9.890 6.959 ( -6.724 -18.373 4.751) 20.133 7.123 ( -5.722 4.336 -0.266) 7.185 7.345 ( -10.272 3.467 -0.503) 10.853 7.481 ( -4.862 -1.396 6.335) 8.107 7.629 ( 12.092 -3.931 0.827) 12.742 7.823 ( -4.871 1.975 -6.972) 8.731 8.039 ( -8.658 -5.942 3.251) 10.992 8.328 ( -8.786 -2.229 -7.543) 11.793 11.925 ( 1.656 0.102 -1.289) 2.101 11.938 ( 0.243 0.165 0.399) 0.496 13.187 ( -7.966 -2.172 3.259) 8.877 13.515 ( -5.728 -14.367 4.678) 16.159 13.552 ( -3.797 2.240 1.432) 4.635 13.866 ( -5.394 -0.655 3.296) 6.355 13.899 ( 2.584 0.373 -3.715) 4.541 14.368 ( -5.241 -2.501 -12.313) 13.614 15.190 ( -3.294 4.322 3.318) 6.367 15.284 ( 0.454 -0.677 6.535) 6.586 15.796 ( 4.570 6.352 4.291) 8.925 16.096 ( 18.201 21.511 -12.861) 30.974 17.557 ( 2.225 0.605 1.560) 2.784 17.628 ( 2.969 -0.148 0.005) 2.973 17.973 ( -2.330 0.157 -0.809) 2.472 18.038 ( -3.217 1.227 3.019) 4.580 ======================= Grid point 63 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.306 11.142 10.472) 15.294 0.743 ( -0.245 12.421 9.036) 15.362 1.113 ( -0.806 3.826 -6.662) 7.725 1.161 ( 1.100 9.708 -1.897) 9.952 1.255 ( -1.506 5.159 0.562) 5.403 1.299 ( 2.191 -2.416 0.485) 3.298 1.313 ( -0.021 4.374 1.756) 4.713 1.412 ( -3.554 5.614 -2.207) 7.002 1.440 ( 0.736 0.461 -0.118) 0.876 1.496 ( -1.414 2.349 4.635) 5.385 1.527 ( -0.360 -2.272 1.947) 3.014 1.589 ( -2.171 -1.748 1.055) 2.981 1.681 ( 3.628 -0.103 -1.455) 3.910 1.726 ( -0.491 3.905 1.570) 4.238 1.736 ( 2.939 5.851 3.682) 7.512 1.809 ( -2.009 -1.735 1.821) 3.219 1.901 ( 1.467 3.140 -2.047) 4.025 1.999 ( -2.225 -1.031 2.071) 3.210 2.030 ( 0.584 -4.749 -2.876) 5.582 2.084 ( -0.805 -3.235 -0.609) 3.389 2.122 ( 4.109 -1.497 1.959) 4.792 2.175 ( -2.938 2.849 1.046) 4.224 2.265 ( 1.438 1.507 -1.154) 2.381 2.294 ( 3.620 1.358 0.833) 3.955 2.363 ( 1.322 2.947 -6.095) 6.898 2.397 ( -1.894 5.795 -5.557) 8.249 2.426 ( -0.839 3.822 -7.443) 8.409 2.454 ( 1.187 -3.730 -2.224) 4.502 2.550 ( -3.331 2.470 0.185) 4.151 2.597 ( -1.738 -2.889 -0.727) 3.449 2.652 ( -1.147 -0.714 1.335) 1.899 2.675 ( 5.164 -6.324 0.430) 8.176 2.808 ( 3.050 -2.572 -0.502) 4.022 2.914 ( -3.761 -4.366 -1.296) 5.907 2.959 ( -2.655 -5.465 -3.495) 7.009 3.023 ( 0.767 -1.217 -2.197) 2.626 3.088 ( -3.772 2.558 1.823) 4.909 3.145 ( -0.146 -3.443 4.190) 5.426 3.186 ( 1.903 2.749 1.257) 3.572 3.227 ( -1.722 -0.084 7.905) 8.091 3.318 ( 6.238 -0.004 1.287) 6.369 3.355 ( -0.878 -0.156 1.128) 1.438 3.505 ( 0.920 -0.561 1.246) 1.647 3.575 ( -3.169 -1.279 2.748) 4.385 3.600 ( 0.866 3.475 -0.659) 3.641 3.774 ( 0.489 -2.079 -8.929) 9.181 4.047 ( 0.852 -5.389 0.786) 5.513 4.102 ( 0.844 -6.191 -0.079) 6.249 4.246 ( 0.453 -7.175 1.716) 7.392 4.355 ( 0.881 -8.727 -0.748) 8.803 4.700 ( -0.508 -1.299 0.881) 1.650 4.727 ( 0.813 -2.375 0.850) 2.650 5.162 ( 0.508 -0.860 0.091) 1.003 5.189 ( 1.285 -2.467 0.245) 2.792 5.586 ( -2.762 3.140 1.563) 4.464 5.817 ( -8.195 -1.378 -7.028) 10.884 6.094 ( -3.788 8.137 3.099) 9.495 6.305 ( 3.046 10.561 -3.925) 11.671 6.586 ( -2.694 -5.541 5.766) 8.439 6.656 ( 8.261 -3.208 7.506) 11.614 6.902 ( 4.237 0.370 -1.652) 4.563 7.036 ( 0.380 -2.797 1.674) 3.281 7.306 ( -4.578 4.439 0.417) 6.391 7.508 ( -9.299 -0.109 -0.540) 9.315 7.660 ( 0.586 -1.408 2.078) 2.578 7.689 ( 4.745 -1.328 1.776) 5.237 7.950 ( 2.653 -0.147 0.973) 2.829 8.132 ( -0.801 -4.743 -5.737) 7.487 11.933 ( -0.716 0.282 0.361) 0.849 11.957 ( 0.811 -0.241 -0.588) 1.031 13.085 ( -0.055 -0.951 1.942) 2.163 13.193 ( -1.256 -4.366 -1.268) 4.716 13.660 ( 1.877 2.694 7.634) 8.310 13.885 ( 1.478 2.860 2.427) 4.032 13.961 ( 3.288 0.548 -3.013) 4.494 14.124 ( -4.373 -10.014 -7.729) 13.384 15.242 ( -1.761 4.851 3.582) 6.282 15.324 ( -0.134 2.816 2.928) 4.064 15.980 ( -0.108 8.253 3.371) 8.916 16.445 ( 2.484 -2.728 -15.122) 15.566 17.586 ( 0.260 0.116 1.935) 1.956 17.674 ( 1.245 -3.155 0.956) 3.523 18.001 ( -2.008 1.557 -0.145) 2.546 18.009 ( 3.037 1.391 -0.161) 3.344 ======================= Grid point 64 (32/60) ======================= q-point: ( 0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 1.249 10.754 10.484) 15.071 0.841 ( 7.178 10.376 8.602) 15.271 1.047 ( -3.985 5.935 -9.617) 11.983 1.205 ( 1.927 5.342 -2.519) 6.212 1.227 ( -0.265 4.327 3.248) 5.417 1.298 ( 0.442 2.604 2.813) 3.859 1.361 ( 1.017 -1.759 -1.690) 2.643 1.403 ( -1.093 2.131 0.190) 2.402 1.445 ( 0.431 2.342 0.134) 2.385 1.486 ( 2.384 1.665 2.611) 3.908 1.531 ( -0.185 -0.159 1.848) 1.865 1.607 ( 2.928 -1.167 -2.595) 4.083 1.671 ( -2.971 3.268 1.166) 4.568 1.707 ( 1.001 -0.969 -2.006) 2.442 1.771 ( -1.240 7.314 -0.673) 7.448 1.817 ( 0.289 -2.002 4.706) 5.122 1.903 ( -1.243 0.120 -2.657) 2.936 1.974 ( 0.022 -3.446 0.998) 3.588 2.034 ( -0.272 3.228 -0.205) 3.246 2.093 ( 1.972 0.865 3.992) 4.536 2.127 ( 0.245 -3.670 0.736) 3.751 2.191 ( 2.796 0.299 -1.572) 3.222 2.263 ( -1.628 2.358 -1.507) 3.238 2.313 ( -2.906 4.062 -5.896) 7.727 2.350 ( 2.565 5.602 -0.147) 6.163 2.388 ( 1.455 0.479 -3.757) 4.058 2.452 ( 1.092 2.524 1.367) 3.071 2.473 ( 1.737 -1.988 -3.404) 4.308 2.527 ( -4.306 -0.835 -0.874) 4.473 2.537 ( 1.290 -0.875 1.552) 2.200 2.634 ( -0.373 -0.483 2.555) 2.627 2.757 ( -0.184 -2.736 -4.639) 5.389 2.822 ( -5.988 -1.413 2.054) 6.486 2.843 ( 0.365 -5.389 -3.316) 6.338 2.897 ( -2.116 -3.477 -1.430) 4.315 2.992 ( -1.560 -2.677 1.017) 3.261 3.046 ( -1.921 1.335 -0.632) 2.423 3.126 ( -1.718 -0.127 -0.713) 1.865 3.172 ( -1.349 -0.585 0.653) 1.609 3.272 ( 2.531 -2.955 2.568) 4.662 3.343 ( 0.125 1.536 0.435) 1.601 3.404 ( -0.566 0.856 1.723) 2.006 3.477 ( -3.520 -0.946 3.301) 4.918 3.525 ( 0.131 -0.571 2.391) 2.461 3.608 ( 0.852 0.791 0.217) 1.183 3.752 ( -1.925 -1.502 -5.287) 5.824 4.053 ( -0.453 -4.386 0.103) 4.411 4.113 ( 0.233 -6.183 1.667) 6.408 4.278 ( 2.604 -7.251 0.802) 7.746 4.371 ( 1.256 -9.441 -0.566) 9.541 4.692 ( -1.340 -1.818 1.617) 2.777 4.739 ( 0.099 -3.127 -0.465) 3.162 5.125 ( -4.384 0.822 -0.411) 4.479 5.149 ( -4.717 -0.779 -0.717) 4.835 5.533 ( -3.533 5.055 1.198) 6.283 5.708 ( -1.153 -0.027 -1.561) 1.941 5.966 ( -8.125 8.893 1.462) 12.134 6.253 ( -8.490 7.610 -2.257) 11.623 6.513 ( -3.942 -2.184 7.667) 8.893 6.758 ( 0.725 -4.630 -1.676) 4.977 6.876 ( -4.534 0.170 -1.885) 4.913 7.086 ( -0.903 -7.073 2.225) 7.469 7.289 ( 2.463 0.731 3.254) 4.146 7.383 ( -5.337 -6.881 -0.987) 8.764 7.614 ( 3.620 6.991 1.674) 8.049 7.879 ( 9.871 0.444 1.104) 9.942 8.051 ( 7.033 0.928 1.609) 7.275 8.209 ( 8.671 -2.732 -5.930) 10.855 11.915 ( -0.949 0.760 -0.232) 1.238 11.957 ( -0.467 -0.295 -0.169) 0.577 13.149 ( 6.489 -1.635 2.503) 7.145 13.244 ( 4.545 -2.898 -0.318) 5.399 13.706 ( 2.812 -1.053 2.965) 4.220 13.919 ( -2.889 1.111 0.045) 3.096 13.982 ( 2.915 -1.291 2.447) 4.019 14.117 ( 4.979 -6.613 -8.722) 12.025 15.232 ( 0.127 4.798 4.494) 6.575 15.334 ( 0.772 2.206 2.978) 3.786 15.938 ( -4.450 8.424 1.546) 9.652 16.362 ( -8.328 -0.950 -12.239) 14.834 17.579 ( -1.325 -0.116 2.332) 2.684 17.657 ( -2.382 -3.272 -1.072) 4.187 17.971 ( -0.279 2.478 -0.569) 2.558 18.096 ( 4.229 -1.488 1.177) 4.635 ======================= Grid point 65 (33/60) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 8.970 7.908 5.892) 13.331 0.946 ( 1.392 5.715 -0.302) 5.890 1.039 ( 5.987 11.906 3.292) 13.727 1.209 ( -1.059 5.058 -6.636) 8.411 1.253 ( -1.447 -1.131 3.677) 4.110 1.287 ( 1.379 5.360 1.060) 5.635 1.329 ( -3.611 -0.453 -2.012) 4.158 1.357 ( -1.587 -1.581 1.724) 2.827 1.454 ( -4.201 2.568 -5.600) 7.457 1.497 ( 0.220 2.975 2.759) 4.064 1.565 ( 2.445 2.245 -2.638) 4.240 1.617 ( -0.558 0.846 -2.800) 2.978 1.651 ( 0.892 0.314 2.041) 2.249 1.745 ( 4.986 5.055 -0.172) 7.103 1.785 ( 2.432 -2.799 1.080) 3.862 1.823 ( -0.364 -2.890 2.501) 3.839 1.864 ( -1.390 -0.006 -1.060) 1.747 1.979 ( -0.228 -4.291 -0.959) 4.403 2.041 ( 0.759 0.803 -1.439) 1.814 2.120 ( -0.834 2.340 0.417) 2.519 2.145 ( 0.767 0.741 1.560) 1.890 2.211 ( -2.327 2.858 -3.323) 4.963 2.261 ( 5.027 -1.818 0.697) 5.391 2.302 ( 1.068 0.597 2.722) 2.985 2.371 ( -3.322 -1.715 -0.591) 3.785 2.396 ( -2.665 3.257 0.839) 4.291 2.440 ( 3.675 7.320 1.559) 8.338 2.483 ( -1.702 0.937 1.003) 2.186 2.518 ( 4.351 3.172 2.126) 5.789 2.593 ( 2.580 -2.688 0.519) 3.762 2.629 ( 0.247 -3.797 0.797) 3.887 2.702 ( -3.942 -1.094 0.913) 4.191 2.718 ( -3.754 -2.431 0.250) 4.479 2.772 ( -7.920 1.926 -5.751) 9.976 2.895 ( 3.064 -0.445 -6.424) 7.131 2.950 ( -4.437 1.981 1.164) 4.996 3.030 ( -0.359 -3.045 -1.047) 3.240 3.068 ( -2.685 -1.235 -3.509) 4.588 3.152 ( -1.394 -1.358 -3.328) 3.855 3.312 ( -1.209 -0.370 0.819) 1.507 3.332 ( -3.170 1.403 2.228) 4.121 3.358 ( 3.807 -3.536 0.499) 5.219 3.437 ( -1.942 -0.527 4.831) 5.233 3.563 ( 1.313 -2.173 2.007) 3.237 3.628 ( 0.754 -1.094 1.465) 1.978 3.696 ( -3.111 -1.870 -2.982) 4.698 4.032 ( -1.446 -1.966 -0.093) 2.442 4.120 ( -0.020 -5.232 2.279) 5.707 4.318 ( 1.353 -7.058 -1.153) 7.278 4.420 ( 3.722 -9.783 0.114) 10.467 4.637 ( -4.555 -3.105 0.607) 5.545 4.711 ( -2.902 -3.899 -0.670) 4.906 5.026 ( -4.043 1.877 -0.829) 4.534 5.067 ( -3.664 1.306 -0.234) 3.897 5.526 ( 3.323 7.702 3.047) 8.924 5.705 ( -2.168 1.421 3.599) 4.435 5.837 ( -4.653 8.401 -0.458) 9.614 6.105 ( -4.450 1.307 -2.499) 5.268 6.385 ( -10.748 2.548 4.924) 12.094 6.681 ( -7.814 3.078 -6.522) 10.634 6.800 ( -1.936 -7.508 -0.188) 7.756 7.082 ( 1.294 -11.702 1.410) 11.858 7.181 ( -10.943 -5.588 1.843) 12.425 7.396 ( 4.006 -8.080 2.347) 9.319 7.800 ( 12.025 9.088 0.899) 15.100 8.030 ( 6.003 3.115 0.174) 6.766 8.191 ( 6.970 2.387 1.917) 7.612 8.377 ( 8.817 -1.527 -5.433) 10.469 11.906 ( 0.069 0.992 -0.495) 1.111 11.949 ( -0.290 -0.261 -0.273) 0.477 13.295 ( 6.674 -3.168 3.298) 8.090 13.311 ( 3.135 -0.802 2.291) 3.965 13.772 ( 3.256 -2.867 -2.382) 4.949 13.836 ( -2.988 -1.019 -3.148) 4.458 14.061 ( 3.296 -1.131 4.791) 5.925 14.218 ( 5.921 -5.915 -6.595) 10.655 15.256 ( 1.575 4.686 5.645) 7.503 15.360 ( 1.515 1.979 4.528) 5.169 15.839 ( -5.461 7.847 -1.760) 9.721 16.157 ( -10.827 2.166 -9.327) 14.453 17.549 ( -1.768 0.259 1.333) 2.229 17.608 ( -2.202 -2.350 -1.694) 3.639 17.987 ( 1.706 2.164 0.556) 2.811 18.145 ( 0.793 -1.965 1.368) 2.523 ======================= Grid point 66 (34/60) ======================= q-point: ( 0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 6.995 4.287 2.334) 8.529 0.998 ( 2.948 7.623 0.661) 8.200 1.113 ( -4.208 3.428 -3.703) 6.571 1.144 ( -0.927 5.606 2.598) 6.248 1.192 ( -1.031 6.148 -6.698) 9.150 1.273 ( -0.805 4.266 -3.517) 5.587 1.337 ( 1.498 2.145 3.162) 4.104 1.368 ( 1.439 2.003 0.646) 2.550 1.399 ( 1.533 -1.174 -2.268) 2.978 1.485 ( -1.213 2.862 -0.722) 3.191 1.550 ( -0.873 2.257 -0.796) 2.548 1.657 ( 2.243 0.874 0.268) 2.422 1.705 ( 3.891 0.406 3.064) 4.969 1.771 ( -3.822 1.177 1.651) 4.327 1.828 ( 1.293 0.014 4.691) 4.866 1.841 ( 0.951 -1.560 0.150) 1.834 1.852 ( 0.368 -0.548 -3.837) 3.893 1.978 ( 1.596 -3.153 -0.530) 3.573 2.026 ( -1.689 -2.794 -4.978) 5.953 2.076 ( -2.301 2.316 -1.645) 3.656 2.157 ( -0.486 -2.623 0.524) 2.718 2.211 ( 3.041 -0.845 7.012) 7.689 2.288 ( -3.083 0.861 -3.448) 4.704 2.333 ( -1.783 1.222 2.194) 3.080 2.343 ( -1.453 6.049 1.720) 6.455 2.363 ( 2.644 -1.100 4.094) 4.996 2.413 ( -5.005 0.029 1.065) 5.117 2.506 ( 4.566 0.062 -1.799) 4.908 2.542 ( -6.196 4.868 0.321) 7.886 2.602 ( -2.069 -1.203 1.107) 2.637 2.636 ( -0.792 0.159 -2.168) 2.314 2.648 ( -2.201 -2.178 0.338) 3.115 2.671 ( 3.354 0.292 0.004) 3.366 2.754 ( 7.779 6.589 3.787) 10.875 2.887 ( -0.856 -0.380 -2.634) 2.795 2.926 ( -7.371 -2.155 -6.836) 10.281 2.971 ( 4.562 -1.253 -5.112) 6.965 3.078 ( 0.265 -2.135 -3.680) 4.263 3.126 ( 0.793 0.616 2.985) 3.150 3.278 ( -0.948 -1.441 0.774) 1.890 3.319 ( -0.359 1.879 0.238) 1.928 3.406 ( -1.117 0.495 1.768) 2.149 3.432 ( 2.448 -3.402 3.429) 5.416 3.569 ( -0.438 -4.266 -0.014) 4.289 3.623 ( -1.508 -2.492 0.905) 3.050 3.635 ( -2.914 -2.739 -2.586) 4.762 4.014 ( -0.251 -1.036 0.380) 1.131 4.098 ( -2.620 -3.290 -0.805) 4.283 4.345 ( 1.915 -7.905 0.777) 8.171 4.460 ( -0.276 -9.536 -0.584) 9.558 4.572 ( -1.187 -3.099 0.139) 3.322 4.662 ( -1.417 -3.822 -0.383) 4.094 5.005 ( 1.048 1.891 0.531) 2.226 5.015 ( -1.819 2.251 0.736) 2.986 5.610 ( -0.758 5.530 2.711) 6.205 5.651 ( 2.731 3.711 6.242) 7.758 5.806 ( 0.850 7.376 -2.009) 7.692 6.082 ( 0.506 0.836 -2.009) 2.234 6.204 ( -7.727 3.553 2.983) 9.013 6.511 ( -6.838 0.029 -6.274) 9.280 6.810 ( 3.117 -2.065 -0.766) 3.817 6.978 ( -8.965 -7.099 -0.296) 11.439 7.153 ( 3.959 -13.702 5.223) 15.188 7.436 ( -0.300 -12.453 -0.386) 12.462 7.982 ( 6.277 8.867 1.296) 10.941 8.098 ( 1.480 5.503 -0.003) 5.699 8.284 ( 2.079 3.070 1.913) 4.172 8.492 ( 3.943 -1.394 -5.274) 6.731 11.913 ( 0.632 0.828 -0.260) 1.073 11.943 ( -0.388 -0.116 -0.705) 0.813 13.338 ( 1.043 -0.062 3.945) 4.081 13.402 ( 2.376 -4.001 3.246) 5.673 13.766 ( -0.908 -0.384 -2.604) 2.784 13.855 ( 2.403 -3.220 -5.020) 6.430 14.096 ( -0.434 -0.994 4.624) 4.749 14.299 ( 3.402 -6.849 -5.795) 9.595 15.293 ( 1.189 4.878 6.689) 8.364 15.398 ( 1.399 1.721 6.995) 7.338 15.756 ( -2.463 6.995 -4.789) 8.828 15.979 ( -6.051 3.886 -8.960) 11.489 17.525 ( -0.938 0.680 0.739) 1.374 17.578 ( -0.805 -1.767 -1.647) 2.546 18.024 ( 1.907 1.380 1.901) 3.026 18.137 ( -1.488 -1.133 0.502) 1.936 ======================= Grid point 67 (35/60) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -10.343 5.694 -2.859) 12.148 1.031 ( -3.744 6.907 -0.012) 7.857 1.066 ( 6.074 3.970 2.197) 7.582 1.129 ( -3.970 2.558 0.823) 4.794 1.235 ( 3.973 2.237 2.014) 4.985 1.309 ( 2.477 1.888 -5.689) 6.485 1.342 ( 1.511 4.349 -0.160) 4.607 1.387 ( 1.279 1.718 -0.141) 2.146 1.450 ( 4.100 3.939 -3.148) 6.499 1.502 ( 1.970 1.636 -4.291) 4.997 1.588 ( 4.109 2.052 1.521) 4.839 1.635 ( -3.204 2.143 -2.061) 4.371 1.698 ( -3.424 0.857 0.621) 3.584 1.750 ( -5.981 -0.964 5.329) 8.069 1.778 ( 1.759 1.800 5.959) 6.469 1.844 ( -0.882 1.080 1.170) 1.820 1.910 ( 4.400 -0.836 -5.418) 7.029 1.967 ( -3.801 1.983 0.381) 4.304 2.027 ( 1.891 -2.233 -0.182) 2.931 2.070 ( 1.027 -0.592 -1.812) 2.165 2.136 ( -3.282 -2.011 -1.519) 4.138 2.180 ( -6.890 -2.212 -4.727) 8.644 2.233 ( -1.253 -1.579 2.432) 3.159 2.270 ( -3.769 3.620 1.768) 5.517 2.306 ( -1.308 -0.047 4.650) 4.831 2.387 ( 0.969 2.603 3.467) 4.443 2.402 ( 2.626 3.558 4.168) 6.077 2.481 ( -1.407 3.319 2.269) 4.259 2.558 ( -2.388 -2.629 -1.166) 3.738 2.601 ( -0.263 -1.323 -1.439) 1.972 2.625 ( 6.429 -0.639 -1.182) 6.568 2.644 ( 0.395 -2.192 -0.139) 2.232 2.724 ( 1.113 -2.892 -0.193) 3.105 2.819 ( 0.359 1.938 -4.545) 4.954 2.881 ( 2.383 1.946 -3.488) 4.651 2.944 ( 7.537 1.790 2.803) 8.239 3.039 ( 3.335 -3.432 -4.355) 6.470 3.054 ( -1.162 -0.007 -4.782) 4.921 3.186 ( 3.326 1.293 2.108) 4.144 3.245 ( -3.313 2.793 -1.902) 4.732 3.313 ( 0.180 1.144 1.938) 2.257 3.403 ( -0.344 -1.477 2.043) 2.545 3.466 ( 1.406 -2.727 4.155) 5.165 3.528 ( -3.762 -3.981 -0.456) 5.496 3.574 ( -2.111 -1.898 0.752) 2.936 3.630 ( 1.894 -4.478 -2.614) 5.521 4.014 ( -0.652 -0.651 0.400) 1.004 4.057 ( -0.106 -2.770 -0.635) 2.844 4.377 ( 0.781 -8.622 1.513) 8.789 4.421 ( -3.323 -9.694 -1.795) 10.404 4.591 ( 2.596 -1.655 1.644) 3.490 4.657 ( 0.737 -2.884 -1.664) 3.410 4.993 ( -0.163 1.894 0.656) 2.011 5.049 ( 2.835 1.101 0.705) 3.122 5.632 ( 5.392 4.390 4.052) 8.048 5.703 ( 2.132 0.659 1.826) 2.883 5.867 ( 1.639 8.516 3.241) 9.258 6.065 ( -0.408 4.211 -5.158) 6.671 6.131 ( -0.085 2.511 4.210) 4.902 6.479 ( 3.916 -1.874 -6.610) 7.908 6.843 ( -3.709 -3.755 -1.179) 5.408 6.946 ( 10.300 -5.010 0.087) 11.454 7.229 ( 2.876 -12.903 7.680) 15.289 7.384 ( -4.776 -12.437 -2.886) 13.631 7.996 ( -5.054 9.727 1.612) 11.079 8.104 ( -0.975 5.113 -0.578) 5.237 8.262 ( -4.473 2.871 2.059) 5.700 8.502 ( -2.230 -2.879 -5.150) 6.307 11.923 ( 0.191 0.442 -0.050) 0.484 11.933 ( -0.371 0.150 -0.922) 1.005 13.362 ( 0.694 -1.208 4.763) 4.963 13.394 ( -3.173 -3.089 2.686) 5.180 13.756 ( -0.627 -0.525 -2.627) 2.751 13.859 ( -1.061 -4.047 -5.785) 7.139 14.058 ( -3.889 0.657 4.170) 5.740 14.326 ( 0.304 -7.624 -4.844) 9.038 15.310 ( -0.355 4.857 7.194) 8.687 15.412 ( -1.251 2.030 7.486) 7.856 15.748 ( 2.369 6.721 -4.867) 8.630 15.944 ( 3.980 5.273 -9.833) 11.846 17.518 ( 0.207 0.945 0.654) 1.168 17.573 ( 0.475 -1.377 -1.583) 2.152 18.051 ( 0.180 0.422 2.817) 2.854 18.102 ( -1.737 -0.103 -0.360) 1.777 ======================= Grid point 68 (36/60) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -7.649 10.486 -0.060) 12.979 0.927 ( -7.090 9.573 3.762) 12.493 1.058 ( -2.091 1.233 3.129) 3.960 1.177 ( 4.267 0.449 2.360) 4.897 1.267 ( 0.283 0.915 0.940) 1.342 1.343 ( -0.951 4.940 -3.637) 6.208 1.372 ( 2.880 0.222 -2.888) 4.085 1.423 ( 1.293 1.308 -0.733) 1.980 1.465 ( -2.594 5.861 1.425) 6.566 1.516 ( 0.237 3.438 -1.620) 3.807 1.607 ( 0.534 5.245 0.114) 5.273 1.633 ( -4.300 1.212 1.224) 4.632 1.661 ( 0.584 -0.502 -1.100) 1.342 1.710 ( 3.877 -0.325 -1.086) 4.039 1.774 ( -3.119 2.248 1.555) 4.147 1.826 ( 0.114 -3.168 0.644) 3.235 1.865 ( -5.137 7.786 -2.121) 9.566 1.984 ( 3.359 -1.955 -4.919) 6.270 2.031 ( -1.086 1.652 -2.735) 3.374 2.052 ( -1.499 -3.583 -1.066) 4.028 2.081 ( -2.107 -2.296 -0.555) 3.166 2.131 ( 2.718 2.303 4.109) 5.438 2.207 ( -0.781 2.286 3.425) 4.191 2.252 ( 0.716 -1.953 1.306) 2.456 2.291 ( -0.200 0.371 1.674) 1.726 2.407 ( 0.724 0.741 2.600) 2.799 2.442 ( -2.295 0.040 -0.251) 2.309 2.476 ( 2.306 3.303 -0.224) 4.034 2.519 ( -0.740 -0.821 0.984) 1.480 2.631 ( 0.628 -0.864 -2.712) 2.915 2.646 ( 4.104 -2.499 1.982) 5.198 2.695 ( -3.466 -4.161 0.247) 5.421 2.749 ( 6.098 -1.861 0.615) 6.405 2.883 ( 3.203 -1.574 -2.165) 4.174 2.966 ( 5.725 0.446 -3.205) 6.576 2.993 ( -3.474 1.609 -7.392) 8.325 3.045 ( 2.334 2.898 0.583) 3.766 3.097 ( 3.768 -3.451 -4.511) 6.816 3.186 ( -0.891 0.994 -3.108) 3.383 3.242 ( 1.683 1.828 2.341) 3.414 3.293 ( -2.676 2.864 2.466) 4.631 3.373 ( -3.538 -4.314 2.798) 6.241 3.489 ( 1.346 1.528 3.222) 3.812 3.511 ( 0.767 -2.680 6.779) 7.330 3.555 ( 0.698 -2.873 -1.650) 3.386 3.680 ( 3.642 -2.667 -3.032) 5.438 4.006 ( 0.282 -1.648 -0.125) 1.677 4.081 ( 1.629 -3.736 1.949) 4.517 4.336 ( -4.935 -7.774 -1.207) 9.286 4.373 ( -1.401 -8.548 0.195) 8.664 4.650 ( 3.059 -0.899 1.817) 3.670 4.685 ( 2.268 -3.354 -1.777) 4.421 5.016 ( 2.837 0.134 -0.344) 2.861 5.102 ( 2.627 -0.335 -0.043) 2.649 5.762 ( -1.528 5.786 1.283) 6.121 5.815 ( 8.730 4.648 1.372) 9.985 5.842 ( 7.770 4.257 4.295) 9.846 6.062 ( 0.070 1.846 -6.133) 6.405 6.247 ( 9.603 2.690 8.873) 13.349 6.571 ( 5.678 -5.489 -6.978) 10.538 6.810 ( -0.577 -4.424 -2.617) 5.173 7.182 ( 12.414 -3.163 2.650) 13.082 7.264 ( -5.966 -11.831 0.630) 13.265 7.303 ( 4.846 -5.945 3.259) 8.333 7.835 ( -11.638 10.345 1.642) 15.657 8.028 ( -7.273 3.374 -1.727) 8.202 8.141 ( -8.225 1.259 2.707) 8.750 8.401 ( -7.504 -5.146 -5.123) 10.442 11.918 ( -0.064 0.386 -0.990) 1.065 11.934 ( 0.297 0.143 0.212) 0.392 13.285 ( -7.577 -2.970 2.401) 8.485 13.384 ( -0.718 -3.570 4.768) 5.999 13.689 ( -5.803 -0.870 -4.292) 7.270 13.849 ( 1.544 -2.064 -3.460) 4.315 13.980 ( -4.686 2.594 2.953) 6.116 14.299 ( -2.571 -8.500 -4.193) 9.821 15.302 ( -1.263 4.285 6.385) 7.792 15.376 ( -2.979 3.436 4.926) 6.704 15.826 ( 5.904 7.125 -1.155) 9.325 16.084 ( 11.676 5.576 -10.967) 16.962 17.534 ( 1.400 0.999 0.818) 1.905 17.588 ( 1.212 -0.857 -1.159) 1.883 18.026 ( -2.429 0.430 0.496) 2.516 18.085 ( -0.873 0.104 1.629) 1.852 ======================= Grid point 69 (37/60) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.757 13.622 5.247) 14.617 0.807 ( -6.088 10.592 8.878) 15.102 1.077 ( 3.275 1.516 -1.469) 3.896 1.213 ( -2.387 2.873 0.719) 3.804 1.235 ( -1.045 8.408 1.285) 8.570 1.317 ( -2.096 -0.163 -2.537) 3.295 1.358 ( -3.352 1.957 1.980) 4.357 1.412 ( 0.292 2.072 -3.823) 4.358 1.451 ( 0.157 5.464 3.768) 6.639 1.537 ( -0.175 3.253 0.814) 3.358 1.585 ( 2.056 -0.385 -1.666) 2.674 1.604 ( -5.100 2.907 -3.606) 6.889 1.646 ( -2.781 0.046 3.161) 4.210 1.674 ( -0.402 1.006 1.340) 1.723 1.733 ( 0.089 1.788 1.659) 2.441 1.848 ( -0.201 -0.991 2.994) 3.160 1.867 ( 2.522 6.075 -3.793) 7.593 2.021 ( 0.489 -1.853 -1.043) 2.182 2.028 ( 0.702 1.358 -2.680) 3.085 2.053 ( 0.929 -2.734 1.784) 3.394 2.082 ( 2.092 -7.762 -4.031) 8.993 2.171 ( 2.455 3.984 3.942) 6.119 2.228 ( 0.612 1.694 3.651) 4.071 2.261 ( 0.910 2.186 -0.016) 2.367 2.319 ( 2.628 -0.594 -5.341) 5.982 2.405 ( 0.947 -0.985 0.553) 1.474 2.442 ( -0.370 1.059 -3.645) 3.813 2.490 ( -1.323 4.211 -2.683) 5.166 2.522 ( 3.478 -1.513 1.565) 4.103 2.622 ( -2.852 -2.824 -0.413) 4.035 2.640 ( -0.599 -4.322 -0.694) 4.418 2.745 ( -0.760 2.193 -1.954) 3.034 2.753 ( -0.527 -2.099 -1.582) 2.681 2.934 ( 4.288 -2.094 -0.740) 4.829 2.954 ( -0.952 -5.706 -0.872) 5.850 3.020 ( 0.287 -1.455 -2.743) 3.118 3.083 ( 3.273 3.845 0.022) 5.050 3.139 ( -0.147 0.828 -1.373) 1.610 3.192 ( 0.325 -1.306 -0.533) 1.448 3.245 ( -1.296 0.615 3.695) 3.963 3.273 ( -1.383 -1.537 5.993) 6.339 3.332 ( 1.966 -0.518 -1.290) 2.407 3.496 ( -1.068 -0.913 5.268) 5.452 3.555 ( 3.471 3.368 0.521) 4.865 3.589 ( 1.321 -1.883 1.870) 2.964 3.746 ( 3.578 -1.917 -6.243) 7.446 4.022 ( 1.344 -2.719 0.211) 3.040 4.100 ( -0.229 -6.549 2.279) 6.938 4.260 ( -2.378 -6.034 0.028) 6.485 4.350 ( -0.593 -8.201 -0.416) 8.233 4.699 ( 1.759 -0.739 1.761) 2.596 4.711 ( 0.359 -3.563 -0.614) 3.634 5.098 ( 5.465 -2.307 -0.298) 5.940 5.146 ( 2.236 -0.902 -0.456) 2.454 5.660 ( -5.169 4.576 -1.832) 7.142 5.938 ( -2.552 -1.535 0.531) 3.025 6.029 ( 9.363 7.752 2.285) 12.369 6.160 ( 12.137 8.134 -4.868) 15.400 6.446 ( 10.528 -0.410 8.771) 13.709 6.632 ( -1.378 -10.855 3.401) 11.458 6.800 ( 3.349 0.533 -5.466) 6.432 7.130 ( -7.352 -6.042 -0.984) 9.567 7.349 ( 4.947 0.253 4.533) 6.715 7.491 ( 9.751 -4.156 -1.089) 10.655 7.623 ( -7.927 7.572 4.785) 11.962 7.840 ( -12.055 0.288 -1.792) 12.191 7.993 ( -6.820 0.158 1.851) 7.069 8.238 ( -8.280 -6.144 -5.267) 11.578 11.929 ( 1.229 0.291 -0.555) 1.380 11.940 ( 0.327 0.082 0.166) 0.375 13.146 ( -6.500 -1.538 2.188) 7.029 13.303 ( -7.939 -7.604 -0.518) 11.005 13.623 ( 0.015 4.623 4.364) 6.358 13.892 ( 1.897 0.361 -1.808) 2.645 13.908 ( -1.573 1.683 -0.343) 2.329 14.224 ( -4.702 -9.296 -4.917) 11.520 15.278 ( -2.183 4.257 4.265) 6.409 15.335 ( -1.642 3.828 3.657) 5.543 15.932 ( 4.569 7.721 2.439) 9.297 16.309 ( 12.638 1.858 -13.674) 18.712 17.567 ( 1.564 0.503 0.718) 1.793 17.622 ( 2.810 -0.604 0.999) 3.042 17.988 ( -1.116 1.359 -0.685) 1.887 18.055 ( -2.597 0.352 1.455) 2.998 ======================= Grid point 70 (38/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -0.119 12.231 5.978) 13.614 0.968 ( -0.465 10.191 7.564) 12.700 1.089 ( 1.146 -7.096 -0.380) 7.198 1.146 ( 0.094 -7.649 5.399) 9.363 1.290 ( -2.628 2.755 -3.698) 5.308 1.311 ( 0.311 1.387 -0.157) 1.430 1.417 ( 2.757 2.157 -1.140) 3.682 1.461 ( -1.257 2.479 -1.554) 3.184 1.473 ( 0.260 -2.430 1.789) 3.029 1.506 ( -0.197 2.051 -0.344) 2.089 1.571 ( 0.142 1.860 1.714) 2.533 1.610 ( 0.708 -0.605 -0.841) 1.255 1.668 ( -4.193 6.666 -2.534) 8.272 1.786 ( -3.419 1.229 -1.849) 4.077 1.803 ( -1.417 -0.643 0.161) 1.564 1.820 ( -2.216 -3.771 1.373) 4.584 1.904 ( 2.145 -0.323 -2.512) 3.319 1.947 ( -1.891 -2.477 -4.215) 5.242 2.029 ( 2.458 7.791 7.405) 11.026 2.070 ( 3.881 0.534 6.510) 7.598 2.099 ( 3.238 1.029 4.409) 5.566 2.228 ( -1.512 -0.613 0.212) 1.645 2.253 ( -1.389 -1.064 -0.427) 1.801 2.332 ( 0.391 -2.283 -3.483) 4.183 2.369 ( 2.675 -3.006 -2.603) 4.792 2.395 ( 5.275 -2.143 -4.328) 7.152 2.417 ( 2.144 3.800 -1.690) 4.679 2.513 ( -1.094 2.502 -0.041) 2.731 2.523 ( 6.338 -5.789 0.659) 8.609 2.550 ( -0.407 -1.907 -0.121) 1.954 2.667 ( -5.553 6.313 -1.288) 8.506 2.697 ( 0.744 6.337 -0.997) 6.458 2.792 ( -2.491 -2.637 -2.318) 4.305 2.819 ( -1.235 -5.404 -1.522) 5.748 2.908 ( -7.294 0.761 -6.073) 9.521 2.938 ( 0.082 -4.347 -3.812) 5.783 3.121 ( 1.067 0.981 1.803) 2.314 3.140 ( -1.454 0.502 2.242) 2.719 3.226 ( -1.722 1.481 5.000) 5.492 3.250 ( 2.261 2.424 -1.752) 3.750 3.304 ( 4.871 -1.293 3.611) 6.200 3.339 ( 1.296 -2.195 -1.771) 3.104 3.491 ( -1.118 0.112 3.053) 3.254 3.523 ( -2.952 -2.961 2.843) 5.057 3.673 ( 1.228 3.328 -0.998) 3.685 3.726 ( 1.177 -2.379 -3.837) 4.665 3.972 ( -0.104 -1.835 2.061) 2.761 3.993 ( 0.408 -3.852 2.229) 4.469 4.158 ( 0.129 -1.333 -0.966) 1.651 4.201 ( 0.318 -5.592 -1.364) 5.765 4.677 ( 0.153 -0.372 0.087) 0.411 4.691 ( 0.091 -1.539 -0.080) 1.544 5.145 ( 1.743 -0.188 1.738) 2.469 5.157 ( 0.946 -1.195 1.761) 2.328 5.683 ( -3.809 5.367 -3.464) 7.437 5.772 ( -5.575 -3.397 -6.337) 9.099 6.263 ( -3.118 8.776 5.627) 10.882 6.432 ( -1.816 -8.069 6.570) 10.563 6.511 ( 3.989 8.554 -2.066) 9.662 6.626 ( 5.631 -2.771 -1.658) 6.491 6.916 ( 4.530 1.910 0.604) 4.953 6.973 ( 3.101 -3.240 0.501) 4.512 7.351 ( -6.286 1.620 -1.473) 6.656 7.421 ( -9.155 -5.543 -2.916) 11.092 7.695 ( 0.889 1.999 6.130) 6.508 7.701 ( 3.297 1.179 5.407) 6.442 7.964 ( 2.248 1.972 -1.630) 3.406 8.032 ( 1.049 -4.696 -3.648) 6.038 11.941 ( -0.200 0.487 0.138) 0.544 11.950 ( 0.338 -0.426 -0.225) 0.589 13.082 ( 0.007 0.844 0.698) 1.095 13.120 ( -0.127 -2.929 -0.563) 2.985 13.756 ( -0.266 6.739 2.378) 7.151 13.912 ( 1.484 -7.751 -2.975) 8.434 13.938 ( 1.351 1.628 -0.263) 2.132 13.972 ( -1.897 -1.950 -1.137) 2.948 15.327 ( -1.368 3.415 4.252) 5.622 15.361 ( -0.900 0.223 3.903) 4.012 16.153 ( 0.571 9.132 -2.041) 9.374 16.328 ( 1.220 -8.125 -8.141) 11.566 17.595 ( 0.005 0.942 1.382) 1.673 17.624 ( 0.082 -1.984 1.126) 2.283 18.024 ( -0.407 0.724 -0.464) 0.951 18.027 ( 1.043 0.410 -0.454) 1.209 ======================= Grid point 71 (39/60) ======================= q-point: ( 0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.645 11.402 7.947) 13.913 0.998 ( 1.371 3.612 7.347) 8.301 1.120 ( 2.041 -1.865 0.079) 2.766 1.169 ( 1.965 -5.081 4.548) 7.096 1.245 ( -1.019 2.353 -2.595) 3.648 1.306 ( -0.208 -1.295 -0.004) 1.311 1.426 ( -0.699 4.702 -2.294) 5.278 1.470 ( 1.035 0.542 -1.638) 2.012 1.487 ( -1.633 3.611 -3.818) 5.503 1.539 ( 3.881 2.460 0.862) 4.675 1.571 ( -1.587 0.139 -1.379) 2.107 1.606 ( 1.217 5.979 3.191) 6.885 1.637 ( 1.120 -3.250 -1.135) 3.620 1.725 ( -2.108 1.445 -1.950) 3.215 1.765 ( -2.534 -3.573 1.101) 4.517 1.783 ( -1.062 -7.465 0.453) 7.553 1.925 ( 0.014 1.874 -2.013) 2.751 1.964 ( 2.912 0.254 -2.540) 3.872 2.066 ( 0.651 4.378 1.878) 4.808 2.128 ( -0.085 2.014 2.915) 3.544 2.159 ( -0.869 4.541 1.014) 4.733 2.179 ( 1.451 -0.347 5.765) 5.955 2.232 ( -1.161 -4.021 -1.429) 4.423 2.320 ( 0.570 -6.791 -5.055) 8.485 2.415 ( 2.566 2.576 0.059) 3.636 2.457 ( -0.659 -0.037 -2.627) 2.709 2.485 ( 3.747 4.691 2.008) 6.331 2.492 ( -1.065 3.774 -2.232) 4.512 2.521 ( -2.196 0.685 2.743) 3.580 2.570 ( 0.737 5.752 0.712) 5.842 2.629 ( -4.320 -3.637 -1.147) 5.762 2.694 ( 2.591 -1.002 -0.644) 2.852 2.737 ( -1.255 -4.859 -0.269) 5.025 2.806 ( -0.210 -4.524 -0.362) 4.544 2.847 ( 2.700 2.144 -4.811) 5.919 2.926 ( -0.855 -3.085 -3.203) 4.529 3.076 ( -3.629 1.184 0.308) 3.830 3.115 ( -2.679 -1.840 -0.909) 3.375 3.191 ( -3.468 3.794 -0.404) 5.156 3.242 ( -1.628 -0.601 -3.364) 3.786 3.364 ( 0.850 0.520 0.393) 1.071 3.407 ( 4.123 -1.872 2.896) 5.375 3.454 ( -4.001 -0.610 3.349) 5.253 3.474 ( -0.937 -2.420 4.083) 4.838 3.661 ( -1.516 3.481 -0.457) 3.824 3.716 ( -1.760 -2.025 -2.437) 3.625 3.985 ( 1.027 -1.655 1.734) 2.608 4.009 ( 0.858 -3.868 2.005) 4.440 4.179 ( 2.180 -1.823 -0.614) 2.907 4.215 ( 1.485 -5.342 -1.092) 5.651 4.666 ( -1.742 -0.484 -0.149) 1.814 4.682 ( -1.148 -2.148 -0.576) 2.502 5.132 ( -3.508 0.132 0.462) 3.540 5.137 ( -2.851 -0.445 0.628) 2.953 5.634 ( -1.125 4.382 -1.375) 4.729 5.694 ( -1.249 -1.735 -2.616) 3.378 6.154 ( -7.659 9.746 3.426) 12.860 6.318 ( -10.753 -5.063 2.851) 12.222 6.519 ( -0.782 6.528 1.162) 6.677 6.660 ( -1.193 -6.038 0.109) 6.156 6.902 ( -6.695 2.263 -3.275) 7.789 6.967 ( -5.463 -4.598 -1.210) 7.242 7.266 ( -4.125 -1.641 1.719) 4.760 7.277 ( -3.036 -3.027 1.193) 4.450 7.764 ( 8.080 6.858 2.968) 11.005 7.861 ( 9.977 -2.853 3.234) 10.869 8.081 ( 9.083 2.349 -1.086) 9.445 8.141 ( 9.718 -3.596 -3.451) 10.922 11.932 ( -0.582 0.896 -0.070) 1.070 11.948 ( -0.436 -0.654 -0.046) 0.787 13.141 ( 5.758 0.907 0.812) 5.886 13.182 ( 5.751 -2.984 -0.624) 6.509 13.736 ( -1.178 3.956 1.453) 4.376 13.845 ( -4.499 -6.455 -2.379) 8.220 14.000 ( 4.528 2.261 1.061) 5.171 14.043 ( 5.599 -2.164 -2.492) 6.499 15.321 ( 0.126 3.729 4.814) 6.091 15.361 ( 0.342 -0.162 4.431) 4.447 16.110 ( -4.589 8.825 -2.788) 10.330 16.272 ( -5.656 -7.149 -7.817) 12.009 17.583 ( -1.367 0.673 1.407) 2.074 17.607 ( -1.729 -1.800 0.350) 2.520 18.021 ( 0.543 2.528 -0.400) 2.617 18.065 ( 2.238 -1.870 0.180) 2.922 ======================= Grid point 72 (40/60) ======================= q-point: ( 0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 4.780 7.860 6.745) 11.407 1.023 ( 1.679 -0.282 6.615) 6.830 1.178 ( 1.481 0.014 2.084) 2.557 1.228 ( 2.895 -3.196 2.665) 5.069 1.265 ( 5.415 6.544 2.183) 8.770 1.321 ( 1.247 0.717 -0.174) 1.448 1.381 ( -4.159 3.705 -5.170) 7.600 1.408 ( -2.962 5.039 -4.571) 7.421 1.462 ( -4.559 -2.394 -7.246) 8.889 1.521 ( 0.576 -4.605 -4.583) 6.522 1.607 ( -2.068 5.473 1.900) 6.151 1.637 ( 4.062 3.222 0.045) 5.185 1.662 ( 0.102 -0.333 1.525) 1.564 1.729 ( 3.055 -1.886 1.888) 4.056 1.740 ( 0.647 -2.259 2.505) 3.435 1.803 ( 2.030 -6.102 0.538) 6.453 1.923 ( -1.621 4.868 -1.392) 5.316 1.956 ( -0.555 6.238 -3.649) 7.248 2.023 ( -4.423 -3.340 -3.200) 6.400 2.099 ( -1.037 -4.758 -0.655) 4.913 2.194 ( 1.398 3.393 0.238) 3.678 2.221 ( 4.039 -0.095 5.450) 6.784 2.249 ( -0.107 2.007 2.981) 3.595 2.311 ( -0.328 -0.388 -3.300) 3.339 2.391 ( -4.337 0.805 0.171) 4.415 2.432 ( -1.784 -6.439 1.956) 6.962 2.464 ( 1.202 1.267 2.167) 2.783 2.494 ( -1.922 0.037 0.484) 1.982 2.546 ( 0.594 -1.017 1.759) 2.116 2.558 ( 1.359 2.156 -0.384) 2.578 2.647 ( -1.611 1.131 -0.126) 1.973 2.678 ( -3.053 -0.265 0.004) 3.064 2.718 ( 5.693 6.583 5.038) 10.056 2.849 ( -3.189 4.485 -6.041) 8.172 2.894 ( 3.435 -5.352 0.420) 6.374 2.928 ( 2.928 1.167 -7.875) 8.482 2.991 ( -5.133 -1.251 -2.711) 5.938 3.081 ( 0.614 -6.709 -3.943) 7.806 3.116 ( -2.429 6.201 -0.708) 6.697 3.225 ( 0.356 -4.694 -0.342) 4.720 3.341 ( -3.375 0.494 3.117) 4.620 3.357 ( -5.723 0.151 4.484) 7.272 3.448 ( 0.876 1.315 1.031) 1.887 3.499 ( 1.187 -4.010 0.111) 4.184 3.637 ( -1.331 1.876 0.495) 2.353 3.669 ( -2.592 -1.077 -1.347) 3.113 4.000 ( 0.110 -0.826 0.805) 1.158 4.025 ( 0.676 -3.531 1.671) 3.964 4.222 ( 1.887 -1.918 -0.454) 2.728 4.259 ( 3.098 -5.614 0.081) 6.412 4.603 ( -4.540 -0.119 -0.824) 4.616 4.635 ( -3.614 -3.163 -0.952) 4.896 5.059 ( -2.863 1.448 -0.732) 3.291 5.077 ( -2.783 -0.264 -0.558) 2.850 5.649 ( 2.602 4.668 2.951) 6.105 5.709 ( 1.401 -1.323 3.580) 4.066 6.021 ( -6.295 8.664 0.137) 10.711 6.123 ( -8.056 -1.100 -1.475) 8.263 6.446 ( -7.696 4.901 1.680) 9.277 6.601 ( -5.888 -10.269 -1.341) 11.913 6.758 ( -3.980 4.542 -3.158) 6.815 6.882 ( -2.631 -8.354 0.028) 8.759 7.155 ( -7.287 2.052 2.104) 7.857 7.242 ( -2.308 -6.624 1.753) 7.231 7.960 ( 10.774 6.551 1.882) 12.749 8.045 ( 8.652 -1.909 2.478) 9.200 8.252 ( 8.433 3.704 -1.384) 9.314 8.324 ( 9.167 -3.401 -3.388) 10.348 11.926 ( 0.000 0.971 -0.163) 0.984 11.941 ( -0.168 -0.573 -0.036) 0.598 13.263 ( 6.013 0.071 0.827) 6.070 13.286 ( 4.725 -1.725 -0.319) 5.040 13.738 ( 1.255 0.087 0.134) 1.265 13.778 ( -2.091 -3.493 -1.795) 4.449 14.080 ( 3.470 2.438 1.177) 4.401 14.137 ( 4.501 -3.192 -2.481) 6.050 15.343 ( 1.402 3.675 6.143) 7.294 15.384 ( 1.297 -0.260 6.024) 6.168 15.996 ( -6.377 7.701 -4.693) 11.046 16.124 ( -8.191 -4.782 -7.885) 12.334 17.557 ( -1.449 0.533 0.986) 1.832 17.573 ( -1.644 -1.245 -0.105) 2.065 18.039 ( 1.172 3.011 0.202) 3.237 18.098 ( 1.041 -2.792 0.480) 3.018 ======================= Grid point 73 (41/60) ======================= q-point: ( 0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 4.285 4.386 4.539) 7.629 1.075 ( -0.224 -0.455 2.935) 2.979 1.184 ( 1.392 5.098 -1.413) 5.470 1.228 ( -3.509 2.144 -3.233) 5.231 1.311 ( 2.093 -1.159 1.300) 2.723 1.327 ( -2.850 -0.656 -6.147) 6.807 1.343 ( -3.273 3.861 -3.809) 6.335 1.374 ( -1.281 -0.430 -2.389) 2.744 1.437 ( 8.559 5.421 3.422) 10.693 1.542 ( -0.642 -1.374 2.656) 3.058 1.569 ( 0.434 2.913 0.156) 2.950 1.648 ( 0.516 -1.885 -3.307) 3.841 1.727 ( 3.553 2.319 4.934) 6.507 1.766 ( 1.128 0.058 -0.914) 1.453 1.785 ( -0.543 -2.025 1.846) 2.794 1.822 ( 3.101 -2.573 2.159) 4.571 1.911 ( 1.118 1.225 -0.252) 1.678 1.937 ( -0.971 -0.060 -1.668) 1.931 1.983 ( -0.064 1.424 -2.534) 2.908 2.071 ( -1.658 -3.678 -0.695) 4.094 2.159 ( -4.816 2.889 -2.303) 6.070 2.222 ( 0.149 1.825 2.686) 3.250 2.246 ( -4.250 -3.547 -1.176) 5.659 2.297 ( -4.740 -3.742 5.088) 7.896 2.381 ( 2.909 2.602 1.003) 4.029 2.425 ( 4.536 -0.872 2.077) 5.064 2.452 ( -1.010 3.021 2.603) 4.114 2.511 ( -4.009 3.820 0.970) 5.622 2.541 ( 2.541 -3.068 0.413) 4.005 2.594 ( -1.640 -2.638 0.717) 3.188 2.616 ( 0.670 -0.865 -0.841) 1.380 2.627 ( -0.579 -0.227 -0.049) 0.624 2.722 ( -1.921 5.279 -5.479) 7.847 2.833 ( -2.244 -4.033 -6.145) 7.685 2.898 ( -1.647 2.472 -2.868) 4.129 2.939 ( 1.373 -0.875 -3.514) 3.873 2.973 ( 3.044 8.683 -2.484) 9.531 3.105 ( -0.615 1.179 -1.725) 2.178 3.124 ( 4.549 0.843 5.026) 6.831 3.224 ( -0.868 -4.538 3.543) 5.822 3.304 ( -0.826 -2.127 4.244) 4.818 3.319 ( 2.538 -5.209 2.265) 6.221 3.446 ( -1.034 2.040 -2.364) 3.289 3.492 ( -1.381 -3.372 -2.907) 4.662 3.600 ( -2.426 1.356 -0.325) 2.798 3.622 ( -2.694 -0.403 -0.293) 2.740 4.001 ( 0.309 0.076 0.740) 0.806 4.031 ( -0.560 -2.898 0.851) 3.072 4.242 ( 0.384 -1.662 -0.250) 1.724 4.293 ( -0.245 -6.367 -0.729) 6.413 4.543 ( -0.699 0.270 0.370) 0.835 4.583 ( -0.875 -3.537 0.059) 3.644 5.038 ( 0.052 1.189 -0.240) 1.214 5.044 ( -0.679 0.606 -0.139) 0.921 5.698 ( -0.276 2.628 3.680) 4.531 5.704 ( -1.004 1.836 4.108) 4.610 5.968 ( 1.684 7.118 -0.889) 7.368 6.063 ( 1.368 -2.655 -0.906) 3.121 6.303 ( -6.697 6.437 -0.584) 9.307 6.442 ( -7.890 -6.689 -4.358) 11.224 6.770 ( 2.722 0.603 0.812) 2.904 6.860 ( 0.041 -7.697 1.655) 7.873 7.042 ( -3.798 3.923 1.955) 5.799 7.195 ( -2.519 -10.761 -0.582) 11.067 8.120 ( 5.368 4.800 2.267) 7.550 8.164 ( 3.294 0.515 2.921) 4.432 8.358 ( 2.595 4.310 -2.088) 5.447 8.439 ( 3.155 -3.652 -3.815) 6.152 11.929 ( 0.250 0.717 -0.082) 0.763 11.939 ( -0.126 -0.313 -0.185) 0.385 13.332 ( 1.545 0.068 0.200) 1.560 13.351 ( 1.960 -1.637 0.411) 2.587 13.753 ( 0.168 -0.361 -0.823) 0.914 13.776 ( 1.297 -3.100 -0.901) 3.479 14.122 ( 0.763 2.980 1.018) 3.240 14.195 ( 1.941 -4.297 -2.263) 5.230 15.379 ( 1.116 3.474 7.614) 8.444 15.418 ( 1.034 -0.316 7.973) 8.046 15.893 ( -3.126 6.374 -6.921) 9.915 15.987 ( -4.373 -2.665 -8.759) 10.146 17.538 ( -0.590 0.666 0.748) 1.163 17.552 ( -0.526 -0.894 -0.074) 1.040 18.059 ( 0.802 2.159 0.778) 2.431 18.104 ( -0.387 -2.161 0.195) 2.204 ======================= Grid point 74 (42/60) ======================= q-point: (-0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -5.486 6.003 -0.134) 8.133 1.075 ( -0.172 -1.416 4.091) 4.332 1.160 ( -1.470 2.920 -1.734) 3.701 1.208 ( -2.538 2.955 0.576) 3.938 1.234 ( -4.119 1.130 -0.920) 4.369 1.316 ( -0.691 -1.958 -3.201) 3.816 1.370 ( 4.131 1.080 0.807) 4.346 1.403 ( 3.938 -1.935 0.504) 4.417 1.551 ( 0.988 5.698 -2.774) 6.414 1.565 ( 2.445 3.221 -1.754) 4.408 1.584 ( 2.236 0.162 1.484) 2.689 1.646 ( 0.008 -3.354 -0.808) 3.450 1.744 ( 0.418 3.365 2.666) 4.313 1.776 ( 0.961 3.273 0.138) 3.415 1.819 ( 1.164 1.846 1.299) 2.540 1.872 ( 0.364 -3.660 -3.237) 4.900 1.893 ( -2.835 3.251 2.951) 5.226 1.960 ( -1.679 -2.976 2.052) 3.986 1.972 ( 2.273 0.357 -2.217) 3.196 2.046 ( 0.038 -3.106 -2.929) 4.269 2.100 ( -1.270 -0.646 -1.797) 2.294 2.130 ( -4.955 -3.002 -3.326) 6.680 2.217 ( -0.072 1.449 5.044) 5.248 2.271 ( 1.040 -3.010 6.362) 7.115 2.383 ( -3.381 6.236 -0.668) 7.125 2.426 ( -1.643 2.100 3.103) 4.091 2.463 ( 0.686 0.143 4.044) 4.104 2.495 ( -2.414 -4.094 0.537) 4.782 2.555 ( -0.932 3.494 -0.353) 3.634 2.577 ( 1.290 0.752 -1.354) 2.015 2.604 ( 2.213 -1.918 -0.126) 2.931 2.649 ( 1.581 -2.780 0.003) 3.198 2.710 ( -2.265 6.734 -2.348) 7.483 2.836 ( 2.680 1.304 -6.325) 6.992 2.852 ( -0.185 -4.457 -4.815) 6.564 2.907 ( 1.439 -4.686 -7.115) 8.640 3.066 ( 2.442 4.666 2.585) 5.866 3.101 ( 0.863 1.828 -1.691) 2.636 3.223 ( 3.559 2.821 3.886) 5.977 3.250 ( 2.742 0.493 5.329) 6.013 3.314 ( 0.825 -3.027 3.235) 4.507 3.349 ( -1.183 -6.219 1.105) 6.426 3.425 ( 0.193 2.392 -2.842) 3.720 3.472 ( -0.110 -2.142 -2.261) 3.117 3.565 ( -2.149 0.214 -0.355) 2.188 3.572 ( -0.004 -0.931 -1.015) 1.377 4.005 ( -1.690 -0.371 0.363) 1.768 4.012 ( 0.139 -1.172 1.277) 1.738 4.246 ( 0.032 -3.823 0.215) 3.829 4.261 ( -2.055 -5.289 -1.249) 5.810 4.573 ( 2.938 0.062 0.813) 3.049 4.598 ( 1.814 -2.463 -0.625) 3.122 5.032 ( -0.166 1.868 -0.077) 1.877 5.057 ( 1.181 -0.487 -0.149) 1.286 5.710 ( 4.698 2.901 3.932) 6.779 5.729 ( 3.692 0.900 3.400) 5.099 6.013 ( -1.188 5.897 0.953) 6.090 6.087 ( -0.882 -1.530 -0.582) 1.859 6.227 ( 1.076 6.691 -1.489) 6.938 6.376 ( 2.009 -7.707 -5.077) 9.445 6.804 ( 0.446 1.981 1.322) 2.423 6.902 ( 4.775 -4.664 0.362) 6.685 7.053 ( 4.324 -0.891 3.995) 5.954 7.161 ( -0.321 -9.275 -1.976) 9.489 8.142 ( -3.772 4.559 2.904) 6.591 8.172 ( -2.736 1.246 3.177) 4.374 8.334 ( -4.688 4.315 -2.543) 6.860 8.424 ( -4.088 -4.563 -4.236) 7.448 11.931 ( -0.117 0.364 -0.042) 0.384 11.935 ( -0.204 -0.010 -0.225) 0.304 13.333 ( -1.821 -0.278 0.320) 1.869 13.355 ( -1.325 -1.917 0.278) 2.347 13.748 ( -1.062 0.450 -0.749) 1.376 13.783 ( -0.072 -2.965 -0.971) 3.121 14.110 ( -2.151 3.825 0.736) 4.449 14.200 ( -1.087 -5.402 -1.962) 5.849 15.394 ( -0.668 3.357 8.038) 8.737 15.432 ( -0.783 -0.390 8.387) 8.433 15.881 ( 2.993 6.289 -7.287) 10.080 15.971 ( 4.060 -2.178 -9.241) 10.326 17.538 ( 0.453 0.925 0.642) 1.213 17.554 ( 0.637 -0.770 0.011) 0.999 18.065 ( -0.470 1.054 1.117) 1.606 18.089 ( -0.962 -1.146 -0.118) 1.501 ======================= Grid point 75 (43/60) ======================= q-point: (-0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -4.094 9.893 4.068) 11.453 1.044 ( -3.996 -3.210 6.470) 8.254 1.089 ( -2.704 6.149 2.766) 7.265 1.181 ( -0.785 -2.346 2.366) 3.424 1.237 ( 2.910 0.657 0.160) 2.987 1.310 ( 0.038 -4.137 -1.220) 4.313 1.423 ( 0.078 1.832 0.213) 1.846 1.458 ( 2.824 0.581 -2.382) 3.740 1.504 ( -3.333 -0.229 -2.769) 4.339 1.546 ( -2.155 -2.936 -4.715) 5.958 1.655 ( 3.726 8.262 0.490) 9.076 1.688 ( -0.000 2.209 -0.938) 2.400 1.744 ( -3.130 -0.560 -2.201) 3.867 1.751 ( -1.677 4.602 2.110) 5.333 1.823 ( 0.888 3.100 -0.238) 3.234 1.851 ( 1.779 3.429 1.091) 4.014 1.875 ( -2.127 -6.472 -4.007) 7.904 1.921 ( 2.111 -0.924 -0.832) 2.450 1.993 ( -0.202 -0.174 -1.046) 1.080 2.062 ( 0.360 -1.145 -2.762) 3.012 2.084 ( -0.225 1.520 -1.480) 2.133 2.135 ( 4.435 -4.107 -0.204) 6.049 2.220 ( -3.820 3.256 5.624) 7.538 2.260 ( -1.430 -0.209 5.922) 6.096 2.338 ( 0.504 4.180 0.532) 4.244 2.407 ( -2.927 0.020 -0.144) 2.930 2.445 ( -1.626 -1.476 1.263) 2.533 2.486 ( -0.707 2.432 1.216) 2.809 2.550 ( 4.544 -5.032 2.630) 7.273 2.571 ( -2.788 -3.029 -0.991) 4.234 2.629 ( -1.468 5.224 1.031) 5.523 2.676 ( 2.692 3.588 -1.673) 4.788 2.722 ( 3.782 -2.377 -0.744) 4.529 2.817 ( 0.362 -7.968 -1.723) 8.160 2.940 ( 6.500 2.449 -4.630) 8.348 2.991 ( 4.046 -1.664 -4.291) 6.128 3.079 ( 0.983 1.774 -5.088) 5.478 3.114 ( 0.779 0.296 -0.491) 0.968 3.203 ( -3.636 2.282 -0.768) 4.361 3.266 ( -4.184 -2.392 -0.923) 4.907 3.311 ( 0.507 2.226 3.927) 4.542 3.357 ( -0.870 0.217 0.944) 1.302 3.458 ( 3.667 -1.733 5.079) 6.500 3.472 ( 0.884 -1.859 3.802) 4.324 3.563 ( 2.347 2.564 -1.335) 3.723 3.619 ( 3.977 -3.101 -2.926) 5.831 3.981 ( -0.694 -0.473 0.547) 1.002 4.007 ( -0.807 -3.068 1.699) 3.599 4.219 ( -2.229 -2.880 -0.455) 3.670 4.238 ( -1.348 -4.465 0.031) 4.664 4.631 ( 2.975 -0.744 -0.104) 3.068 4.635 ( 2.201 -1.379 -1.658) 3.082 5.039 ( 1.253 2.017 -0.329) 2.398 5.081 ( 1.547 -1.829 -0.335) 2.418 5.876 ( 6.307 4.391 5.556) 9.483 5.902 ( 13.356 1.992 5.820) 14.705 5.923 ( -1.848 5.311 -0.457) 5.642 6.033 ( -1.380 -4.456 -4.788) 6.685 6.327 ( 6.633 5.326 1.652) 8.666 6.443 ( 4.218 -6.362 -3.977) 8.607 6.816 ( 1.017 4.431 -2.160) 5.033 6.976 ( 1.560 -11.401 0.072) 11.507 7.192 ( 9.765 -0.108 2.150) 9.999 7.219 ( 7.118 -2.758 1.801) 7.843 8.002 ( -11.058 5.941 3.152) 12.942 8.060 ( -9.760 -0.300 2.957) 10.203 8.194 ( -9.286 3.845 -2.243) 10.298 8.290 ( -9.075 -5.647 -4.237) 11.498 11.927 ( 0.015 0.487 -0.294) 0.570 11.934 ( 0.120 -0.178 0.098) 0.236 13.257 ( -6.033 0.457 0.618) 6.081 13.302 ( -4.714 -3.861 -0.118) 6.095 13.719 ( -0.964 3.362 -0.299) 3.510 13.794 ( 1.668 -3.616 -1.364) 4.209 14.049 ( -4.164 4.283 0.440) 5.990 14.151 ( -3.768 -6.285 -1.703) 7.523 15.380 ( -1.672 3.184 6.765) 7.662 15.413 ( -2.026 0.059 6.457) 6.768 15.974 ( 7.047 7.407 -5.006) 11.384 16.092 ( 9.210 -3.770 -8.669) 13.198 17.555 ( 1.253 1.049 0.600) 1.741 17.573 ( 1.380 -0.774 0.243) 1.601 18.044 ( -1.562 1.368 0.259) 2.093 18.072 ( -1.030 -1.265 0.488) 1.703 ======================= Grid point 76 (44/60) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -0.325 11.310 5.788) 12.709 0.982 ( -2.341 4.232 8.620) 9.884 1.088 ( 0.364 0.175 -0.361) 0.541 1.160 ( -2.116 -4.756 4.695) 7.010 1.291 ( 1.928 -0.152 1.899) 2.710 1.310 ( 0.283 -1.757 -0.076) 1.781 1.396 ( -0.985 3.212 -1.843) 3.832 1.454 ( -0.464 1.807 -1.227) 2.233 1.503 ( -0.262 -4.291 -2.110) 4.789 1.531 ( 0.815 -2.376 -2.169) 3.319 1.595 ( -4.355 4.742 -2.550) 6.925 1.619 ( -3.624 1.138 -4.596) 5.963 1.744 ( -0.967 5.109 -0.376) 5.213 1.787 ( 0.296 5.604 0.927) 5.688 1.812 ( 1.789 4.330 3.958) 6.133 1.846 ( -0.598 -0.903 0.510) 1.197 1.912 ( -0.263 -2.554 -1.434) 2.941 1.975 ( 2.591 -3.771 3.910) 6.019 1.987 ( 1.299 2.126 -2.655) 3.641 2.023 ( -4.425 1.286 -2.536) 5.260 2.062 ( 0.695 2.833 3.328) 4.426 2.195 ( 2.703 -3.135 4.056) 5.795 2.265 ( 6.693 -0.056 -3.380) 7.498 2.269 ( 2.060 0.094 0.892) 2.247 2.347 ( -1.852 -3.435 -2.727) 4.761 2.355 ( -1.384 -3.612 -0.915) 3.975 2.386 ( 0.320 5.075 -0.334) 5.096 2.503 ( -3.024 -5.129 -1.564) 6.156 2.524 ( 0.737 2.209 1.621) 2.837 2.567 ( -1.237 -2.516 0.730) 2.897 2.666 ( 2.530 4.476 0.518) 5.167 2.708 ( 0.468 1.420 -0.309) 1.526 2.786 ( 3.898 -2.397 0.525) 4.606 2.851 ( 0.365 -5.053 -2.591) 5.690 2.960 ( -3.623 5.006 -5.899) 8.543 3.021 ( 0.781 5.066 -3.409) 6.156 3.112 ( -3.771 -5.943 -2.010) 7.320 3.122 ( 3.154 -3.710 -0.899) 4.952 3.173 ( 3.036 3.740 -0.313) 4.827 3.229 ( 2.189 -1.883 0.420) 2.918 3.288 ( -2.854 2.660 4.460) 5.926 3.331 ( -0.974 -0.736 1.002) 1.579 3.494 ( 0.509 0.709 4.872) 4.950 3.532 ( 1.851 -3.090 4.089) 5.449 3.622 ( 3.654 3.273 -1.561) 5.148 3.686 ( 3.448 -3.385 -3.903) 6.212 3.976 ( -0.247 -1.408 1.278) 1.918 3.993 ( -0.768 -3.446 2.109) 4.113 4.177 ( -1.893 -1.608 -0.612) 2.558 4.210 ( -1.194 -4.901 -0.814) 5.110 4.666 ( 1.163 -0.715 -0.584) 1.485 4.676 ( 1.599 -1.352 -0.077) 2.095 5.085 ( 3.523 0.922 0.513) 3.677 5.118 ( 2.406 -1.899 0.381) 3.089 5.780 ( -5.897 6.430 -3.783) 9.510 5.887 ( -5.668 -4.112 -3.712) 7.925 6.176 ( 12.157 6.847 7.054) 15.634 6.269 ( 17.816 -0.335 6.082) 18.829 6.427 ( 3.538 2.054 0.236) 4.098 6.508 ( 4.229 -4.133 -2.357) 6.366 6.841 ( 2.535 4.259 -2.894) 5.739 6.970 ( -1.394 -8.297 -1.212) 8.501 7.361 ( 6.512 0.716 1.741) 6.779 7.399 ( 9.494 -3.559 0.580) 10.155 7.775 ( -12.130 5.884 4.452) 14.198 7.838 ( -13.231 -1.003 3.386) 13.694 8.024 ( -7.458 2.995 -1.937) 8.267 8.113 ( -8.085 -5.901 -3.866) 10.730 11.935 ( 0.733 0.330 -0.142) 0.817 11.940 ( 0.464 -0.138 0.028) 0.485 13.139 ( -5.692 1.046 0.718) 5.831 13.190 ( -6.237 -4.148 -0.550) 7.511 13.730 ( 1.779 6.120 1.468) 6.540 13.844 ( 3.846 -4.624 -2.382) 6.469 13.970 ( -3.908 3.723 0.147) 5.399 14.063 ( -5.259 -6.347 -1.535) 8.385 15.354 ( -1.904 3.075 5.084) 6.239 15.382 ( -1.870 0.487 4.617) 5.005 16.095 ( 5.672 8.537 -2.802) 10.626 16.249 ( 7.821 -6.450 -8.321) 13.116 17.581 ( 1.238 0.976 0.785) 1.761 17.603 ( 1.625 -1.182 0.982) 2.236 18.020 ( -0.680 1.738 -0.416) 1.912 18.049 ( -1.483 -0.986 0.237) 1.797 ======================= Grid point 98 (45/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -4.178 0.000 -13.415) 14.051 0.702 ( 4.178 0.000 13.415) 14.051 0.791 ( -7.145 0.000 -16.213) 17.717 0.791 ( 7.145 0.000 16.213) 17.717 1.175 ( 0.845 0.000 -15.979) 16.001 1.175 ( -0.845 0.000 15.979) 16.001 1.318 ( 1.068 0.000 -4.790) 4.907 1.318 ( -1.068 0.000 4.790) 4.907 1.428 ( 0.805 0.000 -2.450) 2.579 1.428 ( -0.805 0.000 2.450) 2.579 1.520 ( 0.620 0.000 -1.415) 1.545 1.520 ( -0.620 0.000 1.415) 1.545 1.656 ( -2.004 0.000 0.280) 2.024 1.656 ( 2.004 0.000 -0.280) 2.024 1.787 ( -0.263 0.000 -1.599) 1.621 1.787 ( 0.263 0.000 1.599) 1.621 1.875 ( -1.157 0.000 -0.606) 1.306 1.875 ( 1.157 0.000 0.606) 1.306 2.061 ( 2.798 0.000 -7.194) 7.719 2.061 ( -2.798 0.000 7.194) 7.719 2.105 ( -0.770 0.000 -2.465) 2.583 2.105 ( 0.770 0.000 2.465) 2.583 2.252 ( 3.985 0.000 -5.758) 7.003 2.252 ( -3.985 0.000 5.758) 7.003 2.311 ( -0.639 0.000 0.116) 0.649 2.311 ( 0.639 0.000 -0.116) 0.649 2.493 ( 0.990 0.000 -0.984) 1.396 2.493 ( -0.990 0.000 0.984) 1.396 2.595 ( -8.465 0.000 -0.838) 8.507 2.595 ( 8.465 0.000 0.838) 8.507 2.713 ( -2.435 0.000 -1.823) 3.042 2.713 ( 2.435 0.000 1.823) 3.042 2.880 ( 2.941 0.000 -4.559) 5.425 2.880 ( -2.941 0.000 4.559) 5.425 3.098 ( -1.080 0.000 -2.220) 2.469 3.098 ( 1.080 0.000 2.220) 2.469 3.191 ( -0.545 0.000 -0.280) 0.612 3.191 ( 0.545 0.000 0.280) 0.612 3.274 ( -3.997 0.000 0.522) 4.031 3.274 ( 3.997 0.000 -0.522) 4.031 3.306 ( -3.921 0.000 0.401) 3.941 3.306 ( 3.921 0.000 -0.401) 3.941 3.559 ( 2.261 0.000 -1.795) 2.887 3.559 ( -2.261 0.000 1.795) 2.887 3.612 ( -1.201 0.000 -3.426) 3.630 3.612 ( 1.201 0.000 3.426) 3.630 4.239 ( -1.365 0.000 -2.654) 2.984 4.239 ( 1.365 0.000 2.654) 2.984 4.411 ( -0.237 0.000 -0.008) 0.237 4.411 ( 0.237 0.000 0.008) 0.237 4.836 ( -1.981 0.000 -3.047) 3.635 4.836 ( 1.981 0.000 3.047) 3.635 5.189 ( 1.132 0.000 -2.972) 3.180 5.189 ( -1.132 0.000 2.972) 3.180 5.767 ( -3.328 0.000 -3.499) 4.829 5.767 ( 3.328 0.000 3.499) 4.829 6.055 ( -14.802 0.000 -1.388) 14.867 6.055 ( 14.802 0.000 1.388) 14.867 6.763 ( 3.316 0.000 -6.820) 7.583 6.763 ( -3.316 0.000 6.820) 7.583 6.942 ( -2.164 0.000 -4.391) 4.895 6.942 ( 2.164 0.000 4.391) 4.895 7.382 ( -1.763 0.000 -8.253) 8.439 7.382 ( 1.763 0.000 8.253) 8.439 7.753 ( 3.830 0.000 -1.448) 4.095 7.753 ( -3.830 0.000 1.448) 4.095 8.044 ( 1.107 0.000 -3.135) 3.325 8.044 ( -1.107 0.000 3.135) 3.325 11.944 ( 1.575 0.000 -0.873) 1.801 11.944 ( -1.575 0.000 0.873) 1.801 13.225 ( -0.786 0.000 -5.627) 5.682 13.225 ( 0.786 0.000 5.627) 5.682 13.867 ( 2.265 0.000 -3.401) 4.087 13.867 ( -2.265 0.000 3.401) 4.087 14.049 ( -4.464 0.000 0.923) 4.559 14.049 ( 4.464 0.000 -0.923) 4.559 15.267 ( 0.650 0.000 -8.314) 8.340 15.267 ( -0.650 0.000 8.314) 8.340 15.922 ( 6.347 0.000 -5.213) 8.214 15.922 ( -6.347 0.000 5.213) 8.214 17.698 ( -0.124 0.000 -5.470) 5.471 17.698 ( 0.124 0.000 5.470) 5.471 17.962 ( -7.143 0.000 0.416) 7.155 17.962 ( 7.143 0.000 -0.416) 7.155 ======================= Grid point 100 (46/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -9.604 0.000 -20.462) 22.604 0.643 ( 0.107 0.000 -7.208) 7.209 0.828 ( -0.763 0.000 10.730) 10.757 0.837 ( 7.222 0.000 13.550) 15.355 1.283 ( 1.990 0.000 -5.036) 5.415 1.287 ( -2.109 0.000 1.100) 2.378 1.334 ( 5.317 0.000 -6.712) 8.562 1.335 ( 5.173 0.000 -0.952) 5.260 1.379 ( -1.090 0.000 -2.231) 2.483 1.412 ( 3.417 0.000 7.292) 8.053 1.482 ( -4.110 0.000 -1.938) 4.544 1.508 ( -0.319 0.000 -1.060) 1.107 1.599 ( -0.572 0.000 -4.669) 4.704 1.680 ( 1.289 0.000 -2.272) 2.612 1.830 ( 1.509 0.000 -0.812) 1.714 1.836 ( -3.151 0.000 5.109) 6.003 1.879 ( 3.101 0.000 4.929) 5.823 1.885 ( 4.350 0.000 5.334) 6.883 1.999 ( -3.482 0.000 3.807) 5.159 2.079 ( -1.351 0.000 -3.899) 4.126 2.111 ( 3.273 0.000 -1.940) 3.805 2.129 ( 2.063 0.000 0.959) 2.275 2.210 ( -1.607 0.000 5.230) 5.472 2.292 ( 0.325 0.000 -5.722) 5.731 2.315 ( 1.008 0.000 -4.419) 4.532 2.343 ( 2.359 0.000 -5.169) 5.682 2.436 ( -5.377 0.000 -5.323) 7.566 2.477 ( -2.543 0.000 7.125) 7.565 2.483 ( -1.635 0.000 -2.682) 3.141 2.666 ( 0.099 0.000 3.797) 3.798 2.738 ( -1.126 0.000 5.448) 5.563 2.741 ( 4.259 0.000 -1.155) 4.413 2.842 ( -1.113 0.000 2.132) 2.405 2.894 ( -2.061 0.000 -2.996) 3.636 3.003 ( -7.005 0.000 -1.162) 7.101 3.045 ( -5.692 0.000 2.342) 6.155 3.115 ( -6.035 0.000 -1.474) 6.213 3.147 ( -4.014 0.000 -0.290) 4.024 3.237 ( 1.584 0.000 0.032) 1.584 3.251 ( -2.961 0.000 0.558) 3.014 3.282 ( -0.473 0.000 -3.343) 3.377 3.453 ( 7.615 0.000 3.084) 8.216 3.535 ( -3.396 0.000 -2.063) 3.974 3.585 ( -1.024 0.000 -3.138) 3.301 3.600 ( 2.198 0.000 0.733) 2.317 3.665 ( 4.834 0.000 0.400) 4.850 4.170 ( -4.366 0.000 -1.417) 4.590 4.217 ( -2.710 0.000 1.117) 2.931 4.477 ( 5.313 0.000 -2.052) 5.695 4.477 ( 5.472 0.000 -0.547) 5.500 4.791 ( -1.680 0.000 -4.534) 4.835 4.850 ( -1.214 0.000 -1.018) 1.584 5.107 ( -6.951 0.000 4.279) 8.162 5.150 ( -3.733 0.000 1.126) 3.900 5.685 ( -4.653 0.000 0.949) 4.749 5.690 ( -13.559 0.000 8.771) 16.149 5.859 ( -2.931 0.000 1.871) 3.477 6.198 ( -2.133 0.000 0.780) 2.272 6.574 ( -10.959 0.000 8.003) 13.570 6.583 ( -10.113 0.000 -10.000) 14.222 7.064 ( 2.262 0.000 5.221) 5.690 7.132 ( 13.952 0.000 -3.686) 14.431 7.416 ( 5.639 0.000 -3.040) 6.406 7.487 ( 7.577 0.000 6.696) 10.111 7.682 ( -10.088 0.000 -1.979) 10.280 7.709 ( 2.337 0.000 -1.810) 2.955 8.099 ( 4.384 0.000 4.943) 6.607 8.188 ( 10.977 0.000 2.000) 11.158 11.899 ( -2.483 0.000 0.475) 2.528 11.949 ( -0.457 0.000 -0.557) 0.721 13.304 ( 7.718 0.000 -3.871) 8.634 13.376 ( 12.665 0.000 9.258) 15.688 13.816 ( -6.577 0.000 -4.564) 8.005 13.818 ( -2.346 0.000 3.812) 4.476 14.061 ( 5.508 0.000 0.495) 5.530 14.142 ( 5.084 0.000 -5.690) 7.630 15.276 ( 0.290 0.000 8.531) 8.536 15.284 ( 2.295 0.000 -7.465) 7.810 15.739 ( -11.387 0.000 -3.588) 11.939 15.933 ( -3.661 0.000 -6.480) 7.443 17.628 ( -5.438 0.000 0.549) 5.466 17.640 ( -3.655 0.000 -5.528) 6.627 17.936 ( 2.603 0.000 2.004) 3.285 18.110 ( 6.334 0.000 -4.128) 7.561 ======================= Grid point 101 (47/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 6.928 0.000 -12.065) 13.912 0.706 ( 7.436 0.000 -3.993) 8.440 0.881 ( 5.460 0.000 6.437) 8.441 0.987 ( 5.887 0.000 13.351) 14.592 1.185 ( -7.571 0.000 -4.162) 8.640 1.241 ( -4.526 0.000 3.468) 5.703 1.318 ( -1.418 0.000 -0.914) 1.687 1.335 ( 2.741 0.000 -2.508) 3.715 1.356 ( -6.777 0.000 -5.821) 8.934 1.415 ( -3.631 0.000 1.030) 3.775 1.592 ( 4.270 0.000 1.881) 4.666 1.613 ( 5.279 0.000 -0.168) 5.282 1.641 ( 0.429 0.000 1.712) 1.765 1.651 ( -2.178 0.000 -0.350) 2.206 1.692 ( 3.631 0.000 -4.313) 5.639 1.931 ( 5.930 0.000 -0.272) 5.936 1.949 ( 2.084 0.000 0.686) 2.194 1.965 ( 2.243 0.000 3.396) 4.070 2.003 ( 2.870 0.000 -2.351) 3.710 2.057 ( 0.370 0.000 -4.301) 4.317 2.147 ( -2.673 0.000 1.029) 2.864 2.150 ( 0.397 0.000 -4.524) 4.542 2.199 ( 1.247 0.000 3.701) 3.905 2.263 ( -1.439 0.000 -4.198) 4.437 2.324 ( 0.572 0.000 -3.351) 3.400 2.344 ( -0.821 0.000 -2.014) 2.175 2.400 ( 2.285 0.000 -0.776) 2.414 2.440 ( -2.170 0.000 6.295) 6.659 2.504 ( 3.784 0.000 0.514) 3.819 2.667 ( -1.736 0.000 1.388) 2.222 2.701 ( -2.708 0.000 6.383) 6.934 2.755 ( -2.939 0.000 3.918) 4.898 2.793 ( -5.618 0.000 5.419) 7.805 2.809 ( -5.302 0.000 -1.124) 5.419 2.897 ( -2.794 0.000 -3.914) 4.809 2.985 ( 1.242 0.000 -5.555) 5.692 3.018 ( -4.095 0.000 1.339) 4.308 3.055 ( -5.247 0.000 -1.192) 5.381 3.200 ( -2.757 0.000 0.947) 2.915 3.233 ( -4.501 0.000 -3.801) 5.891 3.309 ( 4.260 0.000 0.761) 4.327 3.481 ( -0.164 0.000 1.055) 1.067 3.506 ( -2.268 0.000 0.472) 2.316 3.605 ( 3.915 0.000 -2.746) 4.782 3.650 ( 2.423 0.000 0.727) 2.530 3.726 ( 1.122 0.000 -0.948) 1.469 4.100 ( -2.875 0.000 0.061) 2.876 4.155 ( -3.898 0.000 -2.339) 4.546 4.567 ( 4.171 0.000 -0.091) 4.172 4.575 ( 5.374 0.000 -2.757) 6.040 4.764 ( -1.737 0.000 -3.317) 3.744 4.780 ( -5.346 0.000 -0.978) 5.435 5.009 ( -2.579 0.000 3.324) 4.207 5.086 ( -3.724 0.000 2.711) 4.606 5.531 ( -2.733 0.000 12.053) 12.359 5.599 ( -4.509 0.000 4.261) 6.204 5.796 ( -4.216 0.000 -3.016) 5.183 6.053 ( -9.329 0.000 -3.772) 10.063 6.399 ( -9.352 0.000 8.205) 12.441 6.407 ( -9.149 0.000 -9.879) 13.465 7.056 ( -1.609 0.000 8.918) 9.062 7.385 ( 4.814 0.000 -9.399) 10.560 7.398 ( -2.104 0.000 -4.547) 5.010 7.608 ( 6.520 0.000 6.450) 9.171 7.636 ( 6.080 0.000 7.055) 9.313 7.795 ( 5.356 0.000 -9.384) 10.805 8.196 ( 5.373 0.000 4.221) 6.833 8.347 ( 4.879 0.000 3.466) 5.984 11.877 ( 0.053 0.000 0.580) 0.583 11.937 ( -0.763 0.000 -0.540) 0.935 13.436 ( 5.711 0.000 0.592) 5.742 13.617 ( 9.087 0.000 10.099) 13.585 13.686 ( -4.729 0.000 -8.392) 9.633 13.801 ( 0.067 0.000 1.689) 1.690 14.186 ( 6.135 0.000 7.073) 9.363 14.218 ( 4.205 0.000 -8.805) 9.758 15.297 ( 0.719 0.000 8.474) 8.505 15.331 ( 3.295 0.000 -6.277) 7.090 15.561 ( -5.716 0.000 -8.136) 9.944 15.810 ( -7.896 0.000 -3.209) 8.523 17.559 ( -2.172 0.000 1.372) 2.569 17.576 ( -2.340 0.000 -4.411) 4.994 18.000 ( 3.496 0.000 2.524) 4.312 18.162 ( 0.288 0.000 -4.227) 4.237 ======================= Grid point 102 (48/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 13.746 0.000 0.717) 13.765 0.864 ( 6.599 0.000 -8.527) 10.782 0.989 ( -2.686 0.000 -3.902) 4.737 1.036 ( -3.441 0.000 11.271) 11.784 1.063 ( 4.262 0.000 8.791) 9.769 1.188 ( -0.743 0.000 1.104) 1.331 1.244 ( -3.328 0.000 -5.552) 6.473 1.263 ( -8.597 0.000 -3.999) 9.481 1.309 ( 1.604 0.000 -5.951) 6.163 1.410 ( -9.475 0.000 5.415) 10.913 1.454 ( 3.589 0.000 6.722) 7.620 1.540 ( -4.377 0.000 -3.354) 5.514 1.753 ( 8.762 0.000 5.431) 10.308 1.808 ( 9.183 0.000 4.127) 10.068 1.879 ( 6.512 0.000 -7.867) 10.212 1.918 ( -6.469 0.000 -3.545) 7.377 1.960 ( -1.612 0.000 -1.710) 2.350 1.989 ( -1.498 0.000 0.724) 1.663 2.020 ( 0.263 0.000 -4.998) 5.005 2.074 ( -0.755 0.000 -1.452) 1.637 2.093 ( 2.116 0.000 1.243) 2.454 2.141 ( -0.508 0.000 -2.450) 2.502 2.237 ( 2.298 0.000 -1.194) 2.590 2.252 ( 0.319 0.000 -1.425) 1.460 2.322 ( -0.497 0.000 -0.348) 0.607 2.337 ( -0.942 0.000 0.682) 1.162 2.440 ( 1.761 0.000 4.504) 4.836 2.504 ( 7.335 0.000 6.118) 9.552 2.513 ( -4.395 0.000 -0.252) 4.402 2.617 ( -2.585 0.000 -3.113) 4.046 2.674 ( -3.147 0.000 0.554) 3.195 2.680 ( 0.093 0.000 3.624) 3.625 2.698 ( -4.295 0.000 4.866) 6.491 2.724 ( -3.775 0.000 -4.334) 5.748 2.933 ( 5.151 0.000 3.797) 6.399 2.964 ( -1.909 0.000 2.723) 3.326 2.982 ( -0.577 0.000 -1.567) 1.670 3.040 ( 4.149 0.000 -7.238) 8.343 3.110 ( -7.450 0.000 -4.594) 8.752 3.128 ( -4.805 0.000 3.797) 6.124 3.387 ( 3.774 0.000 2.647) 4.609 3.452 ( -3.024 0.000 -1.910) 3.577 3.542 ( 5.253 0.000 1.399) 5.436 3.627 ( -2.185 0.000 -2.193) 3.096 3.689 ( 1.649 0.000 0.891) 1.874 3.715 ( -1.211 0.000 -0.909) 1.514 4.066 ( -0.733 0.000 1.658) 1.812 4.085 ( -2.519 0.000 -3.265) 4.123 4.639 ( 3.327 0.000 1.336) 3.585 4.657 ( 3.297 0.000 -1.341) 3.560 4.695 ( -3.188 0.000 0.355) 3.208 4.709 ( -2.885 0.000 -1.981) 3.500 5.001 ( 0.186 0.000 -1.371) 1.383 5.020 ( -2.870 0.000 2.859) 4.051 5.570 ( 1.273 0.000 5.588) 5.731 5.590 ( 3.559 0.000 6.415) 7.336 5.727 ( 0.405 0.000 -4.450) 4.468 5.873 ( -10.369 0.000 -2.848) 10.753 6.251 ( -3.990 0.000 -10.361) 11.103 6.261 ( -5.646 0.000 8.290) 10.030 7.075 ( 2.620 0.000 11.095) 11.400 7.188 ( -8.050 0.000 -10.919) 13.565 7.605 ( 9.112 0.000 -6.248) 11.049 7.694 ( -1.229 0.000 7.055) 7.161 7.748 ( 6.011 0.000 9.016) 10.836 7.829 ( -0.804 0.000 -10.333) 10.364 8.304 ( 5.499 0.000 0.622) 5.534 8.377 ( -1.745 0.000 2.145) 2.765 11.893 ( 1.309 0.000 0.763) 1.516 11.918 ( -1.168 0.000 -0.689) 1.356 13.515 ( 2.967 0.000 4.691) 5.551 13.579 ( -3.700 0.000 -5.784) 6.867 13.767 ( 4.263 0.000 3.032) 5.231 13.807 ( -0.250 0.000 -0.744) 0.785 14.272 ( 2.648 0.000 -10.697) 11.020 14.273 ( 1.483 0.000 10.882) 10.983 15.324 ( 1.029 0.000 8.481) 8.543 15.353 ( -0.409 0.000 -7.843) 7.854 15.540 ( 4.208 0.000 -4.221) 5.960 15.658 ( -7.827 0.000 0.145) 7.828 17.538 ( -0.562 0.000 2.811) 2.867 17.543 ( -0.677 0.000 -3.572) 3.636 18.068 ( 3.420 0.000 2.740) 4.382 18.131 ( -2.623 0.000 -3.347) 4.252 ======================= Grid point 106 (49/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -6.491 4.982 -11.964) 14.494 0.753 ( 6.491 4.982 11.964) 14.494 0.855 ( -1.673 5.959 -12.794) 14.212 0.855 ( 1.673 5.959 12.794) 14.212 1.225 ( -0.427 3.969 -7.139) 8.180 1.225 ( 0.427 3.969 7.139) 8.180 1.336 ( -0.531 1.619 -4.828) 5.120 1.336 ( 0.531 1.619 4.828) 5.120 1.452 ( -0.389 1.351 -3.529) 3.799 1.452 ( 0.389 1.351 3.529) 3.799 1.552 ( 2.662 4.034 -3.151) 5.770 1.552 ( -2.662 4.034 3.151) 5.770 1.656 ( -2.111 1.453 -0.524) 2.616 1.656 ( 2.111 1.453 0.524) 2.616 1.797 ( -3.102 -0.270 -3.742) 4.868 1.797 ( 3.102 -0.270 3.742) 4.868 1.915 ( 0.432 3.582 -6.418) 7.362 1.915 ( -0.432 3.582 6.418) 7.362 2.051 ( 2.380 -1.786 -8.732) 9.225 2.051 ( -2.380 -1.786 8.732) 9.225 2.144 ( -0.771 3.314 -2.297) 4.105 2.144 ( 0.771 3.314 2.297) 4.105 2.201 ( 0.755 -2.483 -3.930) 4.710 2.201 ( -0.755 -2.483 3.930) 4.710 2.298 ( 0.232 -0.934 -1.272) 1.595 2.298 ( -0.232 -0.934 1.272) 1.595 2.461 ( -0.506 -3.111 -5.412) 6.263 2.461 ( 0.506 -3.111 5.412) 6.263 2.591 ( -2.206 -0.700 -3.982) 4.606 2.591 ( 2.206 -0.700 3.982) 4.606 2.696 ( -2.468 -0.752 0.011) 2.580 2.696 ( 2.468 -0.752 -0.011) 2.580 2.919 ( 1.974 1.773 -2.433) 3.600 2.919 ( -1.974 1.773 2.433) 3.600 3.015 ( -3.953 -6.542 -2.815) 8.145 3.015 ( 3.953 -6.542 2.815) 8.145 3.150 ( 1.300 -1.539 -2.475) 3.191 3.150 ( -1.300 -1.539 2.475) 3.191 3.271 ( 0.471 0.690 -2.327) 2.472 3.271 ( -0.471 0.690 2.327) 2.472 3.382 ( -2.596 2.060 -1.826) 3.784 3.382 ( 2.596 2.060 1.826) 3.784 3.544 ( -0.529 -1.251 -2.741) 3.059 3.544 ( 0.529 -1.251 2.741) 3.059 3.613 ( 2.647 1.040 -2.753) 3.959 3.613 ( -2.647 1.040 2.753) 3.959 4.173 ( -4.357 -4.871 -1.059) 6.621 4.173 ( 4.357 -4.871 1.059) 6.621 4.433 ( -1.827 -1.376 -1.366) 2.664 4.433 ( 1.827 -1.376 1.366) 2.664 4.792 ( -1.245 -3.723 -2.411) 4.607 4.792 ( 1.245 -3.723 2.411) 4.607 5.179 ( 0.316 -0.528 -2.402) 2.480 5.179 ( -0.316 -0.528 2.402) 2.480 5.710 ( -8.010 -4.554 -5.032) 10.499 5.710 ( 8.010 -4.554 5.032) 10.499 6.061 ( -0.876 3.480 -2.911) 4.621 6.061 ( 0.876 3.480 2.911) 4.621 6.744 ( 0.231 -2.032 -6.672) 6.978 6.744 ( -0.231 -2.032 6.672) 6.978 7.034 ( -1.676 3.682 -5.315) 6.679 7.034 ( 1.676 3.682 5.315) 6.679 7.343 ( -9.515 -0.526 -11.499) 14.934 7.343 ( 9.515 -0.526 11.499) 14.934 7.721 ( -5.187 -2.264 0.150) 5.661 7.721 ( 5.187 -2.264 -0.150) 5.661 8.047 ( -1.920 -0.528 -4.983) 5.366 8.047 ( 1.920 -0.528 4.983) 5.366 11.943 ( 1.491 -0.042 -0.770) 1.679 11.943 ( -1.491 -0.042 0.770) 1.679 13.198 ( -0.777 -2.538 -4.751) 5.443 13.198 ( 0.777 -2.538 4.751) 5.443 13.862 ( 4.362 -0.490 -4.412) 6.224 13.862 ( -4.362 -0.490 4.412) 6.224 14.013 ( -7.322 -2.838 -10.316) 12.964 14.013 ( 7.322 -2.838 10.316) 12.964 15.265 ( 0.398 1.119 -5.104) 5.241 15.265 ( -0.398 1.119 5.104) 5.241 16.026 ( 3.875 7.575 -11.347) 14.183 16.026 ( -3.875 7.575 11.347) 14.183 17.680 ( -0.467 -1.588 -4.592) 4.881 17.680 ( 0.467 -1.588 4.592) 4.881 17.977 ( -6.344 1.294 0.303) 6.482 17.977 ( 6.344 1.294 -0.303) 6.482 ======================= Grid point 108 (50/60) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -5.467 6.665 -16.176) 18.330 0.753 ( -2.244 7.948 0.846) 8.302 0.891 ( 2.966 6.626 6.674) 9.861 0.906 ( 5.053 6.507 8.504) 11.840 1.269 ( 2.984 -0.731 -0.987) 3.227 1.283 ( -1.552 0.486 -3.672) 4.016 1.348 ( 1.019 0.968 0.227) 1.424 1.384 ( 0.917 3.461 1.030) 3.725 1.432 ( 5.977 3.641 -1.217) 7.103 1.453 ( -0.414 3.832 4.063) 5.601 1.509 ( -0.486 2.345 -5.711) 6.192 1.547 ( -2.208 3.691 -1.514) 4.560 1.627 ( 0.740 3.846 -3.315) 5.131 1.688 ( 1.330 -0.159 -1.970) 2.382 1.784 ( 0.378 -1.393 -0.058) 1.444 1.843 ( -3.210 -4.087 7.965) 9.510 1.882 ( -0.882 1.581 2.499) 3.086 1.931 ( 2.046 3.212 1.438) 4.071 1.981 ( -2.072 1.249 -0.673) 2.511 2.063 ( -0.602 -1.835 -2.436) 3.108 2.119 ( 0.342 2.208 0.487) 2.287 2.183 ( 0.446 -0.139 1.203) 1.291 2.212 ( 2.071 -0.763 -0.585) 2.284 2.240 ( 2.390 0.625 2.095) 3.239 2.305 ( 1.247 -1.356 -2.717) 3.283 2.336 ( 1.775 0.799 -5.228) 5.579 2.396 ( -0.572 -2.223 -1.042) 2.521 2.473 ( -1.612 0.525 -1.350) 2.167 2.538 ( -2.695 1.902 1.296) 3.544 2.649 ( 1.108 -2.028 4.654) 5.196 2.676 ( 1.760 -2.867 0.440) 3.393 2.742 ( 1.172 -1.117 -0.337) 1.654 2.845 ( -4.474 -1.478 -0.382) 4.727 2.899 ( -5.602 -3.905 0.624) 6.857 2.964 ( -2.096 2.969 -1.566) 3.957 3.029 ( -1.504 -2.953 3.027) 4.489 3.089 ( -3.286 -2.837 0.490) 4.368 3.130 ( -4.397 -1.015 0.175) 4.516 3.229 ( -4.413 -1.940 0.956) 4.914 3.280 ( -0.034 2.693 -1.913) 3.304 3.314 ( -2.386 2.973 -2.872) 4.772 3.402 ( 2.839 -3.708 -0.210) 4.675 3.517 ( -1.485 -0.220 -0.230) 1.519 3.603 ( 0.624 0.925 -0.259) 1.145 3.631 ( 4.277 -2.663 1.833) 5.361 3.648 ( 1.675 2.204 -1.654) 3.225 4.101 ( -2.938 -3.526 -1.474) 4.821 4.233 ( 0.188 -2.787 0.006) 2.794 4.390 ( 0.811 -3.718 -0.972) 3.928 4.496 ( 3.054 -4.027 -1.844) 5.379 4.770 ( -0.627 -1.833 -2.715) 3.336 4.804 ( -0.864 -4.364 -0.129) 4.451 5.113 ( -6.168 0.355 2.593) 6.701 5.137 ( -3.649 -0.878 0.469) 3.782 5.564 ( -5.821 -2.841 3.715) 7.467 5.812 ( -0.049 1.443 5.871) 6.046 5.875 ( -9.411 5.157 5.091) 11.878 6.111 ( -2.852 -2.894 -3.023) 5.064 6.605 ( -9.497 0.620 -8.592) 12.822 6.646 ( -7.600 4.061 5.696) 10.329 7.030 ( -3.358 -4.853 2.272) 6.323 7.198 ( 2.016 -4.534 -6.762) 8.388 7.280 ( 15.351 2.798 2.717) 15.839 7.537 ( 7.782 1.798 4.059) 8.959 7.583 ( -9.314 -6.501 2.561) 11.644 7.779 ( 2.945 3.831 -3.787) 6.140 8.092 ( 5.984 -0.361 -0.640) 6.029 8.178 ( 9.446 -1.632 4.124) 10.435 11.903 ( -2.158 0.438 0.466) 2.251 11.950 ( -0.361 0.037 -0.526) 0.639 13.266 ( 7.733 -3.335 -2.735) 8.854 13.332 ( 10.723 -4.123 7.110) 13.511 13.789 ( -4.459 -1.215 0.265) 4.629 13.845 ( -5.718 0.456 -3.802) 6.882 13.970 ( 6.128 -3.508 -7.738) 10.475 14.165 ( 6.572 -1.499 5.998) 9.023 15.276 ( 1.328 1.129 3.192) 3.637 15.287 ( 2.105 1.635 -2.189) 3.450 15.872 ( -11.231 10.035 3.374) 15.434 16.009 ( -4.537 5.712 -8.976) 11.566 17.622 ( -3.870 -0.617 -1.993) 4.397 17.636 ( -4.030 -0.370 -1.735) 4.403 17.943 ( 1.912 0.797 1.461) 2.535 18.106 ( 5.723 -0.408 -2.927) 6.441 ======================= Grid point 109 (51/60) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 5.262 8.118 -10.889) 14.566 0.788 ( 5.290 6.795 1.616) 8.762 0.946 ( 4.787 6.394 2.197) 8.284 1.042 ( 4.822 5.176 11.708) 13.679 1.195 ( -6.174 2.395 -1.772) 6.855 1.277 ( -1.888 1.978 0.051) 2.735 1.328 ( -4.713 0.509 -1.466) 4.962 1.368 ( 0.688 2.016 -4.450) 4.934 1.371 ( -2.825 3.060 -0.281) 4.174 1.472 ( -3.225 4.009 1.131) 5.268 1.598 ( 0.843 0.313 1.256) 1.545 1.623 ( -2.689 -0.604 7.509) 7.998 1.651 ( -2.691 0.391 -0.253) 2.731 1.659 ( 6.862 2.231 3.456) 8.000 1.741 ( 9.351 4.943 -12.240) 16.177 1.852 ( 1.822 -5.326 -2.142) 6.023 1.929 ( 1.922 -2.447 -1.003) 3.269 1.962 ( 0.396 -1.140 1.635) 2.032 1.980 ( 2.482 0.697 0.015) 2.578 2.041 ( -0.136 -2.278 -3.485) 4.165 2.136 ( -1.402 -2.464 2.986) 4.118 2.169 ( -1.362 3.554 -2.732) 4.685 2.238 ( 1.763 -0.483 -2.801) 3.345 2.289 ( 1.750 5.225 0.977) 5.596 2.313 ( 0.438 0.292 0.229) 0.574 2.340 ( -0.385 1.035 -4.301) 4.440 2.408 ( 0.786 0.829 -0.488) 1.242 2.469 ( 2.801 -0.617 -0.246) 2.878 2.549 ( 2.785 4.770 5.324) 7.671 2.660 ( -2.221 -0.448 1.344) 2.635 2.673 ( -2.847 -2.313 3.883) 5.342 2.733 ( -0.337 -1.631 2.176) 2.741 2.761 ( -3.275 -4.465 -1.781) 5.817 2.814 ( -5.065 0.932 4.115) 6.592 2.875 ( -4.722 -1.540 0.233) 4.972 2.977 ( -4.836 -1.173 -3.903) 6.324 3.009 ( -3.162 -0.610 1.068) 3.393 3.071 ( -1.919 0.728 -0.010) 2.052 3.149 ( -3.806 -3.480 -0.263) 5.164 3.268 ( -2.367 2.569 -1.938) 3.995 3.298 ( 2.169 -0.068 -0.035) 2.170 3.465 ( 3.227 -1.610 0.878) 3.711 3.524 ( -0.709 -0.717 2.646) 2.832 3.570 ( -0.544 -0.224 -4.355) 4.395 3.662 ( 0.833 -0.770 -0.734) 1.351 3.698 ( 1.007 -2.658 -0.486) 2.883 4.059 ( -1.500 -2.355 -0.773) 2.898 4.174 ( -4.806 -0.120 -2.199) 5.286 4.459 ( 5.157 -7.300 0.333) 8.944 4.550 ( 3.123 -5.403 -2.175) 6.609 4.743 ( -3.081 -2.934 -1.197) 4.419 4.744 ( -4.339 -2.856 -1.670) 5.456 5.010 ( -3.284 -0.272 1.700) 3.708 5.084 ( -2.894 0.052 2.489) 3.817 5.543 ( 3.079 3.777 9.134) 10.353 5.684 ( -7.978 6.460 5.283) 11.545 5.787 ( -4.748 -0.033 -0.802) 4.815 6.032 ( -4.219 -0.905 -3.532) 5.576 6.431 ( -8.266 1.693 -3.010) 8.959 6.459 ( -12.117 4.185 -0.368) 12.825 6.950 ( -3.497 -8.486 3.061) 9.675 7.293 ( -1.231 -7.057 -5.034) 8.755 7.394 ( -2.179 -8.598 3.385) 9.494 7.535 ( 10.605 1.303 1.132) 10.745 7.686 ( 7.662 0.423 0.441) 7.686 7.852 ( 3.781 7.604 -2.355) 8.813 8.217 ( 6.968 1.605 -0.284) 7.156 8.336 ( 5.871 -1.481 4.062) 7.291 11.884 ( 0.049 0.693 0.484) 0.847 11.939 ( -0.710 0.164 -0.473) 0.869 13.403 ( 6.089 -3.027 0.107) 6.801 13.543 ( 7.955 -7.141 8.528) 13.675 13.688 ( -3.016 0.315 -7.647) 8.226 13.799 ( -0.461 -0.265 1.004) 1.136 14.089 ( 7.180 -3.290 -5.730) 9.757 14.261 ( 2.837 -1.209 4.477) 5.437 15.314 ( 1.918 2.291 5.267) 6.055 15.340 ( 3.833 1.920 -3.343) 5.436 15.679 ( -8.342 9.421 -1.323) 12.653 15.870 ( -8.540 4.644 -5.761) 11.300 17.561 ( -2.212 0.216 0.586) 2.299 17.572 ( -2.319 -0.227 -3.171) 3.936 18.001 ( 3.466 0.142 2.196) 4.105 18.157 ( 0.448 -0.557 -3.370) 3.445 ======================= Grid point 110 (52/60) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 11.767 4.401 -1.636) 12.669 0.909 ( 3.586 3.886 -4.352) 6.848 1.006 ( -3.141 2.523 -0.751) 4.098 1.073 ( -2.914 3.458 6.441) 7.870 1.111 ( 3.847 4.552 7.563) 9.629 1.231 ( -1.495 3.687 -0.928) 4.086 1.280 ( -1.680 3.103 -2.135) 4.125 1.291 ( -6.385 2.536 -5.417) 8.749 1.342 ( 0.680 2.451 -3.015) 3.945 1.426 ( -8.355 1.322 6.350) 10.577 1.494 ( 4.196 3.615 4.281) 7.000 1.578 ( -4.178 3.139 -3.488) 6.283 1.712 ( 5.693 -1.782 1.796) 6.230 1.815 ( -4.006 -4.356 -2.694) 6.502 1.868 ( 10.781 3.258 5.381) 12.482 1.921 ( 5.866 1.215 -3.334) 6.856 1.957 ( 0.602 -2.644 -2.783) 3.886 1.968 ( 1.252 -1.233 1.752) 2.481 2.009 ( 2.161 -2.835 -5.061) 6.190 2.057 ( -5.714 -1.922 2.533) 6.539 2.075 ( 0.141 0.110 -3.456) 3.461 2.103 ( -3.310 1.064 -2.714) 4.411 2.281 ( 2.222 2.037 -1.069) 3.198 2.303 ( 0.233 2.606 -1.764) 3.156 2.329 ( 1.220 2.878 0.114) 3.128 2.344 ( 0.854 0.899 0.348) 1.288 2.467 ( 3.204 -0.386 0.939) 3.361 2.514 ( -0.038 2.514 5.663) 6.196 2.549 ( -1.553 2.212 1.561) 3.121 2.595 ( -0.470 -2.128 1.015) 2.404 2.635 ( -3.220 -1.592 -3.641) 5.114 2.674 ( -5.676 -0.978 1.364) 5.919 2.718 ( -0.453 0.083 -3.408) 3.439 2.738 ( -3.075 2.225 5.190) 6.430 2.885 ( 3.645 -4.349 0.556) 5.702 2.939 ( -2.242 -3.018 4.064) 5.536 2.953 ( 2.228 -1.386 -1.413) 2.980 3.051 ( -3.294 -1.308 -1.843) 3.995 3.102 ( 1.587 2.736 -0.913) 3.292 3.188 ( -5.589 4.021 -1.784) 7.113 3.365 ( 4.168 -1.725 1.918) 4.902 3.448 ( -4.717 -0.632 -0.460) 4.782 3.538 ( 4.349 -0.572 1.928) 4.792 3.597 ( 0.146 -2.446 -3.249) 4.069 3.666 ( -0.091 -2.672 0.703) 2.764 3.682 ( -1.552 -3.219 -1.126) 3.747 4.048 ( 0.580 -1.364 0.344) 1.521 4.088 ( -3.522 -0.275 -1.997) 4.058 4.552 ( 4.072 -7.728 2.074) 8.979 4.591 ( 0.770 -7.076 -2.108) 7.423 4.666 ( -2.085 -2.351 1.253) 3.383 4.687 ( -2.720 -2.109 -2.266) 4.121 4.995 ( 0.776 0.041 -0.576) 0.968 5.029 ( -2.915 0.644 2.080) 3.638 5.600 ( -0.000 2.787 5.272) 5.963 5.646 ( -1.001 4.229 -0.620) 4.390 5.740 ( 6.017 2.675 3.948) 7.677 5.921 ( -8.374 4.316 -4.227) 10.326 6.277 ( -4.263 2.232 -8.508) 9.774 6.295 ( -5.947 2.596 5.943) 8.799 6.954 ( 3.868 -8.919 4.948) 10.908 7.097 ( -10.360 -7.519 -4.796) 13.670 7.538 ( 8.134 -11.227 3.167) 14.221 7.631 ( -0.522 -8.888 -2.445) 9.233 7.815 ( 5.909 7.905 -0.072) 9.870 7.882 ( -0.906 9.664 -0.182) 9.708 8.335 ( 5.403 2.018 -2.068) 6.127 8.391 ( -0.521 0.523 3.322) 3.403 11.899 ( 1.202 0.550 0.628) 1.463 11.922 ( -1.069 0.328 -0.584) 1.261 13.488 ( 3.235 -2.744 3.880) 5.749 13.550 ( -3.096 -3.430 -4.172) 6.225 13.742 ( 4.616 -1.812 2.145) 5.403 13.793 ( -0.914 -1.105 -0.836) 1.660 14.207 ( 5.778 -3.161 -4.431) 7.938 14.276 ( -1.873 -2.145 4.005) 4.914 15.359 ( 2.091 3.601 4.605) 6.208 15.388 ( 0.530 3.469 -3.609) 5.034 15.604 ( 1.348 5.567 -0.095) 5.728 15.705 ( -7.889 3.904 -2.908) 9.270 17.538 ( -0.613 0.030 1.706) 1.813 17.541 ( -0.699 -0.088 -2.405) 2.506 18.069 ( 3.456 0.045 2.466) 4.246 18.130 ( -2.506 -0.156 -2.900) 3.836 ======================= Grid point 114 (53/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -3.945 7.704 -9.408) 12.784 0.883 ( 3.945 7.704 9.408) 12.784 0.997 ( 3.313 7.768 -9.364) 12.609 0.997 ( -3.313 7.768 9.364) 12.609 1.291 ( -0.133 1.626 -1.495) 2.213 1.291 ( 0.133 1.626 1.495) 2.213 1.366 ( -2.618 2.107 -1.090) 3.533 1.366 ( 2.618 2.107 1.090) 3.533 1.487 ( 0.521 2.821 -3.277) 4.356 1.487 ( -0.521 2.821 3.277) 4.356 1.649 ( -0.903 -0.293 -3.737) 3.856 1.649 ( 0.903 -0.293 3.737) 3.856 1.685 ( -1.530 2.366 -2.887) 4.034 1.685 ( 1.530 2.366 2.887) 4.034 1.796 ( -2.606 2.562 -4.597) 5.872 1.796 ( 2.606 2.562 4.597) 5.872 1.908 ( 1.802 -5.001 -5.945) 7.975 1.908 ( -1.802 -5.001 5.945) 7.975 2.071 ( -3.176 5.097 -3.023) 6.723 2.071 ( 3.176 5.097 3.023) 6.723 2.146 ( -1.244 -0.162 -6.590) 6.709 2.146 ( 1.244 -0.162 6.590) 6.709 2.258 ( 0.376 2.475 -1.523) 2.930 2.258 ( -0.376 2.475 1.523) 2.930 2.322 ( -3.051 5.568 -1.355) 6.492 2.322 ( 3.051 5.568 1.355) 6.492 2.389 ( -2.140 -3.650 -3.691) 5.615 2.389 ( 2.140 -3.650 3.691) 5.615 2.573 ( -1.684 -0.406 -1.229) 2.123 2.573 ( 1.684 -0.406 1.229) 2.123 2.679 ( -3.076 -1.858 0.643) 3.650 2.679 ( 3.076 -1.858 -0.643) 3.650 2.849 ( -4.677 -5.755 -3.615) 8.250 2.849 ( 4.677 -5.755 3.615) 8.250 2.943 ( 1.843 -2.989 -2.673) 4.413 2.943 ( -1.843 -2.989 2.673) 4.413 3.159 ( 1.909 1.455 -3.013) 3.852 3.159 ( -1.909 1.455 3.013) 3.852 3.258 ( 1.555 -1.883 -5.213) 5.756 3.258 ( -1.555 -1.883 5.213) 5.756 3.366 ( 0.617 -1.435 -2.600) 3.033 3.366 ( -0.617 -1.435 2.600) 3.033 3.543 ( -2.478 -0.197 -3.142) 4.007 3.543 ( 2.478 -0.197 3.142) 4.007 3.642 ( 0.267 1.942 -2.709) 3.344 3.642 ( -0.267 1.942 2.709) 3.344 4.080 ( -1.454 -4.260 -1.613) 4.781 4.080 ( 1.454 -4.260 1.613) 4.781 4.308 ( -0.262 -9.304 -3.157) 9.828 4.308 ( 0.262 -9.304 3.157) 9.828 4.726 ( -0.254 -2.795 -0.991) 2.976 4.726 ( 0.254 -2.795 0.991) 2.976 5.176 ( -0.042 0.103 -1.153) 1.158 5.176 ( 0.042 0.103 1.153) 1.158 5.657 ( -5.311 -0.623 -5.721) 7.831 5.657 ( 5.311 -0.623 5.721) 7.831 6.204 ( 3.622 9.938 -5.084) 11.736 6.204 ( -3.622 9.938 5.084) 11.736 6.675 ( -0.108 -4.883 -3.571) 6.050 6.675 ( 0.108 -4.883 3.571) 6.050 7.008 ( 1.478 -3.388 -5.594) 6.705 7.008 ( -1.478 -3.388 5.594) 6.705 7.379 ( -8.439 0.624 -6.540) 10.695 7.379 ( 8.439 0.624 6.540) 10.695 7.716 ( -8.465 2.633 -0.142) 8.866 7.716 ( 8.465 2.633 0.142) 8.866 8.008 ( -1.538 -3.062 -4.650) 5.776 8.008 ( 1.538 -3.062 4.650) 5.776 11.943 ( 0.856 0.075 -0.535) 1.013 11.943 ( -0.856 0.075 0.535) 1.013 13.142 ( -0.521 -2.733 -2.930) 4.040 13.142 ( 0.521 -2.733 2.930) 4.040 13.846 ( 3.471 -1.035 -7.958) 8.744 13.846 ( -3.471 -1.035 7.958) 8.744 13.966 ( -6.155 -1.645 -5.345) 8.316 13.966 ( 6.155 -1.645 5.345) 8.316 15.326 ( 0.620 4.420 -2.837) 5.289 15.326 ( -0.620 4.420 2.837) 5.289 16.138 ( 1.983 3.327 -11.455) 12.092 16.138 ( -1.983 3.327 11.455) 12.092 17.647 ( -0.613 -1.492 -2.855) 3.279 17.647 ( 0.613 -1.492 2.855) 3.279 18.003 ( -4.190 1.184 0.140) 4.357 18.003 ( 4.190 1.184 -0.140) 4.357 ======================= Grid point 116 (54/60) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -2.335 10.942 -10.561) 15.385 0.897 ( -1.157 7.038 7.944) 10.676 1.056 ( 5.231 8.492 4.959) 11.139 1.063 ( 4.276 8.314 -1.370) 9.449 1.268 ( 0.393 0.799 0.165) 0.905 1.315 ( 1.818 1.828 -2.202) 3.390 1.369 ( 0.340 -0.355 1.827) 1.892 1.391 ( -3.824 0.826 -0.467) 3.940 1.480 ( 5.702 1.569 3.249) 6.747 1.552 ( -0.441 1.043 -0.829) 1.403 1.579 ( -2.125 3.242 -0.870) 3.973 1.617 ( -2.350 2.326 -1.252) 3.536 1.671 ( -0.076 1.812 2.803) 3.338 1.694 ( -3.058 -3.002 -0.802) 4.359 1.750 ( -0.966 1.794 2.774) 3.442 1.814 ( -0.696 0.268 -2.214) 2.337 1.886 ( 2.575 4.024 -3.289) 5.800 1.953 ( 1.271 -6.357 -1.142) 6.582 1.996 ( -3.293 2.352 -0.631) 4.096 2.070 ( -2.247 1.012 -2.029) 3.192 2.110 ( -2.852 -0.092 -1.163) 3.081 2.213 ( 1.449 3.723 3.539) 5.337 2.249 ( 2.267 0.453 0.842) 2.460 2.268 ( 1.538 3.888 0.346) 4.196 2.338 ( 4.097 2.364 -2.713) 5.453 2.345 ( -0.038 0.939 -3.244) 3.377 2.404 ( 3.674 3.242 0.650) 4.943 2.488 ( 5.362 1.566 0.716) 5.632 2.538 ( -2.933 -0.488 1.574) 3.364 2.609 ( 1.215 -1.473 2.571) 3.202 2.625 ( -0.007 -3.858 -0.963) 3.977 2.708 ( -0.020 -2.696 -2.132) 3.437 2.745 ( -4.996 -4.065 -1.105) 6.535 2.867 ( -3.555 -1.058 2.990) 4.764 2.931 ( -0.841 -4.721 2.570) 5.441 2.982 ( 1.336 -4.464 -0.969) 4.759 3.080 ( -5.137 3.219 2.919) 6.728 3.132 ( -4.084 0.033 0.381) 4.102 3.179 ( -5.296 -1.522 -0.632) 5.547 3.282 ( 1.909 -4.378 -1.594) 5.035 3.343 ( 0.080 1.272 0.276) 1.304 3.380 ( -1.736 0.987 -3.429) 3.968 3.516 ( -0.764 -0.305 0.729) 1.099 3.588 ( 2.343 -1.385 1.249) 2.994 3.613 ( -0.482 0.331 0.688) 0.903 3.668 ( -0.462 0.228 -1.731) 1.806 4.043 ( -1.384 -2.519 -1.170) 3.103 4.130 ( 2.178 -6.110 -0.074) 6.487 4.282 ( -0.548 -7.091 -1.247) 7.220 4.344 ( 2.393 -9.461 -0.532) 9.773 4.709 ( -1.693 -3.807 -0.160) 4.170 4.729 ( -0.660 -2.921 -0.576) 3.049 5.108 ( -6.365 -0.317 -1.180) 6.481 5.135 ( -3.110 0.272 0.282) 3.134 5.588 ( -0.090 3.988 3.400) 5.241 5.790 ( 5.591 -1.830 7.926) 9.871 6.039 ( -10.368 9.880 4.724) 15.081 6.175 ( -9.445 8.164 -5.309) 13.566 6.569 ( -5.911 -4.120 -3.797) 8.144 6.688 ( 0.898 -0.803 1.583) 1.989 6.865 ( -13.921 -7.493 -8.452) 17.927 7.071 ( 4.559 -6.417 2.533) 8.269 7.360 ( 5.145 0.233 2.420) 5.691 7.447 ( -9.142 -6.615 4.262) 12.062 7.641 ( 6.003 9.225 1.250) 11.077 7.865 ( 8.547 4.331 -2.844) 9.995 8.075 ( 8.117 -1.535 -4.221) 9.277 8.120 ( 8.479 -3.886 3.727) 10.044 11.916 ( -1.484 0.777 0.348) 1.711 11.949 ( -0.227 -0.119 -0.439) 0.508 13.197 ( 6.893 -3.184 -1.182) 7.684 13.241 ( 7.556 -4.450 2.849) 9.220 13.771 ( -4.399 -0.526 -1.000) 4.542 13.825 ( -3.586 -1.652 -3.517) 5.287 13.963 ( 5.401 1.331 -3.958) 6.827 14.096 ( 6.052 -4.237 6.087) 9.572 15.338 ( 1.506 4.537 3.599) 5.984 15.354 ( 2.547 4.476 -1.698) 5.423 16.032 ( -9.330 5.347 5.248) 11.966 16.096 ( -5.373 2.540 -7.596) 9.645 17.607 ( -2.556 -0.654 -2.438) 3.592 17.625 ( -2.864 -0.737 0.940) 3.103 17.971 ( 0.789 1.979 0.596) 2.212 18.091 ( 4.211 -1.180 -1.380) 4.585 ======================= Grid point 117 (55/60) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 2.992 11.975 -8.450) 14.958 0.927 ( 3.414 7.099 5.776) 9.768 1.096 ( 2.308 7.459 -2.825) 8.303 1.172 ( 2.685 7.480 6.925) 10.541 1.277 ( -5.431 3.142 0.051) 6.275 1.287 ( 0.916 1.002 -1.142) 1.774 1.356 ( -1.865 0.736 0.605) 2.094 1.391 ( 2.749 1.306 -2.825) 4.152 1.421 ( -6.740 0.118 1.450) 6.895 1.545 ( -4.637 0.617 9.004) 10.147 1.556 ( -3.139 0.731 -0.695) 3.297 1.598 ( 3.793 -4.287 2.388) 6.202 1.673 ( 1.500 4.793 -4.033) 6.441 1.732 ( 3.406 2.284 2.594) 4.853 1.756 ( 5.615 -0.562 -0.879) 5.711 1.856 ( 1.930 0.085 -2.479) 3.143 1.903 ( 0.007 0.645 -4.720) 4.764 1.933 ( -0.716 0.381 3.956) 4.039 1.992 ( 2.274 -1.066 -5.712) 6.240 2.030 ( -1.992 -2.291 0.564) 3.087 2.065 ( -0.982 1.853 -1.781) 2.751 2.229 ( 1.690 1.905 -0.297) 2.564 2.282 ( -0.347 -0.941 -4.054) 4.176 2.317 ( -0.823 1.334 -3.331) 3.682 2.358 ( 4.392 5.486 2.186) 7.359 2.415 ( 4.108 2.758 -0.442) 4.968 2.433 ( -2.312 3.295 0.474) 4.053 2.459 ( 0.791 0.674 -0.540) 1.171 2.607 ( -0.026 -0.412 -2.078) 2.119 2.619 ( -1.020 -1.410 0.441) 1.795 2.634 ( -0.383 -6.158 -2.296) 6.583 2.662 ( -0.833 -0.939 1.066) 1.647 2.729 ( 2.988 -0.052 5.028) 5.849 2.809 ( -1.576 0.295 4.456) 4.735 2.846 ( -7.343 -1.874 3.004) 8.152 2.941 ( -5.072 -2.953 -1.738) 6.121 3.001 ( -6.424 -0.132 0.194) 6.428 3.056 ( -0.795 -0.162 2.467) 2.597 3.131 ( 0.202 0.860 0.635) 1.088 3.315 ( -0.633 1.859 -1.587) 2.525 3.321 ( -0.891 1.705 -1.308) 2.326 3.390 ( 4.120 -4.917 0.809) 6.466 3.505 ( -1.536 -1.399 2.005) 2.887 3.581 ( -2.307 0.164 -1.857) 2.966 3.625 ( 0.898 -2.517 -2.741) 3.829 3.631 ( -2.698 -3.032 -0.309) 4.070 4.020 ( -0.887 -1.660 -0.977) 2.121 4.128 ( -2.273 -4.234 -1.588) 5.061 4.310 ( 3.398 -7.079 0.676) 7.881 4.395 ( 2.778 -8.904 -1.682) 9.478 4.652 ( -3.974 -4.382 1.133) 6.023 4.690 ( -3.020 -3.303 -1.529) 4.729 5.013 ( -2.422 0.925 -0.171) 2.598 5.085 ( -2.419 -0.105 1.380) 2.787 5.657 ( 5.824 6.282 7.054) 11.098 5.819 ( -5.737 3.484 4.872) 8.294 5.845 ( -8.848 8.893 1.621) 12.649 6.032 ( -1.481 0.806 -3.539) 3.920 6.438 ( -6.909 -0.765 -0.655) 6.982 6.524 ( -15.024 1.207 -7.414) 16.797 6.773 ( 1.529 -7.383 -0.233) 7.543 7.165 ( 4.412 -10.513 5.673) 12.735 7.212 ( -13.288 -3.839 0.199) 13.833 7.408 ( 0.446 -9.354 -2.208) 9.621 7.837 ( 11.755 10.393 1.797) 15.794 8.012 ( 6.603 7.245 -1.189) 9.874 8.234 ( 8.407 -0.103 -2.986) 8.922 8.284 ( 7.578 -3.437 2.657) 8.735 11.902 ( 0.049 1.104 0.265) 1.137 11.941 ( -0.503 0.054 -0.351) 0.616 13.332 ( 6.228 -3.778 -0.994) 7.352 13.388 ( 6.507 -7.217 4.128) 10.558 13.701 ( -1.442 1.010 -4.448) 4.784 13.789 ( -0.728 -0.822 0.834) 1.379 14.067 ( 6.000 0.207 -4.904) 7.752 14.190 ( 2.927 -4.721 5.062) 7.516 15.387 ( 3.032 4.682 3.928) 6.822 15.414 ( 3.988 4.732 -1.098) 6.285 15.844 ( -10.113 6.348 2.232) 12.147 15.945 ( -9.087 2.446 -5.903) 11.109 17.563 ( -1.769 -0.003 -1.542) 2.347 17.573 ( -2.315 0.238 0.253) 2.341 18.011 ( 2.898 1.040 1.344) 3.359 18.135 ( 0.738 -1.720 -1.990) 2.732 ======================= Grid point 118 (56/60) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 7.130 7.947 -3.932) 11.377 1.002 ( -0.083 5.394 -1.074) 5.500 1.083 ( -2.442 4.454 2.766) 5.783 1.157 ( -4.379 4.694 0.908) 6.484 1.223 ( 3.212 5.626 4.138) 7.687 1.295 ( -3.081 2.194 3.053) 4.861 1.312 ( 0.531 -0.104 -5.701) 5.726 1.377 ( 3.738 4.412 -0.791) 5.837 1.386 ( -4.578 2.831 0.857) 5.450 1.460 ( -5.041 2.499 3.121) 6.434 1.559 ( 3.256 2.617 0.780) 4.250 1.617 ( -1.941 0.380 -0.784) 2.128 1.709 ( 3.126 1.451 -3.632) 5.007 1.760 ( -2.275 -0.761 1.450) 2.803 1.876 ( 2.196 -2.726 -0.373) 3.520 1.906 ( 7.952 0.061 1.414) 8.077 1.922 ( -2.216 -2.267 -1.498) 3.506 1.965 ( 7.273 0.307 3.088) 7.908 1.980 ( -0.909 -0.574 5.436) 5.541 2.044 ( 1.934 0.119 -6.023) 6.326 2.076 ( 0.476 0.642 1.157) 1.406 2.149 ( -9.134 1.265 -7.662) 11.989 2.286 ( 2.953 -0.229 -0.026) 2.962 2.329 ( -0.525 1.074 -1.608) 2.004 2.406 ( 0.568 4.095 -0.441) 4.157 2.410 ( -0.109 2.778 -0.203) 2.788 2.481 ( 2.366 0.854 2.576) 3.600 2.512 ( 4.062 0.687 -0.114) 4.121 2.537 ( -1.563 -1.450 1.415) 2.559 2.592 ( -1.699 -0.894 -1.708) 2.569 2.608 ( -2.899 -0.243 -0.924) 3.053 2.645 ( -3.899 -0.945 0.071) 4.013 2.720 ( -1.267 -0.287 -2.024) 2.405 2.758 ( -1.962 -3.782 3.383) 5.440 2.814 ( 0.297 -0.579 -2.695) 2.772 2.872 ( -4.714 -3.235 3.649) 6.782 2.958 ( 5.038 2.597 3.442) 6.631 3.040 ( -2.486 1.639 -0.142) 2.981 3.171 ( 3.994 3.227 2.467) 5.697 3.263 ( -4.288 3.240 -3.917) 6.650 3.339 ( 3.117 -0.525 1.791) 3.633 3.428 ( -5.618 -1.305 -0.408) 5.782 3.485 ( 4.879 -5.478 1.376) 7.463 3.563 ( -2.021 -2.034 -2.749) 3.972 3.582 ( -0.229 -4.586 1.202) 4.747 3.613 ( -1.622 -2.530 -1.978) 3.598 4.020 ( 1.275 -1.279 0.006) 1.805 4.067 ( -3.339 -1.611 -1.383) 3.957 4.378 ( 3.132 -8.950 1.976) 9.686 4.419 ( -0.453 -9.270 -2.316) 9.566 4.608 ( -0.330 -3.032 2.485) 3.934 4.635 ( -2.335 -2.915 -1.979) 4.227 5.010 ( 1.294 1.258 -0.419) 1.853 5.043 ( -2.251 0.691 1.278) 2.679 5.674 ( -2.397 4.588 2.970) 5.968 5.710 ( -5.175 3.004 -2.697) 6.563 5.859 ( 9.242 7.744 6.715) 13.801 6.013 ( -4.000 4.296 -3.110) 6.642 6.306 ( -4.864 -0.250 -2.446) 5.450 6.328 ( -5.081 0.477 -1.044) 5.209 6.812 ( 4.364 -4.292 1.026) 6.206 6.963 ( -11.379 -5.078 -1.002) 12.501 7.285 ( 5.996 -12.749 5.931) 15.286 7.380 ( -3.088 -13.693 -5.086) 14.930 8.019 ( 6.899 10.302 0.952) 12.435 8.081 ( 0.415 9.223 -0.422) 9.242 8.354 ( 4.446 -0.197 -2.724) 5.217 8.378 ( 1.743 -1.712 2.503) 3.498 11.913 ( 0.893 0.858 0.352) 1.287 11.930 ( -0.743 0.418 -0.376) 0.932 13.413 ( 2.823 -4.374 1.528) 5.425 13.446 ( -0.191 -6.171 -0.796) 6.225 13.726 ( 3.398 0.326 -0.290) 3.426 13.775 ( -1.406 -0.626 -0.239) 1.558 14.162 ( 4.538 -1.606 -4.671) 6.707 14.212 ( -1.215 -3.621 4.445) 5.861 15.453 ( 3.309 5.400 3.022) 7.017 15.480 ( 1.975 5.320 -1.399) 5.845 15.711 ( -2.824 4.451 2.274) 5.741 15.775 ( -7.567 2.560 -4.312) 9.078 17.541 ( -0.424 0.280 -0.956) 1.083 17.544 ( -0.896 0.389 0.572) 1.132 18.070 ( 2.991 0.074 1.729) 3.456 18.120 ( -1.880 -0.955 -1.984) 2.895 ======================= Grid point 122 (57/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -1.022 4.859 -5.764) 7.608 1.021 ( 1.022 4.859 5.764) 7.608 1.141 ( 0.222 6.099 -6.619) 9.003 1.141 ( -0.222 6.099 6.619) 9.003 1.270 ( 0.194 -2.579 -2.952) 3.924 1.270 ( -0.194 -2.579 2.952) 3.924 1.432 ( -2.674 3.004 -1.666) 4.353 1.432 ( 2.674 3.004 1.666) 4.353 1.523 ( 0.371 -4.203 -1.926) 4.638 1.523 ( -0.371 -4.203 1.926) 4.638 1.571 ( -2.657 1.747 -2.222) 3.880 1.571 ( 2.657 1.747 2.222) 3.880 1.729 ( -1.457 1.387 -3.518) 4.052 1.729 ( 1.457 1.387 3.518) 4.052 1.800 ( -0.009 -4.960 -0.903) 5.042 1.800 ( 0.009 -4.960 0.903) 5.042 1.884 ( -2.230 3.036 -0.573) 3.810 1.884 ( 2.230 3.036 0.573) 3.810 2.118 ( 3.035 2.678 -1.872) 4.460 2.118 ( -3.035 2.678 1.872) 4.460 2.214 ( -7.008 1.611 -5.880) 9.289 2.214 ( 7.008 1.611 5.880) 9.289 2.268 ( 1.924 -0.307 -2.710) 3.338 2.268 ( -1.924 -0.307 2.710) 3.338 2.304 ( -1.903 -2.968 -1.857) 3.985 2.304 ( 1.903 -2.968 1.857) 3.985 2.468 ( -4.542 6.677 -3.880) 8.960 2.468 ( 4.542 6.677 3.880) 8.960 2.569 ( -1.498 -2.674 -1.151) 3.274 2.569 ( 1.498 -2.674 1.151) 3.274 2.657 ( -1.764 3.550 -2.149) 4.509 2.657 ( 1.764 3.550 2.149) 4.509 2.789 ( -4.922 -2.052 -2.286) 5.802 2.789 ( 4.922 -2.052 2.286) 5.802 2.838 ( 1.501 -5.939 -3.855) 7.238 2.838 ( -1.501 -5.939 3.855) 7.238 3.172 ( -0.340 0.351 -2.325) 2.375 3.172 ( 0.340 0.351 2.325) 2.375 3.235 ( -0.305 -0.710 -3.228) 3.319 3.235 ( 0.305 -0.710 3.228) 3.319 3.352 ( 1.294 -0.134 -1.513) 1.995 3.352 ( -1.294 -0.134 1.513) 1.995 3.520 ( -0.945 -1.238 -1.337) 2.052 3.520 ( 0.945 -1.238 1.337) 2.052 3.681 ( -0.301 1.400 -0.989) 1.740 3.681 ( 0.301 1.400 0.989) 1.740 4.018 ( 0.084 -1.678 -1.036) 1.974 4.018 ( -0.084 -1.678 1.036) 1.974 4.158 ( -0.037 -4.547 -1.669) 4.844 4.158 ( 0.037 -4.547 1.669) 4.844 4.683 ( -0.259 -1.310 -0.461) 1.412 4.683 ( 0.259 -1.310 0.461) 1.412 5.178 ( -0.253 0.052 -0.515) 0.576 5.178 ( 0.253 0.052 0.515) 0.576 5.659 ( -1.684 0.258 -2.361) 2.911 5.659 ( 1.684 0.258 2.361) 2.911 6.398 ( 3.895 8.268 -5.414) 10.623 6.398 ( -3.895 8.268 5.414) 10.623 6.571 ( 4.632 -5.181 -3.240) 7.667 6.571 ( -4.632 -5.181 3.240) 7.667 6.961 ( 0.466 -1.227 -2.061) 2.443 6.961 ( -0.466 -1.227 2.061) 2.443 7.352 ( -2.339 -1.732 -2.122) 3.602 7.352 ( 2.339 -1.732 2.122) 3.602 7.785 ( -3.365 2.630 0.441) 4.294 7.785 ( 3.365 2.630 -0.441) 4.294 7.951 ( -0.380 -1.994 -2.097) 2.918 7.951 ( 0.380 -1.994 2.097) 2.918 11.945 ( 0.257 0.063 -0.207) 0.336 11.945 ( -0.257 0.063 0.207) 0.336 13.102 ( -0.167 -1.110 -0.983) 1.492 13.102 ( 0.167 -1.110 0.983) 1.492 13.828 ( 0.960 -0.608 -3.992) 4.150 13.828 ( -0.960 -0.608 3.992) 4.150 13.948 ( -1.779 -0.345 -0.898) 2.023 13.948 ( 1.779 -0.345 0.898) 2.023 15.403 ( 0.311 2.515 -1.225) 2.815 15.403 ( -0.311 2.515 1.225) 2.815 16.168 ( 0.574 0.341 -4.619) 4.667 16.168 ( -0.574 0.341 4.619) 4.667 17.626 ( -0.266 -0.562 -0.958) 1.142 17.626 ( 0.266 -0.562 0.958) 1.142 18.019 ( -1.441 0.440 0.033) 1.507 18.019 ( 1.441 0.440 -0.033) 1.507 ======================= Grid point 124 (58/60) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.538 7.949 -5.162) 9.493 1.038 ( 0.337 6.096 4.571) 7.627 1.144 ( 1.897 1.738 -2.955) 3.918 1.205 ( 3.829 1.809 1.479) 4.486 1.283 ( 1.878 0.795 2.610) 3.312 1.316 ( 3.990 -1.135 1.648) 4.464 1.375 ( -3.123 4.304 -2.440) 5.851 1.452 ( -1.531 -4.147 2.172) 4.925 1.458 ( -5.186 2.282 1.034) 5.759 1.507 ( -5.712 -4.812 -0.062) 7.469 1.541 ( 1.736 -0.127 -3.264) 3.699 1.588 ( 2.895 -3.377 -1.567) 4.716 1.708 ( 0.009 3.748 1.818) 4.166 1.775 ( 2.475 2.212 5.593) 6.503 1.796 ( -2.337 0.211 2.838) 3.683 1.820 ( 0.756 1.592 2.493) 3.053 1.881 ( 2.864 2.136 -1.238) 3.781 1.942 ( 0.861 -1.755 2.179) 2.928 2.032 ( -4.819 -0.459 -3.162) 5.782 2.057 ( -6.462 -0.681 -6.231) 9.003 2.133 ( -0.554 5.096 -2.186) 5.573 2.230 ( 0.080 0.043 -0.644) 0.650 2.273 ( 0.744 -1.797 -1.396) 2.394 2.297 ( 1.041 -3.424 2.489) 4.359 2.363 ( 5.485 1.985 -3.020) 6.569 2.396 ( -2.293 5.088 -2.821) 6.253 2.410 ( 6.602 -2.596 -3.011) 7.707 2.502 ( -3.542 -5.312 -3.733) 7.395 2.557 ( 3.479 4.027 0.879) 5.394 2.598 ( 1.267 1.012 -0.520) 1.703 2.620 ( -1.238 4.085 0.457) 4.292 2.705 ( -0.462 1.644 5.611) 5.866 2.728 ( -0.717 2.490 -1.175) 2.845 2.812 ( -0.474 -1.641 5.741) 5.990 2.852 ( 0.286 -6.651 -2.917) 7.268 2.907 ( 5.048 -1.346 5.951) 7.919 3.106 ( -5.934 -2.833 0.577) 6.601 3.114 ( -6.614 -1.661 -0.219) 6.823 3.168 ( -3.663 1.834 -0.665) 4.150 3.205 ( -1.060 -1.414 0.873) 1.970 3.377 ( 1.951 1.735 -0.795) 2.729 3.395 ( 2.075 0.340 -3.959) 4.483 3.505 ( -1.456 -0.483 1.446) 2.108 3.530 ( -0.678 -3.203 3.065) 4.485 3.647 ( -1.765 1.965 -1.743) 3.165 3.669 ( -2.170 -0.274 -1.789) 2.825 4.008 ( -0.424 -0.736 -0.623) 1.053 4.031 ( 0.603 -3.313 -0.508) 3.406 4.171 ( 1.935 -2.876 -0.257) 3.476 4.191 ( 2.834 -4.946 0.131) 5.702 4.661 ( -2.201 -0.898 -0.193) 2.385 4.675 ( -1.539 -2.118 0.017) 2.618 5.115 ( -5.039 0.882 -1.731) 5.400 5.132 ( -3.834 -0.628 -0.732) 3.953 5.674 ( 3.309 4.157 4.363) 6.875 5.744 ( 5.527 -2.946 6.465) 9.001 6.234 ( -10.933 9.135 3.512) 14.674 6.335 ( -16.162 3.324 -1.963) 16.617 6.486 ( 0.995 -0.461 -3.592) 3.755 6.595 ( -2.422 -6.937 -6.174) 9.597 6.835 ( -9.314 2.809 -2.976) 10.174 6.935 ( -0.780 -6.798 0.999) 6.915 7.340 ( -1.830 -1.036 3.132) 3.772 7.351 ( -5.606 -2.654 4.389) 7.598 7.819 ( 7.802 7.525 1.261) 10.913 7.909 ( 9.826 -0.976 -0.699) 9.899 8.045 ( 9.139 -1.046 -3.203) 9.741 8.052 ( 8.895 -2.119 -0.697) 9.171 11.932 ( -0.801 0.780 0.077) 1.120 11.944 ( -0.339 -0.458 -0.230) 0.615 13.156 ( 5.840 -0.710 -0.341) 5.893 13.172 ( 5.976 -2.289 0.532) 6.421 13.772 ( -3.461 0.628 -0.299) 3.530 13.794 ( -2.736 -1.481 0.067) 3.112 13.991 ( 4.780 1.480 -1.850) 5.335 14.028 ( 5.024 -2.531 1.501) 5.822 15.420 ( 1.797 2.893 2.256) 4.085 15.428 ( 2.358 2.154 -0.004) 3.194 16.093 ( -7.222 1.607 1.121) 7.483 16.113 ( -5.967 -0.407 -2.815) 6.610 17.601 ( -1.918 0.076 -0.817) 2.087 17.610 ( -1.877 -0.710 0.596) 2.093 18.015 ( 0.956 2.401 -0.038) 2.584 18.060 ( 2.380 -1.989 -0.576) 3.155 ======================= Grid point 125 (59/60) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 1.626 10.397 -6.093) 12.160 1.063 ( 2.177 6.162 3.770) 7.545 1.181 ( 1.810 -0.006 -2.414) 3.017 1.245 ( -0.007 -4.529 -2.147) 5.012 1.294 ( -3.798 -0.565 -0.898) 3.944 1.310 ( -1.360 3.581 -1.969) 4.307 1.366 ( -4.186 0.312 0.960) 4.306 1.391 ( -1.069 1.213 6.946) 7.131 1.426 ( 3.442 0.748 3.588) 5.028 1.464 ( 2.992 -4.671 1.730) 5.810 1.590 ( 3.411 2.526 -1.186) 4.407 1.669 ( 4.327 -5.020 -0.308) 6.635 1.676 ( -3.779 7.561 4.549) 9.599 1.776 ( 0.420 1.900 1.059) 2.215 1.815 ( -0.197 5.240 -1.794) 5.543 1.835 ( 2.930 -1.902 2.033) 4.042 1.874 ( -2.003 -1.848 3.141) 4.159 1.935 ( -2.007 0.124 -2.266) 3.029 1.954 ( -1.115 -2.395 -0.487) 2.687 2.009 ( 0.485 -2.254 -3.289) 4.016 2.131 ( -0.561 4.519 -4.010) 6.067 2.236 ( -2.283 -4.258 -5.263) 7.144 2.292 ( 0.765 2.777 0.294) 2.896 2.300 ( 2.600 0.574 0.852) 2.795 2.406 ( 2.976 -1.102 0.622) 3.234 2.424 ( -0.407 -1.919 -2.970) 3.559 2.470 ( 3.373 1.685 -1.149) 3.941 2.517 ( 2.408 -2.934 0.334) 3.810 2.569 ( -2.001 5.374 1.768) 6.000 2.614 ( 0.390 0.018 0.103) 0.403 2.617 ( 1.922 0.896 -2.884) 3.580 2.653 ( -3.233 0.235 -0.227) 3.250 2.703 ( -2.179 0.147 -2.402) 3.247 2.802 ( -2.803 -4.970 -1.079) 5.807 2.855 ( -5.681 3.623 2.995) 7.373 2.934 ( 0.375 4.957 2.112) 5.401 2.958 ( -5.114 -2.740 3.056) 6.557 3.078 ( 2.134 -4.767 2.558) 5.815 3.146 ( 1.644 4.035 2.463) 5.005 3.239 ( 4.056 -5.414 1.397) 6.907 3.382 ( -1.967 4.221 -0.187) 4.660 3.394 ( -1.386 2.950 -2.182) 3.922 3.461 ( -2.882 -2.736 1.271) 4.172 3.501 ( -2.809 -6.235 1.663) 7.038 3.612 ( -2.790 0.728 -3.473) 4.514 3.619 ( -1.399 0.029 -2.504) 2.869 4.001 ( -0.061 0.122 -0.776) 0.788 4.039 ( 0.388 -3.776 -0.653) 3.852 4.214 ( 2.174 -1.914 -0.080) 2.897 4.248 ( 2.624 -5.144 -0.807) 5.830 4.602 ( -3.493 -0.533 0.917) 3.651 4.626 ( -3.123 -2.702 0.105) 4.131 5.043 ( -1.860 1.812 -0.557) 2.656 5.074 ( -2.066 -1.131 0.236) 2.367 5.769 ( 4.895 5.059 6.854) 9.826 5.842 ( 1.575 -1.674 7.547) 7.890 6.014 ( -11.072 6.435 -1.113) 12.855 6.061 ( -8.788 1.158 -4.422) 9.906 6.423 ( -6.069 0.046 -2.310) 6.494 6.470 ( -9.224 -4.565 -8.842) 13.569 6.759 ( 0.829 5.323 2.459) 5.922 6.929 ( -0.708 -11.287 3.404) 11.811 7.199 ( -8.996 1.150 1.259) 9.156 7.260 ( -5.887 -5.299 -0.656) 7.947 8.016 ( 10.961 7.247 2.454) 13.368 8.097 ( 9.059 0.174 0.614) 9.082 8.216 ( 8.563 -0.846 -0.763) 8.639 8.230 ( 9.014 -1.594 -3.571) 9.825 11.924 ( -0.000 0.996 0.013) 0.996 11.938 ( -0.203 -0.439 -0.203) 0.524 13.274 ( 5.661 -1.518 -0.811) 5.917 13.286 ( 5.325 -2.893 1.176) 6.173 13.728 ( -0.625 1.741 -1.016) 2.111 13.764 ( -0.509 -1.687 0.945) 1.999 14.079 ( 4.493 0.954 -2.137) 5.066 14.113 ( 3.545 -2.746 1.588) 4.757 15.472 ( 3.390 3.188 2.484) 5.275 15.487 ( 3.868 1.865 0.724) 4.354 15.928 ( -9.770 2.617 -0.063) 10.114 15.961 ( -9.245 -0.691 -2.786) 9.681 17.567 ( -1.490 0.382 -0.460) 1.605 17.574 ( -1.739 -0.230 0.382) 1.795 18.044 ( 1.811 2.205 0.195) 2.860 18.092 ( 1.064 -2.514 -0.898) 2.874 ======================= Grid point 126 (60/60) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 1.513 6.797 -4.181) 8.122 1.090 ( -2.704 1.981 -0.907) 3.472 1.164 ( 0.346 3.882 4.899) 6.260 1.220 ( -2.244 1.274 -4.780) 5.432 1.252 ( -0.259 -2.640 2.669) 3.763 1.276 ( -1.525 -2.455 -4.053) 4.978 1.366 ( 3.622 4.693 3.515) 6.892 1.409 ( 1.035 0.710 5.821) 5.955 1.473 ( 0.298 2.804 1.059) 3.013 1.501 ( -0.917 0.392 -4.581) 4.688 1.615 ( 0.461 3.560 0.200) 3.595 1.636 ( -0.708 2.043 3.056) 3.744 1.724 ( 1.802 -0.627 0.630) 2.009 1.769 ( -2.214 -1.487 -1.240) 2.941 1.846 ( 3.169 2.067 -2.972) 4.811 1.888 ( 1.410 0.246 5.552) 5.734 1.914 ( 3.380 0.075 1.801) 3.830 1.948 ( 2.423 -3.012 -0.881) 3.965 1.959 ( 6.597 0.134 2.076) 6.917 2.015 ( 0.051 -3.772 -2.051) 4.293 2.074 ( -4.881 0.781 -2.253) 5.433 2.127 ( -8.328 -3.207 -5.098) 10.278 2.305 ( 2.494 2.344 0.130) 3.426 2.356 ( -0.829 -1.226 -0.400) 1.533 2.423 ( 0.197 1.306 -1.565) 2.048 2.433 ( -1.123 0.877 0.441) 1.491 2.495 ( 1.718 1.397 2.145) 3.083 2.539 ( 3.113 -0.276 0.496) 3.164 2.573 ( -2.579 1.760 -1.612) 3.514 2.582 ( -1.031 1.758 -1.845) 2.749 2.617 ( -0.605 -2.421 -1.235) 2.785 2.632 ( -1.404 -0.857 1.262) 2.073 2.691 ( 1.549 1.433 5.050) 5.473 2.743 ( -2.325 1.751 -6.333) 6.970 2.770 ( -1.200 -3.334 2.143) 4.141 2.808 ( -4.705 -2.328 -2.073) 5.643 3.045 ( 3.999 4.827 2.847) 6.884 3.094 ( -1.039 1.172 0.119) 1.571 3.226 ( 5.324 3.403 4.641) 7.840 3.316 ( -0.917 0.188 -2.377) 2.555 3.333 ( 0.852 -1.124 4.208) 4.438 3.373 ( 1.107 -1.072 -0.063) 1.542 3.398 ( -3.747 -1.819 -2.043) 4.639 3.436 ( -4.064 -7.023 0.141) 8.115 3.574 ( -0.422 0.727 -1.220) 1.481 3.589 ( -1.443 -0.657 -2.315) 2.806 4.011 ( 1.300 0.678 0.014) 1.466 4.037 ( -0.850 -1.413 -0.549) 1.738 4.241 ( 1.067 -3.678 0.374) 3.848 4.264 ( -0.741 -5.511 -1.401) 5.734 4.569 ( -0.118 -0.646 1.691) 1.814 4.583 ( -1.365 -1.981 -0.131) 2.410 5.036 ( 0.559 1.182 -0.179) 1.319 5.050 ( -0.914 -0.164 0.496) 1.052 5.757 ( -4.350 2.902 1.043) 5.332 5.765 ( -4.886 1.912 -0.076) 5.247 5.994 ( 6.525 5.351 3.180) 9.018 6.057 ( 2.620 -0.568 0.432) 2.716 6.286 ( -5.945 -0.165 -1.904) 6.244 6.312 ( -6.290 -1.876 -3.896) 7.633 6.806 ( 3.627 3.238 1.526) 5.096 6.891 ( -4.415 -3.731 0.891) 5.849 7.097 ( -0.663 -4.187 2.754) 5.056 7.153 ( -4.841 -8.422 -3.289) 10.256 8.181 ( 5.622 5.647 1.951) 8.204 8.212 ( 2.573 3.230 -0.319) 4.142 8.333 ( 3.561 -1.273 1.132) 3.948 8.342 ( 3.082 -1.564 -3.050) 4.609 11.929 ( 0.402 0.622 0.078) 0.745 11.935 ( -0.203 0.019 -0.162) 0.260 13.343 ( 1.920 -2.053 0.126) 2.814 13.350 ( 1.313 -2.879 0.011) 3.164 13.744 ( 1.678 1.152 -0.196) 2.045 13.763 ( -0.235 -0.749 0.275) 0.831 14.142 ( 2.331 -0.334 -1.958) 3.062 14.155 ( 0.684 -1.846 1.712) 2.609 15.546 ( 3.879 3.435 1.977) 5.546 15.563 ( 3.222 2.105 0.270) 3.859 15.771 ( -5.517 1.949 0.069) 5.851 15.796 ( -7.005 -0.387 -2.269) 7.373 17.548 ( -0.394 0.391 -0.286) 0.624 17.551 ( -0.721 0.170 0.320) 0.807 18.076 ( 1.473 0.647 0.534) 1.695 18.096 ( -0.475 -1.281 -0.839) 1.603 =================== 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 3/16464 10.0 70.313 80.867 74.521 0.000 17.161 0.000 3/16464 20.0 13.329 14.809 13.730 0.000 3.112 0.000 3/16464 30.0 6.022 6.571 6.243 0.000 1.323 0.000 3/16464 40.0 3.767 4.074 3.921 0.000 0.795 0.000 3/16464 50.0 2.738 2.945 2.851 0.000 0.562 0.000 3/16464 60.0 2.162 2.315 2.245 0.000 0.434 0.000 3/16464 70.0 1.796 1.915 1.858 0.000 0.355 0.000 3/16464 80.0 1.544 1.640 1.588 0.000 0.300 0.000 3/16464 90.0 1.358 1.438 1.391 0.000 0.261 0.000 3/16464 100.0 1.216 1.283 1.239 0.000 0.231 0.000 3/16464 110.0 1.104 1.160 1.119 0.000 0.208 0.000 3/16464 120.0 1.012 1.061 1.022 0.000 0.189 0.000 3/16464 130.0 0.935 0.978 0.942 0.000 0.173 0.000 3/16464 140.0 0.870 0.908 0.874 0.000 0.160 0.000 3/16464 150.0 0.814 0.848 0.816 0.000 0.149 0.000 3/16464 160.0 0.765 0.796 0.766 0.000 0.139 0.000 3/16464 170.0 0.722 0.750 0.722 0.000 0.130 0.000 3/16464 180.0 0.684 0.710 0.683 0.000 0.123 0.000 3/16464 190.0 0.650 0.674 0.649 0.000 0.116 0.000 3/16464 200.0 0.619 0.641 0.618 0.000 0.110 0.000 3/16464 210.0 0.591 0.612 0.589 0.000 0.105 0.000 3/16464 220.0 0.566 0.585 0.564 0.000 0.100 0.000 3/16464 230.0 0.542 0.561 0.541 0.000 0.095 0.000 3/16464 240.0 0.521 0.538 0.519 0.000 0.091 0.000 3/16464 250.0 0.501 0.518 0.499 0.000 0.088 0.000 3/16464 260.0 0.483 0.499 0.481 0.000 0.084 0.000 3/16464 270.0 0.466 0.481 0.464 0.000 0.081 0.000 3/16464 280.0 0.450 0.464 0.448 0.000 0.078 0.000 3/16464 290.0 0.435 0.449 0.433 0.000 0.075 0.000 3/16464 300.0 0.421 0.434 0.420 0.000 0.073 0.000 3/16464 310.0 0.408 0.421 0.407 0.000 0.070 0.000 3/16464 320.0 0.396 0.408 0.395 0.000 0.068 0.000 3/16464 330.0 0.385 0.396 0.383 0.000 0.066 0.000 3/16464 340.0 0.374 0.385 0.372 0.000 0.064 0.000 3/16464 350.0 0.363 0.374 0.362 0.000 0.062 0.000 3/16464 360.0 0.354 0.364 0.352 0.000 0.061 0.000 3/16464 370.0 0.345 0.355 0.343 0.000 0.059 0.000 3/16464 380.0 0.336 0.346 0.335 0.000 0.057 0.000 3/16464 390.0 0.327 0.337 0.326 0.000 0.056 0.000 3/16464 400.0 0.320 0.329 0.318 0.000 0.054 0.000 3/16464 410.0 0.312 0.321 0.311 0.000 0.053 0.000 3/16464 420.0 0.305 0.314 0.304 0.000 0.052 0.000 3/16464 430.0 0.298 0.306 0.297 0.000 0.051 0.000 3/16464 440.0 0.291 0.300 0.290 0.000 0.049 0.000 3/16464 450.0 0.285 0.293 0.284 0.000 0.048 0.000 3/16464 460.0 0.279 0.287 0.278 0.000 0.047 0.000 3/16464 470.0 0.273 0.281 0.272 0.000 0.046 0.000 3/16464 480.0 0.268 0.275 0.267 0.000 0.045 0.000 3/16464 490.0 0.262 0.270 0.261 0.000 0.044 0.000 3/16464 500.0 0.257 0.264 0.256 0.000 0.043 0.000 3/16464 510.0 0.252 0.259 0.251 0.000 0.043 0.000 3/16464 520.0 0.248 0.254 0.247 0.000 0.042 0.000 3/16464 530.0 0.243 0.250 0.242 0.000 0.041 0.000 3/16464 540.0 0.239 0.245 0.238 0.000 0.040 0.000 3/16464 550.0 0.234 0.241 0.234 0.000 0.040 0.000 3/16464 560.0 0.230 0.237 0.229 0.000 0.039 0.000 3/16464 570.0 0.226 0.232 0.226 0.000 0.038 0.000 3/16464 580.0 0.222 0.229 0.222 0.000 0.037 0.000 3/16464 590.0 0.219 0.225 0.218 0.000 0.037 0.000 3/16464 600.0 0.215 0.221 0.214 0.000 0.036 0.000 3/16464 610.0 0.212 0.217 0.211 0.000 0.036 0.000 3/16464 620.0 0.208 0.214 0.208 0.000 0.035 0.000 3/16464 630.0 0.205 0.211 0.204 0.000 0.034 0.000 3/16464 640.0 0.202 0.207 0.201 0.000 0.034 0.000 3/16464 650.0 0.199 0.204 0.198 0.000 0.033 0.000 3/16464 660.0 0.196 0.201 0.195 0.000 0.033 0.000 3/16464 670.0 0.193 0.198 0.192 0.000 0.032 0.000 3/16464 680.0 0.190 0.195 0.190 0.000 0.032 0.000 3/16464 690.0 0.187 0.193 0.187 0.000 0.031 0.000 3/16464 700.0 0.185 0.190 0.184 0.000 0.031 0.000 3/16464 710.0 0.182 0.187 0.182 0.000 0.031 0.000 3/16464 720.0 0.180 0.185 0.179 0.000 0.030 0.000 3/16464 730.0 0.177 0.182 0.177 0.000 0.030 0.000 3/16464 740.0 0.175 0.180 0.174 0.000 0.029 0.000 3/16464 750.0 0.173 0.177 0.172 0.000 0.029 0.000 3/16464 760.0 0.170 0.175 0.170 0.000 0.029 0.000 3/16464 770.0 0.168 0.173 0.168 0.000 0.028 0.000 3/16464 780.0 0.166 0.171 0.166 0.000 0.028 0.000 3/16464 790.0 0.164 0.168 0.164 0.000 0.027 0.000 3/16464 800.0 0.162 0.166 0.162 0.000 0.027 0.000 3/16464 810.0 0.160 0.164 0.160 0.000 0.027 0.000 3/16464 820.0 0.158 0.162 0.158 0.000 0.026 0.000 3/16464 830.0 0.156 0.160 0.156 0.000 0.026 0.000 3/16464 840.0 0.154 0.158 0.154 0.000 0.026 0.000 3/16464 850.0 0.153 0.157 0.152 0.000 0.026 0.000 3/16464 860.0 0.151 0.155 0.150 0.000 0.025 0.000 3/16464 870.0 0.149 0.153 0.149 0.000 0.025 0.000 3/16464 880.0 0.147 0.151 0.147 0.000 0.025 0.000 3/16464 890.0 0.146 0.150 0.145 0.000 0.024 0.000 3/16464 900.0 0.144 0.148 0.144 0.000 0.024 0.000 3/16464 910.0 0.143 0.146 0.142 0.000 0.024 0.000 3/16464 920.0 0.141 0.145 0.141 0.000 0.024 0.000 3/16464 930.0 0.140 0.143 0.139 0.000 0.023 0.000 3/16464 940.0 0.138 0.142 0.138 0.000 0.023 0.000 3/16464 950.0 0.137 0.140 0.136 0.000 0.023 0.000 3/16464 960.0 0.135 0.139 0.135 0.000 0.023 0.000 3/16464 970.0 0.134 0.137 0.133 0.000 0.022 0.000 3/16464 980.0 0.132 0.136 0.132 0.000 0.022 0.000 3/16464 990.0 0.131 0.135 0.131 0.000 0.022 0.000 3/16464 1000.0 0.130 0.133 0.129 0.000 0.022 0.000 3/16464 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:55:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|