----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:21:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.314775279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.036631620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.926672410000001 Atomic positions (fractional): *1 O 0.83503993034462 0.47918255214517 0.23419800116449 15.999 2 O 0.66496006965538 0.52081744785483 0.73419800116449 15.999 3 O 0.16496006965537 0.97918255214517 0.76580199883551 15.999 4 O 0.33503993034462 0.02081744785483 0.26580199883551 15.999 5 O 0.16496006965537 0.52081744785483 0.76580199883551 15.999 6 O 0.33503993034462 0.47918255214517 0.26580199883551 15.999 7 O 0.83503993034462 0.02081744785483 0.23419800116449 15.999 8 O 0.66496006965538 0.97918255214517 0.73419800116449 15.999 *9 O 0.43972912121332 0.75000000000000 0.72936251315142 15.999 10 O 0.06027087878668 0.25000000000000 0.22936251315142 15.999 11 O 0.56027087878668 0.25000000000000 0.27063748684858 15.999 12 O 0.93972912121332 0.75000000000000 0.77063748684858 15.999 *13 O 0.59215124805054 0.75000000000000 0.21031795113570 15.999 14 O 0.90784875194946 0.25000000000000 0.71031795113570 15.999 15 O 0.40784875194946 0.25000000000000 0.78968204886430 15.999 16 O 0.09215124805054 0.75000000000000 0.28968204886430 15.999 *17 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 18 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 19 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 20 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 *21 Mg 0.27566482082006 0.75000000000000 0.49337555811880 24.305 22 Mg 0.22433517917994 0.25000000000000 0.99337555811880 24.305 23 Mg 0.72433517917994 0.25000000000000 0.50662444188120 24.305 24 Mg 0.77566482082006 0.75000000000000 0.00662444188120 24.305 *25 Ge 0.59468511856574 0.75000000000000 0.56344290525096 72.640 26 Ge 0.90531488143426 0.25000000000000 0.06344290525096 72.640 27 Ge 0.40531488143426 0.25000000000000 0.43655709474904 72.640 28 Ge 0.09468511856574 0.75000000000000 0.93655709474904 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.314775279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.036631620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.926672410000001 Atomic positions (fractional): *1 O 0.83503993034462 0.47918255214517 0.23419800116449 15.999 > 1 2 O 0.66496006965538 0.52081744785483 0.73419800116449 15.999 > 2 3 O 0.16496006965537 0.97918255214517 0.76580199883551 15.999 > 3 4 O 0.33503993034462 0.02081744785483 0.26580199883551 15.999 > 4 5 O 0.16496006965537 0.52081744785483 0.76580199883551 15.999 > 5 6 O 0.33503993034462 0.47918255214517 0.26580199883551 15.999 > 6 7 O 0.83503993034462 0.02081744785483 0.23419800116449 15.999 > 7 8 O 0.66496006965538 0.97918255214517 0.73419800116449 15.999 > 8 *9 O 0.43972912121332 0.75000000000000 0.72936251315142 15.999 > 9 10 O 0.06027087878668 0.25000000000000 0.22936251315142 15.999 > 10 11 O 0.56027087878668 0.25000000000000 0.27063748684858 15.999 > 11 12 O 0.93972912121332 0.75000000000000 0.77063748684858 15.999 > 12 *13 O 0.59215124805054 0.75000000000000 0.21031795113570 15.999 > 13 14 O 0.90784875194946 0.25000000000000 0.71031795113570 15.999 > 14 15 O 0.40784875194946 0.25000000000000 0.78968204886430 15.999 > 15 16 O 0.09215124805054 0.75000000000000 0.28968204886430 15.999 > 16 *17 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 17 18 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 18 19 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 19 20 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 20 *21 Mg 0.27566482082006 0.75000000000000 0.49337555811880 24.305 > 21 22 Mg 0.22433517917994 0.25000000000000 0.99337555811880 24.305 > 22 23 Mg 0.72433517917994 0.25000000000000 0.50662444188120 24.305 > 23 24 Mg 0.77566482082006 0.75000000000000 0.00662444188120 24.305 > 24 *25 Ge 0.59468511856574 0.75000000000000 0.56344290525096 72.640 > 25 26 Ge 0.90531488143426 0.25000000000000 0.06344290525096 72.640 > 26 27 Ge 0.40531488143426 0.25000000000000 0.43655709474904 72.640 > 27 28 Ge 0.09468511856574 0.75000000000000 0.93655709474904 72.640 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.314775279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.073263239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.853344820000002 Atomic positions (fractional): *1 O 0.83503993034462 0.23959127607259 0.11709900058225 15.999 > 1 2 O 0.83503993034462 0.73959127607259 0.11709900058225 15.999 > 1 3 O 0.83503993034462 0.23959127607259 0.61709900058225 15.999 > 1 4 O 0.83503993034462 0.73959127607259 0.61709900058225 15.999 > 1 5 O 0.66496006965538 0.26040872392741 0.36709900058225 15.999 > 2 6 O 0.66496006965538 0.76040872392741 0.36709900058225 15.999 > 2 7 O 0.66496006965538 0.26040872392741 0.86709900058225 15.999 > 2 8 O 0.66496006965538 0.76040872392741 0.86709900058225 15.999 > 2 9 O 0.16496006965537 0.48959127607259 0.38290099941775 15.999 > 3 10 O 0.16496006965537 0.98959127607259 0.38290099941775 15.999 > 3 11 O 0.16496006965537 0.48959127607259 0.88290099941775 15.999 > 3 12 O 0.16496006965537 0.98959127607259 0.88290099941775 15.999 > 3 13 O 0.33503993034462 0.01040872392741 0.13290099941775 15.999 > 4 14 O 0.33503993034462 0.51040872392741 0.13290099941775 15.999 > 4 15 O 0.33503993034462 0.01040872392741 0.63290099941775 15.999 > 4 16 O 0.33503993034462 0.51040872392741 0.63290099941775 15.999 > 4 17 O 0.16496006965537 0.26040872392741 0.38290099941775 15.999 > 5 18 O 0.16496006965537 0.76040872392741 0.38290099941775 15.999 > 5 19 O 0.16496006965537 0.26040872392741 0.88290099941775 15.999 > 5 20 O 0.16496006965537 0.76040872392741 0.88290099941775 15.999 > 5 21 O 0.33503993034462 0.23959127607259 0.13290099941775 15.999 > 6 22 O 0.33503993034462 0.73959127607259 0.13290099941775 15.999 > 6 23 O 0.33503993034462 0.23959127607259 0.63290099941775 15.999 > 6 24 O 0.33503993034462 0.73959127607259 0.63290099941775 15.999 > 6 25 O 0.83503993034462 0.01040872392741 0.11709900058225 15.999 > 7 26 O 0.83503993034462 0.51040872392741 0.11709900058225 15.999 > 7 27 O 0.83503993034462 0.01040872392741 0.61709900058225 15.999 > 7 28 O 0.83503993034462 0.51040872392741 0.61709900058225 15.999 > 7 29 O 0.66496006965538 0.48959127607259 0.36709900058225 15.999 > 8 30 O 0.66496006965538 0.98959127607259 0.36709900058225 15.999 > 8 31 O 0.66496006965538 0.48959127607259 0.86709900058225 15.999 > 8 32 O 0.66496006965538 0.98959127607259 0.86709900058225 15.999 > 8 *33 O 0.43972912121332 0.37500000000000 0.36468125657571 15.999 > 9 34 O 0.43972912121332 0.87500000000000 0.36468125657571 15.999 > 9 35 O 0.43972912121332 0.37500000000000 0.86468125657571 15.999 > 9 36 O 0.43972912121332 0.87500000000000 0.86468125657571 15.999 > 9 37 O 0.06027087878668 0.12500000000000 0.11468125657571 15.999 > 10 38 O 0.06027087878668 0.62500000000000 0.11468125657571 15.999 > 10 39 O 0.06027087878668 0.12500000000000 0.61468125657571 15.999 > 10 40 O 0.06027087878668 0.62500000000000 0.61468125657571 15.999 > 10 41 O 0.56027087878668 0.12500000000000 0.13531874342429 15.999 > 11 42 O 0.56027087878668 0.62500000000000 0.13531874342429 15.999 > 11 43 O 0.56027087878668 0.12500000000000 0.63531874342429 15.999 > 11 44 O 0.56027087878668 0.62500000000000 0.63531874342429 15.999 > 11 45 O 0.93972912121332 0.37500000000000 0.38531874342429 15.999 > 12 46 O 0.93972912121332 0.87500000000000 0.38531874342429 15.999 > 12 47 O 0.93972912121332 0.37500000000000 0.88531874342429 15.999 > 12 48 O 0.93972912121332 0.87500000000000 0.88531874342429 15.999 > 12 *49 O 0.59215124805054 0.37500000000000 0.10515897556785 15.999 > 13 50 O 0.59215124805054 0.87500000000000 0.10515897556785 15.999 > 13 51 O 0.59215124805054 0.37500000000000 0.60515897556785 15.999 > 13 52 O 0.59215124805054 0.87500000000000 0.60515897556785 15.999 > 13 53 O 0.90784875194946 0.12500000000000 0.35515897556785 15.999 > 14 54 O 0.90784875194946 0.62500000000000 0.35515897556785 15.999 > 14 55 O 0.90784875194946 0.12500000000000 0.85515897556785 15.999 > 14 56 O 0.90784875194946 0.62500000000000 0.85515897556785 15.999 > 14 57 O 0.40784875194946 0.12500000000000 0.39484102443215 15.999 > 15 58 O 0.40784875194946 0.62500000000000 0.39484102443215 15.999 > 15 59 O 0.40784875194946 0.12500000000000 0.89484102443215 15.999 > 15 60 O 0.40784875194946 0.62500000000000 0.89484102443215 15.999 > 15 61 O 0.09215124805054 0.37500000000000 0.14484102443215 15.999 > 16 62 O 0.09215124805054 0.87500000000000 0.14484102443215 15.999 > 16 63 O 0.09215124805054 0.37500000000000 0.64484102443215 15.999 > 16 64 O 0.09215124805054 0.87500000000000 0.64484102443215 15.999 > 16 *65 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 17 66 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 17 67 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 17 68 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 17 69 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 18 70 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 18 71 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 18 72 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 18 73 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 19 74 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 19 75 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 19 76 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 19 77 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 20 78 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 20 79 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 20 80 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 20 *81 Mg 0.27566482082006 0.37500000000000 0.24668777905940 24.305 > 21 82 Mg 0.27566482082006 0.87500000000000 0.24668777905940 24.305 > 21 83 Mg 0.27566482082006 0.37500000000000 0.74668777905940 24.305 > 21 84 Mg 0.27566482082006 0.87500000000000 0.74668777905940 24.305 > 21 85 Mg 0.22433517917994 0.12500000000000 0.49668777905940 24.305 > 22 86 Mg 0.22433517917994 0.62500000000000 0.49668777905940 24.305 > 22 87 Mg 0.22433517917994 0.12500000000000 0.99668777905940 24.305 > 22 88 Mg 0.22433517917994 0.62500000000000 0.99668777905940 24.305 > 22 89 Mg 0.72433517917994 0.12500000000000 0.25331222094060 24.305 > 23 90 Mg 0.72433517917994 0.62500000000000 0.25331222094060 24.305 > 23 91 Mg 0.72433517917994 0.12500000000000 0.75331222094060 24.305 > 23 92 Mg 0.72433517917994 0.62500000000000 0.75331222094060 24.305 > 23 93 Mg 0.77566482082006 0.37500000000000 0.00331222094060 24.305 > 24 94 Mg 0.77566482082006 0.87500000000000 0.00331222094060 24.305 > 24 95 Mg 0.77566482082006 0.37500000000000 0.50331222094060 24.305 > 24 96 Mg 0.77566482082006 0.87500000000000 0.50331222094060 24.305 > 24 *97 Ge 0.59468511856574 0.37500000000000 0.28172145262548 72.640 > 25 98 Ge 0.59468511856574 0.87500000000000 0.28172145262548 72.640 > 25 99 Ge 0.59468511856574 0.37500000000000 0.78172145262548 72.640 > 25 100 Ge 0.59468511856574 0.87500000000000 0.78172145262548 72.640 > 25 101 Ge 0.90531488143426 0.12500000000000 0.03172145262548 72.640 > 26 102 Ge 0.90531488143426 0.62500000000000 0.03172145262548 72.640 > 26 103 Ge 0.90531488143426 0.12500000000000 0.53172145262548 72.640 > 26 104 Ge 0.90531488143426 0.62500000000000 0.53172145262548 72.640 > 26 105 Ge 0.40531488143426 0.12500000000000 0.21827854737452 72.640 > 27 106 Ge 0.40531488143426 0.62500000000000 0.21827854737452 72.640 > 27 107 Ge 0.40531488143426 0.12500000000000 0.71827854737452 72.640 > 27 108 Ge 0.40531488143426 0.62500000000000 0.71827854737452 72.640 > 27 109 Ge 0.09468511856574 0.37500000000000 0.46827854737452 72.640 > 28 110 Ge 0.09468511856574 0.87500000000000 0.46827854737452 72.640 > 28 111 Ge 0.09468511856574 0.37500000000000 0.96827854737452 72.640 > 28 112 Ge 0.09468511856574 0.87500000000000 0.96827854737452 72.640 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1129626 0.0000000 0.0000000 0.0000000 3.1928735 0.0000000 0.0000000 0.0000000 3.3999724 -------------------------- Born effective charges -------------------------- 1 O -1.6383330 0.1970143 0.1040840 0.2310529 -1.9856508 -0.0925452 0.0597667 0.0320862 -1.6520581 2 O -1.6383330 0.1970143 -0.1040840 0.2310529 -1.9856508 0.0925452 -0.0597667 -0.0320862 -1.6520581 3 O -1.6383330 -0.1970143 0.1040840 -0.2310529 -1.9856508 0.0925452 0.0597667 -0.0320862 -1.6520581 4 O -1.6383330 -0.1970143 -0.1040840 -0.2310529 -1.9856508 -0.0925452 -0.0597667 0.0320862 -1.6520581 5 O -1.6383330 0.1970143 0.1040840 0.2310529 -1.9856508 -0.0925452 0.0597667 0.0320862 -1.6520581 6 O -1.6383330 0.1970143 -0.1040840 0.2310529 -1.9856508 0.0925452 -0.0597667 -0.0320862 -1.6520581 7 O -1.6383330 -0.1970143 0.1040840 -0.2310529 -1.9856508 0.0925452 0.0597667 -0.0320862 -1.6520581 8 O -1.6383330 -0.1970143 -0.1040840 -0.2310529 -1.9856508 -0.0925452 -0.0597667 0.0320862 -1.6520581 9 O -2.0214436 0.0000000 0.1279069 0.0000000 -1.5767561 0.0000000 -0.0012734 0.0000000 -1.6933607 10 O -2.0214436 0.0000000 -0.1279069 0.0000000 -1.5767561 0.0000000 0.0012734 0.0000000 -1.6933607 11 O -2.0214436 0.0000000 0.1279069 0.0000000 -1.5767561 0.0000000 -0.0012734 0.0000000 -1.6933607 12 O -2.0214436 0.0000000 -0.1279069 0.0000000 -1.5767561 0.0000000 0.0012734 0.0000000 -1.6933607 13 O -1.4480660 0.0000000 -0.0026147 0.0000000 -1.5374329 0.0000000 -0.0087573 0.0000000 -2.4096802 14 O -1.4480660 0.0000000 0.0026147 0.0000000 -1.5374329 0.0000000 0.0087573 0.0000000 -2.4096802 15 O -1.4480660 0.0000000 -0.0026147 0.0000000 -1.5374329 0.0000000 -0.0087573 0.0000000 -2.4096802 16 O -1.4480660 0.0000000 0.0026147 0.0000000 -1.5374329 0.0000000 0.0087573 0.0000000 -2.4096802 17 Mg 1.6887121 -0.3320273 -0.1183836 -0.2779579 2.0063508 0.2049783 0.0652549 -0.1217055 2.3166682 18 Mg 1.6887121 -0.3320273 0.1183836 -0.2779579 2.0063508 -0.2049783 -0.0652549 0.1217055 2.3166682 19 Mg 1.6887121 0.3320273 -0.1183836 0.2779579 2.0063508 -0.2049783 0.0652549 0.1217055 2.3166682 20 Mg 1.6887121 0.3320273 0.1183836 0.2779579 2.0063508 0.2049783 -0.0652549 -0.1217055 2.3166682 21 Mg 2.3658140 0.0000000 -0.1106000 0.0000000 2.0826012 0.0000000 0.0730989 0.0000000 1.9706760 22 Mg 2.3658140 0.0000000 0.1106000 0.0000000 2.0826012 0.0000000 -0.0730989 0.0000000 1.9706760 23 Mg 2.3658140 0.0000000 -0.1106000 0.0000000 2.0826012 0.0000000 0.0730989 0.0000000 1.9706760 24 Mg 2.3658140 0.0000000 0.1106000 0.0000000 2.0826012 0.0000000 -0.0730989 0.0000000 1.9706760 25 Ge 2.6916494 0.0000000 -0.0019576 0.0000000 2.9965387 0.0000000 -0.0210690 0.0000000 3.1198129 26 Ge 2.6916494 0.0000000 0.0019576 0.0000000 2.9965387 0.0000000 0.0210690 0.0000000 3.1198129 27 Ge 2.6916494 0.0000000 -0.0019576 0.0000000 2.9965387 0.0000000 -0.0210690 0.0000000 3.1198129 28 Ge 2.6916494 0.0000000 0.0019576 0.0000000 2.9965387 0.0000000 0.0210690 0.0000000 3.1198129 ---------------------------------------------------------------------------- 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: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 480 - Time: 0.684 Solver_block: 200 / 480 - Time: 0.632 Solver_block: 300 / 480 - Time: 0.624 Solver_block: 400 / 480 - Time: 0.624 Solver_block: 480 / 480 - Time: 0.561 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.177 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:21:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:21:30]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.314775279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.036631620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.926672410000001 Atomic positions (fractional): 1 O 0.83503993034462 0.47918255214517 0.23419800116449 15.999 2 O 0.66496006965538 0.52081744785483 0.73419800116449 15.999 3 O 0.16496006965537 0.97918255214517 0.76580199883551 15.999 4 O 0.33503993034462 0.02081744785483 0.26580199883551 15.999 5 O 0.16496006965537 0.52081744785483 0.76580199883551 15.999 6 O 0.33503993034462 0.47918255214517 0.26580199883551 15.999 7 O 0.83503993034462 0.02081744785483 0.23419800116449 15.999 8 O 0.66496006965538 0.97918255214517 0.73419800116449 15.999 9 O 0.43972912121332 0.75000000000000 0.72936251315142 15.999 10 O 0.06027087878668 0.25000000000000 0.22936251315142 15.999 11 O 0.56027087878668 0.25000000000000 0.27063748684858 15.999 12 O 0.93972912121332 0.75000000000000 0.77063748684858 15.999 13 O 0.59215124805054 0.75000000000000 0.21031795113570 15.999 14 O 0.90784875194946 0.25000000000000 0.71031795113570 15.999 15 O 0.40784875194946 0.25000000000000 0.78968204886430 15.999 16 O 0.09215124805054 0.75000000000000 0.28968204886430 15.999 17 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 18 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 19 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 20 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 21 Mg 0.27566482082006 0.75000000000000 0.49337555811880 24.305 22 Mg 0.22433517917994 0.25000000000000 0.99337555811880 24.305 23 Mg 0.72433517917994 0.25000000000000 0.50662444188120 24.305 24 Mg 0.77566482082006 0.75000000000000 0.00662444188120 24.305 25 Ge 0.59468511856574 0.75000000000000 0.56344290525096 72.640 26 Ge 0.90531488143426 0.25000000000000 0.06344290525096 72.640 27 Ge 0.40531488143426 0.25000000000000 0.43655709474904 72.640 28 Ge 0.09468511856574 0.75000000000000 0.93655709474904 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.314775279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.073263239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.853344820000002 Atomic positions (fractional): 1 O 0.83503993034462 0.23959127607259 0.11709900058225 15.999 > 1 2 O 0.83503993034462 0.73959127607259 0.11709900058225 15.999 > 1 3 O 0.83503993034462 0.23959127607259 0.61709900058225 15.999 > 1 4 O 0.83503993034462 0.73959127607259 0.61709900058225 15.999 > 1 5 O 0.66496006965538 0.26040872392741 0.36709900058225 15.999 > 5 6 O 0.66496006965538 0.76040872392741 0.36709900058225 15.999 > 5 7 O 0.66496006965538 0.26040872392741 0.86709900058225 15.999 > 5 8 O 0.66496006965538 0.76040872392741 0.86709900058225 15.999 > 5 9 O 0.16496006965537 0.48959127607259 0.38290099941775 15.999 > 9 10 O 0.16496006965537 0.98959127607259 0.38290099941775 15.999 > 9 11 O 0.16496006965537 0.48959127607259 0.88290099941775 15.999 > 9 12 O 0.16496006965537 0.98959127607259 0.88290099941775 15.999 > 9 13 O 0.33503993034462 0.01040872392741 0.13290099941775 15.999 > 13 14 O 0.33503993034462 0.51040872392741 0.13290099941775 15.999 > 13 15 O 0.33503993034462 0.01040872392741 0.63290099941775 15.999 > 13 16 O 0.33503993034462 0.51040872392741 0.63290099941775 15.999 > 13 17 O 0.16496006965537 0.26040872392741 0.38290099941775 15.999 > 17 18 O 0.16496006965537 0.76040872392741 0.38290099941775 15.999 > 17 19 O 0.16496006965537 0.26040872392741 0.88290099941775 15.999 > 17 20 O 0.16496006965537 0.76040872392741 0.88290099941775 15.999 > 17 21 O 0.33503993034462 0.23959127607259 0.13290099941775 15.999 > 21 22 O 0.33503993034462 0.73959127607259 0.13290099941775 15.999 > 21 23 O 0.33503993034462 0.23959127607259 0.63290099941775 15.999 > 21 24 O 0.33503993034462 0.73959127607259 0.63290099941775 15.999 > 21 25 O 0.83503993034462 0.01040872392741 0.11709900058225 15.999 > 25 26 O 0.83503993034462 0.51040872392741 0.11709900058225 15.999 > 25 27 O 0.83503993034462 0.01040872392741 0.61709900058225 15.999 > 25 28 O 0.83503993034462 0.51040872392741 0.61709900058225 15.999 > 25 29 O 0.66496006965538 0.48959127607259 0.36709900058225 15.999 > 29 30 O 0.66496006965538 0.98959127607259 0.36709900058225 15.999 > 29 31 O 0.66496006965538 0.48959127607259 0.86709900058225 15.999 > 29 32 O 0.66496006965538 0.98959127607259 0.86709900058225 15.999 > 29 33 O 0.43972912121332 0.37500000000000 0.36468125657571 15.999 > 33 34 O 0.43972912121332 0.87500000000000 0.36468125657571 15.999 > 33 35 O 0.43972912121332 0.37500000000000 0.86468125657571 15.999 > 33 36 O 0.43972912121332 0.87500000000000 0.86468125657571 15.999 > 33 37 O 0.06027087878668 0.12500000000000 0.11468125657571 15.999 > 37 38 O 0.06027087878668 0.62500000000000 0.11468125657571 15.999 > 37 39 O 0.06027087878668 0.12500000000000 0.61468125657571 15.999 > 37 40 O 0.06027087878668 0.62500000000000 0.61468125657571 15.999 > 37 41 O 0.56027087878668 0.12500000000000 0.13531874342429 15.999 > 41 42 O 0.56027087878668 0.62500000000000 0.13531874342429 15.999 > 41 43 O 0.56027087878668 0.12500000000000 0.63531874342429 15.999 > 41 44 O 0.56027087878668 0.62500000000000 0.63531874342429 15.999 > 41 45 O 0.93972912121332 0.37500000000000 0.38531874342429 15.999 > 45 46 O 0.93972912121332 0.87500000000000 0.38531874342429 15.999 > 45 47 O 0.93972912121332 0.37500000000000 0.88531874342429 15.999 > 45 48 O 0.93972912121332 0.87500000000000 0.88531874342429 15.999 > 45 49 O 0.59215124805054 0.37500000000000 0.10515897556785 15.999 > 49 50 O 0.59215124805054 0.87500000000000 0.10515897556785 15.999 > 49 51 O 0.59215124805054 0.37500000000000 0.60515897556785 15.999 > 49 52 O 0.59215124805054 0.87500000000000 0.60515897556785 15.999 > 49 53 O 0.90784875194946 0.12500000000000 0.35515897556785 15.999 > 53 54 O 0.90784875194946 0.62500000000000 0.35515897556785 15.999 > 53 55 O 0.90784875194946 0.12500000000000 0.85515897556785 15.999 > 53 56 O 0.90784875194946 0.62500000000000 0.85515897556785 15.999 > 53 57 O 0.40784875194946 0.12500000000000 0.39484102443215 15.999 > 57 58 O 0.40784875194946 0.62500000000000 0.39484102443215 15.999 > 57 59 O 0.40784875194946 0.12500000000000 0.89484102443215 15.999 > 57 60 O 0.40784875194946 0.62500000000000 0.89484102443215 15.999 > 57 61 O 0.09215124805054 0.37500000000000 0.14484102443215 15.999 > 61 62 O 0.09215124805054 0.87500000000000 0.14484102443215 15.999 > 61 63 O 0.09215124805054 0.37500000000000 0.64484102443215 15.999 > 61 64 O 0.09215124805054 0.87500000000000 0.64484102443215 15.999 > 61 65 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 65 66 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 65 67 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 65 68 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 65 69 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 69 70 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 69 71 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 69 72 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 69 73 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 73 74 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 73 75 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 73 76 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 73 77 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 77 78 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 77 79 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 77 80 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 77 81 Mg 0.27566482082006 0.37500000000000 0.24668777905940 24.305 > 81 82 Mg 0.27566482082006 0.87500000000000 0.24668777905940 24.305 > 81 83 Mg 0.27566482082006 0.37500000000000 0.74668777905940 24.305 > 81 84 Mg 0.27566482082006 0.87500000000000 0.74668777905940 24.305 > 81 85 Mg 0.22433517917994 0.12500000000000 0.49668777905940 24.305 > 85 86 Mg 0.22433517917994 0.62500000000000 0.49668777905940 24.305 > 85 87 Mg 0.22433517917994 0.12500000000000 0.99668777905940 24.305 > 85 88 Mg 0.22433517917994 0.62500000000000 0.99668777905940 24.305 > 85 89 Mg 0.72433517917994 0.12500000000000 0.25331222094060 24.305 > 89 90 Mg 0.72433517917994 0.62500000000000 0.25331222094060 24.305 > 89 91 Mg 0.72433517917994 0.12500000000000 0.75331222094060 24.305 > 89 92 Mg 0.72433517917994 0.62500000000000 0.75331222094060 24.305 > 89 93 Mg 0.77566482082006 0.37500000000000 0.00331222094060 24.305 > 93 94 Mg 0.77566482082006 0.87500000000000 0.00331222094060 24.305 > 93 95 Mg 0.77566482082006 0.37500000000000 0.50331222094060 24.305 > 93 96 Mg 0.77566482082006 0.87500000000000 0.50331222094060 24.305 > 93 97 Ge 0.59468511856574 0.37500000000000 0.28172145262548 72.640 > 97 98 Ge 0.59468511856574 0.87500000000000 0.28172145262548 72.640 > 97 99 Ge 0.59468511856574 0.37500000000000 0.78172145262548 72.640 > 97 100 Ge 0.59468511856574 0.87500000000000 0.78172145262548 72.640 > 97 101 Ge 0.90531488143426 0.12500000000000 0.03172145262548 72.640 > 101 102 Ge 0.90531488143426 0.62500000000000 0.03172145262548 72.640 > 101 103 Ge 0.90531488143426 0.12500000000000 0.53172145262548 72.640 > 101 104 Ge 0.90531488143426 0.62500000000000 0.53172145262548 72.640 > 101 105 Ge 0.40531488143426 0.12500000000000 0.21827854737452 72.640 > 105 106 Ge 0.40531488143426 0.62500000000000 0.21827854737452 72.640 > 105 107 Ge 0.40531488143426 0.12500000000000 0.71827854737452 72.640 > 105 108 Ge 0.40531488143426 0.62500000000000 0.71827854737452 72.640 > 105 109 Ge 0.09468511856574 0.37500000000000 0.46827854737452 72.640 > 109 110 Ge 0.09468511856574 0.87500000000000 0.46827854737452 72.640 > 109 111 Ge 0.09468511856574 0.37500000000000 0.96827854737452 72.640 > 109 112 Ge 0.09468511856574 0.87500000000000 0.96827854737452 72.640 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1129626 0.0000000 0.0000000 0.0000000 3.1928735 0.0000000 0.0000000 0.0000000 3.3999724 -------------------------- Born effective charges -------------------------- 1 O -1.6383330 0.1970143 0.1040840 0.2310529 -1.9856508 -0.0925452 0.0597667 0.0320862 -1.6520581 2 O -1.6383330 0.1970143 -0.1040840 0.2310529 -1.9856508 0.0925452 -0.0597667 -0.0320862 -1.6520581 3 O -1.6383330 -0.1970143 0.1040840 -0.2310529 -1.9856508 0.0925452 0.0597667 -0.0320862 -1.6520581 4 O -1.6383330 -0.1970143 -0.1040840 -0.2310529 -1.9856508 -0.0925452 -0.0597667 0.0320862 -1.6520581 5 O -1.6383330 0.1970143 0.1040840 0.2310529 -1.9856508 -0.0925452 0.0597667 0.0320862 -1.6520581 6 O -1.6383330 0.1970143 -0.1040840 0.2310529 -1.9856508 0.0925452 -0.0597667 -0.0320862 -1.6520581 7 O -1.6383330 -0.1970143 0.1040840 -0.2310529 -1.9856508 0.0925452 0.0597667 -0.0320862 -1.6520581 8 O -1.6383330 -0.1970143 -0.1040840 -0.2310529 -1.9856508 -0.0925452 -0.0597667 0.0320862 -1.6520581 9 O -2.0214436 0.0000000 0.1279069 0.0000000 -1.5767561 0.0000000 -0.0012734 0.0000000 -1.6933607 10 O -2.0214436 0.0000000 -0.1279069 0.0000000 -1.5767561 0.0000000 0.0012734 0.0000000 -1.6933607 11 O -2.0214436 0.0000000 0.1279069 0.0000000 -1.5767561 0.0000000 -0.0012734 0.0000000 -1.6933607 12 O -2.0214436 0.0000000 -0.1279069 0.0000000 -1.5767561 0.0000000 0.0012734 0.0000000 -1.6933607 13 O -1.4480660 0.0000000 -0.0026147 0.0000000 -1.5374329 0.0000000 -0.0087573 0.0000000 -2.4096802 14 O -1.4480660 0.0000000 0.0026147 0.0000000 -1.5374329 0.0000000 0.0087573 0.0000000 -2.4096802 15 O -1.4480660 0.0000000 -0.0026147 0.0000000 -1.5374329 0.0000000 -0.0087573 0.0000000 -2.4096802 16 O -1.4480660 0.0000000 0.0026147 0.0000000 -1.5374329 0.0000000 0.0087573 0.0000000 -2.4096802 17 Mg 1.6887121 -0.3320273 -0.1183836 -0.2779579 2.0063508 0.2049783 0.0652549 -0.1217055 2.3166682 18 Mg 1.6887121 -0.3320273 0.1183836 -0.2779579 2.0063508 -0.2049783 -0.0652549 0.1217055 2.3166682 19 Mg 1.6887121 0.3320273 -0.1183836 0.2779579 2.0063508 -0.2049783 0.0652549 0.1217055 2.3166682 20 Mg 1.6887121 0.3320273 0.1183836 0.2779579 2.0063508 0.2049783 -0.0652549 -0.1217055 2.3166682 21 Mg 2.3658140 0.0000000 -0.1106000 0.0000000 2.0826012 0.0000000 0.0730989 0.0000000 1.9706760 22 Mg 2.3658140 0.0000000 0.1106000 0.0000000 2.0826012 0.0000000 -0.0730989 0.0000000 1.9706760 23 Mg 2.3658140 0.0000000 -0.1106000 0.0000000 2.0826012 0.0000000 0.0730989 0.0000000 1.9706760 24 Mg 2.3658140 0.0000000 0.1106000 0.0000000 2.0826012 0.0000000 -0.0730989 0.0000000 1.9706760 25 Ge 2.6916494 0.0000000 -0.0019576 0.0000000 2.9965387 0.0000000 -0.0210690 0.0000000 3.1198129 26 Ge 2.6916494 0.0000000 0.0019576 0.0000000 2.9965387 0.0000000 0.0210690 0.0000000 3.1198129 27 Ge 2.6916494 0.0000000 -0.0019576 0.0000000 2.9965387 0.0000000 -0.0210690 0.0000000 3.1198129 28 Ge 2.6916494 0.0000000 0.0019576 0.0000000 2.9965387 0.0000000 0.0210690 0.0000000 3.1198129 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yxy) -0.00000002 (yxy) -0.00000002 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:21:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:21:58]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.314775279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.036631620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.926672410000001 Atomic positions (fractional): 1 O 0.83503993034462 0.47918255214517 0.23419800116449 15.999 2 O 0.66496006965538 0.52081744785483 0.73419800116449 15.999 3 O 0.16496006965537 0.97918255214517 0.76580199883551 15.999 4 O 0.33503993034462 0.02081744785483 0.26580199883551 15.999 5 O 0.16496006965537 0.52081744785483 0.76580199883551 15.999 6 O 0.33503993034462 0.47918255214517 0.26580199883551 15.999 7 O 0.83503993034462 0.02081744785483 0.23419800116449 15.999 8 O 0.66496006965538 0.97918255214517 0.73419800116449 15.999 9 O 0.43972912121332 0.75000000000000 0.72936251315142 15.999 10 O 0.06027087878668 0.25000000000000 0.22936251315142 15.999 11 O 0.56027087878668 0.25000000000000 0.27063748684858 15.999 12 O 0.93972912121332 0.75000000000000 0.77063748684858 15.999 13 O 0.59215124805054 0.75000000000000 0.21031795113570 15.999 14 O 0.90784875194946 0.25000000000000 0.71031795113570 15.999 15 O 0.40784875194946 0.25000000000000 0.78968204886430 15.999 16 O 0.09215124805054 0.75000000000000 0.28968204886430 15.999 17 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 18 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 19 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 20 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 21 Mg 0.27566482082006 0.75000000000000 0.49337555811880 24.305 22 Mg 0.22433517917994 0.25000000000000 0.99337555811880 24.305 23 Mg 0.72433517917994 0.25000000000000 0.50662444188120 24.305 24 Mg 0.77566482082006 0.75000000000000 0.00662444188120 24.305 25 Ge 0.59468511856574 0.75000000000000 0.56344290525096 72.640 26 Ge 0.90531488143426 0.25000000000000 0.06344290525096 72.640 27 Ge 0.40531488143426 0.25000000000000 0.43655709474904 72.640 28 Ge 0.09468511856574 0.75000000000000 0.93655709474904 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.314775279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.073263239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.853344820000002 Atomic positions (fractional): 1 O 0.83503993034462 0.23959127607259 0.11709900058225 15.999 > 1 2 O 0.83503993034462 0.73959127607259 0.11709900058225 15.999 > 1 3 O 0.83503993034462 0.23959127607259 0.61709900058225 15.999 > 1 4 O 0.83503993034462 0.73959127607259 0.61709900058225 15.999 > 1 5 O 0.66496006965538 0.26040872392741 0.36709900058225 15.999 > 5 6 O 0.66496006965538 0.76040872392741 0.36709900058225 15.999 > 5 7 O 0.66496006965538 0.26040872392741 0.86709900058225 15.999 > 5 8 O 0.66496006965538 0.76040872392741 0.86709900058225 15.999 > 5 9 O 0.16496006965537 0.48959127607259 0.38290099941775 15.999 > 9 10 O 0.16496006965537 0.98959127607259 0.38290099941775 15.999 > 9 11 O 0.16496006965537 0.48959127607259 0.88290099941775 15.999 > 9 12 O 0.16496006965537 0.98959127607259 0.88290099941775 15.999 > 9 13 O 0.33503993034462 0.01040872392741 0.13290099941775 15.999 > 13 14 O 0.33503993034462 0.51040872392741 0.13290099941775 15.999 > 13 15 O 0.33503993034462 0.01040872392741 0.63290099941775 15.999 > 13 16 O 0.33503993034462 0.51040872392741 0.63290099941775 15.999 > 13 17 O 0.16496006965537 0.26040872392741 0.38290099941775 15.999 > 17 18 O 0.16496006965537 0.76040872392741 0.38290099941775 15.999 > 17 19 O 0.16496006965537 0.26040872392741 0.88290099941775 15.999 > 17 20 O 0.16496006965537 0.76040872392741 0.88290099941775 15.999 > 17 21 O 0.33503993034462 0.23959127607259 0.13290099941775 15.999 > 21 22 O 0.33503993034462 0.73959127607259 0.13290099941775 15.999 > 21 23 O 0.33503993034462 0.23959127607259 0.63290099941775 15.999 > 21 24 O 0.33503993034462 0.73959127607259 0.63290099941775 15.999 > 21 25 O 0.83503993034462 0.01040872392741 0.11709900058225 15.999 > 25 26 O 0.83503993034462 0.51040872392741 0.11709900058225 15.999 > 25 27 O 0.83503993034462 0.01040872392741 0.61709900058225 15.999 > 25 28 O 0.83503993034462 0.51040872392741 0.61709900058225 15.999 > 25 29 O 0.66496006965538 0.48959127607259 0.36709900058225 15.999 > 29 30 O 0.66496006965538 0.98959127607259 0.36709900058225 15.999 > 29 31 O 0.66496006965538 0.48959127607259 0.86709900058225 15.999 > 29 32 O 0.66496006965538 0.98959127607259 0.86709900058225 15.999 > 29 33 O 0.43972912121332 0.37500000000000 0.36468125657571 15.999 > 33 34 O 0.43972912121332 0.87500000000000 0.36468125657571 15.999 > 33 35 O 0.43972912121332 0.37500000000000 0.86468125657571 15.999 > 33 36 O 0.43972912121332 0.87500000000000 0.86468125657571 15.999 > 33 37 O 0.06027087878668 0.12500000000000 0.11468125657571 15.999 > 37 38 O 0.06027087878668 0.62500000000000 0.11468125657571 15.999 > 37 39 O 0.06027087878668 0.12500000000000 0.61468125657571 15.999 > 37 40 O 0.06027087878668 0.62500000000000 0.61468125657571 15.999 > 37 41 O 0.56027087878668 0.12500000000000 0.13531874342429 15.999 > 41 42 O 0.56027087878668 0.62500000000000 0.13531874342429 15.999 > 41 43 O 0.56027087878668 0.12500000000000 0.63531874342429 15.999 > 41 44 O 0.56027087878668 0.62500000000000 0.63531874342429 15.999 > 41 45 O 0.93972912121332 0.37500000000000 0.38531874342429 15.999 > 45 46 O 0.93972912121332 0.87500000000000 0.38531874342429 15.999 > 45 47 O 0.93972912121332 0.37500000000000 0.88531874342429 15.999 > 45 48 O 0.93972912121332 0.87500000000000 0.88531874342429 15.999 > 45 49 O 0.59215124805054 0.37500000000000 0.10515897556785 15.999 > 49 50 O 0.59215124805054 0.87500000000000 0.10515897556785 15.999 > 49 51 O 0.59215124805054 0.37500000000000 0.60515897556785 15.999 > 49 52 O 0.59215124805054 0.87500000000000 0.60515897556785 15.999 > 49 53 O 0.90784875194946 0.12500000000000 0.35515897556785 15.999 > 53 54 O 0.90784875194946 0.62500000000000 0.35515897556785 15.999 > 53 55 O 0.90784875194946 0.12500000000000 0.85515897556785 15.999 > 53 56 O 0.90784875194946 0.62500000000000 0.85515897556785 15.999 > 53 57 O 0.40784875194946 0.12500000000000 0.39484102443215 15.999 > 57 58 O 0.40784875194946 0.62500000000000 0.39484102443215 15.999 > 57 59 O 0.40784875194946 0.12500000000000 0.89484102443215 15.999 > 57 60 O 0.40784875194946 0.62500000000000 0.89484102443215 15.999 > 57 61 O 0.09215124805054 0.37500000000000 0.14484102443215 15.999 > 61 62 O 0.09215124805054 0.87500000000000 0.14484102443215 15.999 > 61 63 O 0.09215124805054 0.37500000000000 0.64484102443215 15.999 > 61 64 O 0.09215124805054 0.87500000000000 0.64484102443215 15.999 > 61 65 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 65 66 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 65 67 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 65 68 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 65 69 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 69 70 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 69 71 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 69 72 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 69 73 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 73 74 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 73 75 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 73 76 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 73 77 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 77 78 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 77 79 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 77 80 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 77 81 Mg 0.27566482082006 0.37500000000000 0.24668777905940 24.305 > 81 82 Mg 0.27566482082006 0.87500000000000 0.24668777905940 24.305 > 81 83 Mg 0.27566482082006 0.37500000000000 0.74668777905940 24.305 > 81 84 Mg 0.27566482082006 0.87500000000000 0.74668777905940 24.305 > 81 85 Mg 0.22433517917994 0.12500000000000 0.49668777905940 24.305 > 85 86 Mg 0.22433517917994 0.62500000000000 0.49668777905940 24.305 > 85 87 Mg 0.22433517917994 0.12500000000000 0.99668777905940 24.305 > 85 88 Mg 0.22433517917994 0.62500000000000 0.99668777905940 24.305 > 85 89 Mg 0.72433517917994 0.12500000000000 0.25331222094060 24.305 > 89 90 Mg 0.72433517917994 0.62500000000000 0.25331222094060 24.305 > 89 91 Mg 0.72433517917994 0.12500000000000 0.75331222094060 24.305 > 89 92 Mg 0.72433517917994 0.62500000000000 0.75331222094060 24.305 > 89 93 Mg 0.77566482082006 0.37500000000000 0.00331222094060 24.305 > 93 94 Mg 0.77566482082006 0.87500000000000 0.00331222094060 24.305 > 93 95 Mg 0.77566482082006 0.37500000000000 0.50331222094060 24.305 > 93 96 Mg 0.77566482082006 0.87500000000000 0.50331222094060 24.305 > 93 97 Ge 0.59468511856574 0.37500000000000 0.28172145262548 72.640 > 97 98 Ge 0.59468511856574 0.87500000000000 0.28172145262548 72.640 > 97 99 Ge 0.59468511856574 0.37500000000000 0.78172145262548 72.640 > 97 100 Ge 0.59468511856574 0.87500000000000 0.78172145262548 72.640 > 97 101 Ge 0.90531488143426 0.12500000000000 0.03172145262548 72.640 > 101 102 Ge 0.90531488143426 0.62500000000000 0.03172145262548 72.640 > 101 103 Ge 0.90531488143426 0.12500000000000 0.53172145262548 72.640 > 101 104 Ge 0.90531488143426 0.62500000000000 0.53172145262548 72.640 > 101 105 Ge 0.40531488143426 0.12500000000000 0.21827854737452 72.640 > 105 106 Ge 0.40531488143426 0.62500000000000 0.21827854737452 72.640 > 105 107 Ge 0.40531488143426 0.12500000000000 0.71827854737452 72.640 > 105 108 Ge 0.40531488143426 0.62500000000000 0.71827854737452 72.640 > 105 109 Ge 0.09468511856574 0.37500000000000 0.46827854737452 72.640 > 109 110 Ge 0.09468511856574 0.87500000000000 0.46827854737452 72.640 > 109 111 Ge 0.09468511856574 0.37500000000000 0.96827854737452 72.640 > 109 112 Ge 0.09468511856574 0.87500000000000 0.96827854737452 72.640 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1129626 0.0000000 0.0000000 0.0000000 3.1928735 0.0000000 0.0000000 0.0000000 3.3999724 -------------------------- Born effective charges -------------------------- 1 O -1.6383330 0.1970143 0.1040840 0.2310529 -1.9856508 -0.0925452 0.0597667 0.0320862 -1.6520581 2 O -1.6383330 0.1970143 -0.1040840 0.2310529 -1.9856508 0.0925452 -0.0597667 -0.0320862 -1.6520581 3 O -1.6383330 -0.1970143 0.1040840 -0.2310529 -1.9856508 0.0925452 0.0597667 -0.0320862 -1.6520581 4 O -1.6383330 -0.1970143 -0.1040840 -0.2310529 -1.9856508 -0.0925452 -0.0597667 0.0320862 -1.6520581 5 O -1.6383330 0.1970143 0.1040840 0.2310529 -1.9856508 -0.0925452 0.0597667 0.0320862 -1.6520581 6 O -1.6383330 0.1970143 -0.1040840 0.2310529 -1.9856508 0.0925452 -0.0597667 -0.0320862 -1.6520581 7 O -1.6383330 -0.1970143 0.1040840 -0.2310529 -1.9856508 0.0925452 0.0597667 -0.0320862 -1.6520581 8 O -1.6383330 -0.1970143 -0.1040840 -0.2310529 -1.9856508 -0.0925452 -0.0597667 0.0320862 -1.6520581 9 O -2.0214436 0.0000000 0.1279069 0.0000000 -1.5767561 0.0000000 -0.0012734 0.0000000 -1.6933607 10 O -2.0214436 0.0000000 -0.1279069 0.0000000 -1.5767561 0.0000000 0.0012734 0.0000000 -1.6933607 11 O -2.0214436 0.0000000 0.1279069 0.0000000 -1.5767561 0.0000000 -0.0012734 0.0000000 -1.6933607 12 O -2.0214436 0.0000000 -0.1279069 0.0000000 -1.5767561 0.0000000 0.0012734 0.0000000 -1.6933607 13 O -1.4480660 0.0000000 -0.0026147 0.0000000 -1.5374329 0.0000000 -0.0087573 0.0000000 -2.4096802 14 O -1.4480660 0.0000000 0.0026147 0.0000000 -1.5374329 0.0000000 0.0087573 0.0000000 -2.4096802 15 O -1.4480660 0.0000000 -0.0026147 0.0000000 -1.5374329 0.0000000 -0.0087573 0.0000000 -2.4096802 16 O -1.4480660 0.0000000 0.0026147 0.0000000 -1.5374329 0.0000000 0.0087573 0.0000000 -2.4096802 17 Mg 1.6887121 -0.3320273 -0.1183836 -0.2779579 2.0063508 0.2049783 0.0652549 -0.1217055 2.3166682 18 Mg 1.6887121 -0.3320273 0.1183836 -0.2779579 2.0063508 -0.2049783 -0.0652549 0.1217055 2.3166682 19 Mg 1.6887121 0.3320273 -0.1183836 0.2779579 2.0063508 -0.2049783 0.0652549 0.1217055 2.3166682 20 Mg 1.6887121 0.3320273 0.1183836 0.2779579 2.0063508 0.2049783 -0.0652549 -0.1217055 2.3166682 21 Mg 2.3658140 0.0000000 -0.1106000 0.0000000 2.0826012 0.0000000 0.0730989 0.0000000 1.9706760 22 Mg 2.3658140 0.0000000 0.1106000 0.0000000 2.0826012 0.0000000 -0.0730989 0.0000000 1.9706760 23 Mg 2.3658140 0.0000000 -0.1106000 0.0000000 2.0826012 0.0000000 0.0730989 0.0000000 1.9706760 24 Mg 2.3658140 0.0000000 0.1106000 0.0000000 2.0826012 0.0000000 -0.0730989 0.0000000 1.9706760 25 Ge 2.6916494 0.0000000 -0.0019576 0.0000000 2.9965387 0.0000000 -0.0210690 0.0000000 3.1198129 26 Ge 2.6916494 0.0000000 0.0019576 0.0000000 2.9965387 0.0000000 0.0210690 0.0000000 3.1198129 27 Ge 2.6916494 0.0000000 -0.0019576 0.0000000 2.9965387 0.0000000 -0.0210690 0.0000000 3.1198129 28 Ge 2.6916494 0.0000000 0.0019576 0.0000000 2.9965387 0.0000000 0.0210690 0.0000000 3.1198129 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yxy) -0.00000002 (yxy) -0.00000002 (yyx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 10 ] 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: 0.62, Number of G-points: 289, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 90 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 2.303 ( 0.000 0.000 0.000) 0.000 3.419 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.683 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 0.000) 0.000 6.837 ( 0.000 0.000 0.000) 0.000 7.704 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.227 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.644 ( 0.000 0.000 0.000) 0.000 8.999 ( 0.000 0.000 0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 10.016 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 10.342 ( 0.000 0.000 0.000) 0.000 10.348 ( 0.000 0.000 0.000) 0.000 10.357 ( 0.000 0.000 0.000) 0.000 10.448 ( 0.000 0.000 0.000) 0.000 10.841 ( 0.000 0.000 0.000) 0.000 11.220 ( 0.000 0.000 0.000) 0.000 11.355 ( 0.000 0.000 0.000) 0.000 11.396 ( 0.000 0.000 0.000) 0.000 11.398 ( 0.000 0.000 0.000) 0.000 11.405 ( 0.000 0.000 0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 11.824 ( 0.000 0.000 0.000) 0.000 12.148 ( 0.000 0.000 0.000) 0.000 12.249 ( 0.000 0.000 0.000) 0.000 12.279 ( 0.000 0.000 0.000) 0.000 12.509 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.907 ( 0.000 0.000 0.000) 0.000 12.991 ( 0.000 0.000 0.000) 0.000 13.105 ( 0.000 0.000 0.000) 0.000 13.310 ( 0.000 0.000 0.000) 0.000 13.349 ( 0.000 0.000 0.000) 0.000 13.473 ( 0.000 0.000 0.000) 0.000 13.974 ( 0.000 0.000 0.000) 0.000 14.086 ( 0.000 0.000 0.000) 0.000 14.417 ( 0.000 0.000 0.000) 0.000 14.423 ( 0.000 0.000 0.000) 0.000 14.516 ( 0.000 0.000 0.000) 0.000 14.654 ( 0.000 0.000 0.000) 0.000 14.848 ( 0.000 0.000 0.000) 0.000 15.092 ( 0.000 0.000 0.000) 0.000 15.696 ( 0.000 0.000 0.000) 0.000 19.380 ( 0.000 0.000 0.000) 0.000 19.622 ( 0.000 0.000 0.000) 0.000 20.129 ( 0.000 0.000 0.000) 0.000 20.135 ( 0.000 0.000 0.000) 0.000 20.215 ( 0.000 0.000 0.000) 0.000 20.745 ( 0.000 0.000 0.000) 0.000 20.779 ( 0.000 0.000 0.000) 0.000 21.787 ( 0.000 0.000 0.000) 0.000 21.798 ( 0.000 0.000 0.000) 0.000 21.998 ( 0.000 0.000 0.000) 0.000 22.114 ( 0.000 0.000 0.000) 0.000 22.336 ( 0.000 0.000 0.000) 0.000 22.862 ( 0.000 0.000 0.000) 0.000 22.886 ( 0.000 0.000 0.000) 0.000 22.957 ( 0.000 0.000 0.000) 0.000 23.074 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 36.144 0.000 0.000) 36.144 0.812 ( 41.652 0.000 0.000) 41.652 1.301 ( 65.863 0.000 0.000) 65.863 2.203 ( -10.451 0.000 0.000) 10.451 3.056 ( -30.823 0.000 0.000) 30.823 3.956 ( 0.908 0.000 0.000) 0.908 4.109 ( -3.593 0.000 0.000) 3.593 4.356 ( -30.485 0.000 0.000) 30.485 4.429 ( 9.756 0.000 0.000) 9.756 4.725 ( 4.048 0.000 0.000) 4.048 4.869 ( -0.435 0.000 0.000) 0.435 5.052 ( -3.847 0.000 0.000) 3.847 5.067 ( 21.644 0.000 0.000) 21.644 5.978 ( -0.426 0.000 0.000) 0.426 6.115 ( 7.990 0.000 0.000) 7.990 6.672 ( -6.306 0.000 0.000) 6.306 6.718 ( -6.042 0.000 0.000) 6.042 6.777 ( -5.866 0.000 0.000) 5.866 6.797 ( 9.595 0.000 0.000) 9.595 7.757 ( -11.530 0.000 0.000) 11.530 7.836 ( -6.949 0.000 0.000) 6.949 7.854 ( 2.248 0.000 0.000) 2.248 7.880 ( -3.521 0.000 0.000) 3.521 7.947 ( -12.820 0.000 0.000) 12.820 8.154 ( -0.827 0.000 0.000) 0.827 8.304 ( 0.683 0.000 0.000) 0.683 8.304 ( 5.177 0.000 0.000) 5.177 8.353 ( 5.390 0.000 0.000) 5.390 8.598 ( 5.529 0.000 0.000) 5.529 8.660 ( 1.431 0.000 0.000) 1.431 9.096 ( 7.973 0.000 0.000) 7.973 9.410 ( -1.937 0.000 0.000) 1.937 9.772 ( 17.510 0.000 0.000) 17.510 9.983 ( -2.827 0.000 0.000) 2.827 10.166 ( -3.629 0.000 0.000) 3.629 10.179 ( -0.181 0.000 0.000) 0.181 10.254 ( -3.522 0.000 0.000) 3.522 10.394 ( 3.471 0.000 0.000) 3.471 10.466 ( 5.701 0.000 0.000) 5.701 10.808 ( 0.177 0.000 0.000) 0.177 11.206 ( -11.122 0.000 0.000) 11.122 11.265 ( 1.244 0.000 0.000) 1.244 11.298 ( -1.973 0.000 0.000) 1.973 11.433 ( 5.129 0.000 0.000) 5.129 11.574 ( 9.787 0.000 0.000) 9.787 11.748 ( -7.543 0.000 0.000) 7.543 11.806 ( -1.633 0.000 0.000) 1.633 11.900 ( -11.887 0.000 0.000) 11.887 12.154 ( -8.224 0.000 0.000) 8.224 12.319 ( -11.800 0.000 0.000) 11.800 12.485 ( 0.292 0.000 0.000) 0.292 12.501 ( 10.241 0.000 0.000) 10.241 12.630 ( 5.671 0.000 0.000) 5.671 12.888 ( -1.931 0.000 0.000) 1.931 13.203 ( 15.463 0.000 0.000) 15.463 13.357 ( 0.850 0.000 0.000) 0.850 13.363 ( 5.319 0.000 0.000) 5.319 13.455 ( -1.672 0.000 0.000) 1.672 13.964 ( -6.911 0.000 0.000) 6.911 13.996 ( 1.454 0.000 0.000) 1.454 14.325 ( -11.252 0.000 0.000) 11.252 14.424 ( -0.757 0.000 0.000) 0.757 14.474 ( 4.886 0.000 0.000) 4.886 14.814 ( -3.416 0.000 0.000) 3.416 14.828 ( 10.423 0.000 0.000) 10.423 15.061 ( 2.138 0.000 0.000) 2.138 15.423 ( -1.045 0.000 0.000) 1.045 15.651 ( -4.467 0.000 0.000) 4.467 19.403 ( 2.341 0.000 0.000) 2.341 19.600 ( -2.288 0.000 0.000) 2.288 20.130 ( 0.051 0.000 0.000) 0.051 20.134 ( -0.057 0.000 0.000) 0.057 20.748 ( 0.349 0.000 0.000) 0.349 20.776 ( -0.304 0.000 0.000) 0.304 21.791 ( 0.390 0.000 0.000) 0.390 21.799 ( 0.111 0.000 0.000) 0.111 21.920 ( 0.918 0.000 0.000) 0.918 22.075 ( -3.390 0.000 0.000) 3.390 22.376 ( 3.436 0.000 0.000) 3.436 22.551 ( -1.440 0.000 0.000) 1.440 22.864 ( 0.181 0.000 0.000) 0.181 22.883 ( -0.306 0.000 0.000) 0.306 23.085 ( 1.019 0.000 0.000) 1.019 23.159 ( -0.748 0.000 0.000) 0.748 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 30.765 0.000 0.000) 30.765 1.610 ( 40.486 0.000 0.000) 40.486 1.891 ( -21.631 0.000 0.000) 21.631 2.371 ( -35.935 0.000 0.000) 35.935 2.531 ( 57.828 0.000 0.000) 57.828 3.586 ( -48.154 0.000 0.000) 48.154 3.984 ( 2.007 0.000 0.000) 2.007 4.036 ( -3.386 0.000 0.000) 3.386 4.619 ( 9.645 0.000 0.000) 9.645 4.787 ( -7.128 0.000 0.000) 7.128 4.828 ( 6.164 0.000 0.000) 6.164 4.951 ( -6.172 0.000 0.000) 6.172 5.529 ( 23.208 0.000 0.000) 23.208 5.882 ( -11.500 0.000 0.000) 11.500 6.319 ( 12.181 0.000 0.000) 12.181 6.551 ( -10.902 0.000 0.000) 10.902 6.583 ( -0.894 0.000 0.000) 0.894 6.647 ( -6.332 0.000 0.000) 6.332 7.056 ( 16.516 0.000 0.000) 16.516 7.414 ( -19.681 0.000 0.000) 19.681 7.740 ( -2.420 0.000 0.000) 2.420 7.763 ( -5.331 0.000 0.000) 5.331 7.887 ( 1.375 0.000 0.000) 1.375 7.894 ( 1.091 0.000 0.000) 1.091 8.154 ( 1.503 0.000 0.000) 1.503 8.219 ( -4.593 0.000 0.000) 4.593 8.442 ( 3.273 0.000 0.000) 3.273 8.443 ( 3.778 0.000 0.000) 3.778 8.673 ( 1.980 0.000 0.000) 1.980 8.684 ( 0.590 0.000 0.000) 0.590 9.246 ( 6.804 0.000 0.000) 6.804 9.352 ( -4.154 0.000 0.000) 4.154 9.945 ( -0.134 0.000 0.000) 0.134 9.977 ( -1.434 0.000 0.000) 1.434 10.182 ( 0.590 0.000 0.000) 0.590 10.204 ( -1.760 0.000 0.000) 1.760 10.299 ( 21.148 0.000 0.000) 21.148 10.473 ( 4.110 0.000 0.000) 4.110 10.524 ( -0.241 0.000 0.000) 0.241 10.701 ( -15.452 0.000 0.000) 15.452 11.058 ( 0.906 0.000 0.000) 0.906 11.179 ( -8.282 0.000 0.000) 8.282 11.354 ( 7.707 0.000 0.000) 7.707 11.555 ( -11.458 0.000 0.000) 11.458 11.591 ( 8.336 0.000 0.000) 8.336 11.725 ( -5.973 0.000 0.000) 5.973 11.771 ( 10.401 0.000 0.000) 10.401 11.831 ( 5.617 0.000 0.000) 5.617 11.972 ( -10.122 0.000 0.000) 10.122 12.046 ( -14.045 0.000 0.000) 14.045 12.560 ( 4.602 0.000 0.000) 4.602 12.606 ( 0.823 0.000 0.000) 0.823 12.742 ( 5.392 0.000 0.000) 5.392 12.832 ( -3.821 0.000 0.000) 3.821 13.381 ( 1.600 0.000 0.000) 1.600 13.418 ( -2.043 0.000 0.000) 2.043 13.473 ( 9.933 0.000 0.000) 9.933 13.489 ( 6.057 0.000 0.000) 6.057 13.842 ( -3.225 0.000 0.000) 3.225 13.929 ( -8.933 0.000 0.000) 8.933 14.240 ( 3.745 0.000 0.000) 3.745 14.356 ( -5.955 0.000 0.000) 5.955 14.593 ( 6.842 0.000 0.000) 6.842 14.721 ( -6.002 0.000 0.000) 6.002 15.004 ( 7.228 0.000 0.000) 7.228 15.088 ( -0.912 0.000 0.000) 0.912 15.432 ( 3.039 0.000 0.000) 3.039 15.537 ( -6.654 0.000 0.000) 6.654 19.464 ( 3.754 0.000 0.000) 3.754 19.539 ( -3.721 0.000 0.000) 3.721 20.131 ( 0.086 0.000 0.000) 0.086 20.133 ( -0.090 0.000 0.000) 0.090 20.757 ( 0.543 0.000 0.000) 0.543 20.768 ( -0.515 0.000 0.000) 0.515 21.798 ( 0.285 0.000 0.000) 0.285 21.801 ( 0.021 0.000 0.000) 0.021 21.950 ( 2.224 0.000 0.000) 2.224 22.005 ( -3.418 0.000 0.000) 3.418 22.448 ( 3.632 0.000 0.000) 3.632 22.510 ( -2.728 0.000 0.000) 2.728 22.869 ( 0.325 0.000 0.000) 0.325 22.876 ( -0.395 0.000 0.000) 0.395 23.110 ( 1.482 0.000 0.000) 1.482 23.138 ( -1.322 0.000 0.000) 1.322 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 38.461 0.000) 38.461 0.789 ( 0.000 38.723 0.000) 38.723 1.479 ( 0.000 69.687 0.000) 69.687 2.599 ( 0.000 26.044 0.000) 26.044 3.439 ( 0.000 3.247 0.000) 3.247 4.118 ( 0.000 -2.946 0.000) 2.946 4.193 ( 0.000 21.032 0.000) 21.032 4.271 ( 0.000 -2.685 0.000) 2.685 4.651 ( 0.000 -4.706 0.000) 4.706 4.753 ( 0.000 -5.022 0.000) 5.022 4.813 ( 0.000 4.678 0.000) 4.678 4.890 ( 0.000 12.211 0.000) 12.211 5.310 ( 0.000 16.703 0.000) 16.703 5.755 ( 0.000 -18.390 0.000) 18.390 6.065 ( 0.000 2.093 0.000) 2.093 6.532 ( 0.000 -12.837 0.000) 12.837 6.797 ( 0.000 5.207 0.000) 5.207 6.895 ( 0.000 17.706 0.000) 17.706 7.079 ( 0.000 11.777 0.000) 11.777 7.477 ( 0.000 -25.670 0.000) 25.670 7.639 ( 0.000 -6.078 0.000) 6.078 7.846 ( 0.000 0.270 0.000) 0.270 7.972 ( 0.000 -9.597 0.000) 9.597 8.141 ( 0.000 0.235 0.000) 0.235 8.227 ( 0.000 4.542 0.000) 4.542 8.229 ( 0.000 -0.681 0.000) 0.681 8.252 ( 0.000 -5.305 0.000) 5.305 8.393 ( 0.000 6.925 0.000) 6.925 8.535 ( 0.000 2.133 0.000) 2.133 8.915 ( 0.000 -7.967 0.000) 7.967 9.189 ( 0.000 29.346 0.000) 29.346 9.222 ( 0.000 -10.176 0.000) 10.176 9.856 ( 0.000 15.343 0.000) 15.343 10.026 ( 0.000 2.223 0.000) 2.223 10.160 ( 0.000 -2.533 0.000) 2.533 10.231 ( 0.000 4.175 0.000) 4.175 10.305 ( 0.000 -0.298 0.000) 0.298 10.418 ( 0.000 4.207 0.000) 4.207 10.525 ( 0.000 6.029 0.000) 6.029 10.525 ( 0.000 9.104 0.000) 9.104 10.786 ( 0.000 -5.251 0.000) 5.251 11.216 ( 0.000 -1.393 0.000) 1.393 11.310 ( 0.000 -3.642 0.000) 3.642 11.320 ( 0.000 -7.399 0.000) 7.399 11.437 ( 0.000 3.239 0.000) 3.239 11.740 ( 0.000 -5.655 0.000) 5.655 11.808 ( 0.000 -1.974 0.000) 1.974 11.925 ( 0.000 -11.524 0.000) 11.524 12.204 ( 0.000 -6.785 0.000) 6.785 12.396 ( 0.000 5.060 0.000) 5.060 12.416 ( 0.000 4.694 0.000) 4.694 12.457 ( 0.000 -5.179 0.000) 5.179 12.584 ( 0.000 3.671 0.000) 3.671 12.841 ( 0.000 -10.924 0.000) 10.924 13.039 ( 0.000 -6.074 0.000) 6.074 13.219 ( 0.000 6.094 0.000) 6.094 13.233 ( 0.000 -7.908 0.000) 7.908 13.386 ( 0.000 -8.000 0.000) 8.000 13.992 ( 0.000 -7.164 0.000) 7.164 13.996 ( 0.000 2.446 0.000) 2.446 14.135 ( 0.000 -16.194 0.000) 16.194 14.409 ( 0.000 -0.765 0.000) 0.765 14.565 ( 0.000 3.682 0.000) 3.682 14.798 ( 0.000 -4.986 0.000) 4.986 14.928 ( 0.000 15.373 0.000) 15.373 15.200 ( 0.000 9.032 0.000) 9.032 15.636 ( 0.000 0.870 0.000) 0.870 15.674 ( 0.000 -1.931 0.000) 1.931 19.389 ( 0.000 0.871 0.000) 0.871 19.628 ( 0.000 0.630 0.000) 0.630 20.073 ( 0.000 -4.912 0.000) 4.912 20.083 ( 0.000 -10.051 0.000) 10.051 20.872 ( 0.000 11.641 0.000) 11.641 20.933 ( 0.000 12.019 0.000) 12.019 21.777 ( 0.000 -1.000 0.000) 1.000 21.806 ( 0.000 0.781 0.000) 0.781 22.030 ( 0.000 3.143 0.000) 3.143 22.109 ( 0.000 -0.527 0.000) 0.527 22.366 ( 0.000 2.325 0.000) 2.325 22.846 ( 0.000 -1.615 0.000) 1.615 22.871 ( 0.000 -1.384 0.000) 1.384 22.956 ( 0.000 -0.070 0.000) 0.070 23.055 ( 0.000 -1.802 0.000) 1.802 23.100 ( 0.000 -1.755 0.000) 1.755 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 29.700 26.296 0.000) 39.668 1.143 ( 27.887 28.100 0.000) 39.589 1.890 ( 38.070 49.835 0.000) 62.713 2.496 ( -10.711 25.357 0.000) 27.526 3.114 ( -28.307 6.546 0.000) 29.054 3.998 ( -13.171 -4.599 0.000) 13.951 4.176 ( 0.572 18.848 0.000) 18.857 4.381 ( 7.827 -4.597 0.000) 9.077 4.569 ( -10.145 8.001 0.000) 12.921 4.771 ( -1.614 6.675 0.000) 6.868 4.882 ( -0.490 3.939 0.000) 3.969 4.952 ( 14.601 -4.507 0.000) 15.281 5.293 ( 0.842 15.654 0.000) 15.676 5.767 ( 0.599 -17.892 0.000) 17.902 6.117 ( 4.751 -0.456 0.000) 4.773 6.473 ( -5.694 -13.161 0.000) 14.340 6.725 ( -5.125 5.971 0.000) 7.869 6.977 ( -8.672 6.980 0.000) 11.132 6.979 ( 7.939 16.129 0.000) 17.977 7.514 ( 3.033 -15.562 0.000) 15.855 7.712 ( -1.762 -7.217 0.000) 7.429 7.808 ( -5.103 -2.759 0.000) 5.801 7.923 ( -3.139 -4.093 0.000) 5.158 8.048 ( -8.172 6.639 0.000) 10.529 8.131 ( -2.495 -4.894 0.000) 5.493 8.168 ( -2.072 3.216 0.000) 3.826 8.242 ( 2.348 -7.701 0.000) 8.051 8.446 ( 2.694 5.400 0.000) 6.035 8.605 ( 5.804 1.800 0.000) 6.076 9.027 ( 2.015 8.632 0.000) 8.864 9.113 ( 1.972 15.575 0.000) 15.700 9.310 ( 6.315 -7.101 0.000) 9.503 9.924 ( 6.842 9.840 0.000) 11.985 9.979 ( -2.575 0.256 0.000) 2.588 10.115 ( -2.367 -1.471 0.000) 2.787 10.250 ( 1.545 5.743 0.000) 5.947 10.338 ( -3.606 6.589 0.000) 7.511 10.453 ( 3.208 4.445 0.000) 5.482 10.470 ( 4.027 1.759 0.000) 4.395 10.748 ( 2.104 -3.733 0.000) 4.285 10.992 ( 13.837 -14.364 0.000) 19.944 11.242 ( -3.347 -2.791 0.000) 4.358 11.255 ( 1.059 -1.077 0.000) 1.511 11.298 ( -0.860 -12.393 0.000) 12.423 11.398 ( -1.392 0.972 0.000) 1.698 11.729 ( -7.739 -3.216 0.000) 8.381 11.812 ( -4.682 -3.160 0.000) 5.649 11.860 ( 7.056 -3.877 0.000) 8.051 12.286 ( -6.382 8.551 0.000) 10.670 12.360 ( 8.827 -11.150 0.000) 14.222 12.362 ( -3.295 1.296 0.000) 3.541 12.464 ( -4.713 0.471 0.000) 4.736 12.645 ( 3.032 0.443 0.000) 3.064 12.687 ( -2.506 -9.488 0.000) 9.813 13.169 ( 5.219 -11.269 0.000) 12.419 13.303 ( 6.925 -5.953 0.000) 9.132 13.345 ( 10.936 4.935 0.000) 11.998 13.369 ( -1.700 -8.025 0.000) 8.203 13.932 ( -5.372 -5.912 0.000) 7.988 14.024 ( 1.925 2.848 0.000) 3.437 14.116 ( -2.030 -15.082 0.000) 15.218 14.398 ( -2.317 -1.729 0.000) 2.891 14.517 ( -2.135 4.273 0.000) 4.776 14.756 ( -4.194 -3.714 0.000) 5.602 15.016 ( 7.126 12.468 0.000) 14.361 15.149 ( -1.628 8.337 0.000) 8.495 15.565 ( -4.656 5.610 0.000) 7.290 15.633 ( -4.065 -1.579 0.000) 4.361 19.411 ( 2.286 0.823 0.000) 2.430 19.606 ( -2.231 0.679 0.000) 2.332 20.075 ( 0.209 -4.868 0.000) 4.873 20.088 ( 0.179 -7.567 0.000) 7.569 20.874 ( 0.251 11.604 0.000) 11.606 20.912 ( -1.364 12.459 0.000) 12.533 21.784 ( 0.703 -0.820 0.000) 1.080 21.807 ( 0.074 0.738 0.000) 0.742 21.998 ( -1.947 4.500 0.000) 4.903 22.074 ( -2.988 -0.117 0.000) 2.990 22.407 ( 3.683 2.446 0.000) 4.421 22.735 ( -10.690 8.016 0.000) 13.361 22.855 ( -0.166 -0.437 0.000) 0.468 22.869 ( -0.238 -1.314 0.000) 1.336 23.065 ( 0.968 -1.862 0.000) 2.099 23.129 ( 0.135 -2.502 0.000) 2.505 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 27.525 24.477 0.000) 36.834 1.770 ( 35.008 15.668 0.000) 38.354 2.189 ( -20.081 24.421 0.000) 31.617 2.476 ( -33.723 9.561 0.000) 35.052 2.753 ( 44.690 23.424 0.000) 50.457 3.549 ( -33.774 2.380 0.000) 33.858 4.221 ( 4.146 20.354 0.000) 20.772 4.350 ( -9.559 22.428 0.000) 24.380 4.544 ( 8.608 -7.057 0.000) 11.132 4.697 ( -6.564 -6.155 0.000) 8.999 4.931 ( 5.309 7.251 0.000) 8.987 5.039 ( -4.197 5.860 0.000) 7.208 5.493 ( 16.160 -1.992 0.000) 16.283 5.728 ( -6.425 -13.704 0.000) 15.136 6.219 ( 5.447 -7.040 0.000) 8.901 6.340 ( -7.124 -12.188 0.000) 14.117 6.682 ( 2.090 7.744 0.000) 8.021 6.799 ( -8.720 6.298 0.000) 10.757 7.191 ( 13.506 12.248 0.000) 18.232 7.474 ( -13.520 5.363 0.000) 14.545 7.600 ( 1.135 -8.589 0.000) 8.663 7.676 ( -6.188 -4.774 0.000) 7.815 7.901 ( 0.290 -1.066 0.000) 1.105 7.932 ( -3.372 2.561 0.000) 4.234 8.148 ( 1.197 -5.536 0.000) 5.664 8.156 ( -0.010 -0.492 0.000) 0.492 8.350 ( 7.279 -7.225 0.000) 10.256 8.455 ( -2.579 -1.113 0.000) 2.809 8.738 ( 8.208 7.865 0.000) 11.368 8.910 ( -8.647 17.341 0.000) 19.377 9.272 ( 7.848 1.413 0.000) 7.974 9.366 ( -1.292 0.051 0.000) 1.293 9.948 ( -0.114 -0.152 0.000) 0.190 9.975 ( -2.145 -0.769 0.000) 2.279 10.202 ( 6.837 2.206 0.000) 7.184 10.274 ( -2.841 6.291 0.000) 6.903 10.338 ( 11.388 5.348 0.000) 12.582 10.514 ( -0.667 0.743 0.000) 0.999 10.522 ( 3.605 3.512 0.000) 5.033 10.669 ( -11.228 -2.753 0.000) 11.560 11.039 ( 1.435 -2.429 0.000) 2.821 11.145 ( -7.917 -4.120 0.000) 8.925 11.320 ( 5.895 -9.660 0.000) 11.316 11.351 ( 2.279 -14.004 0.000) 14.188 11.419 ( 3.435 -4.363 0.000) 5.553 11.555 ( -9.479 -1.325 0.000) 9.571 11.825 ( 5.099 -0.570 0.000) 5.130 11.910 ( -1.562 -1.258 0.000) 2.005 12.169 ( -3.750 11.801 0.000) 12.382 12.204 ( -7.887 11.682 0.000) 14.095 12.493 ( 4.701 -5.413 0.000) 7.170 12.508 ( 4.563 -8.854 0.000) 9.961 12.662 ( -0.552 -5.406 0.000) 5.434 12.674 ( -1.241 -10.586 0.000) 10.658 13.256 ( 3.983 -10.145 0.000) 10.899 13.323 ( -2.916 -8.610 0.000) 9.090 13.465 ( 8.174 -2.625 0.000) 8.585 13.525 ( 4.732 2.203 0.000) 5.220 13.842 ( -1.095 -3.506 0.000) 3.673 13.946 ( -8.538 -2.238 0.000) 8.827 14.164 ( 6.472 -4.806 0.000) 8.061 14.303 ( -6.888 -3.338 0.000) 7.655 14.543 ( 4.380 -0.146 0.000) 4.382 14.651 ( -6.097 -2.522 0.000) 6.598 15.144 ( 4.957 9.329 0.000) 10.564 15.172 ( 1.929 5.997 0.000) 6.299 15.498 ( -1.459 4.623 0.000) 4.848 15.537 ( -4.818 0.148 0.000) 4.821 19.472 ( 3.776 0.771 0.000) 3.854 19.547 ( -3.694 0.752 0.000) 3.770 20.080 ( 0.333 -4.873 0.000) 4.885 20.087 ( -0.246 -5.425 0.000) 5.431 20.881 ( 0.450 11.573 0.000) 11.582 20.892 ( -0.719 11.822 0.000) 11.844 21.799 ( 0.689 -0.180 0.000) 0.712 21.807 ( -0.163 0.486 0.000) 0.513 21.983 ( 0.532 2.846 0.000) 2.895 22.015 ( -2.618 0.916 0.000) 2.774 22.490 ( 4.637 3.325 0.000) 5.706 22.587 ( -5.637 5.514 0.000) 7.886 22.857 ( 0.244 -0.984 0.000) 1.013 22.863 ( -0.311 -1.163 0.000) 1.204 23.089 ( 1.434 -1.970 0.000) 2.436 23.116 ( -1.202 -2.086 0.000) 2.408 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.000 40.970 0.000) 40.970 1.602 ( 0.000 39.487 0.000) 39.487 2.842 ( 0.000 60.433 0.000) 60.433 3.229 ( 0.000 30.640 0.000) 30.640 3.583 ( 0.000 10.655 0.000) 10.655 4.040 ( 0.000 -4.103 0.000) 4.103 4.132 ( 0.000 -11.726 0.000) 11.726 4.558 ( 0.000 -2.605 0.000) 2.605 4.678 ( 0.000 -1.681 0.000) 1.681 4.700 ( 0.000 25.149 0.000) 25.149 4.791 ( 0.000 -13.401 0.000) 13.401 5.178 ( 0.000 13.068 0.000) 13.068 5.429 ( 0.000 -5.530 0.000) 5.530 5.683 ( 0.000 16.239 0.000) 16.239 6.065 ( 0.000 -3.392 0.000) 3.392 6.273 ( 0.000 -12.024 0.000) 12.024 6.976 ( 0.000 -19.238 0.000) 19.238 6.978 ( 0.000 12.337 0.000) 12.337 7.257 ( 0.000 4.501 0.000) 4.501 7.360 ( 0.000 23.926 0.000) 23.926 7.466 ( 0.000 -10.133 0.000) 10.133 7.831 ( 0.000 0.230 0.000) 0.230 7.836 ( 0.000 -2.422 0.000) 2.422 7.987 ( 0.000 -9.197 0.000) 9.197 8.075 ( 0.000 -8.900 0.000) 8.900 8.329 ( 0.000 4.444 0.000) 4.444 8.456 ( 0.000 0.088 0.000) 0.088 8.500 ( 0.000 18.991 0.000) 18.991 8.636 ( 0.000 6.781 0.000) 6.781 8.688 ( 0.000 -13.181 0.000) 13.181 9.045 ( 0.000 -7.775 0.000) 7.775 9.771 ( 0.000 25.387 0.000) 25.387 9.939 ( 0.000 -6.197 0.000) 6.197 10.136 ( 0.000 8.553 0.000) 8.553 10.312 ( 0.000 1.965 0.000) 1.965 10.316 ( 0.000 15.103 0.000) 15.103 10.364 ( 0.000 4.054 0.000) 4.054 10.508 ( 0.000 4.923 0.000) 4.923 10.557 ( 0.000 -2.770 0.000) 2.770 10.643 ( 0.000 -5.699 0.000) 5.699 10.808 ( 0.000 15.756 0.000) 15.756 10.988 ( 0.000 -18.505 0.000) 18.505 11.206 ( 0.000 -6.436 0.000) 6.436 11.235 ( 0.000 -2.181 0.000) 2.181 11.523 ( 0.000 4.999 0.000) 4.999 11.601 ( 0.000 -7.349 0.000) 7.349 11.731 ( 0.000 -4.997 0.000) 4.997 11.780 ( 0.000 -1.871 0.000) 1.871 12.087 ( 0.000 -1.966 0.000) 1.966 12.282 ( 0.000 -11.811 0.000) 11.811 12.405 ( 0.000 -3.851 0.000) 3.851 12.479 ( 0.000 -4.582 0.000) 4.582 12.610 ( 0.000 -5.697 0.000) 5.697 12.729 ( 0.000 9.894 0.000) 9.894 12.891 ( 0.000 -6.988 0.000) 6.988 12.992 ( 0.000 -14.060 0.000) 14.060 13.161 ( 0.000 -13.435 0.000) 13.435 13.346 ( 0.000 6.197 0.000) 6.197 13.818 ( 0.000 -13.681 0.000) 13.681 13.853 ( 0.000 -5.840 0.000) 5.840 14.113 ( 0.000 7.600 0.000) 7.600 14.389 ( 0.000 -0.990 0.000) 0.990 14.623 ( 0.000 1.095 0.000) 1.095 14.656 ( 0.000 -8.070 0.000) 8.070 15.204 ( 0.000 11.111 0.000) 11.111 15.401 ( 0.000 9.307 0.000) 9.307 15.627 ( 0.000 -2.456 0.000) 2.456 15.658 ( 0.000 1.033 0.000) 1.033 19.417 ( 0.000 1.933 0.000) 1.933 19.651 ( 0.000 1.631 0.000) 1.631 19.870 ( 0.000 -9.789 0.000) 9.789 19.954 ( 0.000 -5.912 0.000) 5.912 21.185 ( 0.000 17.415 0.000) 17.415 21.195 ( 0.000 12.339 0.000) 12.339 21.744 ( 0.000 -2.216 0.000) 2.216 21.826 ( 0.000 1.027 0.000) 1.027 22.096 ( 0.000 -0.583 0.000) 0.583 22.130 ( 0.000 6.554 0.000) 6.554 22.396 ( 0.000 -0.345 0.000) 0.345 22.790 ( 0.000 -4.000 0.000) 4.000 22.839 ( 0.000 -1.227 0.000) 1.227 22.955 ( 0.000 0.017 0.000) 0.017 23.005 ( 0.000 -2.885 0.000) 2.885 23.053 ( 0.000 -2.579 0.000) 2.579 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 17.983 36.401 0.000) 40.601 1.786 ( 17.752 33.607 0.000) 38.008 2.992 ( 12.168 49.608 0.000) 51.079 3.085 ( -14.254 27.222 0.000) 30.728 3.358 ( -18.124 18.716 0.000) 26.053 3.986 ( -6.088 3.106 0.000) 6.835 4.189 ( 4.972 -13.063 0.000) 13.977 4.507 ( -4.547 -5.823 0.000) 7.388 4.618 ( 0.734 16.127 0.000) 16.144 4.837 ( 4.522 -13.147 0.000) 13.903 4.895 ( 10.672 2.090 0.000) 10.874 5.115 ( -6.788 15.425 0.000) 16.853 5.449 ( 1.917 -4.670 0.000) 5.048 5.638 ( -4.029 15.066 0.000) 15.595 6.069 ( 0.335 -4.602 0.000) 4.614 6.210 ( -5.372 -11.627 0.000) 12.808 6.928 ( -2.963 -8.037 0.000) 8.566 6.933 ( -3.289 13.977 0.000) 14.358 7.359 ( 7.022 -0.981 0.000) 7.091 7.393 ( 3.105 20.551 0.000) 20.784 7.533 ( 5.646 -9.088 0.000) 10.699 7.785 ( -4.923 1.208 0.000) 5.069 7.839 ( 0.708 -1.067 0.000) 1.281 7.965 ( -3.467 -11.433 0.000) 11.947 8.044 ( 0.294 -4.495 0.000) 4.505 8.226 ( -6.999 1.349 0.000) 7.128 8.316 ( -9.496 12.228 0.000) 15.482 8.482 ( -0.642 -0.900 0.000) 1.106 8.720 ( 8.584 7.895 0.000) 11.663 8.940 ( 15.748 -6.427 0.000) 17.009 9.150 ( 9.034 -8.722 0.000) 12.557 9.623 ( -13.456 22.796 0.000) 26.472 9.938 ( -0.216 -5.687 0.000) 5.691 10.025 ( -5.986 4.804 0.000) 7.675 10.243 ( -1.330 7.706 0.000) 7.820 10.418 ( 5.187 10.762 0.000) 11.947 10.496 ( 1.064 9.055 0.000) 9.117 10.540 ( 1.951 1.824 0.000) 2.671 10.545 ( 3.409 4.463 0.000) 5.616 10.704 ( 6.962 -7.301 0.000) 10.088 10.817 ( -0.020 4.242 0.000) 4.242 10.961 ( -2.182 -18.267 0.000) 18.396 11.160 ( -3.814 -5.805 0.000) 6.946 11.225 ( -1.443 -2.249 0.000) 2.672 11.448 ( -3.375 2.362 0.000) 4.119 11.652 ( -5.775 -3.039 0.000) 6.525 11.749 ( 9.226 -4.769 0.000) 10.385 11.786 ( -0.129 -0.560 0.000) 0.574 12.144 ( 4.107 -7.075 0.000) 8.181 12.240 ( -2.715 -12.035 0.000) 12.338 12.403 ( 0.627 0.766 0.000) 0.990 12.498 ( -0.731 -2.958 0.000) 3.047 12.568 ( -1.426 0.209 0.000) 1.441 12.666 ( -4.415 2.484 0.000) 5.066 12.909 ( 1.874 -11.551 0.000) 11.702 13.119 ( 3.478 -12.595 0.000) 13.067 13.152 ( 5.744 -9.858 0.000) 11.409 13.433 ( 7.510 3.620 0.000) 8.337 13.798 ( -5.073 -5.877 0.000) 7.764 13.821 ( -0.105 -13.092 0.000) 13.092 14.126 ( 1.317 6.945 0.000) 7.069 14.366 ( -2.992 -1.223 0.000) 3.233 14.590 ( -2.410 1.770 0.000) 2.991 14.642 ( -1.309 -6.833 0.000) 6.957 15.250 ( 4.022 9.636 0.000) 10.442 15.351 ( -3.478 9.830 0.000) 10.427 15.597 ( -2.779 -1.702 0.000) 3.259 15.635 ( -2.362 1.894 0.000) 3.027 19.439 ( 2.247 1.975 0.000) 2.992 19.630 ( -2.136 1.692 0.000) 2.725 19.895 ( 2.097 -9.516 0.000) 9.744 19.955 ( -0.015 -6.124 0.000) 6.124 21.185 ( 0.052 17.157 0.000) 17.157 21.193 ( -0.229 13.250 0.000) 13.252 21.755 ( 1.119 -2.042 0.000) 2.329 21.825 ( -0.241 0.777 0.000) 0.814 22.072 ( -1.845 0.180 0.000) 1.853 22.107 ( -2.099 6.506 0.000) 6.836 22.441 ( 4.124 -0.181 0.000) 4.128 22.763 ( -3.450 -3.368 0.000) 4.821 22.839 ( -0.036 -1.095 0.000) 1.096 22.884 ( -4.153 2.329 0.000) 4.761 23.013 ( 0.796 -2.997 0.000) 3.100 23.067 ( 0.261 -3.231 0.000) 3.241 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 25.152 25.683 0.000) 35.947 2.236 ( 26.767 28.201 0.000) 38.882 2.711 ( -23.050 23.196 0.000) 32.701 2.784 ( -27.087 20.204 0.000) 33.792 3.438 ( 19.450 38.125 0.000) 42.800 3.785 ( -14.745 19.147 0.000) 24.167 4.301 ( 6.122 -14.254 0.000) 15.514 4.411 ( -5.162 -11.851 0.000) 12.926 4.702 ( 7.914 18.438 0.000) 20.065 4.900 ( -8.393 8.806 0.000) 12.165 4.964 ( 1.977 -1.677 0.000) 2.593 5.018 ( 0.892 -7.867 0.000) 7.918 5.497 ( 2.927 -0.344 0.000) 2.947 5.559 ( -3.570 8.836 0.000) 9.530 6.080 ( 0.970 -6.132 0.000) 6.209 6.117 ( -3.331 -8.432 0.000) 9.066 6.890 ( -0.944 5.075 0.000) 5.162 6.890 ( -0.959 12.548 0.000) 12.585 7.458 ( 2.640 7.940 0.000) 8.368 7.459 ( 2.899 -5.207 0.000) 5.959 7.598 ( 0.988 4.839 0.000) 4.939 7.661 ( -6.117 5.613 0.000) 8.302 7.887 ( 4.346 2.009 0.000) 4.788 7.965 ( 1.755 -7.848 0.000) 8.042 8.018 ( -2.137 0.197 0.000) 2.146 8.104 ( -5.879 -4.573 0.000) 7.448 8.260 ( 4.654 2.189 0.000) 5.143 8.399 ( -7.257 -2.530 0.000) 7.686 8.956 ( 15.093 10.981 0.000) 18.665 9.177 ( 4.640 -2.212 0.000) 5.141 9.289 ( 2.906 -8.388 0.000) 8.877 9.327 ( -12.920 11.645 0.000) 17.394 9.932 ( -0.143 -2.708 0.000) 2.712 9.947 ( -2.132 1.366 0.000) 2.532 10.287 ( 5.778 4.674 0.000) 7.432 10.417 ( -6.181 5.225 0.000) 8.093 10.525 ( 6.305 11.194 0.000) 12.848 10.589 ( 1.632 3.541 0.000) 3.899 10.601 ( 1.350 5.170 0.000) 5.344 10.675 ( -7.862 8.693 0.000) 11.720 10.925 ( 6.002 -8.714 0.000) 10.581 10.939 ( 0.602 -14.583 0.000) 14.596 11.095 ( -0.873 -9.372 0.000) 9.413 11.165 ( -4.773 -4.589 0.000) 6.621 11.439 ( 2.691 2.077 0.000) 3.399 11.533 ( -6.179 -0.563 0.000) 6.205 11.805 ( 2.358 -1.585 0.000) 2.841 11.845 ( -0.027 -3.615 0.000) 3.615 12.196 ( 1.369 -9.018 0.000) 9.121 12.214 ( -0.557 -11.326 0.000) 11.339 12.458 ( 4.594 4.001 0.000) 6.092 12.488 ( 2.089 3.628 0.000) 4.186 12.545 ( -2.584 0.215 0.000) 2.593 12.577 ( -4.896 -0.975 0.000) 4.992 12.971 ( 4.381 -16.239 0.000) 16.820 13.061 ( -4.456 -16.188 0.000) 16.790 13.381 ( 11.914 -4.769 0.000) 12.833 13.541 ( -1.050 -0.758 0.000) 1.295 13.714 ( 0.212 -6.593 0.000) 6.596 13.789 ( -3.674 -9.668 0.000) 10.343 14.171 ( 3.687 4.107 0.000) 5.519 14.271 ( -6.034 0.188 0.000) 6.037 14.569 ( 0.678 0.670 0.000) 0.953 14.605 ( -2.413 -3.115 0.000) 3.940 15.320 ( 2.011 7.456 0.000) 7.722 15.321 ( 0.426 8.011 0.000) 8.022 15.547 ( -1.145 0.703 0.000) 1.344 15.575 ( -3.228 2.552 0.000) 4.115 19.499 ( 3.721 1.955 0.000) 4.203 19.573 ( -3.600 1.835 0.000) 4.041 19.933 ( 1.488 -8.268 0.000) 8.400 19.951 ( -0.464 -6.892 0.000) 6.907 21.187 ( 0.074 16.343 0.000) 16.343 21.189 ( -0.150 14.953 0.000) 14.954 21.784 ( 1.675 -1.417 0.000) 2.194 21.813 ( -1.122 -0.220 0.000) 1.143 22.048 ( -0.303 2.496 0.000) 2.515 22.064 ( -1.866 5.226 0.000) 5.549 22.539 ( 5.728 0.257 0.000) 5.733 22.657 ( -6.346 -0.040 0.000) 6.347 22.839 ( 0.055 -0.678 0.000) 0.680 22.844 ( -0.667 0.363 0.000) 0.759 23.033 ( 1.267 -3.211 0.000) 3.452 23.057 ( -1.059 -3.330 0.000) 3.494 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 0.000 37.526 0.000) 37.526 2.461 ( 0.000 41.778 0.000) 41.778 3.662 ( 0.000 -10.729 0.000) 10.729 3.686 ( 0.000 9.209 0.000) 9.209 3.862 ( 0.000 15.450 0.000) 15.450 3.965 ( 0.000 -2.963 0.000) 2.963 4.001 ( 0.000 23.808 0.000) 23.808 4.195 ( 0.000 -30.787 0.000) 30.787 4.685 ( 0.000 4.368 0.000) 4.368 4.752 ( 0.000 16.157 0.000) 16.157 5.098 ( 0.000 9.436 0.000) 9.436 5.338 ( 0.000 0.758 0.000) 0.758 5.505 ( 0.000 7.814 0.000) 7.814 5.873 ( 0.000 2.606 0.000) 2.606 5.906 ( 0.000 -11.173 0.000) 11.173 6.055 ( 0.000 -8.374 0.000) 8.374 6.807 ( 0.000 3.251 0.000) 3.251 7.222 ( 0.000 -10.541 0.000) 10.541 7.265 ( 0.000 13.136 0.000) 13.136 7.293 ( 0.000 -1.449 0.000) 1.449 7.582 ( 0.000 -2.478 0.000) 2.478 7.693 ( 0.000 -17.159 0.000) 17.159 7.918 ( 0.000 11.115 0.000) 11.115 8.022 ( 0.000 3.220 0.000) 3.220 8.084 ( 0.000 20.590 0.000) 20.590 8.400 ( 0.000 2.483 0.000) 2.483 8.407 ( 0.000 -13.114 0.000) 13.114 8.438 ( 0.000 -1.397 0.000) 1.397 8.773 ( 0.000 5.543 0.000) 5.543 8.866 ( 0.000 -9.026 0.000) 9.026 8.991 ( 0.000 27.747 0.000) 27.747 9.778 ( 0.000 -6.607 0.000) 6.607 10.160 ( 0.000 11.729 0.000) 11.729 10.167 ( 0.000 -22.223 0.000) 22.223 10.184 ( 0.000 -16.858 0.000) 16.858 10.409 ( 0.000 17.477 0.000) 17.477 10.469 ( 0.000 -4.714 0.000) 4.714 10.527 ( 0.000 4.693 0.000) 4.693 10.671 ( 0.000 -7.825 0.000) 7.825 10.704 ( 0.000 13.652 0.000) 13.652 10.756 ( 0.000 13.346 0.000) 13.346 11.045 ( 0.000 -8.805 0.000) 8.805 11.141 ( 0.000 13.648 0.000) 13.648 11.148 ( 0.000 -6.492 0.000) 6.492 11.455 ( 0.000 -4.823 0.000) 4.823 11.650 ( 0.000 7.487 0.000) 7.487 11.652 ( 0.000 -1.385 0.000) 1.385 11.784 ( 0.000 -1.072 0.000) 1.072 11.986 ( 0.000 -16.034 0.000) 16.034 12.160 ( 0.000 8.592 0.000) 8.592 12.187 ( 0.000 -16.936 0.000) 16.936 12.327 ( 0.000 0.478 0.000) 0.478 12.649 ( 0.000 3.530 0.000) 3.530 12.698 ( 0.000 -13.996 0.000) 13.996 12.778 ( 0.000 -3.935 0.000) 3.935 12.844 ( 0.000 -16.325 0.000) 16.325 12.973 ( 0.000 12.794 0.000) 12.794 13.478 ( 0.000 6.610 0.000) 6.610 13.538 ( 0.000 -13.624 0.000) 13.624 13.741 ( 0.000 -5.446 0.000) 5.446 14.296 ( 0.000 9.327 0.000) 9.327 14.376 ( 0.000 -0.100 0.000) 0.100 14.496 ( 0.000 -6.672 0.000) 6.672 14.595 ( 0.000 -3.726 0.000) 3.726 15.390 ( 0.000 7.069 0.000) 7.069 15.562 ( 0.000 5.972 0.000) 5.972 15.574 ( 0.000 -2.726 0.000) 2.726 15.671 ( 0.000 -0.008 0.000) 0.008 19.471 ( 0.000 3.346 0.000) 3.346 19.690 ( 0.000 -7.521 0.000) 7.521 19.695 ( 0.000 2.603 0.000) 2.603 19.843 ( 0.000 -4.717 0.000) 4.717 21.421 ( 0.000 9.283 0.000) 9.283 21.543 ( 0.000 15.942 0.000) 15.942 21.682 ( 0.000 -3.851 0.000) 3.851 21.840 ( 0.000 -0.119 0.000) 0.119 22.095 ( 0.000 0.985 0.000) 0.985 22.297 ( 0.000 9.269 0.000) 9.269 22.324 ( 0.000 -6.523 0.000) 6.523 22.674 ( 0.000 -7.247 0.000) 7.247 22.838 ( 0.000 1.164 0.000) 1.164 22.941 ( 0.000 -3.120 0.000) 3.120 22.959 ( 0.000 0.368 0.000) 0.368 23.004 ( 0.000 -1.994 0.000) 1.994 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 9.721 34.536 0.000) 35.878 2.579 ( 11.768 39.423 0.000) 41.142 3.505 ( -15.920 13.097 0.000) 20.615 3.629 ( -12.088 14.893 0.000) 19.181 3.746 ( 0.921 -9.761 0.000) 9.804 3.986 ( 0.379 -6.536 0.000) 6.547 4.102 ( 6.382 22.942 0.000) 23.813 4.232 ( 3.370 -30.209 0.000) 30.396 4.665 ( -1.823 -0.778 0.000) 1.982 4.678 ( -6.399 15.384 0.000) 16.662 5.090 ( -1.159 6.206 0.000) 6.313 5.270 ( -6.190 -0.909 0.000) 6.256 5.573 ( 5.790 9.891 0.000) 11.461 5.843 ( -2.672 5.475 0.000) 6.092 5.927 ( 1.947 -8.546 0.000) 8.765 6.030 ( -1.752 -5.276 0.000) 5.560 6.887 ( 7.316 5.101 0.000) 8.919 7.260 ( -0.711 15.218 0.000) 15.234 7.263 ( 4.009 -8.689 0.000) 9.569 7.404 ( 10.727 -2.722 0.000) 11.067 7.598 ( -0.105 -1.299 0.000) 1.303 7.692 ( 0.184 -13.806 0.000) 13.807 7.828 ( -6.699 8.556 0.000) 10.867 8.020 ( 0.103 3.008 0.000) 3.010 8.093 ( -0.744 16.273 0.000) 16.290 8.232 ( -11.560 0.831 0.000) 11.589 8.398 ( -0.770 -8.136 0.000) 8.172 8.468 ( -1.010 0.161 0.000) 1.023 8.865 ( 9.203 4.539 0.000) 10.262 8.937 ( 6.502 -10.165 0.000) 12.066 9.033 ( 3.541 19.599 0.000) 19.916 9.813 ( 3.459 -4.170 0.000) 5.418 9.888 ( -16.275 -1.953 0.000) 16.392 10.208 ( -9.005 11.777 0.000) 14.826 10.213 ( 3.000 -13.304 0.000) 13.638 10.437 ( 7.300 -8.759 0.000) 11.402 10.529 ( 2.869 -1.510 0.000) 3.242 10.555 ( 2.811 1.868 0.000) 3.375 10.656 ( -0.691 -4.638 0.000) 4.689 10.753 ( 3.953 12.022 0.000) 12.655 10.769 ( 1.301 12.458 0.000) 12.525 10.972 ( -5.121 -5.206 0.000) 7.302 11.086 ( -5.812 9.024 0.000) 10.733 11.154 ( 0.081 -4.897 0.000) 4.898 11.450 ( 0.025 -0.972 0.000) 0.972 11.614 ( -3.542 -0.230 0.000) 3.549 11.744 ( 7.184 5.353 0.000) 8.959 11.757 ( -2.277 -3.055 0.000) 3.810 11.938 ( -2.673 -15.945 0.000) 16.168 12.141 ( -1.858 6.660 0.000) 6.915 12.281 ( 7.537 -15.729 0.000) 17.442 12.378 ( 4.698 0.624 0.000) 4.739 12.625 ( -1.960 3.844 0.000) 4.315 12.638 ( -4.011 -8.282 0.000) 9.202 12.772 ( -1.043 -2.930 0.000) 3.110 12.815 ( -3.196 -15.162 0.000) 15.496 13.097 ( 10.616 5.864 0.000) 12.128 13.505 ( 2.378 3.655 0.000) 4.361 13.559 ( 1.861 -12.475 0.000) 12.613 13.690 ( -4.967 -4.909 0.000) 6.984 14.294 ( -0.220 8.640 0.000) 8.642 14.356 ( -2.024 0.559 0.000) 2.100 14.501 ( 0.617 -6.249 0.000) 6.279 14.573 ( -1.935 -3.340 0.000) 3.860 15.413 ( 2.052 6.159 0.000) 6.492 15.525 ( -3.043 6.611 0.000) 7.277 15.562 ( -1.027 -1.851 0.000) 2.117 15.653 ( -1.890 -0.157 0.000) 1.896 19.495 ( 2.352 3.453 0.000) 4.178 19.677 ( -1.909 2.787 0.000) 3.378 19.717 ( 2.501 -7.523 0.000) 7.928 19.837 ( -0.652 -5.073 0.000) 5.115 21.433 ( 1.149 9.722 0.000) 9.790 21.531 ( -1.188 14.968 0.000) 15.015 21.696 ( 1.466 -3.718 0.000) 3.997 21.828 ( -1.348 -0.928 0.000) 1.636 22.097 ( 0.704 2.775 0.000) 2.863 22.271 ( -2.513 9.198 0.000) 9.535 22.372 ( 4.350 -6.456 0.000) 7.784 22.651 ( -2.461 -7.286 0.000) 7.690 22.840 ( 0.300 1.310 0.000) 1.344 22.923 ( -2.735 1.605 0.000) 3.171 22.947 ( 0.607 -3.194 0.000) 3.251 23.004 ( -0.381 -2.687 0.000) 2.713 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 17.407 27.238 0.000) 32.325 2.888 ( 19.117 33.606 0.000) 38.663 3.143 ( -20.061 19.534 0.000) 28.001 3.283 ( -20.434 26.621 0.000) 33.559 3.843 ( 6.227 -16.643 0.000) 17.770 3.949 ( -4.095 -12.580 0.000) 13.230 4.218 ( 5.334 13.645 0.000) 14.650 4.282 ( -0.033 -13.713 0.000) 13.713 4.583 ( -1.290 3.906 0.000) 4.114 4.619 ( -2.949 -8.463 0.000) 8.962 5.069 ( 0.339 2.587 0.000) 2.609 5.137 ( -6.289 -0.366 0.000) 6.300 5.691 ( 5.688 12.373 0.000) 13.617 5.782 ( -3.721 11.014 0.000) 11.625 5.969 ( 2.097 -4.550 0.000) 5.010 6.002 ( -1.348 -3.093 0.000) 3.374 7.056 ( 9.246 10.677 0.000) 14.124 7.208 ( -5.441 16.005 0.000) 16.905 7.371 ( 7.055 -3.359 0.000) 7.814 7.520 ( -7.333 1.256 0.000) 7.440 7.638 ( 9.152 -0.744 0.000) 9.182 7.727 ( -3.660 0.686 0.000) 3.724 7.737 ( 7.425 -10.738 0.000) 13.055 7.967 ( -12.108 -4.991 0.000) 13.096 8.035 ( 1.530 2.686 0.000) 3.091 8.082 ( -3.334 8.488 0.000) 9.120 8.390 ( 0.313 0.866 0.000) 0.921 8.420 ( -2.691 3.339 0.000) 4.288 9.041 ( 5.487 -7.503 0.000) 9.295 9.085 ( 0.784 3.538 0.000) 3.623 9.150 ( 17.114 2.998 0.000) 17.375 9.526 ( -20.279 2.557 0.000) 20.439 9.905 ( 5.854 1.213 0.000) 5.978 10.037 ( -7.772 7.275 0.000) 10.646 10.303 ( 6.236 -6.507 0.000) 9.013 10.430 ( -5.531 -3.405 0.000) 6.495 10.614 ( 3.122 -6.273 0.000) 7.007 10.633 ( 5.050 -3.120 0.000) 5.936 10.645 ( -0.586 -5.768 0.000) 5.798 10.744 ( -5.302 -5.706 0.000) 7.789 10.843 ( 5.162 13.839 0.000) 14.770 10.945 ( -3.058 12.973 0.000) 13.329 10.987 ( 3.417 2.996 0.000) 4.544 11.114 ( -5.028 -0.549 0.000) 5.058 11.472 ( 2.379 1.389 0.000) 2.755 11.537 ( -3.969 1.119 0.000) 4.123 11.731 ( 0.572 -5.962 0.000) 5.989 11.779 ( -3.104 -5.029 0.000) 5.909 11.985 ( 6.331 -5.499 0.000) 8.385 12.088 ( -3.849 1.073 0.000) 3.996 12.428 ( 6.830 -13.145 0.000) 14.814 12.477 ( 4.041 -0.612 0.000) 4.087 12.567 ( -3.058 -6.028 0.000) 6.759 12.584 ( -2.439 3.190 0.000) 4.015 12.739 ( -1.561 -2.982 0.000) 3.366 12.748 ( -2.686 -9.470 0.000) 9.843 13.321 ( 11.553 0.391 0.000) 11.559 13.509 ( -5.868 -1.370 0.000) 6.026 13.592 ( 1.002 -9.357 0.000) 9.411 13.597 ( -1.188 -4.855 0.000) 4.998 14.290 ( 0.075 6.797 0.000) 6.797 14.310 ( -2.113 3.516 0.000) 4.102 14.517 ( 0.874 -5.141 0.000) 5.215 14.538 ( -1.452 -3.618 0.000) 3.899 15.452 ( 1.422 5.165 0.000) 5.357 15.475 ( -1.673 6.303 0.000) 6.521 15.555 ( 1.043 -0.182 0.000) 1.059 15.602 ( -3.082 -0.015 0.000) 3.082 19.555 ( 3.617 3.480 0.000) 5.020 19.625 ( -3.318 3.191 0.000) 4.604 19.772 ( 2.736 -7.038 0.000) 7.551 19.815 ( -1.682 -6.006 0.000) 6.237 21.463 ( 1.861 10.988 0.000) 11.144 21.501 ( -1.881 12.912 0.000) 13.048 21.736 ( 2.515 -3.296 0.000) 4.146 21.788 ( -2.609 -2.410 0.000) 3.552 22.135 ( 3.138 6.232 0.000) 6.977 22.207 ( -3.891 8.472 0.000) 9.322 22.473 ( 5.671 -6.483 0.000) 8.613 22.578 ( -4.865 -6.894 0.000) 8.438 22.851 ( 0.826 1.749 0.000) 1.934 22.876 ( -1.885 2.232 0.000) 2.921 22.964 ( 1.111 -3.318 0.000) 3.499 22.988 ( -1.188 -3.232 0.000) 3.444 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 0.000 -31.884 0.000) 31.884 3.131 ( 0.000 31.884 0.000) 31.884 3.304 ( 0.000 -38.213 0.000) 38.213 3.304 ( 0.000 38.213 0.000) 38.213 3.922 ( 0.000 -0.805 0.000) 0.805 3.922 ( 0.000 0.805 0.000) 0.805 4.157 ( 0.000 -10.039 0.000) 10.039 4.157 ( 0.000 10.039 0.000) 10.039 4.997 ( 0.000 -17.629 0.000) 17.629 4.997 ( 0.000 17.629 0.000) 17.629 5.159 ( 0.000 -17.652 0.000) 17.652 5.159 ( 0.000 17.652 0.000) 17.652 5.679 ( 0.000 -9.325 0.000) 9.325 5.679 ( 0.000 9.325 0.000) 9.325 5.927 ( 0.000 -4.346 0.000) 4.346 5.927 ( 0.000 4.346 0.000) 4.346 6.986 ( 0.000 -11.225 0.000) 11.225 6.986 ( 0.000 11.225 0.000) 11.225 7.379 ( 0.000 -10.821 0.000) 10.821 7.379 ( 0.000 10.821 0.000) 10.821 7.471 ( 0.000 -7.267 0.000) 7.267 7.471 ( 0.000 7.267 0.000) 7.267 8.165 ( 0.000 -9.865 0.000) 9.865 8.165 ( 0.000 9.865 0.000) 9.865 8.219 ( 0.000 -11.519 0.000) 11.519 8.219 ( 0.000 11.519 0.000) 11.519 8.411 ( 0.000 -0.576 0.000) 0.576 8.411 ( 0.000 0.576 0.000) 0.576 8.810 ( 0.000 -2.479 0.000) 2.479 8.810 ( 0.000 2.479 0.000) 2.479 9.605 ( 0.000 -30.080 0.000) 30.080 9.605 ( 0.000 30.080 0.000) 30.080 9.809 ( 0.000 -12.314 0.000) 12.314 9.809 ( 0.000 12.314 0.000) 12.314 10.343 ( 0.000 -7.185 0.000) 7.185 10.343 ( 0.000 7.185 0.000) 7.185 10.594 ( 0.000 -2.374 0.000) 2.374 10.594 ( 0.000 2.374 0.000) 2.374 10.754 ( 0.000 -14.120 0.000) 14.120 10.754 ( 0.000 14.120 0.000) 14.120 10.967 ( 0.000 -10.939 0.000) 10.939 10.967 ( 0.000 10.939 0.000) 10.939 11.107 ( 0.000 -12.508 0.000) 12.508 11.107 ( 0.000 12.508 0.000) 12.508 11.626 ( 0.000 -16.368 0.000) 16.368 11.626 ( 0.000 16.368 0.000) 16.368 11.694 ( 0.000 -5.060 0.000) 5.060 11.694 ( 0.000 5.060 0.000) 5.060 11.868 ( 0.000 -12.549 0.000) 12.549 11.868 ( 0.000 12.549 0.000) 12.549 12.397 ( 0.000 -11.793 0.000) 11.793 12.397 ( 0.000 11.793 0.000) 11.793 12.515 ( 0.000 -12.613 0.000) 12.613 12.515 ( 0.000 12.613 0.000) 12.613 12.713 ( 0.000 -2.760 0.000) 2.760 12.713 ( 0.000 2.760 0.000) 2.760 13.253 ( 0.000 -13.855 0.000) 13.855 13.253 ( 0.000 13.855 0.000) 13.855 13.616 ( 0.000 -6.532 0.000) 6.532 13.616 ( 0.000 6.532 0.000) 6.532 14.399 ( 0.000 -2.677 0.000) 2.677 14.399 ( 0.000 2.677 0.000) 2.677 14.475 ( 0.000 -7.589 0.000) 7.589 14.475 ( 0.000 7.589 0.000) 7.589 15.505 ( 0.000 -4.211 0.000) 4.211 15.505 ( 0.000 4.211 0.000) 4.211 15.648 ( 0.000 -2.449 0.000) 2.449 15.648 ( 0.000 2.449 0.000) 2.449 19.559 ( 0.000 -5.218 0.000) 5.218 19.559 ( 0.000 5.218 0.000) 5.218 19.759 ( 0.000 -3.512 0.000) 3.512 19.759 ( 0.000 3.512 0.000) 3.512 21.580 ( 0.000 -6.142 0.000) 6.142 21.580 ( 0.000 6.142 0.000) 6.142 21.786 ( 0.000 -6.496 0.000) 6.496 21.786 ( 0.000 6.496 0.000) 6.496 22.169 ( 0.000 -6.667 0.000) 6.667 22.169 ( 0.000 6.667 0.000) 6.667 22.496 ( 0.000 -9.541 0.000) 9.541 22.496 ( 0.000 9.541 0.000) 9.541 22.880 ( 0.000 -2.672 0.000) 2.672 22.880 ( 0.000 2.672 0.000) 2.672 22.973 ( 0.000 -1.037 0.000) 1.037 22.973 ( 0.000 1.037 0.000) 1.037 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 5.334 -30.623 0.000) 31.084 3.183 ( 5.334 30.623 0.000) 31.084 3.372 ( 6.476 -34.193 0.000) 34.801 3.372 ( 6.476 34.193 0.000) 34.801 3.839 ( -7.598 -6.915 0.000) 10.274 3.839 ( -7.598 6.915 0.000) 10.274 4.082 ( -7.415 -17.903 0.000) 19.378 4.082 ( -7.415 17.903 0.000) 19.378 4.961 ( -3.140 -17.710 0.000) 17.986 4.961 ( -3.140 17.710 0.000) 17.986 5.077 ( -6.978 -17.130 0.000) 18.497 5.077 ( -6.978 17.130 0.000) 18.497 5.753 ( 6.325 -7.936 0.000) 10.148 5.753 ( 6.325 7.936 0.000) 10.148 5.942 ( 1.082 -4.611 0.000) 4.737 5.942 ( 1.082 4.611 0.000) 4.737 7.065 ( 7.870 -10.023 0.000) 12.743 7.065 ( 7.870 10.023 0.000) 12.743 7.447 ( 6.591 -8.001 0.000) 10.366 7.447 ( 6.591 8.001 0.000) 10.366 7.491 ( 1.120 -7.655 0.000) 7.737 7.491 ( 1.120 7.655 0.000) 7.737 8.091 ( -11.738 -10.812 0.000) 15.959 8.091 ( -11.738 10.812 0.000) 15.959 8.169 ( 0.562 -10.660 0.000) 10.675 8.169 ( 0.562 10.660 0.000) 10.675 8.383 ( -3.271 -8.761 0.000) 9.352 8.383 ( -3.271 8.761 0.000) 9.352 8.882 ( 7.690 -4.031 0.000) 8.682 8.882 ( 7.690 4.031 0.000) 8.682 9.550 ( -5.922 -25.520 0.000) 26.198 9.550 ( -5.922 25.520 0.000) 26.198 9.876 ( 6.454 -12.145 0.000) 13.753 9.876 ( 6.454 12.145 0.000) 13.753 10.341 ( -1.404 -3.357 0.000) 3.639 10.341 ( -1.404 3.357 0.000) 3.639 10.599 ( 0.407 -2.275 0.000) 2.311 10.599 ( 0.407 2.275 0.000) 2.311 10.681 ( -5.951 -12.910 0.000) 14.216 10.681 ( -5.951 12.910 0.000) 14.216 11.002 ( 3.235 -10.040 0.000) 10.548 11.002 ( 3.235 10.040 0.000) 10.548 11.092 ( -0.708 -9.655 0.000) 9.680 11.092 ( -0.708 9.655 0.000) 9.680 11.605 ( -1.770 -15.008 0.000) 15.112 11.605 ( -1.770 15.008 0.000) 15.112 11.662 ( -3.028 -4.698 0.000) 5.589 11.662 ( -3.028 4.698 0.000) 5.589 11.954 ( 7.322 -14.029 0.000) 15.824 11.954 ( 7.322 14.029 0.000) 15.824 12.359 ( -4.185 -11.897 0.000) 12.612 12.359 ( -4.185 11.897 0.000) 12.612 12.537 ( 2.727 -9.777 0.000) 10.150 12.537 ( 2.727 9.777 0.000) 10.150 12.709 ( -0.608 -3.761 0.000) 3.810 12.709 ( -0.608 3.761 0.000) 3.810 13.303 ( 4.720 -12.014 0.000) 12.908 13.303 ( 4.720 12.014 0.000) 12.908 13.590 ( -2.629 -4.568 0.000) 5.270 13.590 ( -2.629 4.568 0.000) 5.270 14.398 ( 0.041 -3.545 0.000) 3.545 14.398 ( 0.041 3.545 0.000) 3.545 14.462 ( -1.328 -7.125 0.000) 7.247 14.462 ( -1.328 7.125 0.000) 7.247 15.510 ( 0.573 -3.398 0.000) 3.446 15.510 ( 0.573 3.398 0.000) 3.446 15.623 ( -2.318 -2.967 0.000) 3.766 15.623 ( -2.318 2.967 0.000) 3.766 19.585 ( 2.500 -5.318 0.000) 5.876 19.585 ( 2.500 5.318 0.000) 5.876 19.745 ( -1.383 -3.850 0.000) 4.091 19.745 ( -1.383 3.850 0.000) 4.091 21.596 ( 1.610 -6.172 0.000) 6.379 21.596 ( 1.610 6.172 0.000) 6.379 21.759 ( -2.538 -6.604 0.000) 7.075 21.759 ( -2.538 6.604 0.000) 7.075 22.209 ( 3.806 -7.843 0.000) 8.718 22.209 ( 3.806 7.843 0.000) 8.718 22.472 ( -2.547 -9.625 0.000) 9.956 22.472 ( -2.547 9.625 0.000) 9.956 22.885 ( 0.500 -2.729 0.000) 2.775 22.885 ( 0.500 2.729 0.000) 2.775 22.958 ( -1.387 -1.856 0.000) 2.316 22.958 ( -1.387 1.856 0.000) 2.316 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( 9.057 -25.625 0.000) 27.179 3.328 ( 9.057 25.625 0.000) 27.179 3.470 ( -1.393 -5.927 0.000) 6.088 3.470 ( -1.393 5.927 0.000) 6.088 3.730 ( 1.684 -16.309 0.000) 16.396 3.730 ( 1.684 16.309 0.000) 16.396 3.895 ( -10.975 -27.108 0.000) 29.245 3.895 ( -10.975 27.108 0.000) 29.245 4.911 ( -0.937 -16.905 0.000) 16.931 4.911 ( -0.937 16.905 0.000) 16.931 4.950 ( -4.924 -16.633 0.000) 17.347 4.950 ( -4.924 16.633 0.000) 17.347 5.876 ( 5.424 -5.545 0.000) 7.757 5.876 ( 5.424 5.545 0.000) 7.757 5.944 ( -1.483 -4.236 0.000) 4.488 5.944 ( -1.483 4.236 0.000) 4.488 7.268 ( 12.006 -8.262 0.000) 14.574 7.268 ( 12.006 8.262 0.000) 14.574 7.459 ( -5.809 -7.722 0.000) 9.663 7.459 ( -5.809 7.722 0.000) 9.663 7.611 ( 9.841 -0.493 0.000) 9.853 7.611 ( 9.841 0.493 0.000) 9.853 7.832 ( -13.224 -7.582 0.000) 15.243 7.832 ( -13.224 7.582 0.000) 15.243 8.201 ( 3.113 -12.618 0.000) 12.996 8.201 ( 3.113 12.618 0.000) 12.996 8.290 ( -5.567 -12.775 0.000) 13.935 8.290 ( -5.567 12.775 0.000) 13.935 9.101 ( 13.913 -8.293 0.000) 16.198 9.101 ( 13.913 8.293 0.000) 16.198 9.370 ( -12.439 -16.101 0.000) 20.346 9.370 ( -12.439 16.101 0.000) 20.346 10.038 ( 9.776 -12.455 0.000) 15.834 10.038 ( 9.776 12.455 0.000) 15.834 10.233 ( -9.357 -11.455 0.000) 14.791 10.233 ( -9.357 11.455 0.000) 14.791 10.606 ( 0.151 -2.564 0.000) 2.568 10.606 ( 0.151 2.564 0.000) 2.568 10.610 ( -0.936 -5.828 0.000) 5.902 10.610 ( -0.936 5.828 0.000) 5.902 11.067 ( 2.654 -6.298 0.000) 6.834 11.067 ( 2.654 6.298 0.000) 6.834 11.090 ( 0.009 -2.022 0.000) 2.022 11.090 ( 0.009 2.022 0.000) 2.022 11.576 ( -0.587 -10.114 0.000) 10.131 11.576 ( -0.587 10.114 0.000) 10.131 11.598 ( -2.804 -5.305 0.000) 6.000 11.598 ( -2.804 5.305 0.000) 6.000 12.106 ( 7.788 -13.709 0.000) 15.767 12.106 ( 7.788 13.709 0.000) 15.767 12.248 ( -6.786 -13.222 0.000) 14.862 12.248 ( -6.786 13.222 0.000) 14.862 12.611 ( 4.204 -6.448 0.000) 7.698 12.611 ( 4.204 6.448 0.000) 7.698 12.680 ( -2.579 -4.400 0.000) 5.100 12.680 ( -2.579 4.400 0.000) 5.100 13.412 ( 5.925 -7.494 0.000) 9.553 13.412 ( 5.925 7.494 0.000) 9.553 13.518 ( -4.769 -2.413 0.000) 5.345 13.518 ( -4.769 2.413 0.000) 5.345 14.405 ( 0.828 -5.323 0.000) 5.387 14.405 ( 0.828 5.323 0.000) 5.387 14.431 ( -1.652 -6.366 0.000) 6.577 14.431 ( -1.652 6.366 0.000) 6.577 15.530 ( 1.571 -2.419 0.000) 2.884 15.530 ( 1.571 2.419 0.000) 2.884 15.572 ( -2.619 -3.009 0.000) 3.989 15.572 ( -2.619 3.009 0.000) 3.989 19.645 ( 3.368 -5.210 0.000) 6.203 19.645 ( 3.368 5.210 0.000) 6.203 19.705 ( -2.694 -4.600 0.000) 5.330 19.705 ( -2.694 4.600 0.000) 5.330 21.640 ( 2.812 -6.288 0.000) 6.888 21.640 ( 2.812 6.288 0.000) 6.888 21.700 ( -3.280 -6.495 0.000) 7.276 21.700 ( -3.280 6.495 0.000) 7.276 22.301 ( 5.300 -9.137 0.000) 10.563 22.301 ( 5.300 9.137 0.000) 10.563 22.400 ( -4.646 -9.632 0.000) 10.694 22.400 ( -4.646 9.632 0.000) 10.694 22.900 ( 1.089 -2.822 0.000) 3.025 22.900 ( 1.089 2.822 0.000) 3.025 22.927 ( -1.615 -2.654 0.000) 3.106 22.927 ( -1.615 2.654 0.000) 3.106 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 0.000 38.556) 38.556 0.850 ( 0.000 0.000 41.486) 41.486 1.766 ( 0.000 0.000 85.983) 85.983 2.413 ( 0.000 0.000 10.418) 10.418 3.642 ( 0.000 0.000 19.431) 19.431 3.892 ( 0.000 0.000 -5.168) 5.168 4.104 ( 0.000 0.000 -4.291) 4.291 4.165 ( 0.000 0.000 -11.021) 11.021 4.476 ( 0.000 0.000 -10.172) 10.172 4.700 ( 0.000 0.000 1.138) 1.138 4.797 ( 0.000 0.000 3.066) 3.066 5.002 ( 0.000 0.000 -8.028) 8.028 5.224 ( 0.000 0.000 19.403) 19.403 5.906 ( 0.000 0.000 -5.857) 5.857 6.105 ( 0.000 0.000 6.013) 6.013 6.608 ( 0.000 0.000 -9.604) 9.604 6.737 ( 0.000 0.000 -2.650) 2.650 6.739 ( 0.000 0.000 -0.508) 0.508 6.745 ( 0.000 0.000 -8.790) 8.790 7.731 ( 0.000 0.000 2.346) 2.346 7.786 ( 0.000 0.000 -3.071) 3.071 7.840 ( 0.000 0.000 0.991) 0.991 7.987 ( 0.000 0.000 -0.874) 0.874 8.063 ( 0.000 0.000 -8.709) 8.709 8.094 ( 0.000 0.000 -4.303) 4.303 8.187 ( 0.000 0.000 1.054) 1.054 8.303 ( 0.000 0.000 -1.817) 1.817 8.381 ( 0.000 0.000 2.491) 2.491 8.478 ( 0.000 0.000 -1.285) 1.285 8.710 ( 0.000 0.000 4.121) 4.121 8.946 ( 0.000 0.000 -3.907) 3.907 9.510 ( 0.000 0.000 5.187) 5.187 9.519 ( 0.000 0.000 -6.020) 6.020 9.964 ( 0.000 0.000 -4.522) 4.522 10.169 ( 0.000 0.000 -4.174) 4.174 10.203 ( 0.000 0.000 2.123) 2.123 10.265 ( 0.000 0.000 -3.512) 3.512 10.380 ( 0.000 0.000 -0.378) 0.378 10.415 ( 0.000 0.000 5.980) 5.980 10.435 ( 0.000 0.000 -1.341) 1.341 10.772 ( 0.000 0.000 -4.880) 4.880 11.231 ( 0.000 0.000 0.192) 0.192 11.340 ( 0.000 0.000 -6.342) 6.342 11.403 ( 0.000 0.000 3.331) 3.331 11.418 ( 0.000 0.000 1.859) 1.859 11.740 ( 0.000 0.000 -5.704) 5.704 11.796 ( 0.000 0.000 -2.770) 2.770 11.968 ( 0.000 0.000 0.318) 0.318 12.142 ( 0.000 0.000 -9.040) 9.040 12.352 ( 0.000 0.000 -0.846) 0.846 12.396 ( 0.000 0.000 -4.725) 4.725 12.544 ( 0.000 0.000 -17.590) 17.590 12.580 ( 0.000 0.000 1.879) 1.879 12.874 ( 0.000 0.000 -3.009) 3.009 13.009 ( 0.000 0.000 -1.023) 1.023 13.107 ( 0.000 0.000 2.264) 2.264 13.447 ( 0.000 0.000 8.656) 8.656 13.495 ( 0.000 0.000 2.257) 2.257 13.508 ( 0.000 0.000 10.428) 10.428 13.880 ( 0.000 0.000 -18.316) 18.316 14.177 ( 0.000 0.000 -12.327) 12.327 14.441 ( 0.000 0.000 1.425) 1.425 14.698 ( 0.000 0.000 14.104) 14.104 14.819 ( 0.000 0.000 -2.834) 2.834 14.923 ( 0.000 0.000 15.826) 15.826 14.983 ( 0.000 0.000 -7.197) 7.197 15.757 ( 0.000 0.000 3.704) 3.704 17.197 ( 0.000 0.000 -2.370) 2.370 19.400 ( 0.000 0.000 1.938) 1.938 19.654 ( 0.000 0.000 3.085) 3.085 20.133 ( 0.000 0.000 0.681) 0.681 20.156 ( 0.000 0.000 1.782) 1.782 20.196 ( 0.000 0.000 -1.857) 1.857 20.713 ( 0.000 0.000 -2.786) 2.786 20.771 ( 0.000 0.000 -1.076) 1.076 21.764 ( 0.000 0.000 -3.382) 3.382 21.846 ( 0.000 0.000 4.161) 4.161 21.990 ( 0.000 0.000 -0.609) 0.609 22.147 ( 0.000 0.000 2.596) 2.596 22.215 ( 0.000 0.000 -13.120) 13.120 22.923 ( 0.000 0.000 0.410) 0.410 22.983 ( 0.000 0.000 9.071) 9.071 23.240 ( 0.000 0.000 12.290) 12.290 24.966 ( 0.000 0.000 -3.862) 3.862 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 24.095 0.000 28.165) 37.066 1.312 ( 35.183 0.000 29.285) 45.776 2.095 ( 32.886 0.000 68.926) 76.369 2.321 ( -9.631 0.000 11.134) 14.722 3.261 ( -29.484 0.000 16.993) 34.030 3.902 ( 1.121 0.000 -4.989) 5.114 4.067 ( -3.356 0.000 -3.996) 5.218 4.324 ( -1.084 0.000 -1.162) 1.588 4.427 ( -3.664 0.000 -1.491) 3.956 4.732 ( 3.116 0.000 0.243) 3.125 4.735 ( -1.277 0.000 -4.079) 4.274 4.978 ( -2.522 0.000 -6.891) 7.338 5.314 ( 9.976 0.000 15.178) 18.163 5.923 ( 0.850 0.000 -4.995) 5.066 6.168 ( 6.209 0.000 4.380) 7.598 6.605 ( -8.945 0.000 -6.508) 11.062 6.616 ( -2.110 0.000 -9.467) 9.699 6.711 ( -6.020 0.000 -5.767) 8.336 6.775 ( 6.715 0.000 -1.930) 6.987 7.673 ( -12.192 0.000 -5.826) 13.513 7.752 ( -1.582 0.000 -2.532) 2.986 7.878 ( 1.746 0.000 0.443) 1.802 7.911 ( -3.590 0.000 2.198) 4.209 8.002 ( -10.417 0.000 0.901) 10.456 8.099 ( 0.978 0.000 -3.313) 3.454 8.143 ( 5.632 0.000 -7.606) 9.464 8.343 ( -3.673 0.000 2.524) 4.457 8.375 ( 2.640 0.000 -4.162) 4.928 8.552 ( 6.722 0.000 0.387) 6.733 8.741 ( 2.647 0.000 4.290) 5.041 9.047 ( 8.643 0.000 -3.705) 9.403 9.470 ( -3.933 0.000 3.592) 5.326 9.701 ( 15.925 0.000 -7.095) 17.434 9.917 ( -2.877 0.000 -5.420) 6.136 10.139 ( -1.735 0.000 -2.397) 2.959 10.198 ( -0.136 0.000 2.056) 2.060 10.257 ( -1.413 0.000 0.166) 1.422 10.381 ( 2.816 0.000 -0.251) 2.828 10.494 ( 4.470 0.000 2.411) 5.079 10.653 ( 5.431 0.000 -12.674) 13.789 10.953 ( 14.947 0.000 -13.232) 19.963 11.183 ( -8.605 0.000 -1.686) 8.768 11.272 ( -1.733 0.000 -3.014) 3.477 11.371 ( 2.483 0.000 2.590) 3.588 11.547 ( 8.113 0.000 -2.346) 8.446 11.729 ( -6.192 0.000 -1.862) 6.466 11.732 ( -6.847 0.000 -4.805) 8.365 11.899 ( 0.764 0.000 3.542) 3.623 12.077 ( -6.111 0.000 -6.949) 9.254 12.354 ( -3.327 0.000 -11.411) 11.886 12.469 ( 7.287 0.000 -0.194) 7.290 12.624 ( 3.941 0.000 0.113) 3.943 12.694 ( -5.798 0.000 -6.768) 8.912 12.786 ( 9.730 0.000 -2.068) 9.947 12.853 ( -2.152 0.000 -3.060) 3.741 13.409 ( 11.982 0.000 -11.311) 16.478 13.452 ( 0.421 0.000 8.240) 8.251 13.489 ( -0.519 0.000 3.231) 3.272 13.565 ( 7.397 0.000 0.046) 7.397 13.857 ( -0.138 0.000 -10.191) 10.192 14.136 ( -4.030 0.000 -12.604) 13.233 14.484 ( 4.179 0.000 0.756) 4.247 14.576 ( -11.214 0.000 9.377) 14.618 14.788 ( -3.145 0.000 -2.584) 4.070 14.986 ( 4.946 0.000 5.792) 7.616 15.056 ( 6.703 0.000 7.039) 9.720 15.724 ( -2.964 0.000 5.026) 5.835 16.426 ( -43.267 0.000 36.628) 56.689 19.424 ( 2.462 0.000 2.012) 3.180 19.632 ( -2.395 0.000 3.116) 3.930 20.135 ( 0.204 0.000 0.772) 0.798 20.154 ( -0.238 0.000 1.659) 1.676 20.719 ( 0.583 0.000 -2.606) 2.670 20.766 ( -0.512 0.000 -1.226) 1.328 20.984 ( 45.492 0.000 -42.708) 62.398 21.765 ( -0.087 0.000 -4.501) 4.502 21.844 ( 0.073 0.000 3.671) 3.672 22.011 ( 2.147 0.000 -0.904) 2.330 22.095 ( -4.487 0.000 -0.707) 4.543 22.212 ( -1.223 0.000 -12.094) 12.155 22.932 ( 0.896 0.000 1.410) 1.671 22.980 ( -0.308 0.000 8.098) 8.104 23.287 ( 4.944 0.000 14.912) 15.710 24.356 ( -40.211 0.000 31.630) 51.160 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 26.392 0.000 18.324) 32.129 1.987 ( 34.131 0.000 26.961) 43.495 2.035 ( -19.688 0.000 13.452) 23.845 2.642 ( -33.235 0.000 21.524) 39.596 2.917 ( 47.272 0.000 39.639) 61.692 3.792 ( -40.172 0.000 21.381) 45.508 3.937 ( 2.415 0.000 -4.437) 5.051 3.995 ( -3.575 0.000 -3.908) 5.296 4.569 ( 8.680 0.000 -4.823) 9.930 4.704 ( -4.402 0.000 -7.107) 8.360 4.812 ( 4.831 0.000 -1.788) 5.151 4.907 ( -4.585 0.000 -4.358) 6.326 5.599 ( 17.192 0.000 5.646) 18.095 5.870 ( -8.427 0.000 -1.133) 8.502 6.327 ( 9.546 0.000 0.270) 9.550 6.483 ( -1.379 0.000 -9.024) 9.129 6.506 ( -8.181 0.000 -4.624) 9.397 6.561 ( -7.750 0.000 -8.141) 11.241 7.005 ( 15.749 0.000 -4.031) 16.257 7.350 ( -18.768 0.000 -5.122) 19.455 7.733 ( 1.323 0.000 0.847) 1.571 7.819 ( -7.358 0.000 3.323) 8.074 7.882 ( 0.626 0.000 -0.073) 0.630 7.899 ( -0.574 0.000 -0.267) 0.633 8.151 ( 4.367 0.000 0.409) 4.386 8.251 ( -5.415 0.000 2.236) 5.859 8.268 ( 6.212 0.000 -10.869) 12.519 8.365 ( -3.272 0.000 -9.307) 9.866 8.695 ( 6.505 0.000 3.372) 7.327 8.768 ( -0.800 0.000 4.125) 4.202 9.221 ( 8.520 0.000 -2.275) 8.818 9.367 ( -6.507 0.000 0.450) 6.522 9.886 ( 0.378 0.000 -5.287) 5.301 9.907 ( 0.757 0.000 -6.535) 6.579 10.204 ( 0.722 0.000 2.400) 2.507 10.225 ( -1.489 0.000 2.242) 2.691 10.264 ( 17.465 0.000 -3.500) 17.812 10.464 ( 4.696 0.000 -0.763) 4.758 10.530 ( -1.254 0.000 0.326) 1.296 10.603 ( -12.304 0.000 -8.864) 15.164 11.027 ( -0.253 0.000 -1.622) 1.642 11.091 ( -2.517 0.000 -8.090) 8.472 11.329 ( 7.535 0.000 -2.522) 7.946 11.468 ( 5.737 0.000 -2.944) 6.448 11.519 ( -10.286 0.000 -3.522) 10.872 11.574 ( -6.246 0.000 -5.099) 8.063 11.755 ( 8.810 0.000 -1.495) 8.936 11.929 ( -8.654 0.000 -3.987) 9.529 11.998 ( 7.866 0.000 5.662) 9.691 12.195 ( -11.436 0.000 0.584) 11.451 12.563 ( 2.264 0.000 -0.470) 2.312 12.589 ( -1.329 0.000 -0.723) 1.513 12.711 ( 4.640 0.000 -1.982) 5.046 12.794 ( -3.802 0.000 -2.912) 4.789 13.098 ( 15.842 0.000 -17.498) 23.604 13.363 ( -10.689 0.000 -13.852) 17.497 13.463 ( 0.686 0.000 7.056) 7.089 13.477 ( -0.728 0.000 5.235) 5.286 13.850 ( 13.510 0.000 -17.611) 22.196 13.951 ( 9.439 0.000 8.667) 12.815 14.039 ( -3.724 0.000 -13.633) 14.132 14.294 ( -17.084 0.000 4.336) 17.626 14.588 ( 6.059 0.000 -0.613) 6.090 14.703 ( -5.451 0.000 -1.829) 5.750 15.102 ( 6.003 0.000 6.041) 8.516 15.157 ( 1.726 0.000 9.257) 9.416 15.693 ( 1.930 0.000 12.063) 12.216 15.867 ( -16.991 0.000 26.723) 31.667 19.488 ( 3.983 0.000 2.348) 4.623 19.568 ( -3.953 0.000 2.795) 4.841 20.140 ( 0.345 0.000 1.021) 1.078 20.148 ( -0.365 0.000 1.358) 1.406 20.734 ( 0.905 0.000 -2.154) 2.336 20.752 ( -0.861 0.000 -1.629) 1.842 21.581 ( 17.428 0.000 -31.333) 35.854 21.745 ( -2.729 0.000 -9.609) 9.989 21.871 ( 3.546 0.000 -0.179) 3.551 21.984 ( -6.571 0.000 -4.887) 8.189 22.073 ( 3.964 0.000 -4.531) 6.020 22.157 ( -4.136 0.000 -10.542) 11.324 22.953 ( 1.079 0.000 3.563) 3.723 22.970 ( -0.732 0.000 5.947) 5.991 23.442 ( 11.424 0.000 22.044) 24.829 23.756 ( -22.135 0.000 31.785) 38.734 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.000 25.779 29.787) 39.393 1.433 ( 0.000 37.129 30.978) 48.355 2.098 ( 0.000 36.020 63.621) 73.110 2.686 ( 0.000 24.012 8.546) 25.488 3.638 ( 0.000 2.205 16.312) 16.460 3.984 ( 0.000 -4.219 -10.252) 11.086 4.142 ( 0.000 19.890 -3.798) 20.249 4.243 ( 0.000 -1.753 -3.390) 3.816 4.616 ( 0.000 13.889 -7.803) 15.931 4.670 ( 0.000 -4.705 2.392) 5.278 4.855 ( 0.000 7.298 3.815) 8.235 5.046 ( 0.000 0.393 4.548) 4.565 5.308 ( 0.000 11.029 3.594) 11.600 5.690 ( 0.000 -17.509 -5.396) 18.321 6.126 ( 0.000 1.184 5.236) 5.368 6.499 ( 0.000 -10.492 -3.741) 11.139 6.772 ( 0.000 3.527 -2.290) 4.206 6.825 ( 0.000 15.169 -7.571) 16.953 6.979 ( 0.000 12.946 -8.041) 15.240 7.479 ( 0.000 -21.674 0.003) 21.674 7.675 ( 0.000 -4.954 2.960) 5.771 7.820 ( 0.000 -2.191 -2.026) 2.984 7.952 ( 0.000 -8.145 -2.415) 8.496 8.075 ( 0.000 2.129 -5.242) 5.658 8.149 ( 0.000 -8.182 -3.889) 9.059 8.169 ( 0.000 5.880 -5.565) 8.096 8.258 ( 0.000 5.290 2.620) 5.903 8.434 ( 0.000 4.813 1.746) 5.120 8.547 ( 0.000 2.607 0.860) 2.745 8.890 ( 0.000 -5.281 -1.835) 5.591 9.091 ( 0.000 26.834 -5.385) 27.369 9.208 ( 0.000 -13.534 -2.625) 13.786 9.813 ( 0.000 11.183 -4.312) 11.985 9.977 ( 0.000 1.851 -4.462) 4.831 10.146 ( 0.000 -0.065 -1.036) 1.038 10.264 ( 0.000 4.087 2.538) 4.811 10.308 ( 0.000 3.059 -2.701) 4.081 10.344 ( 0.000 0.110 -3.527) 3.529 10.504 ( 0.000 3.305 -1.834) 3.779 10.524 ( 0.000 9.470 1.974) 9.674 10.742 ( 0.000 -2.844 -2.796) 3.988 11.222 ( 0.000 -0.866 -0.453) 0.977 11.368 ( 0.000 -2.562 -1.520) 2.979 11.368 ( 0.000 -3.495 3.312) 4.815 11.441 ( 0.000 2.380 0.929) 2.555 11.707 ( 0.000 -4.017 -2.287) 4.622 11.799 ( 0.000 -0.085 -1.033) 1.036 11.893 ( 0.000 -4.548 -3.531) 5.758 12.232 ( 0.000 -9.531 0.612) 9.550 12.237 ( 0.000 5.130 -8.738) 10.133 12.389 ( 0.000 -1.124 -6.020) 6.124 12.418 ( 0.000 -2.142 -7.209) 7.520 12.592 ( 0.000 0.673 0.700) 0.971 12.802 ( 0.000 -11.205 -2.924) 11.580 13.046 ( 0.000 2.408 -4.762) 5.336 13.047 ( 0.000 -4.784 3.149) 5.727 13.432 ( 0.000 -6.392 3.734) 7.402 13.457 ( 0.000 -3.444 7.498) 8.251 13.672 ( 0.000 13.514 -5.587) 14.623 13.847 ( 0.000 -2.267 -13.575) 13.763 14.058 ( 0.000 -9.356 -6.123) 11.182 14.383 ( 0.000 -3.392 -0.248) 3.401 14.635 ( 0.000 -8.158 -5.991) 10.122 14.740 ( 0.000 -1.487 7.683) 7.825 15.082 ( 0.000 11.616 11.454) 16.313 15.155 ( 0.000 11.457 -3.085) 11.865 15.741 ( 0.000 -1.442 4.196) 4.436 16.369 ( 0.000 -36.534 33.030) 49.252 19.404 ( 0.000 0.757 1.583) 1.754 19.660 ( 0.000 0.641 3.097) 3.163 20.070 ( 0.000 -9.626 -1.283) 9.711 20.088 ( 0.000 -4.613 1.521) 4.858 20.839 ( 0.000 11.313 -2.994) 11.703 20.919 ( 0.000 11.868 -1.551) 11.969 21.220 ( 0.000 52.608 -48.769) 71.736 21.772 ( 0.000 0.577 -3.029) 3.083 21.840 ( 0.000 -0.421 3.753) 3.777 22.012 ( 0.000 2.109 -1.343) 2.500 22.142 ( 0.000 -0.384 2.600) 2.628 22.237 ( 0.000 1.704 -13.587) 13.693 22.929 ( 0.000 0.636 0.909) 1.110 22.972 ( 0.000 -1.037 9.054) 9.113 23.215 ( 0.000 -2.370 11.833) 12.068 24.357 ( 0.000 -37.299 29.214) 47.378 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 22.016 22.569 23.502) 39.324 1.639 ( 19.548 27.081 30.284) 45.084 2.389 ( 26.495 30.136 49.860) 64.001 2.601 ( -7.637 24.283 11.363) 27.877 3.295 ( -27.055 4.672 14.495) 31.047 3.985 ( -4.053 -1.573 -1.049) 4.472 4.140 ( -0.417 17.700 -2.435) 17.871 4.344 ( 7.986 -3.938 -3.584) 9.599 4.585 ( -10.172 8.602 2.289) 13.517 4.664 ( 1.771 3.397 -8.611) 9.425 4.852 ( 1.927 8.531 2.216) 9.022 5.066 ( 0.992 4.095 0.998) 4.330 5.329 ( 4.392 4.681 6.061) 8.828 5.710 ( 1.390 -17.105 -4.629) 17.775 6.148 ( 2.006 -2.193 2.489) 3.877 6.456 ( -3.926 -9.669 -2.207) 10.667 6.685 ( -6.482 6.017 -3.615) 9.554 6.872 ( -2.664 11.031 -10.276) 15.310 6.929 ( 2.553 11.851 -3.892) 12.733 7.502 ( 1.202 -13.214 -1.875) 13.400 7.702 ( -1.766 -4.182 0.285) 4.548 7.769 ( -4.426 -4.931 -3.097) 7.314 7.935 ( -1.810 -5.797 0.212) 6.077 8.007 ( -5.459 6.520 -2.597) 8.891 8.084 ( -2.617 -2.271 -5.307) 6.338 8.141 ( -0.530 -8.727 -3.216) 9.315 8.234 ( -0.414 5.984 2.270) 6.413 8.476 ( 2.172 3.532 1.842) 4.537 8.610 ( 5.713 1.973 -0.041) 6.044 8.995 ( 1.136 9.980 -2.943) 10.466 9.069 ( 4.919 11.155 -3.048) 12.567 9.302 ( 6.763 -10.842 -1.931) 12.924 9.856 ( 4.196 7.799 -6.002) 10.699 9.922 ( -3.106 0.935 -5.144) 6.081 10.120 ( -1.586 1.048 0.710) 2.030 10.255 ( 0.500 4.298 -0.016) 4.327 10.316 ( -0.758 4.885 -2.186) 5.405 10.402 ( 2.939 -0.327 -3.724) 4.755 10.476 ( 2.852 1.975 0.822) 3.566 10.670 ( 3.298 1.991 -4.942) 6.266 10.874 ( 11.936 -5.121 -5.486) 14.099 11.199 ( -6.238 1.088 -0.760) 6.378 11.309 ( -2.175 -2.401 -0.156) 3.244 11.325 ( 0.312 -1.905 0.639) 2.033 11.471 ( -0.505 -6.334 3.803) 7.405 11.672 ( -2.410 -2.709 -4.838) 6.046 11.747 ( -5.450 1.201 -2.023) 5.936 11.905 ( 2.923 -0.638 0.393) 3.018 12.221 ( -3.280 9.164 -5.042) 10.962 12.312 ( 5.439 -7.994 -4.920) 10.849 12.388 ( -0.180 -1.651 -4.274) 4.585 12.471 ( 6.357 -8.976 -7.169) 13.129 12.615 ( -5.362 -6.251 1.208) 8.324 12.647 ( -3.120 -3.171 2.268) 4.993 13.069 ( 3.120 4.365 -7.197) 8.977 13.198 ( 8.630 -9.686 0.121) 12.973 13.405 ( -0.754 -7.581 3.096) 8.223 13.550 ( 5.966 -0.954 5.867) 8.422 13.717 ( 4.532 12.462 -10.604) 16.979 13.810 ( -1.528 -3.691 -9.024) 9.868 14.045 ( -1.791 -7.702 -6.486) 10.227 14.366 ( -2.919 -6.279 -2.076) 7.229 14.583 ( -3.775 -3.222 -1.005) 5.064 14.730 ( -1.350 -2.590 4.775) 5.598 15.137 ( 2.626 10.790 5.989) 12.618 15.159 ( 2.906 8.506 3.641) 9.698 15.710 ( -2.696 -1.171 5.350) 6.104 16.116 ( -19.104 -18.320 31.312) 41.001 19.429 ( 2.492 0.689 1.802) 3.152 19.637 ( -2.330 0.641 3.045) 3.888 20.086 ( 0.870 -7.396 -0.043) 7.447 20.091 ( 0.237 -5.144 1.351) 5.324 20.842 ( 0.340 11.379 -3.016) 11.777 20.890 ( -1.440 12.657 -2.492) 12.980 21.459 ( 17.514 30.327 -43.272) 55.668 21.777 ( 0.421 1.058 -4.314) 4.462 21.841 ( 0.337 -0.245 3.391) 3.416 22.032 ( 1.913 1.922 -2.145) 3.458 22.100 ( -3.596 0.466 0.183) 3.631 22.233 ( -1.052 1.823 -13.737) 13.898 22.936 ( 0.669 0.411 1.846) 2.006 22.971 ( -0.181 -0.912 8.160) 8.213 23.257 ( 4.468 -2.781 14.218) 15.161 24.064 ( -23.124 -21.574 33.663) 46.188 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 24.686 22.780 16.383) 37.373 2.120 ( 28.315 13.325 26.100) 40.749 2.307 ( -18.337 22.813 11.588) 31.480 2.707 ( -29.695 6.690 18.603) 35.674 3.094 ( 36.133 18.468 34.258) 53.106 3.725 ( -24.427 1.688 16.889) 29.746 4.176 ( 4.515 20.212 -3.710) 21.040 4.330 ( -12.001 21.787 -0.543) 24.880 4.501 ( 7.816 -6.278 -4.169) 10.858 4.630 ( -4.853 -5.138 -6.215) 9.411 4.928 ( 5.121 9.464 -0.429) 10.769 5.028 ( -4.489 9.867 -1.929) 11.011 5.517 ( 12.268 -6.947 2.481) 14.315 5.694 ( -4.616 -14.733 -2.521) 15.644 6.206 ( 4.776 -7.170 -1.574) 8.758 6.343 ( -7.968 -8.832 -0.735) 11.918 6.621 ( 1.835 9.015 -5.335) 10.634 6.729 ( -7.795 7.674 -6.724) 12.840 7.116 ( 13.044 10.150 -5.981) 17.577 7.391 ( -13.568 4.164 -6.415) 15.575 7.647 ( 1.625 -6.663 3.670) 7.779 7.708 ( -3.321 -4.931 1.919) 6.247 7.900 ( -0.734 -1.121 -0.204) 1.355 7.922 ( -3.113 2.036 -1.414) 3.979 8.098 ( 1.761 -5.310 -4.896) 7.434 8.123 ( -0.989 -5.978 -3.386) 6.942 8.309 ( 7.305 1.363 -1.753) 7.636 8.449 ( -5.337 1.126 -0.957) 5.537 8.750 ( 8.077 5.278 0.473) 9.660 8.898 ( -6.906 12.575 -1.197) 14.396 9.250 ( 8.663 1.671 -1.985) 9.044 9.359 ( -1.784 -1.816 -1.126) 2.784 9.888 ( 0.163 0.220 -4.961) 4.968 9.910 ( -0.768 0.198 -5.912) 5.965 10.178 ( 6.883 0.120 -2.144) 7.210 10.256 ( -1.563 3.136 -1.648) 3.872 10.336 ( 5.222 4.951 -0.614) 7.222 10.440 ( -0.684 -2.188 -5.088) 5.581 10.537 ( 2.890 1.861 0.249) 3.447 10.629 ( -6.673 1.986 -3.189) 7.658 11.013 ( 2.464 -3.096 -2.738) 4.812 11.071 ( -4.410 0.310 -2.170) 4.925 11.320 ( 3.409 -3.667 -2.758) 5.716 11.369 ( 0.324 -6.210 1.352) 6.364 11.430 ( 1.090 -5.344 0.101) 5.455 11.553 ( -8.898 -0.646 0.602) 8.941 11.778 ( 7.185 0.696 -3.551) 8.045 11.908 ( -4.176 -1.035 -1.184) 4.462 12.180 ( 1.283 11.340 0.263) 11.415 12.276 ( -7.127 7.362 -1.562) 10.365 12.442 ( 4.389 -9.898 -3.182) 11.285 12.504 ( -2.552 -7.942 -3.541) 9.062 12.591 ( 4.773 -9.912 -1.619) 11.119 12.650 ( -1.228 -6.881 -0.980) 7.058 13.167 ( 6.366 -0.866 -8.498) 10.653 13.265 ( -2.203 -7.387 -4.159) 8.759 13.436 ( 4.370 -2.764 2.831) 5.895 13.543 ( -5.536 3.111 -1.581) 6.544 13.866 ( 5.641 -2.613 -2.919) 6.869 13.905 ( 13.433 0.880 -6.393) 14.903 13.983 ( -3.415 -5.314 -7.285) 9.642 14.205 ( -13.295 -6.231 -5.725) 15.760 14.579 ( 3.424 -1.175 3.079) 4.752 14.668 ( -4.755 -2.408 3.465) 6.357 15.189 ( 3.698 7.174 3.257) 8.704 15.227 ( 1.158 6.070 6.709) 9.121 15.681 ( 1.456 -0.890 10.780) 10.914 15.808 ( -11.505 -4.278 20.904) 24.241 19.495 ( 4.033 0.677 2.231) 4.658 19.575 ( -3.933 0.689 2.713) 4.827 20.093 ( 0.226 -4.751 1.229) 4.913 20.096 ( 0.059 -5.626 0.936) 5.704 20.853 ( 0.735 11.223 -2.688) 11.564 20.869 ( -0.905 11.458 -2.369) 11.735 21.713 ( 6.915 8.631 -20.079) 22.923 21.775 ( -1.069 2.299 -6.890) 7.342 21.887 ( 5.345 2.326 -4.584) 7.415 22.003 ( -5.360 1.444 -3.720) 6.682 22.100 ( 4.057 2.841 -8.264) 9.634 22.184 ( -3.893 2.587 -13.927) 14.690 22.951 ( 0.793 -0.091 3.880) 3.961 22.964 ( -0.509 -0.577 6.143) 6.191 23.395 ( 9.999 -4.299 20.608) 23.306 23.657 ( -17.339 -8.649 29.077) 34.942 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 34.277 17.652) 38.555 2.070 ( 0.000 29.227 36.164) 46.499 3.113 ( 0.000 52.256 27.113) 58.871 3.265 ( 0.000 28.217 5.035) 28.662 3.759 ( 0.000 8.972 13.407) 16.132 3.938 ( 0.000 -0.176 -6.338) 6.341 4.107 ( 0.000 -10.557 -2.467) 10.841 4.469 ( 0.000 0.580 -7.377) 7.400 4.649 ( 0.000 7.842 2.731) 8.304 4.870 ( 0.000 4.455 13.901) 14.597 4.986 ( 0.000 4.063 11.382) 12.086 5.089 ( 0.000 7.801 -6.317) 10.038 5.397 ( 0.000 -3.562 -2.280) 4.230 5.588 ( 0.000 12.157 -7.912) 14.505 6.119 ( 0.000 -2.070 4.426) 4.886 6.258 ( 0.000 -11.971 -1.906) 12.122 6.830 ( 0.000 -2.679 -6.931) 7.431 7.130 ( 0.000 8.054 -12.340) 14.736 7.143 ( 0.000 -3.261 7.530) 8.206 7.278 ( 0.000 14.937 -4.413) 15.576 7.568 ( 0.000 -2.303 6.375) 6.779 7.766 ( 0.000 -1.030 -6.289) 6.373 7.819 ( 0.000 -4.245 -1.978) 4.683 7.979 ( 0.000 -3.975 -0.783) 4.051 8.024 ( 0.000 -8.949 -3.632) 9.658 8.324 ( 0.000 -0.593 -0.063) 0.596 8.342 ( 0.000 8.076 -8.337) 11.608 8.535 ( 0.000 7.796 0.033) 7.796 8.642 ( 0.000 6.755 1.152) 6.853 8.730 ( 0.000 -9.511 3.214) 10.040 8.978 ( 0.000 -8.764 -5.855) 10.540 9.617 ( 0.000 21.895 -12.357) 25.141 9.865 ( 0.000 -5.060 -7.476) 9.027 10.055 ( 0.000 5.655 -7.006) 9.003 10.253 ( 0.000 8.050 -4.801) 9.373 10.314 ( 0.000 -0.463 0.016) 0.463 10.345 ( 0.000 -3.359 -9.733) 10.296 10.403 ( 0.000 6.554 -0.656) 6.587 10.549 ( 0.000 1.677 0.062) 1.678 10.681 ( 0.000 -1.007 2.246) 2.461 10.759 ( 0.000 11.155 1.483) 11.253 11.185 ( 0.000 -3.162 9.392) 9.910 11.242 ( 0.000 -5.309 -1.816) 5.611 11.263 ( 0.000 -5.841 3.076) 6.601 11.522 ( 0.000 5.257 0.173) 5.260 11.641 ( 0.000 -1.890 0.920) 2.102 11.758 ( 0.000 -6.901 1.205) 7.005 11.774 ( 0.000 -2.531 3.627) 4.423 12.049 ( 0.000 -6.368 -1.132) 6.468 12.309 ( 0.000 -7.140 -0.769) 7.181 12.334 ( 0.000 2.154 -8.144) 8.424 12.446 ( 0.000 3.268 -5.176) 6.121 12.498 ( 0.000 -17.406 -5.300) 18.195 12.620 ( 0.000 2.171 -7.324) 7.639 12.970 ( 0.000 -1.483 6.799) 6.959 12.989 ( 0.000 -6.999 0.582) 7.023 13.240 ( 0.000 -11.005 6.205) 12.634 13.426 ( 0.000 1.226 4.802) 4.956 13.749 ( 0.000 -8.774 -5.913) 10.581 13.808 ( 0.000 -1.790 -4.392) 4.743 14.018 ( 0.000 9.201 -3.138) 9.722 14.318 ( 0.000 -3.019 -4.544) 5.456 14.433 ( 0.000 -10.028 -16.650) 19.436 14.710 ( 0.000 -2.545 6.277) 6.774 15.311 ( 0.000 9.727 8.249) 12.754 15.387 ( 0.000 10.250 -1.041) 10.303 15.705 ( 0.000 -1.852 5.274) 5.589 15.926 ( 0.000 -10.983 19.057) 21.996 19.431 ( 0.000 1.811 1.322) 2.242 19.682 ( 0.000 1.462 2.930) 3.274 19.867 ( 0.000 -9.231 -0.274) 9.235 19.977 ( 0.000 -5.590 2.181) 6.000 21.139 ( 0.000 16.255 -3.694) 16.669 21.187 ( 0.000 13.396 -1.599) 13.491 21.754 ( 0.000 -0.913 -0.158) 0.927 21.838 ( 0.000 0.392 1.226) 1.288 21.957 ( 0.000 20.598 -37.800) 43.048 22.061 ( 0.000 1.721 -3.280) 3.704 22.148 ( 0.000 1.883 1.901) 2.676 22.261 ( 0.000 0.073 -13.986) 13.986 22.946 ( 0.000 -1.280 8.952) 9.043 22.953 ( 0.000 1.794 2.572) 3.136 23.148 ( 0.000 -3.919 10.632) 11.332 23.745 ( 0.000 -22.543 28.841) 36.605 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 15.581 30.182 15.917) 37.511 2.197 ( 12.584 27.522 32.174) 44.170 3.126 ( -9.896 28.826 8.802) 31.723 3.245 ( 3.451 34.826 19.102) 39.871 3.512 ( -13.390 20.531 14.244) 28.349 3.997 ( 0.682 2.663 1.796) 3.283 4.172 ( 5.363 -10.913 -1.580) 12.262 4.466 ( -1.176 -3.741 -4.419) 5.908 4.579 ( -3.537 12.127 1.194) 12.689 4.946 ( 5.724 1.003 8.592) 10.373 5.026 ( -6.777 7.817 -5.310) 11.629 5.058 ( 6.143 3.251 10.577) 12.657 5.415 ( 1.507 -1.979 -1.999) 3.191 5.552 ( -3.392 11.002 -7.399) 13.685 6.078 ( -2.304 -3.999 0.917) 4.705 6.245 ( -2.288 -9.962 1.971) 10.410 6.823 ( -0.482 1.918 -6.080) 6.394 6.990 ( -8.478 6.728 -0.024) 10.824 7.213 ( 4.556 7.840 -10.001) 13.500 7.399 ( 9.473 6.528 -0.903) 11.540 7.594 ( 0.611 -4.250 3.990) 5.862 7.725 ( -3.732 2.284 -5.874) 7.324 7.824 ( 1.194 -3.833 -1.494) 4.283 7.956 ( -4.931 -9.233 -2.003) 10.657 7.993 ( 1.060 -3.956 -2.874) 5.003 8.164 ( -7.636 4.866 -4.133) 9.953 8.363 ( -4.646 8.045 2.030) 9.509 8.485 ( -2.080 -2.208 0.842) 3.148 8.697 ( 7.507 5.595 -2.599) 9.717 8.935 ( 13.582 -6.720 -0.613) 15.166 9.087 ( 9.117 -9.446 -5.491) 14.230 9.497 ( -10.780 18.384 -10.955) 23.962 9.884 ( 1.299 -3.687 -5.485) 6.735 9.975 ( -4.729 4.927 -4.736) 8.311 10.224 ( -1.750 4.810 -2.199) 5.570 10.336 ( 1.203 2.966 -6.651) 7.381 10.399 ( 3.202 0.473 -7.282) 7.968 10.458 ( -0.372 7.863 -4.990) 9.320 10.544 ( 3.720 3.444 0.654) 5.112 10.713 ( 2.731 -1.655 0.963) 3.336 10.804 ( 3.585 2.091 2.026) 4.618 11.150 ( -3.397 -6.986 11.662) 14.013 11.207 ( -2.741 -0.144 0.608) 2.811 11.257 ( -0.068 -5.213 0.552) 5.242 11.451 ( -4.621 2.580 0.400) 5.307 11.653 ( -2.306 1.172 -0.812) 2.712 11.741 ( -1.710 -2.415 -3.254) 4.398 11.821 ( 5.041 -6.165 6.940) 10.563 12.093 ( 4.124 -9.706 -2.346) 10.803 12.281 ( -1.591 -8.153 -0.736) 8.339 12.377 ( 3.864 1.559 -5.669) 7.035 12.430 ( -3.086 -3.799 -6.451) 8.097 12.488 ( 0.011 0.323 -1.999) 2.025 12.593 ( -1.795 -0.443 -5.618) 5.915 12.942 ( 0.402 -9.680 3.749) 10.388 13.111 ( 3.995 -4.940 -1.494) 6.526 13.204 ( 1.996 -8.788 6.311) 11.002 13.524 ( 7.358 -1.030 4.611) 8.744 13.720 ( -3.282 -6.022 -5.058) 8.522 13.814 ( 1.290 -4.946 -3.290) 6.078 14.018 ( -0.093 8.979 -3.855) 9.772 14.259 ( -5.489 -4.208 -10.950) 12.952 14.462 ( 2.432 -6.871 -8.968) 11.556 14.686 ( -2.503 -2.806 5.950) 7.039 15.339 ( 2.310 8.543 6.943) 11.249 15.367 ( -1.405 10.107 0.823) 10.238 15.682 ( -1.948 -1.410 5.923) 6.392 15.857 ( -6.067 -7.426 16.672) 19.233 19.455 ( 2.450 1.840 1.525) 3.422 19.660 ( -2.241 1.599 2.914) 4.008 19.895 ( 2.437 -9.223 -0.021) 9.540 19.976 ( -0.164 -5.844 2.044) 6.193 21.142 ( 0.300 16.212 -3.578) 16.605 21.180 ( -0.650 14.240 -1.938) 14.386 21.763 ( 0.901 -0.722 -0.378) 1.214 21.832 ( -0.579 0.510 0.264) 0.816 21.969 ( 1.094 14.461 -25.745) 29.549 22.068 ( -0.319 1.019 -4.101) 4.238 22.143 ( 0.834 4.903 -6.375) 8.085 22.266 ( -0.004 0.692 -14.684) 14.700 22.948 ( 0.196 -1.035 8.168) 8.235 22.953 ( 0.048 1.395 3.491) 3.760 23.179 ( 3.258 -4.572 12.417) 13.627 23.643 ( -9.198 -17.849 27.494) 34.046 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 24.191 23.441 12.544) 35.945 2.522 ( 19.915 23.678 23.463) 38.830 2.812 ( -21.067 22.824 10.155) 32.678 2.947 ( -23.490 17.024 13.767) 32.111 3.657 ( 16.160 32.104 21.270) 41.764 3.918 ( -9.265 14.812 12.019) 21.206 4.282 ( 5.817 -12.301 -1.726) 13.716 4.389 ( -5.279 -9.415 -1.547) 10.904 4.623 ( 7.508 13.897 -4.249) 16.356 4.830 ( -12.214 12.050 -5.300) 17.958 5.066 ( 6.074 -0.786 8.070) 10.131 5.138 ( 0.185 -1.559 8.581) 8.724 5.442 ( 1.453 2.319 -3.678) 4.585 5.485 ( -2.936 5.844 -5.923) 8.824 6.081 ( 2.831 -4.707 0.523) 5.517 6.166 ( -5.088 -7.792 2.610) 9.665 6.821 ( 0.603 8.260 -5.365) 9.868 6.863 ( -4.153 9.743 -3.891) 11.283 7.324 ( 6.955 5.274 -7.942) 11.801 7.486 ( -9.275 0.159 -4.164) 10.168 7.576 ( 7.739 4.379 0.977) 8.945 7.681 ( -2.917 2.888 0.693) 4.163 7.875 ( 4.157 1.341 -1.340) 4.569 7.940 ( 3.030 -8.296 -3.126) 9.369 7.987 ( -2.729 -0.545 -3.544) 4.506 8.038 ( -5.024 0.875 -3.824) 6.374 8.309 ( 1.276 0.791 3.540) 3.845 8.401 ( -6.254 -3.853 0.457) 7.360 8.904 ( 12.969 7.640 -5.208) 15.928 9.120 ( -1.864 0.631 -6.457) 6.751 9.213 ( 4.017 -7.367 -5.151) 9.846 9.297 ( -5.135 1.989 -3.628) 6.594 9.903 ( 0.615 -0.616 -3.040) 3.162 9.918 ( -1.349 3.271 -2.631) 4.410 10.232 ( 3.103 2.814 -4.514) 6.158 10.317 ( -3.984 2.085 -7.479) 8.726 10.437 ( 1.114 3.123 -8.890) 9.488 10.448 ( 0.742 4.435 -8.184) 9.338 10.614 ( 2.990 6.251 2.799) 7.473 10.692 ( -4.480 4.134 2.812) 6.713 10.933 ( 8.299 -4.187 0.019) 9.295 11.067 ( -5.325 -2.018 4.777) 7.433 11.182 ( 0.946 -4.174 6.288) 7.606 11.233 ( -3.026 -6.372 4.612) 8.428 11.423 ( 3.066 1.413 -0.839) 3.478 11.539 ( -7.485 -0.640 0.852) 7.561 11.773 ( 4.132 -0.832 -3.408) 5.420 11.852 ( -2.483 -3.761 0.664) 4.555 12.178 ( 4.318 -11.495 -1.411) 12.360 12.255 ( -2.805 -12.784 0.974) 13.124 12.394 ( 2.079 2.093 -7.485) 8.046 12.459 ( -2.274 0.994 -5.140) 5.708 12.474 ( 4.242 5.408 -0.389) 6.884 12.554 ( -2.938 0.576 -1.695) 3.440 12.980 ( 3.380 -13.644 1.564) 14.143 13.061 ( -4.480 -13.277 0.047) 14.013 13.379 ( 10.585 -2.436 0.911) 10.900 13.555 ( -6.553 -1.822 -1.300) 6.925 13.736 ( 6.727 -6.843 2.845) 10.008 13.830 ( -1.343 -8.740 1.469) 8.964 14.028 ( 2.255 7.800 -9.403) 12.424 14.128 ( -7.156 -0.279 -14.334) 16.023 14.524 ( 4.098 -4.072 -1.247) 5.911 14.614 ( -4.681 -3.289 3.583) 6.751 15.358 ( 0.892 8.397 2.760) 8.884 15.373 ( 0.289 7.359 4.873) 8.831 15.663 ( 1.041 -0.815 8.372) 8.476 15.734 ( -5.714 -2.621 12.099) 13.635 19.520 ( 4.016 1.834 2.004) 4.848 19.599 ( -3.875 1.753 2.559) 4.964 19.941 ( 1.968 -8.177 0.779) 8.446 19.967 ( -0.808 -6.728 1.578) 6.958 21.151 ( 0.626 16.012 -3.197) 16.340 21.165 ( -0.783 15.419 -2.593) 15.655 21.787 ( 1.420 -0.140 -0.908) 1.691 21.814 ( -1.273 0.479 -0.986) 1.680 21.996 ( 1.765 6.413 -9.965) 11.981 22.036 ( -2.242 2.074 -2.841) 4.172 22.193 ( 3.337 5.416 -17.537) 18.655 22.248 ( -1.972 2.709 -17.245) 17.568 22.952 ( 0.164 -0.380 6.570) 6.583 22.954 ( -0.034 0.485 5.184) 5.207 23.278 ( 6.972 -6.653 17.181) 19.699 23.446 ( -10.066 -10.861 23.041) 27.389 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 0.000 34.398 10.453) 35.951 2.714 ( 0.000 32.705 22.598) 39.753 3.665 ( 0.000 -12.740 0.163) 12.741 3.709 ( 0.000 11.123 3.871) 11.778 3.905 ( 0.000 -1.210 2.723) 2.980 3.911 ( 0.000 -2.649 -1.545) 3.067 4.221 ( 0.000 29.460 18.630) 34.856 4.277 ( 0.000 -10.250 6.145) 11.951 4.771 ( 0.000 12.313 4.306) 13.044 4.866 ( 0.000 0.580 15.236) 15.247 5.205 ( 0.000 9.201 9.137) 12.967 5.225 ( 0.000 0.972 -9.216) 9.268 5.508 ( 0.000 8.889 0.774) 8.922 5.716 ( 0.000 1.013 -7.550) 7.617 6.038 ( 0.000 -8.233 -1.887) 8.446 6.042 ( 0.000 -5.813 5.790) 8.204 6.775 ( 0.000 3.695 -3.315) 4.964 7.148 ( 0.000 -5.460 -7.138) 8.987 7.282 ( 0.000 9.307 0.993) 9.360 7.315 ( 0.000 -3.132 2.092) 3.766 7.560 ( 0.000 -4.378 -2.433) 5.009 7.658 ( 0.000 -14.272 -3.279) 14.644 7.906 ( 0.000 2.835 -2.966) 4.103 8.038 ( 0.000 9.525 3.320) 10.087 8.039 ( 0.000 23.752 -6.678) 24.673 8.215 ( 0.000 -8.598 -7.061) 11.126 8.421 ( 0.000 1.400 -2.086) 2.512 8.560 ( 0.000 -6.437 5.242) 8.301 8.697 ( 0.000 3.365 -8.077) 8.750 8.791 ( 0.000 -10.331 -5.310) 11.616 8.941 ( 0.000 23.281 -4.169) 23.652 9.712 ( 0.000 -7.852 -7.619) 10.941 9.878 ( 0.000 0.089 -17.564) 17.565 10.096 ( 0.000 -19.492 -6.253) 20.470 10.197 ( 0.000 3.927 -7.943) 8.861 10.284 ( 0.000 5.232 -2.314) 5.721 10.330 ( 0.000 -1.385 -10.076) 10.170 10.525 ( 0.000 2.696 -6.342) 6.892 10.617 ( 0.000 4.883 0.987) 4.981 10.799 ( 0.000 11.751 2.859) 12.094 10.829 ( 0.000 -3.774 10.072) 10.756 11.169 ( 0.000 -3.731 -2.882) 4.715 11.197 ( 0.000 1.394 8.938) 9.046 11.284 ( 0.000 13.247 10.487) 16.895 11.560 ( 0.000 -6.297 12.599) 14.085 11.629 ( 0.000 4.139 -1.298) 4.337 11.689 ( 0.000 -0.339 -8.118) 8.125 11.717 ( 0.000 -1.758 2.519) 3.072 11.955 ( 0.000 -6.934 2.677) 7.433 12.114 ( 0.000 -17.797 -8.828) 19.866 12.171 ( 0.000 -1.194 -1.277) 1.748 12.330 ( 0.000 -0.760 -1.668) 1.833 12.497 ( 0.000 -0.087 -2.254) 2.255 12.645 ( 0.000 -1.321 -7.243) 7.362 12.854 ( 0.000 -4.144 5.107) 6.577 12.917 ( 0.000 -7.086 3.602) 7.949 13.115 ( 0.000 3.726 11.024) 11.637 13.489 ( 0.000 4.358 0.360) 4.373 13.523 ( 0.000 -11.464 -0.318) 11.469 13.743 ( 0.000 -5.025 0.538) 5.054 14.236 ( 0.000 7.688 -4.424) 8.870 14.265 ( 0.000 -5.276 -19.073) 19.789 14.265 ( 0.000 0.737 -7.875) 7.910 14.620 ( 0.000 -6.222 1.681) 6.445 15.477 ( 0.000 6.359 6.571) 9.144 15.560 ( 0.000 5.915 0.534) 5.939 15.670 ( 0.000 -1.223 6.316) 6.433 15.785 ( 0.000 -4.306 9.152) 10.114 19.481 ( 0.000 3.147 1.000) 3.302 19.681 ( 0.000 -5.409 -0.248) 5.415 19.739 ( 0.000 0.748 3.548) 3.626 19.871 ( 0.000 -4.475 2.740) 5.248 21.412 ( 0.000 10.196 -1.180) 10.264 21.505 ( 0.000 15.840 -3.729) 16.273 21.698 ( 0.000 -4.079 1.056) 4.213 21.842 ( 0.000 -0.632 0.100) 0.640 22.071 ( 0.000 0.050 -3.198) 3.199 22.177 ( 0.000 -1.095 -15.313) 15.352 22.228 ( 0.000 4.790 -4.170) 6.351 22.271 ( 0.000 3.782 -20.441) 20.788 22.934 ( 0.000 0.545 8.354) 8.372 23.009 ( 0.000 3.478 5.410) 6.432 23.063 ( 0.000 -3.614 9.784) 10.430 23.374 ( 0.000 -14.091 20.132) 24.573 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 9.229 31.932 9.924) 34.688 2.809 ( 9.473 31.260 20.611) 38.623 3.549 ( -13.284 10.533 4.413) 17.518 3.661 ( -8.248 10.067 3.724) 13.537 3.786 ( -0.570 -9.954 2.737) 10.339 3.988 ( 2.263 -9.338 0.104) 9.608 4.250 ( -2.127 -12.862 2.731) 13.320 4.272 ( 3.738 22.110 15.434) 27.222 4.720 ( -4.186 9.742 6.176) 12.271 4.838 ( -3.203 -0.662 13.499) 13.889 5.144 ( -3.921 3.335 -1.155) 5.275 5.219 ( -1.039 3.583 2.939) 4.749 5.578 ( 5.579 11.024 1.016) 12.397 5.722 ( 0.478 5.434 -6.945) 8.831 6.004 ( -1.078 -3.248 0.560) 3.467 6.058 ( -0.513 -8.084 4.460) 9.247 6.844 ( 6.475 5.295 -4.288) 9.400 7.193 ( 3.821 -6.114 -6.219) 9.522 7.242 ( -2.309 12.408 -2.714) 12.910 7.423 ( 9.376 -2.310 1.712) 9.807 7.572 ( -0.570 -2.847 -2.820) 4.048 7.667 ( 1.328 -11.942 -2.162) 12.208 7.831 ( -6.084 4.600 -0.845) 7.674 8.013 ( -1.332 6.786 0.556) 6.938 8.065 ( 1.083 20.857 -6.407) 21.845 8.148 ( -5.927 -5.047 -2.761) 8.260 8.409 ( -1.691 -3.130 -1.125) 3.731 8.506 ( -4.163 -1.296 3.256) 5.442 8.771 ( 7.250 0.806 -9.675) 12.116 8.859 ( 6.411 -9.503 -5.662) 12.785 8.969 ( 2.225 12.917 -5.689) 14.289 9.668 ( -10.237 -3.951 -16.450) 19.774 9.807 ( 2.029 -1.811 -3.350) 4.315 10.132 ( -3.708 3.872 -6.315) 8.284 10.167 ( 0.232 -7.005 -5.995) 9.224 10.323 ( 4.177 -3.916 -8.781) 10.482 10.381 ( 3.685 0.073 -7.447) 8.310 10.563 ( 4.505 -1.420 -4.091) 6.249 10.592 ( -2.322 4.940 -1.968) 5.802 10.771 ( -1.854 4.381 5.278) 7.106 10.860 ( 2.336 4.701 6.765) 8.562 11.149 ( -3.070 5.106 10.729) 12.272 11.171 ( -0.249 -2.404 -2.180) 3.255 11.268 ( -2.390 6.635 12.146) 14.045 11.480 ( -4.529 0.668 2.194) 5.076 11.626 ( -5.437 -4.541 -1.755) 7.299 11.691 ( 2.077 -5.154 2.820) 6.231 11.768 ( 4.724 5.149 -1.464) 7.139 11.951 ( 0.513 -7.461 0.684) 7.510 12.050 ( -2.847 -8.619 -5.030) 10.378 12.287 ( 6.346 -5.450 -6.933) 10.865 12.353 ( 2.297 -4.971 -0.198) 5.480 12.512 ( 1.800 0.614 0.231) 1.916 12.636 ( -0.399 0.734 -6.126) 6.183 12.791 ( -3.692 -4.352 5.297) 7.787 12.912 ( -3.785 -9.171 4.093) 10.733 13.180 ( 7.374 4.442 7.129) 11.177 13.513 ( 1.330 -2.134 -1.321) 2.840 13.555 ( 3.026 -6.467 1.355) 7.267 13.706 ( -3.529 -5.672 1.466) 6.839 14.197 ( -2.212 1.409 -12.900) 13.164 14.240 ( -1.280 8.613 -6.060) 10.609 14.331 ( 4.038 -5.495 -10.335) 12.382 14.594 ( -2.634 -6.106 1.300) 6.776 15.488 ( 1.000 5.839 5.812) 8.300 15.543 ( -1.448 6.501 1.660) 6.864 15.654 ( -1.306 -1.245 6.352) 6.603 15.754 ( -2.917 -3.559 8.271) 9.465 19.507 ( 2.560 3.261 1.199) 4.316 19.695 ( -0.153 -0.461 1.244) 1.336 19.733 ( 0.785 -4.076 2.078) 4.642 19.863 ( -0.879 -4.866 2.527) 5.553 21.422 ( 0.939 10.624 -1.380) 10.754 21.497 ( -0.814 15.137 -3.436) 15.543 21.711 ( 1.325 -3.940 0.920) 4.257 21.830 ( -1.264 -1.318 0.023) 1.826 22.070 ( 0.232 1.200 -3.044) 3.280 22.169 ( -1.248 4.202 -12.877) 13.602 22.236 ( 1.078 0.014 -7.607) 7.683 22.276 ( 0.327 3.055 -19.719) 19.957 22.941 ( 0.694 0.752 8.215) 8.278 23.002 ( -0.722 3.506 6.246) 7.200 23.079 ( 1.808 -4.656 10.425) 11.560 23.330 ( -4.161 -12.525 19.263) 23.350 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 16.602 25.447 8.551) 31.564 3.054 ( 14.168 27.037 14.616) 33.843 3.229 ( -17.406 18.918 8.591) 27.104 3.388 ( -16.647 23.355 10.005) 30.375 3.872 ( 6.200 -17.031 2.134) 18.250 3.977 ( -3.727 -12.578 2.182) 13.299 4.247 ( 2.521 -11.083 -1.354) 11.446 4.304 ( -1.409 4.524 5.980) 7.630 4.667 ( 0.484 7.610 9.325) 12.046 4.742 ( -5.855 0.786 11.079) 12.556 5.121 ( 1.712 1.274 4.013) 4.546 5.178 ( -3.111 0.308 5.287) 6.142 5.675 ( 3.883 13.639 -0.989) 14.216 5.721 ( -0.938 12.491 -4.253) 13.228 6.006 ( 1.050 -3.006 1.293) 3.437 6.033 ( -1.582 -5.083 4.068) 6.700 6.996 ( 8.544 10.250 -5.653) 14.492 7.149 ( -6.459 14.301 -5.917) 16.770 7.317 ( 7.703 -2.753 -5.182) 9.683 7.481 ( -7.931 -0.395 -4.080) 8.928 7.623 ( 7.813 -0.032 -1.135) 7.895 7.714 ( -1.611 -3.447 -0.949) 3.921 7.754 ( 5.469 -5.203 0.797) 7.590 7.944 ( -8.497 -2.731 -1.692) 9.085 8.051 ( -0.032 3.172 0.464) 3.206 8.079 ( -1.327 10.283 -0.399) 10.376 8.378 ( 0.066 2.012 -1.139) 2.313 8.425 ( -3.875 4.761 0.577) 6.165 8.918 ( 5.967 -7.130 -10.934) 14.353 8.982 ( -0.224 -4.548 -8.904) 10.001 9.066 ( 14.023 -0.788 -7.844) 16.087 9.385 ( -16.949 -0.579 -12.652) 21.159 9.907 ( 6.149 1.822 -0.969) 6.486 10.023 ( -5.870 6.343 -2.482) 8.992 10.214 ( 4.325 -5.912 -6.839) 10.021 10.312 ( -4.411 -3.555 -9.650) 11.190 10.465 ( 4.049 0.684 -7.300) 8.376 10.536 ( -3.328 3.389 -5.766) 7.471 10.682 ( 5.374 -6.593 0.345) 8.513 10.739 ( -1.538 0.079 4.944) 5.178 10.930 ( 5.654 7.923 2.735) 10.110 11.065 ( -6.632 4.956 2.287) 8.589 11.171 ( 1.285 2.125 10.931) 11.209 11.214 ( -2.628 3.315 13.007) 13.678 11.440 ( 0.859 1.515 -2.629) 3.153 11.507 ( -5.555 -1.977 -2.384) 6.360 11.739 ( 3.175 -5.578 1.661) 6.629 11.800 ( -1.980 -2.384 0.094) 3.101 11.986 ( 2.430 -5.476 -0.335) 6.000 12.017 ( -0.975 -3.247 -5.195) 6.204 12.366 ( 2.617 -5.324 -8.978) 10.761 12.393 ( 0.395 -7.177 -2.987) 7.784 12.575 ( 4.397 0.809 2.996) 5.382 12.638 ( -0.639 4.285 -0.729) 4.394 12.739 ( -0.399 -7.711 4.184) 8.782 12.805 ( -5.770 -7.227 4.013) 10.081 13.353 ( 9.246 0.916 2.476) 9.616 13.498 ( -4.413 -2.596 -1.119) 5.241 13.606 ( 1.946 -5.645 0.771) 6.021 13.640 ( -2.179 -8.901 2.354) 9.461 14.177 ( 0.435 5.111 -10.982) 12.121 14.206 ( -2.042 8.209 -7.055) 11.015 14.420 ( 5.072 -5.719 -5.282) 9.292 14.520 ( -4.841 -5.839 -0.854) 7.632 15.506 ( 0.663 5.625 4.191) 7.046 15.520 ( -0.857 6.411 3.736) 7.470 15.643 ( 0.854 -1.326 6.432) 6.622 15.688 ( -3.372 -2.189 6.954) 8.032 19.573 ( 3.959 3.328 1.729) 5.453 19.649 ( -3.584 3.063 2.343) 5.265 19.783 ( 3.098 -6.835 1.104) 7.585 19.835 ( -2.103 -5.853 1.898) 6.503 21.446 ( 1.469 11.817 -1.936) 12.065 21.475 ( -1.390 13.509 -2.717) 13.850 21.747 ( 2.266 -3.505 0.565) 4.212 21.794 ( -2.333 -2.634 0.168) 3.522 22.089 ( 1.764 3.995 -4.265) 6.105 22.131 ( -2.314 5.959 -7.666) 9.982 22.261 ( 1.236 -0.958 -13.874) 13.962 22.277 ( -0.349 1.009 -17.814) 17.846 22.959 ( 1.132 1.453 7.792) 8.007 22.983 ( -1.219 2.584 7.215) 7.760 23.137 ( 4.100 -6.554 13.172) 15.273 23.232 ( -5.427 -9.349 16.718) 19.908 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 0.000 -28.040 4.818) 28.451 3.179 ( 0.000 28.040 4.818) 28.451 3.397 ( 0.000 -30.163 9.107) 31.508 3.397 ( 0.000 30.163 9.107) 31.508 3.890 ( 0.000 -1.225 0.649) 1.387 3.890 ( 0.000 1.225 0.649) 1.387 4.372 ( 0.000 -9.676 14.539) 17.464 4.372 ( 0.000 9.676 14.539) 17.464 5.072 ( 0.000 -5.964 -1.179) 6.080 5.072 ( 0.000 5.964 -1.179) 6.079 5.144 ( 0.000 -8.691 9.322) 12.745 5.144 ( 0.000 8.691 9.322) 12.745 5.674 ( 0.000 -5.752 -0.330) 5.761 5.674 ( 0.000 5.752 -0.330) 5.761 5.948 ( 0.000 -0.199 1.177) 1.194 5.948 ( 0.000 0.199 1.177) 1.194 6.958 ( 0.000 -11.108 -2.705) 11.433 6.958 ( 0.000 11.108 -2.705) 11.433 7.367 ( 0.000 -8.352 -1.642) 8.512 7.367 ( 0.000 8.352 -1.642) 8.512 7.448 ( 0.000 -4.986 -1.879) 5.329 7.448 ( 0.000 4.986 -1.879) 5.329 8.032 ( 0.000 -8.065 -8.447) 11.678 8.032 ( 0.000 8.065 -8.447) 11.678 8.307 ( 0.000 -8.923 3.679) 9.651 8.307 ( 0.000 8.923 3.679) 9.651 8.442 ( 0.000 -1.381 3.033) 3.333 8.442 ( 0.000 1.381 3.033) 3.333 8.671 ( 0.000 -3.193 -12.630) 13.028 8.671 ( 0.000 3.193 -12.630) 13.028 9.468 ( 0.000 -23.029 -12.517) 26.211 9.468 ( 0.000 23.029 -12.517) 26.211 9.779 ( 0.000 -0.254 -3.180) 3.190 9.779 ( 0.000 0.254 -3.180) 3.190 10.261 ( 0.000 -4.027 -6.180) 7.377 10.261 ( 0.000 4.027 -6.180) 7.377 10.474 ( 0.000 -7.371 -11.931) 14.024 10.474 ( 0.000 7.371 -11.931) 14.024 10.726 ( 0.000 -5.399 4.896) 7.288 10.726 ( 0.000 5.399 4.896) 7.288 11.040 ( 0.000 -9.322 0.930) 9.368 11.040 ( 0.000 9.322 0.930) 9.368 11.334 ( 0.000 -9.365 17.258) 19.635 11.334 ( 0.000 9.365 17.258) 19.635 11.637 ( 0.000 -9.554 1.733) 9.710 11.637 ( 0.000 9.554 1.733) 9.710 11.684 ( 0.000 -2.340 -4.368) 4.955 11.684 ( 0.000 2.340 -4.368) 4.955 11.833 ( 0.000 -6.680 -1.251) 6.797 11.833 ( 0.000 6.680 -1.251) 6.797 12.275 ( 0.000 -6.623 -6.065) 8.981 12.275 ( 0.000 6.623 -6.065) 8.981 12.533 ( 0.000 -6.554 1.287) 6.679 12.533 ( 0.000 6.554 1.287) 6.679 12.827 ( 0.000 -0.907 5.722) 5.794 12.827 ( 0.000 0.907 5.722) 5.794 13.287 ( 0.000 -10.677 4.186) 11.468 13.287 ( 0.000 10.677 4.186) 11.468 13.610 ( 0.000 -6.865 -0.669) 6.898 13.610 ( 0.000 6.865 -0.669) 6.898 14.221 ( 0.000 -0.440 -14.122) 14.129 14.221 ( 0.000 0.440 -14.122) 14.129 14.457 ( 0.000 -9.284 -1.620) 9.424 14.457 ( 0.000 9.284 -1.620) 9.424 15.577 ( 0.000 -3.224 4.952) 5.909 15.577 ( 0.000 3.224 4.952) 5.909 15.706 ( 0.000 -3.743 5.116) 6.340 15.706 ( 0.000 3.743 5.116) 6.340 19.564 ( 0.000 -4.880 0.490) 4.904 19.564 ( 0.000 4.880 0.490) 4.904 19.791 ( 0.000 -3.285 3.175) 4.569 19.791 ( 0.000 3.285 3.175) 4.569 21.587 ( 0.000 -6.786 0.249) 6.790 21.587 ( 0.000 6.786 0.249) 6.790 21.765 ( 0.000 -8.090 -2.294) 8.409 21.765 ( 0.000 8.090 -2.294) 8.409 22.098 ( 0.000 -3.269 -6.839) 7.580 22.098 ( 0.000 3.269 -6.839) 7.580 22.304 ( 0.000 -1.619 -12.569) 12.673 22.304 ( 0.000 1.619 -12.569) 12.673 22.974 ( 0.000 -3.191 7.534) 8.182 22.974 ( 0.000 3.191 7.534) 8.182 23.144 ( 0.000 -8.347 12.710) 15.206 23.144 ( 0.000 8.347 12.710) 15.206 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 5.332 -26.815 4.783) 27.755 3.231 ( 5.332 26.815 4.783) 27.755 3.459 ( 5.880 -27.351 8.217) 29.158 3.459 ( 5.880 27.351 8.217) 29.158 3.823 ( -6.094 -3.571 1.700) 7.265 3.823 ( -6.094 3.571 1.700) 7.265 4.254 ( -11.242 -13.916 11.525) 21.281 4.254 ( -11.242 13.916 11.525) 21.281 5.024 ( -3.542 -13.218 2.139) 13.850 5.024 ( -3.542 13.218 2.139) 13.850 5.109 ( -3.254 -13.619 8.605) 16.435 5.109 ( -3.254 13.619 8.605) 16.435 5.757 ( 6.836 -4.390 0.457) 8.137 5.757 ( 6.836 4.390 0.457) 8.137 5.952 ( 0.241 -0.076 0.881) 0.917 5.952 ( 0.241 0.076 0.881) 0.917 7.023 ( 6.734 -9.808 -4.006) 12.553 7.023 ( 6.734 9.808 -4.006) 12.553 7.425 ( 3.878 -4.490 -3.184) 6.733 7.425 ( 3.878 4.490 -3.184) 6.733 7.477 ( 3.404 -3.247 -0.675) 4.753 7.477 ( 3.404 3.247 -0.675) 4.753 7.983 ( -5.703 -8.449 -7.047) 12.392 7.983 ( -5.703 8.449 -7.047) 12.392 8.257 ( -3.637 -11.025 5.071) 12.669 8.257 ( -3.637 11.025 5.071) 12.669 8.405 ( -3.596 -8.898 1.816) 9.767 8.405 ( -3.596 8.898 1.816) 9.767 8.739 ( 7.276 -5.720 -12.978) 15.940 8.739 ( 7.276 5.720 -12.978) 15.940 9.392 ( -7.112 -20.991 -14.049) 26.241 9.392 ( -7.112 20.991 -14.049) 26.241 9.863 ( 7.179 -9.723 -1.886) 12.232 9.863 ( 7.179 9.723 -1.886) 12.232 10.262 ( -1.272 -2.963 -7.355) 8.031 10.262 ( -1.272 2.963 -7.355) 8.031 10.472 ( 0.954 -6.993 -8.519) 11.063 10.472 ( 0.954 6.993 -8.519) 11.063 10.704 ( -2.302 -5.627 3.922) 7.235 10.704 ( -2.302 5.627 3.922) 7.235 11.067 ( 2.621 -8.889 1.627) 9.409 11.067 ( 2.621 8.889 1.627) 9.409 11.286 ( -4.159 -6.001 15.317) 16.968 11.286 ( -4.159 6.001 15.317) 16.968 11.575 ( -2.960 -0.804 -3.138) 4.388 11.575 ( -2.960 0.804 -3.138) 4.388 11.664 ( -2.619 -11.135 0.539) 11.451 11.664 ( -2.619 11.135 0.539) 11.451 11.940 ( 7.923 -5.682 -1.532) 9.870 11.940 ( 7.923 5.682 -1.532) 9.870 12.262 ( -1.769 -2.670 -5.889) 6.704 12.262 ( -1.769 2.670 -5.889) 6.704 12.550 ( 2.230 -4.825 1.899) 5.644 12.550 ( 2.230 4.825 1.899) 5.644 12.797 ( -2.823 -3.344 4.999) 6.643 12.797 ( -2.823 3.344 4.999) 6.643 13.335 ( 4.369 -9.438 3.345) 10.925 13.335 ( 4.369 9.438 3.345) 10.925 13.590 ( -2.147 -4.724 -0.426) 5.207 13.590 ( -2.147 4.724 -0.426) 5.207 14.237 ( 1.852 -3.429 -12.337) 12.938 14.237 ( 1.852 3.429 -12.337) 12.938 14.437 ( -2.083 -8.872 -2.191) 9.373 14.437 ( -2.083 8.872 -2.191) 9.373 15.579 ( 0.278 -2.759 4.850) 5.587 15.579 ( 0.278 2.759 4.850) 5.587 15.681 ( -2.292 -3.676 5.057) 6.659 15.681 ( -2.292 3.676 5.057) 6.659 19.592 ( 2.746 -5.000 0.720) 5.749 19.592 ( 2.746 5.000 0.720) 5.749 19.775 ( -1.658 -3.638 2.909) 4.944 19.775 ( -1.658 3.638 2.909) 4.944 21.601 ( 1.437 -6.839 0.073) 6.989 21.601 ( 1.437 6.839 0.073) 6.989 21.743 ( -2.108 -7.897 -1.882) 8.388 21.743 ( -2.108 7.897 -1.882) 8.388 22.125 ( 2.548 -4.143 -7.633) 9.051 22.125 ( 2.548 4.143 -7.633) 9.051 22.289 ( -1.477 -2.311 -12.219) 12.523 22.289 ( -1.477 2.311 -12.219) 12.523 22.986 ( 1.168 -3.435 8.116) 8.890 22.986 ( 1.168 3.435 8.116) 8.890 23.122 ( -2.093 -7.618 12.364) 14.673 23.122 ( -2.093 7.618 12.364) 14.673 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 9.034 -22.183 4.717) 24.413 3.375 ( 9.034 22.183 4.717) 24.413 3.531 ( -3.636 -11.675 5.309) 13.331 3.531 ( -3.636 11.675 5.309) 13.331 3.763 ( 5.562 -15.815 4.916) 17.471 3.763 ( 5.562 15.815 4.916) 17.471 3.990 ( -14.439 -19.799 7.162) 25.530 3.990 ( -14.439 19.799 7.162) 25.530 4.986 ( 0.268 -13.870 6.599) 15.363 4.986 ( 0.268 13.870 6.599) 15.363 5.033 ( -3.957 -14.069 8.491) 16.902 5.033 ( -3.957 14.069 8.491) 16.902 5.881 ( 5.087 -2.895 0.725) 5.898 5.881 ( 5.087 2.895 0.725) 5.898 5.944 ( -1.509 -1.025 0.424) 1.873 5.944 ( -1.509 1.025 0.424) 1.873 7.205 ( 11.115 -8.316 -6.022) 15.132 7.205 ( 11.115 8.316 -6.022) 15.132 7.394 ( -6.683 -8.040 -6.267) 12.189 7.394 ( -6.683 8.040 -6.267) 12.189 7.622 ( 9.618 -1.259 0.790) 9.732 7.622 ( 9.618 1.259 0.790) 9.732 7.816 ( -10.159 -7.124 -1.349) 12.481 7.816 ( -10.159 7.124 -1.349) 12.481 8.235 ( 1.769 -12.586 3.086) 13.079 8.235 ( 1.769 12.586 3.086) 13.079 8.311 ( -5.327 -12.633 1.910) 13.843 8.311 ( -5.327 12.633 1.910) 13.843 8.947 ( 13.244 -9.513 -14.013) 21.501 8.947 ( 13.244 9.513 -14.013) 21.501 9.204 ( -12.118 -15.191 -14.850) 24.457 9.204 ( -12.118 15.191 -14.850) 24.457 10.017 ( 8.304 -9.120 -2.399) 12.565 10.017 ( 8.304 9.120 -2.399) 12.565 10.173 ( -7.225 -7.743 -5.889) 12.117 10.173 ( -7.225 7.743 -5.889) 12.117 10.539 ( 5.197 -6.184 -2.901) 8.583 10.539 ( 5.197 6.184 -2.901) 8.583 10.638 ( -4.454 -6.246 1.093) 7.748 10.638 ( -4.454 6.246 1.093) 7.748 11.132 ( 3.742 -7.459 3.453) 9.032 11.132 ( 3.742 7.459 3.453) 9.032 11.205 ( -3.875 -3.828 8.279) 9.911 11.205 ( -3.875 3.828 8.279) 9.911 11.554 ( 0.817 -7.227 -0.924) 7.332 11.554 ( 0.817 7.227 -0.924) 7.332 11.600 ( -3.407 -11.191 1.060) 11.746 11.600 ( -3.407 11.191 1.060) 11.746 12.085 ( 6.704 -3.467 -2.695) 8.014 12.085 ( 6.704 3.467 -2.695) 8.014 12.197 ( -4.796 -2.275 -4.420) 6.908 12.197 ( -4.796 2.275 -4.420) 6.908 12.625 ( 5.041 -3.796 2.449) 6.769 12.625 ( 5.041 3.796 2.449) 6.769 12.724 ( -4.696 -3.628 3.478) 6.879 12.724 ( -4.696 3.628 3.478) 6.879 13.433 ( 5.273 -5.621 1.573) 7.866 13.433 ( 5.273 5.621 1.573) 7.866 13.527 ( -4.233 -1.311 0.197) 4.436 13.527 ( -4.233 1.311 0.197) 4.436 14.295 ( 3.962 -6.080 -8.097) 10.873 14.295 ( 3.962 6.080 -8.097) 10.873 14.377 ( -3.998 -7.771 -4.233) 9.711 14.377 ( -3.998 7.771 -4.233) 9.711 15.593 ( 1.306 -2.480 4.755) 5.520 15.593 ( 1.306 2.480 4.755) 5.520 15.631 ( -2.518 -3.200 4.882) 6.357 15.631 ( -2.518 3.200 4.882) 6.357 19.659 ( 3.799 -4.948 1.364) 6.386 19.659 ( 3.799 4.948 1.364) 6.386 19.728 ( -3.141 -4.386 2.211) 5.830 19.728 ( -3.141 4.386 2.211) 5.830 21.640 ( 2.493 -7.044 -0.404) 7.484 21.640 ( 2.493 7.044 -0.404) 7.484 21.693 ( -2.842 -7.444 -1.100) 8.043 21.693 ( -2.842 7.444 -1.100) 8.043 22.186 ( 3.389 -4.460 -9.380) 10.925 22.186 ( 3.389 4.460 -9.380) 10.925 22.247 ( -2.791 -3.588 -11.115) 12.009 22.247 ( -2.791 3.588 -11.115) 12.009 23.020 ( 2.296 -4.336 9.604) 10.785 23.020 ( 2.296 4.336 9.604) 10.785 23.071 ( -2.867 -5.943 11.265) 13.055 23.071 ( -2.867 5.943 11.265) 13.055 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 0.000 36.583) 36.583 1.676 ( 0.000 0.000 39.744) 39.744 2.696 ( 0.000 0.000 16.652) 16.652 3.457 ( 0.000 0.000 78.578) 78.578 3.756 ( 0.000 0.000 -7.765) 7.765 3.974 ( 0.000 0.000 -5.316) 5.316 3.988 ( 0.000 0.000 -6.739) 6.739 4.025 ( 0.000 0.000 13.263) 13.263 4.306 ( 0.000 0.000 -6.675) 6.675 4.700 ( 0.000 0.000 -1.796) 1.796 4.795 ( 0.000 0.000 -11.715) 11.715 4.986 ( 0.000 0.000 17.739) 17.739 5.484 ( 0.000 0.000 4.359) 4.359 5.782 ( 0.000 0.000 -4.706) 4.706 6.222 ( 0.000 0.000 4.091) 4.091 6.350 ( 0.000 0.000 -14.384) 14.384 6.497 ( 0.000 0.000 -15.350) 15.350 6.698 ( 0.000 0.000 -0.729) 0.729 6.737 ( 0.000 0.000 -0.276) 0.276 7.694 ( 0.000 0.000 -5.120) 5.120 7.782 ( 0.000 0.000 2.398) 2.398 7.864 ( 0.000 0.000 1.103) 1.103 7.872 ( 0.000 0.000 -8.940) 8.940 7.874 ( 0.000 0.000 -7.892) 7.892 8.123 ( 0.000 0.000 5.894) 5.894 8.198 ( 0.000 0.000 -7.924) 7.924 8.224 ( 0.000 0.000 2.570) 2.570 8.427 ( 0.000 0.000 2.252) 2.252 8.525 ( 0.000 0.000 4.901) 4.901 8.772 ( 0.000 0.000 2.146) 2.146 8.872 ( 0.000 0.000 -3.189) 3.189 9.339 ( 0.000 0.000 -10.911) 10.911 9.518 ( 0.000 0.000 -5.741) 5.741 9.867 ( 0.000 0.000 -4.276) 4.276 10.050 ( 0.000 0.000 -7.497) 7.497 10.270 ( 0.000 0.000 4.468) 4.468 10.276 ( 0.000 0.000 4.855) 4.855 10.351 ( 0.000 0.000 -1.541) 1.541 10.398 ( 0.000 0.000 -2.249) 2.249 10.556 ( 0.000 0.000 6.855) 6.855 10.708 ( 0.000 0.000 -1.403) 1.403 11.162 ( 0.000 0.000 -10.451) 10.451 11.181 ( 0.000 0.000 -5.946) 5.946 11.414 ( 0.000 0.000 -3.760) 3.760 11.448 ( 0.000 0.000 0.325) 0.325 11.593 ( 0.000 0.000 -8.685) 8.685 11.713 ( 0.000 0.000 -5.027) 5.027 11.944 ( 0.000 0.000 -3.417) 3.417 11.945 ( 0.000 0.000 -9.429) 9.429 12.065 ( 0.000 0.000 -16.342) 16.342 12.195 ( 0.000 0.000 -14.861) 14.861 12.484 ( 0.000 0.000 3.786) 3.786 12.631 ( 0.000 0.000 2.940) 2.940 12.807 ( 0.000 0.000 -2.968) 2.968 12.976 ( 0.000 0.000 -1.498) 1.498 13.233 ( 0.000 0.000 8.784) 8.784 13.440 ( 0.000 0.000 -22.266) 22.266 13.573 ( 0.000 0.000 5.551) 5.551 13.651 ( 0.000 0.000 10.500) 10.500 13.705 ( 0.000 0.000 8.022) 8.022 14.031 ( 0.000 0.000 -1.336) 1.336 14.462 ( 0.000 0.000 0.167) 0.167 14.689 ( 0.000 0.000 -9.785) 9.785 14.735 ( 0.000 0.000 -5.419) 5.419 15.177 ( 0.000 0.000 8.475) 8.475 15.191 ( 0.000 0.000 22.540) 22.540 15.774 ( 0.000 0.000 -2.732) 2.732 17.127 ( 0.000 0.000 -4.571) 4.571 19.457 ( 0.000 0.000 3.633) 3.633 19.744 ( 0.000 0.000 5.655) 5.655 20.145 ( 0.000 0.000 -2.928) 2.928 20.158 ( 0.000 0.000 1.764) 1.764 20.205 ( 0.000 0.000 2.989) 2.989 20.640 ( 0.000 0.000 -4.245) 4.245 20.731 ( 0.000 0.000 -2.781) 2.781 21.603 ( 0.000 0.000 -13.803) 13.803 21.925 ( 0.000 0.000 0.734) 0.734 21.981 ( 0.000 0.000 -0.070) 0.070 22.014 ( 0.000 0.000 -2.165) 2.165 22.188 ( 0.000 0.000 0.830) 0.830 23.009 ( 0.000 0.000 7.873) 7.873 23.172 ( 0.000 0.000 9.112) 9.112 23.512 ( 0.000 0.000 13.763) 13.763 24.853 ( 0.000 0.000 -7.177) 7.177 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 14.254 0.000 32.782) 35.747 1.953 ( 25.236 0.000 33.432) 41.887 2.623 ( -7.749 0.000 17.653) 19.279 3.529 ( -9.306 0.000 35.129) 36.341 3.652 ( -0.288 0.000 51.491) 51.492 3.772 ( 1.626 0.000 -7.468) 7.643 3.957 ( -2.945 0.000 -6.488) 7.125 4.281 ( 9.993 0.000 -4.415) 10.925 4.357 ( 4.302 0.000 -5.260) 6.795 4.711 ( 1.113 0.000 -2.930) 3.134 4.794 ( -0.285 0.000 -10.600) 10.604 4.893 ( -9.630 0.000 21.349) 23.420 5.547 ( 6.077 0.000 5.858) 8.441 5.812 ( 2.806 0.000 -4.736) 5.505 6.233 ( 1.548 0.000 -0.100) 1.551 6.374 ( 1.060 0.000 -12.677) 12.721 6.410 ( -8.278 0.000 -12.792) 15.237 6.589 ( -12.938 0.000 -5.158) 13.928 6.749 ( 6.114 0.000 0.317) 6.123 7.563 ( -12.319 0.000 -4.609) 13.153 7.761 ( -1.151 0.000 2.710) 2.945 7.840 ( 0.070 0.000 -4.199) 4.200 7.879 ( 0.413 0.000 -9.246) 9.255 7.929 ( 1.099 0.000 -0.559) 1.233 8.101 ( 0.352 0.000 4.005) 4.020 8.115 ( -4.932 0.000 1.328) 5.108 8.222 ( -2.577 0.000 -8.726) 9.098 8.390 ( -3.656 0.000 2.263) 4.300 8.619 ( 8.036 0.000 4.877) 9.401 8.804 ( 2.710 0.000 2.225) 3.506 8.970 ( 8.562 0.000 -3.790) 9.363 9.463 ( -5.342 0.000 -5.308) 7.531 9.501 ( 13.883 0.000 -11.771) 18.202 9.804 ( -3.713 0.000 -4.867) 6.122 10.067 ( 1.479 0.000 -4.907) 5.125 10.276 ( 0.620 0.000 5.757) 5.790 10.297 ( 1.173 0.000 4.360) 4.515 10.365 ( 2.137 0.000 -1.517) 2.621 10.457 ( 2.246 0.000 -6.936) 7.290 10.565 ( 0.180 0.000 3.999) 4.003 10.814 ( 9.275 0.000 -3.949) 10.081 11.135 ( -6.764 0.000 -4.163) 7.942 11.162 ( 1.279 0.000 -7.527) 7.635 11.349 ( 0.185 0.000 -4.402) 4.406 11.484 ( 1.502 0.000 -4.289) 4.545 11.669 ( -0.182 0.000 -3.815) 3.819 11.680 ( -1.984 0.000 -2.558) 3.237 11.863 ( -1.916 0.000 -7.691) 7.926 11.913 ( -3.205 0.000 -8.263) 8.863 12.065 ( -1.341 0.000 -15.677) 15.734 12.241 ( 5.803 0.000 -14.348) 15.477 12.555 ( 4.497 0.000 -0.269) 4.505 12.648 ( 1.757 0.000 2.153) 2.779 12.790 ( -1.640 0.000 -2.489) 2.981 12.934 ( -2.597 0.000 3.562) 4.408 13.288 ( -4.342 0.000 -10.530) 11.390 13.391 ( 5.853 0.000 -4.282) 7.252 13.583 ( 0.979 0.000 6.040) 6.118 13.646 ( -0.530 0.000 10.036) 10.050 13.802 ( 6.985 0.000 1.712) 7.192 13.995 ( -2.591 0.000 0.166) 2.596 14.490 ( 2.787 0.000 -0.528) 2.836 14.588 ( -9.906 0.000 -5.838) 11.498 14.711 ( -2.433 0.000 -5.008) 5.567 15.151 ( 2.890 0.000 10.753) 11.135 15.335 ( 7.448 0.000 16.652) 18.242 15.770 ( 0.873 0.000 -1.128) 1.426 16.801 ( -27.200 0.000 6.774) 28.030 19.484 ( 2.784 0.000 3.848) 4.749 19.723 ( -2.560 0.000 5.794) 6.334 20.162 ( 0.385 0.000 1.846) 1.886 20.199 ( -0.519 0.000 2.822) 2.870 20.466 ( 27.158 0.000 -15.087) 31.067 20.650 ( 0.955 0.000 -4.057) 4.168 20.723 ( -0.789 0.000 -2.888) 2.994 21.555 ( -5.394 0.000 -16.659) 17.511 21.911 ( -0.955 0.000 1.283) 1.600 21.962 ( -2.462 0.000 -2.910) 3.812 22.029 ( 2.044 0.000 1.966) 2.836 22.173 ( -1.528 0.000 0.941) 1.794 23.028 ( 1.816 0.000 7.912) 8.117 23.155 ( -1.551 0.000 8.991) 9.124 23.591 ( 7.967 0.000 14.024) 16.129 24.620 ( -20.818 0.000 1.794) 20.896 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 19.186 0.000 25.977) 32.294 2.394 ( -15.605 0.000 20.692) 25.917 2.515 ( 30.233 0.000 25.826) 39.762 3.076 ( -27.153 0.000 20.299) 33.902 3.819 ( 3.155 0.000 -6.772) 7.471 3.888 ( -3.805 0.000 -6.324) 7.380 3.983 ( 22.301 0.000 55.897) 60.182 4.332 ( -8.496 0.000 11.103) 13.980 4.457 ( 7.138 0.000 -2.382) 7.526 4.640 ( -13.501 0.000 18.586) 22.972 4.742 ( 1.945 0.000 -5.346) 5.689 4.777 ( -1.459 0.000 -8.120) 8.250 5.706 ( 9.614 0.000 3.966) 10.400 5.845 ( -2.056 0.000 -1.081) 2.323 6.257 ( -3.508 0.000 -12.279) 12.770 6.286 ( 3.616 0.000 -5.669) 6.724 6.344 ( -10.409 0.000 -12.429) 16.212 6.354 ( -2.873 0.000 -9.945) 10.351 6.952 ( 14.309 0.000 0.142) 14.309 7.266 ( -16.982 0.000 -2.067) 17.108 7.773 ( 2.834 0.000 2.664) 3.890 7.854 ( -3.975 0.000 -1.356) 4.200 7.858 ( 1.677 0.000 -2.080) 2.672 7.901 ( -2.543 0.000 0.165) 2.548 8.071 ( 1.673 0.000 -6.572) 6.782 8.145 ( -4.658 0.000 -11.285) 12.208 8.175 ( 5.931 0.000 1.902) 6.229 8.294 ( -5.901 0.000 2.070) 6.253 8.767 ( 6.046 0.000 3.376) 6.925 8.833 ( -0.637 0.000 2.406) 2.489 9.153 ( 9.598 0.000 -4.449) 10.579 9.328 ( -8.227 0.000 -4.786) 9.518 9.729 ( 6.362 0.000 -10.066) 11.908 9.769 ( -0.302 0.000 -5.766) 5.774 10.162 ( 10.169 0.000 -6.202) 11.911 10.290 ( 0.707 0.000 5.946) 5.987 10.301 ( -0.404 0.000 5.174) 5.190 10.392 ( -9.634 0.000 -10.839) 14.502 10.442 ( 5.042 0.000 -1.362) 5.223 10.533 ( -3.660 0.000 -0.022) 3.660 10.958 ( 4.240 0.000 -4.600) 6.256 11.013 ( -3.329 0.000 -0.528) 3.371 11.248 ( 7.477 0.000 -5.435) 9.244 11.413 ( -8.033 0.000 -6.822) 10.539 11.414 ( 4.888 0.000 -3.702) 6.132 11.538 ( -8.211 0.000 -0.654) 8.237 11.717 ( 5.214 0.000 -2.040) 5.598 11.827 ( -5.418 0.000 -5.489) 7.713 11.935 ( 5.102 0.000 -11.860) 12.911 12.016 ( -3.364 0.000 -14.682) 15.063 12.403 ( 9.724 0.000 -11.573) 15.116 12.561 ( -4.940 0.000 -4.535) 6.705 12.694 ( 2.726 0.000 0.449) 2.763 12.747 ( -2.660 0.000 -1.246) 2.938 12.950 ( 5.404 0.000 -0.228) 5.409 13.112 ( -10.012 0.000 -10.813) 14.736 13.606 ( 1.329 0.000 7.300) 7.420 13.609 ( 12.123 0.000 -4.020) 12.772 13.630 ( -1.063 0.000 8.821) 8.885 13.805 ( -7.226 0.000 -5.745) 9.231 14.079 ( 11.636 0.000 4.296) 12.404 14.343 ( -14.281 0.000 -0.216) 14.282 14.562 ( 4.301 0.000 -2.147) 4.808 14.646 ( -4.084 0.000 -3.835) 5.603 15.261 ( 7.214 0.000 8.174) 10.902 15.381 ( -3.458 0.000 10.539) 11.092 15.900 ( 13.804 0.000 8.263) 16.089 16.278 ( -24.300 0.000 13.488) 27.792 19.558 ( 4.625 0.000 4.480) 6.439 19.651 ( -4.584 0.000 5.302) 7.009 20.172 ( 0.674 0.000 2.087) 2.193 20.186 ( -0.754 0.000 2.451) 2.564 20.674 ( 1.444 0.000 -3.629) 3.906 20.702 ( -1.343 0.000 -3.192) 3.463 20.991 ( 24.296 0.000 -23.793) 34.006 21.368 ( -14.375 0.000 -22.282) 26.517 21.899 ( -0.037 0.000 1.329) 1.330 21.915 ( -1.749 0.000 -0.066) 1.751 22.078 ( 2.823 0.000 1.974) 3.445 22.132 ( -2.559 0.000 1.411) 2.922 23.071 ( 2.430 0.000 8.147) 8.502 23.117 ( -2.239 0.000 8.597) 8.884 23.818 ( 15.395 0.000 14.200) 20.944 24.183 ( -21.868 0.000 11.586) 24.748 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.000 14.693 35.216) 38.158 2.022 ( 0.000 36.697 29.379) 47.008 2.933 ( 0.000 20.915 15.120) 25.808 3.516 ( 0.000 5.892 58.549) 58.845 3.843 ( 0.000 5.929 -0.720) 5.972 3.875 ( 0.000 1.654 9.930) 10.067 4.135 ( 0.000 0.016 -4.955) 4.955 4.140 ( 0.000 11.717 4.325) 12.490 4.443 ( 0.000 16.033 -9.069) 18.420 4.763 ( 0.000 2.206 4.488) 5.001 4.956 ( 0.000 13.383 -9.511) 16.419 4.998 ( 0.000 5.199 13.471) 14.439 5.462 ( 0.000 -1.664 5.626) 5.867 5.602 ( 0.000 -13.442 -1.317) 13.507 6.232 ( 0.000 0.065 4.002) 4.003 6.362 ( 0.000 -5.787 -10.062) 11.607 6.562 ( 0.000 11.051 -16.977) 20.257 6.715 ( 0.000 -1.120 -3.318) 3.501 6.854 ( 0.000 13.020 -3.624) 13.515 7.469 ( 0.000 -15.019 -0.890) 15.045 7.674 ( 0.000 -6.423 -3.544) 7.336 7.845 ( 0.000 -3.898 4.945) 6.296 7.852 ( 0.000 -2.682 -7.438) 7.906 7.942 ( 0.000 -0.396 -8.119) 8.128 8.050 ( 0.000 -3.312 -5.712) 6.603 8.131 ( 0.000 -1.277 2.355) 2.679 8.310 ( 0.000 5.286 2.036) 5.664 8.478 ( 0.000 1.506 3.022) 3.376 8.587 ( 0.000 4.762 3.773) 6.076 8.858 ( 0.000 -1.427 -1.343) 1.959 8.985 ( 0.000 17.176 -5.519) 18.041 9.082 ( 0.000 -14.989 -9.490) 17.740 9.685 ( 0.000 5.392 -8.060) 9.698 9.871 ( 0.000 0.634 -5.127) 5.166 10.082 ( 0.000 3.768 -8.016) 8.857 10.195 ( 0.000 -3.766 -1.835) 4.189 10.304 ( 0.000 -3.570 -4.550) 5.783 10.337 ( 0.000 4.035 4.749) 6.232 10.513 ( 0.000 7.129 3.848) 8.101 10.607 ( 0.000 6.264 5.394) 8.266 10.715 ( 0.000 0.326 -0.024) 0.327 11.143 ( 0.000 -2.451 -8.450) 8.798 11.252 ( 0.000 5.327 -7.462) 9.168 11.363 ( 0.000 -3.264 -3.200) 4.571 11.464 ( 0.000 -0.143 -0.981) 0.992 11.621 ( 0.000 1.243 -7.273) 7.379 11.760 ( 0.000 4.811 -2.946) 5.642 11.773 ( 0.000 -4.959 -8.501) 9.841 12.061 ( 0.000 -0.078 -7.264) 7.264 12.102 ( 0.000 3.053 -11.552) 11.949 12.232 ( 0.000 6.562 -8.784) 10.964 12.337 ( 0.000 -11.470 0.739) 11.494 12.614 ( 0.000 -3.082 1.504) 3.429 12.768 ( 0.000 -9.346 0.070) 9.347 12.963 ( 0.000 2.897 -4.070) 4.995 13.189 ( 0.000 -3.146 9.140) 9.666 13.422 ( 0.000 -2.326 -14.311) 14.499 13.565 ( 0.000 -5.895 5.949) 8.375 13.607 ( 0.000 3.162 1.927) 3.703 13.758 ( 0.000 1.672 6.743) 6.947 13.989 ( 0.000 -2.170 1.159) 2.460 14.400 ( 0.000 -4.996 1.119) 5.120 14.428 ( 0.000 -14.471 -9.948) 17.560 14.903 ( 0.000 3.676 -0.565) 3.719 15.225 ( 0.000 4.891 14.800) 15.587 15.279 ( 0.000 8.166 6.617) 10.510 15.770 ( 0.000 -0.339 -2.047) 2.075 16.740 ( 0.000 -27.773 7.565) 28.785 19.453 ( 0.000 0.212 3.168) 3.175 19.749 ( 0.000 0.420 5.376) 5.392 20.036 ( 0.000 -8.247 -1.692) 8.418 20.133 ( 0.000 -3.749 2.848) 4.708 20.663 ( 0.000 35.159 -13.291) 37.588 20.760 ( 0.000 10.613 -4.632) 11.579 20.866 ( 0.000 11.170 -3.558) 11.723 21.635 ( 0.000 2.748 -12.222) 12.528 21.920 ( 0.000 -0.499 1.645) 1.719 21.989 ( 0.000 0.580 -0.757) 0.954 22.012 ( 0.000 -0.171 -4.314) 4.318 22.184 ( 0.000 -0.275 0.976) 1.014 23.021 ( 0.000 1.242 7.914) 8.011 23.161 ( 0.000 -0.970 9.189) 9.240 23.479 ( 0.000 -3.155 13.415) 13.781 24.601 ( 0.000 -21.032 1.492) 21.085 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 13.651 16.818 31.080) 37.884 2.204 ( 17.237 27.216 27.557) 42.393 2.862 ( -7.466 20.810 16.437) 27.549 3.477 ( -12.909 -1.144 18.667) 22.725 3.751 ( 5.504 10.192 53.556) 54.794 3.919 ( 1.768 8.903 -5.149) 10.436 4.128 ( 0.716 12.901 2.475) 13.156 4.255 ( 7.005 -1.341 -4.153) 8.253 4.457 ( 0.820 10.349 -9.980) 14.400 4.749 ( -2.307 0.208 8.668) 8.973 4.915 ( -3.024 10.131 0.770) 10.601 4.992 ( -1.216 13.363 1.676) 13.523 5.490 ( 3.102 -5.556 6.147) 8.847 5.645 ( 3.526 -11.635 -0.242) 12.160 6.167 ( -4.763 -4.991 -2.139) 7.223 6.366 ( -1.160 -3.694 -6.998) 7.998 6.550 ( -2.376 10.088 -13.083) 16.691 6.641 ( -6.559 7.226 -7.099) 12.068 6.865 ( 3.091 9.649 -1.455) 10.236 7.436 ( -3.521 -9.490 -3.729) 10.787 7.682 ( 1.170 -7.247 -3.625) 8.187 7.748 ( -5.666 -3.829 1.124) 6.930 7.877 ( 0.063 -2.678 -5.288) 5.927 7.943 ( 0.131 -3.305 -6.549) 7.337 7.996 ( -5.323 -0.746 -0.211) 5.379 8.081 ( -2.169 -4.455 -1.967) 5.331 8.306 ( -1.033 7.799 4.146) 8.893 8.510 ( 0.073 3.226 1.653) 3.625 8.615 ( 4.647 0.018 1.292) 4.824 8.916 ( -0.920 7.201 -4.515) 8.549 9.010 ( 7.711 5.981 -2.949) 10.195 9.194 ( 8.922 -13.362 -8.403) 18.131 9.702 ( 1.607 6.270 -8.808) 10.931 9.811 ( -3.301 0.865 -5.031) 6.079 10.105 ( 0.463 4.655 -5.029) 6.869 10.212 ( 1.108 -4.396 -1.140) 4.674 10.300 ( 0.172 -2.830 -3.330) 4.374 10.352 ( 1.545 1.764 2.482) 3.415 10.515 ( 0.560 3.638 3.335) 4.966 10.627 ( -0.477 6.902 0.291) 6.925 10.806 ( 8.406 -0.927 -2.037) 8.699 11.140 ( -2.583 -0.369 -6.055) 6.593 11.220 ( -0.031 3.353 -6.556) 7.363 11.344 ( -2.099 -0.299 -0.660) 2.220 11.467 ( -2.653 -2.100 -3.782) 5.075 11.573 ( 2.143 -2.129 -5.117) 5.943 11.701 ( -6.066 -3.800 -4.524) 8.468 11.871 ( 5.531 7.672 -3.411) 10.054 12.032 ( -1.958 3.602 -13.472) 14.082 12.146 ( 2.747 4.237 -8.219) 9.646 12.205 ( -0.303 2.087 -10.694) 10.900 12.372 ( 2.201 -13.298 -0.653) 13.495 12.633 ( 1.565 -3.798 1.170) 4.271 12.739 ( -2.704 -8.542 2.962) 9.437 12.968 ( 0.987 4.413 -3.738) 5.867 13.243 ( 1.111 -4.632 0.668) 4.810 13.362 ( -0.279 -1.690 -7.587) 7.778 13.591 ( -0.532 -1.618 4.907) 5.195 13.622 ( 2.788 -0.797 0.268) 2.912 13.813 ( 5.324 0.453 5.883) 7.948 13.959 ( -2.911 -1.491 0.358) 3.291 14.304 ( -6.327 -13.441 -4.147) 15.423 14.509 ( 4.675 -4.451 -2.478) 6.915 14.845 ( -5.281 4.352 0.133) 6.844 15.226 ( 2.085 6.593 9.014) 11.360 15.366 ( 5.483 3.586 11.512) 13.246 15.764 ( 0.388 -0.503 -0.816) 1.034 16.534 ( -18.325 -20.367 11.161) 29.583 19.483 ( 2.979 0.241 3.462) 4.574 19.726 ( -2.517 0.430 5.562) 6.120 20.079 ( 3.001 -8.629 -0.543) 9.152 20.134 ( 0.002 -3.945 2.751) 4.809 20.744 ( 3.564 17.281 -8.943) 19.781 20.780 ( 2.563 14.118 -7.087) 16.003 20.918 ( 8.437 18.341 -10.844) 22.917 21.600 ( -3.930 3.867 -14.895) 15.883 21.908 ( -0.855 -0.345 1.664) 1.903 21.969 ( -2.652 0.540 -4.225) 5.018 22.026 ( 2.067 -0.268 1.041) 2.330 22.169 ( -1.494 -0.241 0.909) 1.765 23.038 ( 1.547 0.967 7.978) 8.184 23.147 ( -1.333 -0.730 9.082) 9.208 23.550 ( 7.237 -3.810 13.666) 15.926 24.425 ( -16.176 -16.749 6.426) 24.155 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 18.397 19.731 24.236) 36.265 2.588 ( 8.129 14.671 20.016) 26.114 2.672 ( 0.710 18.127 23.226) 29.471 3.090 ( -23.258 2.943 18.287) 29.732 3.929 ( 5.266 8.402 20.029) 22.349 3.964 ( 1.728 7.014 1.744) 7.431 4.213 ( 11.771 19.428 22.638) 32.070 4.377 ( 3.773 -1.228 -4.565) 6.048 4.445 ( -1.323 2.980 -3.969) 5.137 4.600 ( -12.927 0.319 24.576) 27.771 4.898 ( 1.609 13.069 -2.641) 13.430 4.948 ( -2.925 14.695 -4.275) 15.581 5.585 ( 6.125 -10.236 3.676) 12.483 5.678 ( -1.798 -12.206 1.860) 12.477 6.127 ( 2.649 -4.454 -6.713) 8.480 6.266 ( -9.285 -4.173 -7.406) 12.588 6.487 ( 0.008 10.387 -8.207) 13.238 6.540 ( -4.166 10.923 -11.032) 16.074 7.021 ( 11.909 6.237 -1.895) 13.576 7.274 ( -12.626 1.487 -4.084) 13.353 7.708 ( 1.650 -5.683 1.738) 6.168 7.726 ( 1.867 -7.065 -0.591) 7.332 7.858 ( -1.125 -0.906 -4.582) 4.805 7.889 ( -3.909 -1.597 -1.737) 4.566 7.979 ( 2.098 -5.736 -5.063) 7.933 8.030 ( -2.969 -4.573 -5.155) 7.504 8.320 ( 3.565 7.127 2.525) 8.359 8.432 ( -6.645 5.099 -0.004) 8.376 8.746 ( 7.066 -0.901 -0.709) 7.158 8.857 ( -4.237 3.120 -2.844) 5.981 9.190 ( 8.569 1.866 -4.113) 9.687 9.294 ( -0.697 -4.282 -5.590) 7.076 9.751 ( 3.099 1.938 -8.996) 9.711 9.784 ( -0.367 1.825 -5.191) 5.515 10.122 ( 2.598 0.055 -4.315) 5.037 10.195 ( -3.244 -5.572 -4.959) 8.134 10.333 ( 2.864 -1.014 0.617) 3.100 10.372 ( -0.339 -0.995 1.464) 1.803 10.533 ( 1.283 4.174 -0.195) 4.371 10.577 ( -3.421 7.370 -1.835) 8.330 10.954 ( 5.829 -1.261 -2.952) 6.654 11.052 ( -5.103 2.559 -2.037) 6.061 11.246 ( 3.303 0.078 -4.160) 5.312 11.337 ( -4.339 -4.520 -4.135) 7.508 11.411 ( 4.144 -0.187 -1.840) 4.538 11.549 ( -8.264 -0.343 -2.731) 8.711 11.705 ( 8.244 -0.693 -3.833) 9.117 11.855 ( -6.256 2.631 -4.017) 7.886 12.060 ( 3.861 8.824 -12.189) 15.535 12.125 ( -2.771 9.953 -9.644) 14.133 12.294 ( 6.261 -7.582 -9.758) 13.853 12.381 ( -2.008 -12.519 -4.498) 13.453 12.659 ( 1.078 -5.391 2.146) 5.902 12.686 ( -2.080 -6.774 4.134) 8.204 13.020 ( 4.672 4.288 -5.622) 8.475 13.142 ( -7.298 0.837 -8.649) 11.348 13.476 ( 6.580 -5.879 0.579) 8.843 13.560 ( -2.562 -3.918 3.727) 5.983 13.704 ( 6.163 1.423 -1.497) 6.500 13.837 ( -5.906 2.058 -2.471) 6.725 13.983 ( 7.999 -6.497 4.407) 11.208 14.156 ( -8.862 -12.109 -0.421) 15.012 14.607 ( 5.595 0.648 -0.251) 5.638 14.726 ( -6.463 3.645 0.199) 7.422 15.307 ( 5.589 4.462 7.325) 10.237 15.401 ( -2.646 2.418 9.015) 9.701 15.859 ( 10.645 -3.328 6.462) 12.890 16.154 ( -18.689 -9.996 12.309) 24.510 19.561 ( 4.753 0.359 4.207) 6.357 19.655 ( -4.599 0.459 5.091) 6.876 20.120 ( 1.166 -6.168 1.452) 6.443 20.132 ( -0.244 -4.584 2.385) 5.174 20.777 ( 1.196 10.354 -4.657) 11.416 20.796 ( -0.583 10.455 -4.721) 11.486 21.195 ( 16.132 15.652 -22.223) 31.609 21.462 ( -10.636 7.915 -20.606) 24.502 21.899 ( 0.084 -0.158 1.303) 1.315 21.918 ( -1.990 0.160 -0.656) 2.101 22.075 ( 2.816 -0.249 1.300) 3.112 22.129 ( -2.549 -0.226 1.055) 2.768 23.074 ( 2.091 0.376 8.252) 8.521 23.114 ( -1.938 -0.226 8.709) 8.925 23.754 ( 13.679 -5.868 13.941) 20.393 24.070 ( -18.427 -10.063 12.322) 24.344 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 0.000 24.844 26.108) 36.040 2.756 ( 0.000 29.971 29.898) 42.333 3.447 ( 0.000 25.762 12.312) 28.553 3.669 ( 0.000 6.834 9.964) 12.083 3.950 ( 0.000 4.209 3.345) 5.377 4.003 ( 0.000 -3.316 -1.352) 3.582 4.167 ( 0.000 19.668 37.027) 41.926 4.363 ( 0.000 3.204 -2.618) 4.138 4.823 ( 0.000 16.224 -10.394) 19.268 4.823 ( 0.000 8.718 13.212) 15.829 5.202 ( 0.000 8.377 9.625) 12.760 5.202 ( 0.000 6.496 4.500) 7.903 5.399 ( 0.000 0.054 4.755) 4.756 5.471 ( 0.000 4.746 1.133) 4.880 6.173 ( 0.000 -10.777 -7.088) 12.899 6.201 ( 0.000 -2.501 2.663) 3.654 6.694 ( 0.000 -2.491 -6.003) 6.499 6.821 ( 0.000 10.851 -16.966) 20.139 7.169 ( 0.000 16.060 -6.214) 17.220 7.235 ( 0.000 -4.279 0.699) 4.336 7.585 ( 0.000 -1.422 -9.056) 9.167 7.704 ( 0.000 -8.622 4.947) 9.940 7.753 ( 0.000 -6.553 -4.512) 7.956 7.895 ( 0.000 -2.616 -5.750) 6.317 8.008 ( 0.000 -1.022 -1.906) 2.163 8.160 ( 0.000 4.633 -6.909) 8.318 8.324 ( 0.000 -5.157 -0.407) 5.174 8.487 ( 0.000 -0.242 -3.220) 3.229 8.710 ( 0.000 6.874 5.468) 8.784 8.753 ( 0.000 -9.899 -3.711) 10.571 8.874 ( 0.000 -3.606 -1.343) 3.848 9.335 ( 0.000 14.250 -14.548) 20.365 9.657 ( 0.000 -6.808 -11.690) 13.528 9.905 ( 0.000 3.075 -6.591) 7.273 10.122 ( 0.000 -4.508 -10.281) 11.226 10.164 ( 0.000 0.356 -5.916) 5.927 10.293 ( 0.000 4.508 -7.771) 8.984 10.360 ( 0.000 -1.363 4.612) 4.809 10.637 ( 0.000 4.081 6.644) 7.797 10.726 ( 0.000 1.981 2.215) 2.972 10.841 ( 0.000 14.681 4.779) 15.440 11.077 ( 0.000 -4.597 -9.936) 10.948 11.267 ( 0.000 -4.207 -2.657) 4.975 11.327 ( 0.000 3.024 1.038) 3.198 11.514 ( 0.000 5.004 -1.479) 5.218 11.546 ( 0.000 -4.964 -7.043) 8.617 11.799 ( 0.000 1.843 -3.384) 3.854 11.833 ( 0.000 -1.662 1.621) 2.321 12.082 ( 0.000 4.542 -12.661) 13.451 12.105 ( 0.000 -3.188 4.788) 5.753 12.180 ( 0.000 -0.490 -9.608) 9.621 12.347 ( 0.000 -4.196 -3.331) 5.358 12.487 ( 0.000 -8.305 3.617) 9.059 12.522 ( 0.000 -3.887 -2.414) 4.575 13.010 ( 0.000 -1.125 0.151) 1.135 13.124 ( 0.000 -3.969 6.979) 8.029 13.343 ( 0.000 -3.986 0.437) 4.010 13.455 ( 0.000 -3.409 -0.697) 3.480 13.697 ( 0.000 5.217 -3.071) 6.054 13.707 ( 0.000 -5.772 1.920) 6.083 14.035 ( 0.000 6.488 4.179) 7.718 14.117 ( 0.000 -15.247 -11.685) 19.210 14.278 ( 0.000 -6.645 0.811) 6.694 14.855 ( 0.000 -6.659 6.188) 9.090 15.393 ( 0.000 9.538 3.115) 10.034 15.452 ( 0.000 7.638 4.295) 8.763 15.763 ( 0.000 -0.274 -0.336) 0.434 16.242 ( 0.000 -18.598 10.835) 21.525 19.470 ( 0.000 1.383 2.486) 2.845 19.754 ( 0.000 -0.760 3.022) 3.116 19.874 ( 0.000 -5.993 2.028) 6.327 20.041 ( 0.000 -4.705 4.025) 6.192 21.043 ( 0.000 15.794 -5.582) 16.752 21.126 ( 0.000 12.975 -4.349) 13.685 21.331 ( 0.000 26.122 -22.447) 34.441 21.698 ( 0.000 3.050 -7.310) 7.921 21.904 ( 0.000 -0.931 2.443) 2.614 21.994 ( 0.000 -0.321 -2.726) 2.745 22.002 ( 0.000 -0.903 -8.294) 8.343 22.183 ( 0.000 0.313 1.044) 1.090 23.065 ( 0.000 3.196 8.128) 8.734 23.137 ( 0.000 -1.136 9.488) 9.556 23.390 ( 0.000 -5.063 12.549) 13.532 24.124 ( 0.000 -22.825 10.126) 24.970 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 11.876 22.493 24.135) 35.064 2.830 ( 7.188 27.588 28.180) 40.086 3.361 ( -8.686 24.281 14.131) 29.406 3.540 ( -12.619 7.362 8.957) 17.137 3.955 ( 3.957 0.425 2.946) 4.951 4.092 ( 3.556 3.314 4.372) 6.537 4.203 ( 4.842 12.587 26.049) 29.333 4.394 ( 2.379 2.350 0.938) 3.473 4.715 ( -6.199 15.250 5.582) 17.383 4.864 ( 0.465 11.191 1.957) 11.370 5.160 ( -0.770 9.104 5.091) 10.459 5.252 ( 2.319 3.563 5.523) 6.970 5.407 ( -1.013 6.758 -0.105) 6.835 5.486 ( 1.756 -0.937 8.331) 8.566 6.070 ( -3.873 -4.099 -2.785) 6.289 6.249 ( -0.556 -5.939 -2.102) 6.325 6.672 ( -0.630 1.399 -9.244) 9.371 6.878 ( -1.083 12.406 -9.817) 15.857 7.045 ( -2.499 5.047 -5.538) 7.898 7.365 ( 8.697 6.308 -3.169) 11.201 7.561 ( -3.466 -3.844 -8.472) 9.928 7.663 ( -2.588 -3.182 1.631) 4.414 7.774 ( 2.276 -6.144 -3.568) 7.461 7.863 ( -2.995 -3.851 -4.821) 6.859 7.966 ( -3.438 -1.990 -3.517) 5.306 8.083 ( -4.770 4.057 -2.304) 6.673 8.370 ( 1.764 -2.105 -0.984) 2.918 8.511 ( -0.510 -1.567 -0.158) 1.655 8.640 ( -0.031 1.468 -0.801) 1.672 8.889 ( 8.979 -8.296 -4.542) 13.041 8.979 ( 6.970 -5.578 -3.950) 9.762 9.241 ( -6.211 9.689 -12.823) 17.231 9.723 ( 4.532 -2.886 -9.430) 10.853 9.858 ( -2.423 4.109 -5.954) 7.629 10.135 ( -0.854 -3.564 -7.425) 8.281 10.178 ( 1.026 -0.194 -7.931) 7.999 10.323 ( 2.080 6.496 -6.611) 9.499 10.359 ( -0.028 -1.200 3.356) 3.564 10.625 ( 0.382 5.386 6.281) 8.283 10.738 ( 1.214 1.019 0.889) 1.817 10.850 ( 0.330 8.822 1.428) 8.943 11.092 ( 0.401 -5.014 -8.963) 10.278 11.245 ( -0.599 0.529 -2.425) 2.553 11.329 ( -0.830 0.552 3.838) 3.965 11.455 ( -4.106 1.548 0.611) 4.431 11.577 ( 3.172 0.641 -6.893) 7.615 11.669 ( -6.616 0.925 -4.348) 7.971 11.941 ( 1.697 -5.974 1.632) 6.421 12.064 ( 0.133 -2.587 -5.278) 5.879 12.156 ( 1.749 0.561 -4.251) 4.631 12.166 ( 1.885 -0.808 -9.409) 9.630 12.367 ( 1.462 5.723 -4.223) 7.261 12.476 ( -0.584 -10.577 1.502) 10.699 12.541 ( 1.529 -4.002 0.851) 4.368 13.005 ( -0.288 -2.700 0.727) 2.811 13.133 ( -0.936 -6.202 2.682) 6.822 13.317 ( 1.002 -1.700 2.693) 3.338 13.502 ( 2.579 -4.334 -3.884) 6.365 13.636 ( -2.013 -0.283 -2.735) 3.407 13.804 ( 5.921 0.355 3.636) 6.957 13.973 ( -7.349 -4.674 -7.500) 11.494 14.059 ( -2.160 -2.622 1.475) 3.703 14.384 ( 7.908 -7.476 0.144) 10.883 14.818 ( -3.866 -6.020 5.392) 8.959 15.397 ( 0.791 8.975 3.583) 9.696 15.479 ( 1.997 6.310 5.413) 8.551 15.753 ( -0.436 -0.481 0.184) 0.675 16.147 ( -8.804 -15.083 10.530) 20.393 19.500 ( 2.996 1.403 2.831) 4.354 19.741 ( -1.975 0.754 4.536) 5.005 19.899 ( 2.706 -7.803 0.748) 8.293 20.035 ( -0.613 -5.082 3.757) 6.350 21.047 ( 0.433 15.785 -5.589) 16.751 21.109 ( -1.346 14.359 -5.029) 15.274 21.394 ( 5.799 21.771 -22.006) 31.494 21.687 ( -1.242 4.057 -9.367) 10.283 21.895 ( -0.612 -0.777 1.784) 2.040 21.973 ( -2.712 -0.378 -7.104) 7.613 22.018 ( 2.179 -0.487 -1.598) 2.746 22.168 ( -1.526 0.233 0.583) 1.650 23.073 ( 0.759 2.613 8.251) 8.688 23.131 ( -0.584 -0.476 9.453) 9.483 23.443 ( 5.394 -6.154 12.753) 15.153 24.028 ( -9.163 -19.736 11.305) 24.521 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 19.490 18.124 19.462) 32.971 2.990 ( 3.463 20.591 19.871) 28.824 3.120 ( -10.854 20.650 19.964) 30.705 3.271 ( -13.086 16.280 17.293) 27.117 4.060 ( 5.391 -0.522 -0.892) 5.490 4.122 ( -0.468 4.225 5.524) 6.970 4.306 ( 4.507 0.431 9.084) 10.150 4.390 ( -3.811 -2.492 2.488) 5.189 4.691 ( 5.247 20.089 15.611) 25.977 4.820 ( -5.435 13.980 10.627) 18.382 5.184 ( 3.156 10.120 1.681) 10.733 5.255 ( -2.890 8.236 0.793) 8.764 5.412 ( 3.033 0.872 4.083) 5.160 5.483 ( -2.703 -1.092 7.862) 8.385 6.071 ( 3.813 -1.455 -2.095) 4.587 6.179 ( -5.865 -3.489 -1.672) 7.026 6.675 ( 1.141 7.211 -9.148) 11.705 6.743 ( -6.551 10.130 -7.556) 14.235 7.161 ( 9.327 5.014 -7.125) 12.764 7.355 ( -9.876 4.133 -7.405) 13.017 7.595 ( 7.394 -1.447 -0.223) 7.538 7.664 ( 0.887 1.178 -2.677) 3.056 7.811 ( -0.532 -2.953 -4.641) 5.527 7.855 ( 4.959 -3.397 -4.945) 7.784 7.885 ( -4.067 -1.153 -5.045) 6.582 7.988 ( -5.833 1.432 -1.899) 6.299 8.377 ( 0.521 -1.450 2.709) 3.117 8.432 ( -4.993 -2.868 2.953) 6.472 8.754 ( 9.122 0.235 -8.908) 12.752 8.927 ( -7.023 0.146 -11.229) 13.245 9.105 ( 7.541 -9.934 -5.814) 13.761 9.193 ( -1.058 -4.680 -6.095) 7.757 9.793 ( 3.171 1.719 -7.336) 8.175 9.840 ( -0.877 3.268 -5.312) 6.298 10.122 ( 0.807 -1.315 -6.565) 6.744 10.167 ( -2.392 0.942 -7.088) 7.540 10.334 ( 0.563 3.534 -0.648) 3.637 10.356 ( -0.944 0.610 0.139) 1.133 10.667 ( 3.170 8.184 2.553) 9.140 10.732 ( -2.842 6.563 0.676) 7.184 10.902 ( 6.337 -3.057 -3.475) 7.847 11.038 ( -6.030 -4.472 -5.911) 9.555 11.263 ( 1.727 2.324 -0.441) 2.929 11.300 ( -1.863 1.670 2.508) 3.543 11.432 ( 2.916 2.017 1.338) 3.790 11.538 ( -6.648 -0.250 -2.924) 7.267 11.683 ( 7.361 -1.562 -4.582) 8.810 11.846 ( -8.523 -4.838 -2.198) 10.044 12.111 ( 3.179 -8.445 -5.551) 10.594 12.155 ( -1.108 -5.817 -7.923) 9.892 12.260 ( 5.538 3.626 -4.149) 7.812 12.352 ( -3.423 7.793 -5.333) 10.044 12.505 ( 3.263 -5.317 2.153) 6.599 12.553 ( -0.918 -2.097 1.313) 2.639 13.014 ( 1.654 -5.598 0.544) 5.862 13.072 ( -3.954 -7.374 0.392) 8.377 13.405 ( 6.062 -1.478 0.038) 6.239 13.499 ( -3.039 -2.171 -3.587) 5.179 13.660 ( 4.889 -4.280 -5.235) 8.344 13.801 ( -8.663 -7.947 -7.675) 14.039 13.925 ( 5.403 1.595 3.538) 6.652 14.012 ( -3.330 1.461 4.423) 5.726 14.547 ( 8.616 -6.198 2.345) 10.869 14.706 ( -7.385 -5.402 4.010) 9.990 15.434 ( 2.958 7.189 4.649) 9.057 15.488 ( -1.657 5.536 5.643) 8.077 15.791 ( 5.337 -2.866 3.534) 7.014 15.951 ( -10.207 -8.402 8.196) 15.555 19.578 ( 4.839 1.451 3.685) 6.253 19.673 ( -4.582 1.436 4.636) 6.675 19.963 ( 3.262 -7.850 1.333) 8.605 20.013 ( -1.823 -6.292 2.821) 7.132 21.061 ( 0.956 15.616 -5.552) 16.601 21.083 ( -1.294 15.259 -5.424) 16.246 21.525 ( 6.953 14.329 -20.600) 26.039 21.638 ( -4.215 7.768 -15.471) 17.818 21.890 ( 0.378 -0.486 0.654) 0.898 21.917 ( -2.421 -0.113 -2.693) 3.623 22.070 ( 2.958 -0.313 -0.757) 3.069 22.126 ( -2.701 -0.000 -0.123) 2.704 23.092 ( 1.154 1.553 8.645) 8.859 23.115 ( -1.069 0.573 9.152) 9.232 23.594 ( 9.892 -9.063 13.142) 18.780 23.812 ( -12.035 -13.832 12.862) 22.396 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 0.000 26.996 17.128) 31.971 3.261 ( 0.000 20.682 28.904) 35.541 3.686 ( 0.000 -9.796 2.438) 10.094 3.850 ( 0.000 5.993 8.827) 10.669 3.903 ( 0.000 0.966 0.622) 1.149 3.997 ( 0.000 1.930 7.561) 7.804 4.320 ( 0.000 -0.397 -1.056) 1.128 4.660 ( 0.000 11.620 14.395) 18.499 5.018 ( 0.000 8.939 18.005) 20.102 5.021 ( 0.000 10.288 6.746) 12.302 5.280 ( 0.000 3.527 14.250) 14.680 5.391 ( 0.000 11.330 7.387) 13.525 5.575 ( 0.000 9.465 6.992) 11.768 5.607 ( 0.000 5.689 -1.251) 5.825 5.967 ( 0.000 -7.545 -5.199) 9.163 6.130 ( 0.000 -5.993 3.118) 6.755 6.671 ( 0.000 4.630 -6.658) 8.110 6.954 ( 0.000 2.136 -11.411) 11.610 7.264 ( 0.000 3.336 -3.689) 4.974 7.349 ( 0.000 -2.777 0.128) 2.780 7.473 ( 0.000 -6.139 -6.260) 8.768 7.574 ( 0.000 -10.724 -4.431) 11.603 7.786 ( 0.000 14.904 -15.550) 21.539 7.813 ( 0.000 -2.288 -5.519) 5.975 8.132 ( 0.000 11.317 4.235) 12.084 8.138 ( 0.000 -8.771 -2.701) 9.178 8.322 ( 0.000 10.582 -8.917) 13.838 8.464 ( 0.000 -2.754 -12.322) 12.626 8.584 ( 0.000 -6.550 -1.261) 6.671 8.764 ( 0.000 -8.378 2.440) 8.726 8.871 ( 0.000 9.524 -1.332) 9.617 9.460 ( 0.000 -11.757 -15.701) 19.615 9.524 ( 0.000 4.866 -16.424) 17.130 9.914 ( 0.000 -14.434 -12.018) 18.782 10.015 ( 0.000 6.999 -7.682) 10.393 10.173 ( 0.000 -0.143 -4.606) 4.608 10.321 ( 0.000 -1.583 4.085) 4.381 10.351 ( 0.000 -0.446 -8.720) 8.732 10.688 ( 0.000 2.533 3.459) 4.287 10.858 ( 0.000 9.931 3.366) 10.486 10.934 ( 0.000 -8.096 -4.702) 9.363 11.097 ( 0.000 5.886 2.728) 6.487 11.284 ( 0.000 6.659 -1.191) 6.764 11.444 ( 0.000 7.734 0.798) 7.775 11.509 ( 0.000 3.742 -6.460) 7.465 11.596 ( 0.000 -0.205 -1.386) 1.401 11.742 ( 0.000 -0.816 1.721) 1.904 11.793 ( 0.000 -1.457 -0.464) 1.529 11.965 ( 0.000 -19.735 4.773) 20.304 12.065 ( 0.000 -9.788 -4.846) 10.922 12.165 ( 0.000 4.368 10.468) 11.342 12.212 ( 0.000 3.922 -9.548) 10.323 12.517 ( 0.000 2.461 -4.967) 5.543 12.540 ( 0.000 3.435 4.019) 5.287 12.924 ( 0.000 -4.775 3.060) 5.671 12.993 ( 0.000 -7.467 3.448) 8.225 13.322 ( 0.000 2.061 6.915) 7.216 13.432 ( 0.000 0.178 -4.979) 4.982 13.579 ( 0.000 -5.366 3.978) 6.680 13.768 ( 0.000 -6.355 1.262) 6.480 13.863 ( 0.000 -0.736 -15.831) 15.848 14.130 ( 0.000 -7.371 -2.006) 7.639 14.216 ( 0.000 10.315 1.522) 10.426 14.673 ( 0.000 -10.280 3.818) 10.966 15.569 ( 0.000 6.663 0.164) 6.665 15.580 ( 0.000 4.622 2.425) 5.219 15.763 ( 0.000 0.503 2.090) 2.150 15.961 ( 0.000 -9.499 7.008) 11.804 19.510 ( 0.000 2.588 1.831) 3.170 19.677 ( 0.000 -5.279 -0.148) 5.282 19.839 ( 0.000 1.285 6.209) 6.341 19.951 ( 0.000 -3.833 4.980) 6.284 21.355 ( 0.000 12.135 -4.796) 13.048 21.399 ( 0.000 14.396 -6.401) 15.755 21.629 ( 0.000 1.290 -13.341) 13.403 21.783 ( 0.000 3.497 -6.014) 6.957 21.889 ( 0.000 -0.316 -4.880) 4.890 21.971 ( 0.000 -1.833 -4.907) 5.238 22.007 ( 0.000 3.884 -7.031) 8.033 22.187 ( 0.000 -0.581 -0.686) 0.899 23.125 ( 0.000 0.338 9.893) 9.899 23.155 ( 0.000 4.801 8.560) 9.815 23.291 ( 0.000 -3.145 11.849) 12.260 23.700 ( 0.000 -17.852 11.831) 21.416 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 7.524 25.167 15.983) 30.748 3.310 ( 4.600 20.006 26.277) 33.344 3.656 ( -5.656 1.938 6.050) 8.506 3.816 ( -0.669 -1.990 6.522) 6.851 3.831 ( -6.161 8.876 6.198) 12.456 4.024 ( 1.446 -5.218 3.881) 6.662 4.278 ( -3.342 -4.940 0.300) 5.972 4.587 ( -7.888 3.069 7.277) 11.162 4.976 ( -1.346 11.570 19.345) 22.581 5.050 ( 0.992 9.956 11.491) 15.236 5.236 ( -2.027 1.768 12.412) 12.700 5.371 ( -2.371 7.951 7.549) 11.218 5.610 ( 1.262 9.832 -2.575) 10.242 5.655 ( 4.977 11.456 7.320) 14.477 5.973 ( 1.150 -4.987 -2.465) 5.681 6.152 ( 1.062 -4.877 4.046) 6.425 6.713 ( 4.803 6.165 -8.560) 11.591 7.029 ( 5.580 -2.270 -9.290) 11.073 7.134 ( -7.514 8.307 -7.861) 13.684 7.456 ( 4.096 -5.030 -1.357) 6.627 7.468 ( 0.356 -2.082 -5.545) 5.934 7.613 ( 3.880 -9.459 -3.118) 10.689 7.780 ( -2.808 -0.193 -3.500) 4.491 7.823 ( 4.424 14.748 -13.940) 20.770 8.064 ( -5.659 7.255 0.730) 9.230 8.133 ( -1.649 1.667 0.361) 2.373 8.332 ( 0.588 4.296 -7.197) 8.402 8.491 ( 2.533 -1.751 -12.364) 12.742 8.571 ( -0.829 -7.666 -0.378) 7.720 8.787 ( 2.237 -6.251 -0.249) 6.644 8.842 ( -2.138 -1.559 -5.530) 6.130 9.295 ( -10.329 -5.577 -18.629) 22.018 9.669 ( 8.564 -0.144 -9.871) 13.069 9.950 ( 0.804 -1.873 -10.884) 11.073 10.025 ( 2.251 -1.953 -6.856) 7.476 10.166 ( -0.751 -1.034 -5.482) 5.629 10.336 ( 1.538 -0.316 2.239) 2.734 10.403 ( 4.994 0.077 -8.330) 9.713 10.658 ( -2.232 1.030 3.443) 4.230 10.850 ( -0.930 5.348 2.645) 6.038 10.947 ( 0.992 -2.972 -2.060) 3.750 11.069 ( -2.378 8.115 -1.482) 8.585 11.305 ( 1.714 4.685 1.246) 5.142 11.426 ( -1.525 6.724 0.725) 6.933 11.486 ( -2.360 1.766 1.434) 3.278 11.550 ( -4.299 -2.059 -4.491) 6.549 11.700 ( -1.075 0.465 -1.354) 1.791 11.819 ( -0.390 -0.430 -3.562) 3.609 11.931 ( -2.129 -14.636 4.607) 15.491 12.058 ( -2.708 -3.861 2.263) 5.231 12.131 ( 3.390 -2.918 -4.812) 6.570 12.323 ( 4.205 -2.707 -1.920) 5.357 12.524 ( 2.004 5.518 -4.169) 7.200 12.570 ( 2.796 3.635 3.813) 5.964 12.899 ( -2.117 -4.959 4.974) 7.335 12.974 ( -2.559 -7.757 2.621) 8.578 13.328 ( 1.559 2.734 5.417) 6.265 13.447 ( 1.194 -1.164 -4.967) 5.239 13.579 ( -0.233 -4.192 0.231) 4.204 13.721 ( -5.188 -10.917 -3.755) 12.656 13.899 ( 4.835 5.522 -6.657) 9.909 14.196 ( -1.754 8.745 1.105) 8.987 14.216 ( 7.058 -7.522 -0.667) 10.337 14.642 ( -3.369 -10.185 3.591) 11.313 15.563 ( -0.035 6.390 1.191) 6.500 15.596 ( 1.126 4.678 2.674) 5.505 15.746 ( -1.368 0.015 1.970) 2.399 15.914 ( -4.399 -8.097 6.418) 11.229 19.542 ( 3.129 2.718 2.182) 4.684 19.711 ( 3.001 -4.613 0.534) 5.529 19.813 ( -2.325 0.605 5.487) 5.990 19.937 ( -1.543 -4.315 4.569) 6.471 21.360 ( 0.413 12.397 -5.082) 13.404 21.395 ( -0.433 14.170 -6.399) 15.554 21.644 ( 1.521 0.704 -12.571) 12.682 21.772 ( -1.232 1.832 -6.636) 6.994 21.891 ( 0.535 1.417 -5.355) 5.565 21.988 ( -0.756 3.007 -3.876) 4.964 22.000 ( 1.634 -0.384 -7.359) 7.548 22.169 ( -1.797 -0.719 -1.198) 2.276 23.125 ( 0.263 1.555 9.538) 9.668 23.167 ( 0.495 4.943 9.335) 10.575 23.314 ( 2.701 -5.468 11.836) 13.315 23.650 ( -4.797 -16.259 12.008) 20.774 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 13.730 20.370 13.050) 27.816 3.347 ( -8.163 15.518 12.244) 21.386 3.528 ( 1.571 18.436 20.580) 27.675 3.670 ( -9.078 18.261 16.799) 26.421 3.889 ( 6.095 -13.109 -1.047) 14.495 4.003 ( -4.338 -9.835 -0.481) 10.760 4.262 ( 3.229 -9.018 3.637) 10.246 4.397 ( -9.797 -5.319 3.360) 11.643 4.988 ( 2.178 10.584 20.369) 23.058 5.038 ( -2.271 9.917 16.875) 19.705 5.244 ( 2.568 -0.437 7.942) 8.358 5.309 ( -3.619 1.827 6.025) 7.262 5.654 ( 2.928 14.832 -0.064) 15.119 5.699 ( -0.782 14.625 3.242) 15.001 6.038 ( 5.300 -2.370 2.455) 6.303 6.133 ( -3.380 -2.470 5.289) 6.745 6.837 ( 7.053 9.568 -9.821) 15.419 6.974 ( -7.104 10.694 -10.781) 16.765 7.175 ( 7.884 -2.292 -8.259) 11.646 7.348 ( -8.788 -3.656 -9.143) 13.198 7.598 ( 6.780 0.302 -1.379) 6.925 7.690 ( -0.777 -3.120 -1.224) 3.440 7.747 ( 4.425 -2.115 -1.867) 5.248 7.898 ( -5.571 0.126 -3.189) 6.420 7.981 ( 4.443 15.698 -7.235) 17.847 8.080 ( -3.756 7.703 -1.045) 8.634 8.344 ( 2.136 2.360 -2.083) 3.804 8.441 ( -6.519 4.213 0.120) 7.763 8.654 ( 7.730 -10.180 -12.918) 18.173 8.781 ( -4.464 -10.929 -10.961) 16.109 8.887 ( 8.008 -10.671 -6.960) 15.048 9.083 ( -11.266 -7.549 -15.072) 20.275 9.824 ( 6.802 2.416 -6.854) 9.954 9.920 ( -3.218 4.357 -6.919) 8.787 10.084 ( 3.049 -4.265 -5.888) 7.884 10.138 ( -2.258 -3.081 -6.462) 7.506 10.384 ( 3.573 3.389 -0.615) 4.963 10.455 ( -2.074 5.831 -3.966) 7.350 10.683 ( 6.309 -7.303 -0.368) 9.657 10.805 ( -4.348 -4.085 0.225) 5.970 10.966 ( 1.264 7.418 -0.102) 7.526 11.012 ( -3.278 10.026 -2.957) 10.955 11.353 ( 3.638 2.951 1.683) 4.978 11.402 ( -0.682 6.986 2.679) 7.513 11.434 ( -2.094 -0.901 5.659) 6.101 11.459 ( -4.770 -6.515 -2.638) 8.494 11.710 ( 1.950 2.502 -4.391) 5.417 11.769 ( -3.685 -0.046 -5.250) 6.414 11.937 ( 2.456 -7.670 0.610) 8.077 11.998 ( -3.323 -5.370 -0.280) 6.321 12.227 ( 5.368 -5.745 -3.055) 8.436 12.318 ( -3.472 -6.204 -3.356) 7.862 12.608 ( 4.425 7.350 -1.688) 8.743 12.627 ( 2.141 5.397 1.887) 6.106 12.862 ( -0.827 -6.745 6.345) 9.297 12.899 ( -4.188 -7.402 4.503) 9.623 13.391 ( 4.309 0.682 0.251) 4.369 13.455 ( -1.260 -1.424 -4.085) 4.506 13.574 ( 0.238 -4.302 -2.614) 5.039 13.615 ( -4.388 -8.276 -5.098) 10.665 14.019 ( 6.581 6.833 -0.689) 9.512 14.131 ( -4.672 8.329 0.820) 9.585 14.380 ( 8.933 -9.227 1.419) 12.920 14.540 ( -7.084 -9.767 2.907) 12.411 15.576 ( 1.442 6.011 2.628) 6.717 15.605 ( -0.786 5.288 3.631) 6.462 15.740 ( 1.762 -2.237 2.289) 3.654 15.815 ( -5.187 -5.129 4.563) 8.604 19.623 ( 4.898 2.886 3.120) 6.485 19.715 ( -3.917 2.532 3.998) 6.143 19.816 ( 3.675 -6.108 2.150) 7.446 19.889 ( -3.303 -5.435 3.368) 7.197 21.370 ( 0.667 12.996 -5.711) 14.211 21.384 ( -0.670 13.643 -6.224) 15.010 21.684 ( 2.525 -0.350 -10.605) 10.907 21.735 ( -2.475 -0.310 -8.332) 8.698 21.914 ( 1.740 3.964 -5.924) 7.338 21.953 ( -2.102 4.765 -6.137) 8.049 22.055 ( 3.348 -1.350 -3.824) 5.258 22.120 ( -3.104 -1.016 -2.382) 4.042 23.139 ( 1.117 3.001 9.645) 10.163 23.161 ( -0.982 4.459 9.790) 10.802 23.401 ( 6.004 -9.029 12.003) 16.176 23.531 ( -6.944 -12.696 12.180) 18.915 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 0.000 -22.055 8.966) 23.808 3.323 ( 0.000 22.055 8.966) 23.808 3.661 ( 0.000 -16.640 16.022) 23.099 3.661 ( 0.000 16.640 16.022) 23.099 3.983 ( 0.000 -4.130 8.294) 9.266 3.983 ( 0.000 4.130 8.294) 9.266 4.517 ( 0.000 -14.559 -1.312) 14.618 4.517 ( 0.000 14.559 -1.312) 14.618 5.186 ( 0.000 -4.079 14.645) 15.203 5.186 ( 0.000 4.079 14.645) 15.203 5.431 ( 0.000 -9.099 15.090) 17.621 5.431 ( 0.000 9.099 15.090) 17.621 5.678 ( 0.000 -0.606 1.349) 1.479 5.678 ( 0.000 0.606 1.349) 1.479 5.959 ( 0.000 -7.490 0.477) 7.505 5.959 ( 0.000 7.490 0.477) 7.505 6.875 ( 0.000 -10.567 -5.618) 11.967 6.875 ( 0.000 10.567 -5.618) 11.967 7.279 ( 0.000 -1.470 -7.467) 7.610 7.279 ( 0.000 1.470 -7.467) 7.610 7.422 ( 0.000 -0.644 -0.399) 0.757 7.422 ( 0.000 0.644 -0.399) 0.757 7.847 ( 0.000 -4.622 -10.183) 11.183 7.847 ( 0.000 4.622 -10.183) 11.183 8.240 ( 0.000 -9.752 -13.995) 17.058 8.240 ( 0.000 9.752 -13.995) 17.058 8.437 ( 0.000 -6.870 -1.695) 7.076 8.437 ( 0.000 6.870 -1.695) 7.076 8.553 ( 0.000 -10.895 4.627) 11.836 8.553 ( 0.000 10.895 4.627) 11.836 9.154 ( 0.000 -16.945 -16.833) 23.885 9.154 ( 0.000 16.945 -16.833) 23.885 9.642 ( 0.000 -9.020 -10.281) 13.677 9.642 ( 0.000 9.020 -10.281) 13.677 10.138 ( 0.000 -3.791 -6.211) 7.276 10.138 ( 0.000 3.791 -6.211) 7.276 10.317 ( 0.000 -1.396 -2.742) 3.077 10.317 ( 0.000 1.396 -2.742) 3.077 10.778 ( 0.000 -6.264 -0.829) 6.318 10.778 ( 0.000 6.264 -0.829) 6.318 11.058 ( 0.000 -7.581 2.097) 7.866 11.058 ( 0.000 7.581 2.097) 7.866 11.491 ( 0.000 -6.018 -10.465) 12.072 11.491 ( 0.000 6.018 -10.465) 12.072 11.574 ( 0.000 -5.934 2.312) 6.369 11.574 ( 0.000 5.934 2.312) 6.369 11.782 ( 0.000 -0.188 13.227) 13.228 11.782 ( 0.000 0.188 13.227) 13.228 11.795 ( 0.000 -12.138 -4.505) 12.947 11.795 ( 0.000 12.138 -4.505) 12.947 12.240 ( 0.000 -1.622 0.730) 1.779 12.240 ( 0.000 1.622 0.730) 1.779 12.555 ( 0.000 -0.966 2.023) 2.242 12.555 ( 0.000 0.966 2.023) 2.242 12.891 ( 0.000 -1.726 1.251) 2.132 12.891 ( 0.000 1.726 1.251) 2.132 13.396 ( 0.000 -4.056 3.605) 5.427 13.396 ( 0.000 4.056 3.605) 5.427 13.576 ( 0.000 -6.272 -2.614) 6.795 13.576 ( 0.000 6.272 -2.614) 6.795 13.979 ( 0.000 -7.096 -6.002) 9.294 13.979 ( 0.000 7.096 -6.002) 9.294 14.445 ( 0.000 -11.414 1.237) 11.480 14.445 ( 0.000 11.414 1.237) 11.480 15.636 ( 0.000 -0.374 0.363) 0.521 15.636 ( 0.000 0.374 0.363) 0.521 15.814 ( 0.000 -4.946 4.442) 6.648 15.814 ( 0.000 4.946 4.442) 6.648 19.579 ( 0.000 -4.038 0.953) 4.148 19.579 ( 0.000 4.038 0.953) 4.148 19.883 ( 0.000 -2.747 5.694) 6.322 19.883 ( 0.000 2.747 5.694) 6.322 21.550 ( 0.000 -7.055 -5.334) 8.845 21.550 ( 0.000 7.055 -5.334) 8.845 21.676 ( 0.000 -10.929 -6.887) 12.918 21.676 ( 0.000 10.929 -6.887) 12.918 21.925 ( 0.000 -2.481 -7.332) 7.741 21.925 ( 0.000 2.481 -7.332) 7.741 22.132 ( 0.000 -5.117 -4.198) 6.618 22.132 ( 0.000 5.117 -4.198) 6.618 23.158 ( 0.000 -2.602 9.904) 10.240 23.158 ( 0.000 2.602 9.904) 10.240 23.393 ( 0.000 -11.497 11.175) 16.033 23.393 ( 0.000 11.497 11.175) 16.033 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 4.690 -21.197 8.158) 23.192 3.368 ( 4.690 21.197 8.158) 23.192 3.688 ( 2.040 -15.178 13.354) 20.319 3.688 ( 2.040 15.178 13.354) 20.319 3.945 ( -3.067 -6.431 10.189) 12.433 3.945 ( -3.067 6.431 10.189) 12.433 4.391 ( -11.716 -14.098 1.648) 18.405 4.391 ( -11.716 14.098 1.648) 18.405 5.158 ( -1.312 -5.005 11.982) 13.051 5.158 ( -1.312 5.005 11.982) 13.051 5.365 ( -5.718 -8.770 13.507) 17.090 5.365 ( -5.718 8.770 13.507) 17.090 5.776 ( 8.000 -4.313 1.813) 9.267 5.776 ( 8.000 4.313 1.813) 9.267 5.990 ( 1.770 -9.299 3.542) 10.107 5.990 ( 1.770 9.299 3.542) 10.107 6.906 ( 4.006 -9.351 -7.393) 12.576 6.906 ( 4.006 9.351 -7.393) 12.576 7.296 ( -0.449 -7.486 -9.355) 11.990 7.296 ( -0.449 7.486 -9.355) 11.990 7.472 ( 5.710 -2.414 -0.134) 6.201 7.472 ( 5.710 2.414 -0.134) 6.201 7.840 ( -0.957 -6.232 -6.933) 9.371 7.840 ( -0.957 6.232 -6.933) 9.371 8.271 ( 2.273 -8.792 -10.759) 14.079 8.271 ( 2.273 8.792 -10.759) 14.079 8.401 ( -2.481 -5.307 -1.206) 5.981 8.401 ( -2.481 5.307 -1.206) 5.981 8.536 ( -0.579 -12.802 0.493) 12.825 8.536 ( -0.579 12.802 0.493) 12.825 9.046 ( -9.185 -15.423 -18.377) 25.690 9.046 ( -9.185 15.423 -18.377) 25.690 9.758 ( 9.241 -8.551 -8.645) 15.273 9.758 ( 9.241 8.551 -8.645) 15.273 10.113 ( -2.460 -4.264 -5.973) 7.740 10.113 ( -2.460 4.264 -5.973) 7.740 10.362 ( 4.661 -2.616 -2.868) 6.066 10.362 ( 4.661 2.616 -2.868) 6.066 10.743 ( -3.530 -6.725 -0.728) 7.630 10.743 ( -3.530 6.725 -0.728) 7.630 11.092 ( 3.183 -6.723 1.672) 7.624 11.092 ( 3.183 6.723 1.672) 7.624 11.413 ( -6.901 -5.212 -6.151) 10.612 11.413 ( -6.901 5.212 -6.151) 10.612 11.573 ( 0.120 -9.919 3.307) 10.456 11.573 ( 0.120 9.919 3.307) 10.456 11.696 ( -3.744 -9.780 1.714) 10.612 11.696 ( -3.744 9.780 1.714) 10.612 11.908 ( 6.076 -9.083 1.211) 10.995 11.908 ( 6.076 9.083 1.211) 10.995 12.204 ( -3.446 -7.893 -0.684) 8.639 12.204 ( -3.446 7.893 -0.684) 8.639 12.597 ( 3.999 -0.941 2.896) 5.026 12.597 ( 3.999 0.941 2.896) 5.026 12.870 ( -2.288 -2.160 2.148) 3.810 12.870 ( -2.288 2.160 2.148) 3.810 13.410 ( 1.421 -4.026 2.102) 4.759 13.410 ( 1.421 4.026 2.102) 4.759 13.549 ( -2.360 -4.005 -3.342) 5.725 13.549 ( -2.360 4.005 -3.342) 5.725 14.043 ( 6.091 -7.846 -3.785) 10.630 14.043 ( 6.091 7.846 -3.785) 10.630 14.417 ( -2.966 -11.130 1.078) 11.569 14.417 ( -2.966 11.130 1.078) 11.569 15.642 ( 0.670 -1.072 0.785) 1.488 15.642 ( 0.670 1.072 0.785) 1.488 15.786 ( -2.704 -4.422 4.193) 6.667 15.786 ( -2.704 4.422 4.193) 6.667 19.613 ( 3.400 -4.207 1.340) 5.573 19.613 ( 3.400 4.207 1.340) 5.573 19.859 ( -2.435 -3.139 5.197) 6.542 19.859 ( -2.435 3.139 5.197) 6.542 21.559 ( 0.978 -7.235 -5.510) 9.147 21.559 ( 0.978 7.235 -5.510) 9.147 21.660 ( -1.480 -10.253 -6.729) 12.353 21.660 ( -1.480 10.253 -6.729) 12.353 21.948 ( 2.256 -2.882 -7.108) 7.995 21.948 ( 2.256 2.882 -7.108) 7.995 22.114 ( -1.790 -4.949 -4.600) 6.990 22.114 ( -1.790 4.949 -4.600) 6.990 23.178 ( 2.039 -3.617 10.151) 10.967 23.178 ( 2.039 3.617 10.151) 10.967 23.368 ( -2.457 -10.612 11.176) 15.607 23.368 ( -2.457 10.612 11.176) 15.607 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( 8.592 -18.333 6.731) 21.336 3.501 ( 8.592 18.333 6.731) 21.336 3.662 ( -6.250 -13.919 7.031) 16.800 3.662 ( -6.250 13.919 7.031) 16.800 3.950 ( 5.647 -14.056 13.047) 19.992 3.950 ( 5.647 14.055 13.047) 19.992 4.138 ( -12.595 -14.373 7.684) 20.598 4.138 ( -12.595 14.373 7.684) 20.598 5.168 ( 2.541 -6.356 10.650) 12.660 5.168 ( 2.541 6.356 10.650) 12.660 5.250 ( -5.521 -7.384 11.248) 14.543 5.250 ( -5.521 7.384 11.248) 14.543 5.918 ( 5.785 -8.368 3.430) 10.736 5.918 ( 5.785 8.368 3.430) 10.736 5.991 ( -1.809 -10.497 4.773) 11.672 5.991 ( -1.809 10.497 4.773) 11.672 7.038 ( 8.971 -7.638 -9.993) 15.449 7.038 ( 8.971 7.638 -9.993) 15.449 7.212 ( -7.717 -8.307 -11.288) 15.999 7.212 ( -7.717 8.307 -11.288) 15.999 7.630 ( 9.286 -2.623 -0.300) 9.654 7.630 ( 9.286 2.623 -0.300) 9.654 7.784 ( -5.569 -6.592 -1.865) 8.829 7.784 ( -5.569 6.592 -1.865) 8.829 8.294 ( 1.260 -3.865 0.045) 4.065 8.294 ( 1.260 3.865 0.045) 4.065 8.348 ( -3.633 -7.072 0.806) 7.991 8.348 ( -3.633 7.072 0.806) 7.991 8.620 ( 9.606 -12.346 -14.138) 21.085 8.620 ( 9.606 12.346 -14.138) 21.085 8.840 ( -11.709 -13.680 -18.985) 26.166 8.840 ( -11.709 13.680 -18.985) 26.166 9.926 ( 7.460 -6.868 -6.439) 12.012 9.926 ( 7.460 6.868 -6.439) 12.012 10.043 ( -4.748 -5.229 -5.669) 9.057 10.043 ( -4.748 5.229 -5.669) 9.057 10.490 ( 7.969 -5.697 -2.537) 10.119 10.490 ( 7.969 5.697 -2.537) 10.119 10.641 ( -6.889 -7.322 -1.269) 10.133 10.641 ( -6.889 7.322 -1.269) 10.133 11.169 ( 4.579 -5.595 0.592) 7.254 11.169 ( 4.579 5.595 0.592) 7.254 11.274 ( -6.502 -5.239 -1.488) 8.482 11.274 ( -6.502 5.239 -1.488) 8.482 11.587 ( 1.509 -10.836 1.966) 11.115 11.587 ( 1.509 10.836 1.966) 11.115 11.632 ( -2.951 -10.679 0.423) 11.088 11.632 ( -2.951 10.679 0.423) 11.088 12.019 ( 5.442 -10.484 -1.330) 11.887 12.019 ( 5.442 10.484 -1.330) 11.887 12.120 ( -4.917 -10.569 -1.971) 11.823 12.120 ( -4.917 10.569 -1.971) 11.823 12.695 ( 5.681 -0.964 3.501) 6.742 12.695 ( 5.681 0.964 3.501) 6.742 12.800 ( -4.797 -1.983 3.233) 6.115 12.800 ( -4.797 1.983 3.233) 6.115 13.447 ( 2.334 -2.939 -0.680) 3.814 13.447 ( 2.334 2.939 -0.680) 3.814 13.497 ( -2.772 -1.191 -2.871) 4.164 13.497 ( -2.772 1.191 -2.871) 4.164 14.187 ( 7.959 -8.997 -0.903) 12.047 14.187 ( 7.959 8.997 -0.903) 12.047 14.328 ( -6.181 -10.231 0.522) 11.965 14.328 ( -6.181 10.231 0.522) 11.965 15.668 ( 2.133 -2.138 1.944) 3.591 15.668 ( 2.133 2.138 1.944) 3.591 15.723 ( -3.366 -3.290 3.311) 5.755 15.723 ( -3.366 3.290 3.311) 5.755 19.698 ( 4.960 -4.301 2.440) 7.004 19.698 ( 4.960 4.301 2.440) 7.004 19.792 ( -4.374 -3.876 3.926) 7.040 19.792 ( -4.374 3.876 3.926) 7.040 21.586 ( 1.778 -7.866 -5.911) 9.999 21.586 ( 1.778 7.866 -5.911) 9.999 21.625 ( -2.045 -8.972 -6.354) 11.183 21.625 ( -2.045 8.972 -6.354) 11.183 22.004 ( 3.261 -3.644 -6.469) 8.109 22.004 ( 3.261 3.644 -6.469) 8.109 22.066 ( -3.015 -4.421 -5.527) 7.693 22.066 ( -3.015 4.421 -5.527) 7.693 23.233 ( 3.482 -5.828 10.668) 12.645 23.233 ( 3.482 5.828 10.668) 12.645 23.305 ( -3.739 -8.416 11.058) 14.390 23.305 ( -3.739 8.416 11.058) 14.390 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.000 0.000 32.554) 32.554 2.453 ( 0.000 0.000 36.425) 36.425 3.049 ( 0.000 0.000 16.995) 16.995 3.595 ( 0.000 0.000 -7.519) 7.519 3.845 ( 0.000 0.000 -7.014) 7.014 3.932 ( 0.000 0.000 -0.540) 0.540 4.112 ( 0.000 0.000 -1.914) 1.914 4.137 ( 0.000 0.000 0.231) 0.231 4.549 ( 0.000 0.000 -11.961) 11.961 4.611 ( 0.000 0.000 -7.124) 7.124 5.039 ( 0.000 0.000 63.290) 63.290 5.412 ( 0.000 0.000 16.838) 16.838 5.412 ( 0.000 0.000 -5.956) 5.956 5.825 ( 0.000 0.000 12.493) 12.493 6.076 ( 0.000 0.000 -11.449) 11.449 6.130 ( 0.000 0.000 -19.849) 19.849 6.231 ( 0.000 0.000 -3.520) 3.520 6.644 ( 0.000 0.000 -10.701) 10.701 6.724 ( 0.000 0.000 3.559) 3.559 7.553 ( 0.000 0.000 -10.534) 10.534 7.739 ( 0.000 0.000 -1.626) 1.626 7.823 ( 0.000 0.000 3.150) 3.150 7.835 ( 0.000 0.000 3.246) 3.246 7.879 ( 0.000 0.000 0.329) 0.329 8.013 ( 0.000 0.000 -9.105) 9.105 8.273 ( 0.000 0.000 8.306) 8.306 8.285 ( 0.000 0.000 3.004) 3.004 8.485 ( 0.000 0.000 3.864) 3.864 8.612 ( 0.000 0.000 2.215) 2.215 8.809 ( 0.000 0.000 -3.389) 3.389 8.852 ( 0.000 0.000 7.563) 7.563 9.114 ( 0.000 0.000 -10.719) 10.719 9.314 ( 0.000 0.000 -12.808) 12.808 9.806 ( 0.000 0.000 -1.749) 1.749 9.883 ( 0.000 0.000 -8.569) 8.569 10.290 ( 0.000 0.000 -1.605) 1.605 10.309 ( 0.000 0.000 -7.941) 7.941 10.378 ( 0.000 0.000 5.740) 5.740 10.463 ( 0.000 0.000 9.627) 9.627 10.645 ( 0.000 0.000 0.999) 0.999 10.680 ( 0.000 0.000 -1.928) 1.928 10.971 ( 0.000 0.000 -6.758) 6.758 10.996 ( 0.000 0.000 -11.295) 11.295 11.257 ( 0.000 0.000 -9.955) 9.955 11.382 ( 0.000 0.000 -7.770) 7.770 11.397 ( 0.000 0.000 -10.467) 10.467 11.635 ( 0.000 0.000 -1.703) 1.703 11.752 ( 0.000 0.000 -14.386) 14.386 11.766 ( 0.000 0.000 -12.425) 12.425 11.780 ( 0.000 0.000 -6.601) 6.601 12.047 ( 0.000 0.000 -0.197) 0.197 12.524 ( 0.000 0.000 -0.270) 0.270 12.693 ( 0.000 0.000 3.010) 3.010 12.770 ( 0.000 0.000 -0.681) 0.681 12.951 ( 0.000 0.000 -1.348) 1.348 13.010 ( 0.000 0.000 -15.876) 15.876 13.459 ( 0.000 0.000 10.168) 10.168 13.719 ( 0.000 0.000 8.642) 8.642 13.817 ( 0.000 0.000 2.871) 2.871 13.854 ( 0.000 0.000 9.311) 9.311 14.123 ( 0.000 0.000 9.700) 9.700 14.435 ( 0.000 0.000 -2.912) 2.912 14.538 ( 0.000 0.000 -3.914) 3.914 14.604 ( 0.000 0.000 -7.317) 7.317 15.261 ( 0.000 0.000 0.126) 0.126 15.635 ( 0.000 0.000 -2.784) 2.784 15.682 ( 0.000 0.000 16.985) 16.985 17.006 ( 0.000 0.000 -7.578) 7.578 19.544 ( 0.000 0.000 4.876) 4.876 19.862 ( 0.000 0.000 4.431) 4.431 20.103 ( 0.000 0.000 0.322) 0.322 20.204 ( 0.000 0.000 2.747) 2.747 20.276 ( 0.000 0.000 4.005) 4.005 20.546 ( 0.000 0.000 -4.906) 4.906 20.660 ( 0.000 0.000 -4.131) 4.131 21.246 ( 0.000 0.000 -19.512) 19.512 21.910 ( 0.000 0.000 0.435) 0.435 21.991 ( 0.000 0.000 1.059) 1.059 22.061 ( 0.000 0.000 2.674) 2.674 22.173 ( 0.000 0.000 -2.193) 2.193 23.212 ( 0.000 0.000 11.099) 11.099 23.346 ( 0.000 0.000 7.865) 7.865 23.779 ( 0.000 0.000 12.246) 12.246 24.681 ( 0.000 0.000 -9.651) 9.651 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 9.038 0.000 30.412) 31.726 2.637 ( 17.533 0.000 33.174) 37.522 2.996 ( -5.683 0.000 17.898) 18.779 3.618 ( 2.325 0.000 -7.061) 7.434 3.816 ( -12.472 0.000 12.865) 17.918 3.818 ( -2.570 0.000 -6.764) 7.236 4.080 ( 2.382 0.000 -8.708) 9.028 4.219 ( 2.760 0.000 -6.755) 7.297 4.558 ( 0.937 0.000 -11.230) 11.269 4.612 ( -0.021 0.000 -7.682) 7.682 5.095 ( 5.831 0.000 60.766) 61.045 5.342 ( -1.388 0.000 11.835) 11.916 5.558 ( 8.840 0.000 1.078) 8.905 5.834 ( 0.760 0.000 11.291) 11.317 6.070 ( -0.129 0.000 -11.475) 11.476 6.091 ( -3.811 0.000 -17.543) 17.953 6.206 ( -2.525 0.000 -6.954) 7.398 6.500 ( -14.376 0.000 -4.822) 15.163 6.809 ( 8.285 0.000 5.346) 9.860 7.473 ( -7.841 0.000 -5.378) 9.508 7.745 ( -2.703 0.000 -1.802) 3.249 7.756 ( 1.876 0.000 -2.470) 3.102 7.840 ( -1.361 0.000 3.510) 3.764 7.907 ( 1.521 0.000 -1.370) 2.046 7.997 ( -2.095 0.000 -8.616) 8.867 8.190 ( -7.974 0.000 2.378) 8.321 8.222 ( -3.149 0.000 7.144) 7.807 8.442 ( -4.150 0.000 3.027) 5.137 8.697 ( 6.765 0.000 1.793) 6.999 8.875 ( 1.735 0.000 5.965) 6.212 8.893 ( 7.289 0.000 -3.784) 8.213 9.257 ( 12.542 0.000 -11.699) 17.151 9.280 ( -3.478 0.000 -11.489) 12.004 9.741 ( -3.850 0.000 -1.236) 4.043 9.936 ( 3.343 0.000 -8.270) 8.920 10.307 ( -2.220 0.000 -9.030) 9.299 10.314 ( 2.230 0.000 -1.730) 2.822 10.395 ( 1.507 0.000 4.867) 5.095 10.455 ( -0.519 0.000 9.051) 9.066 10.620 ( -2.587 0.000 1.330) 2.909 10.740 ( 6.159 0.000 -3.488) 7.078 10.993 ( -0.902 0.000 -9.604) 9.646 11.012 ( 4.130 0.000 -6.099) 7.365 11.240 ( 1.174 0.000 -6.000) 6.113 11.351 ( -3.360 0.000 -8.926) 9.537 11.483 ( 6.330 0.000 -14.046) 15.406 11.643 ( 1.017 0.000 -0.993) 1.422 11.659 ( -8.085 0.000 -10.041) 12.891 11.743 ( -2.571 0.000 -15.196) 15.412 11.766 ( -1.414 0.000 -5.925) 6.092 12.093 ( 4.694 0.000 -1.411) 4.901 12.526 ( -1.265 0.000 -3.610) 3.825 12.700 ( 0.759 0.000 2.688) 2.793 12.763 ( -0.685 0.000 -0.304) 0.749 12.933 ( -1.682 0.000 -4.164) 4.491 12.989 ( -1.321 0.000 -9.109) 9.204 13.509 ( 5.019 0.000 8.509) 9.879 13.733 ( 1.375 0.000 8.586) 8.696 13.836 ( 0.630 0.000 1.070) 1.242 13.842 ( -1.192 0.000 9.140) 9.217 14.109 ( -0.144 0.000 9.711) 9.712 14.452 ( 1.654 0.000 -3.345) 3.732 14.489 ( -5.197 0.000 -2.295) 5.681 14.588 ( -1.561 0.000 -6.908) 7.082 15.272 ( 2.286 0.000 1.270) 2.615 15.623 ( -4.207 0.000 -2.304) 4.797 15.777 ( 11.705 0.000 14.843) 18.903 16.831 ( -16.337 0.000 -2.621) 16.546 19.577 ( 3.389 0.000 5.279) 6.273 19.858 ( -1.999 0.000 6.907) 7.190 20.209 ( 0.532 0.000 2.798) 2.848 20.246 ( 14.671 0.000 -7.377) 16.421 20.267 ( -0.900 0.000 3.745) 3.851 20.560 ( 1.310 0.000 -4.694) 4.874 20.651 ( -0.917 0.000 -4.139) 4.239 21.168 ( -7.981 0.000 -19.822) 21.368 21.913 ( 0.281 0.000 0.891) 0.934 21.974 ( -1.458 0.000 1.665) 2.213 22.077 ( 1.436 0.000 1.919) 2.397 22.165 ( -0.809 0.000 -1.762) 1.938 23.228 ( 1.577 0.000 10.896) 11.009 23.338 ( -0.927 0.000 8.643) 8.692 23.841 ( 6.419 0.000 10.621) 12.410 24.563 ( -11.232 0.000 -6.026) 12.746 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 13.225 0.000 25.592) 28.807 2.828 ( -11.352 0.000 20.845) 23.736 3.055 ( 23.594 0.000 27.003) 35.858 3.491 ( -20.347 0.000 21.020) 29.255 3.679 ( 3.777 0.000 -6.367) 7.403 3.755 ( -3.768 0.000 -6.331) 7.368 4.158 ( 4.431 0.000 -10.772) 11.648 4.225 ( -1.969 0.000 -10.578) 10.759 4.582 ( 1.360 0.000 -9.928) 10.020 4.605 ( -0.812 0.000 -8.761) 8.798 5.242 ( 7.769 0.000 48.556) 49.174 5.331 ( -1.195 0.000 25.788) 25.816 5.745 ( 9.975 0.000 -0.933) 10.018 5.846 ( -0.102 0.000 5.748) 5.749 6.013 ( -2.165 0.000 -10.337) 10.561 6.087 ( 2.007 0.000 -11.852) 12.021 6.143 ( -3.482 0.000 -10.795) 11.343 6.162 ( -17.078 0.000 0.747) 17.094 7.019 ( 12.659 0.000 5.745) 13.902 7.270 ( -12.426 0.000 1.796) 12.555 7.758 ( 2.979 0.000 -5.043) 5.857 7.810 ( -1.803 0.000 -0.845) 1.991 7.811 ( 3.707 0.000 -2.336) 4.381 7.887 ( -3.458 0.000 -1.661) 3.837 7.958 ( -0.158 0.000 -4.887) 4.890 8.034 ( -7.127 0.000 0.959) 7.191 8.229 ( 4.085 0.000 3.514) 5.388 8.338 ( -6.141 0.000 2.296) 6.556 8.818 ( 5.105 0.000 1.533) 5.331 8.883 ( -1.421 0.000 2.982) 3.303 9.046 ( 7.854 0.000 -5.747) 9.732 9.184 ( -6.187 0.000 -8.613) 10.605 9.509 ( 11.520 0.000 -11.462) 16.251 9.665 ( -4.927 0.000 -5.181) 7.150 10.025 ( 6.615 0.000 -7.026) 9.650 10.189 ( -8.995 0.000 -8.622) 12.460 10.364 ( 2.592 0.000 -0.754) 2.700 10.404 ( -1.242 0.000 1.924) 2.290 10.475 ( 3.144 0.000 7.523) 8.154 10.552 ( -4.154 0.000 3.593) 5.493 10.876 ( 6.355 0.000 -4.228) 7.633 10.960 ( -2.539 0.000 -5.424) 5.989 11.121 ( 6.708 0.000 -6.675) 9.463 11.253 ( -6.411 0.000 -8.650) 10.766 11.323 ( 6.631 0.000 -5.305) 8.492 11.479 ( -9.084 0.000 -5.621) 10.682 11.601 ( 5.003 0.000 -18.120) 18.798 11.677 ( 2.422 0.000 -1.816) 3.027 11.682 ( -3.543 0.000 -16.625) 16.998 11.727 ( -2.455 0.000 -4.086) 4.767 12.231 ( 9.431 0.000 -4.761) 10.565 12.425 ( -8.996 0.000 -7.426) 11.665 12.720 ( 1.217 0.000 1.812) 2.183 12.744 ( -1.176 0.000 0.666) 1.352 12.924 ( 1.208 0.000 -3.005) 3.239 12.960 ( -1.911 0.000 -3.615) 4.089 13.640 ( 7.874 0.000 4.749) 9.195 13.768 ( 2.142 0.000 8.572) 8.835 13.784 ( -5.998 0.000 1.582) 6.204 13.810 ( -2.030 0.000 8.791) 9.022 14.177 ( 7.192 0.000 6.301) 9.561 14.345 ( -8.986 0.000 1.532) 9.115 14.495 ( 2.627 0.000 -4.466) 5.182 14.547 ( -2.568 0.000 -5.826) 6.367 15.364 ( 6.765 0.000 1.533) 6.936 15.507 ( -7.266 0.000 0.749) 7.305 16.072 ( 18.003 0.000 9.616) 20.410 16.454 ( -20.718 0.000 4.868) 21.282 19.668 ( 5.652 0.000 6.277) 8.446 19.780 ( -5.435 0.000 7.318) 9.116 20.224 ( 0.976 0.000 2.968) 3.124 20.245 ( -1.183 0.000 3.294) 3.500 20.592 ( 1.834 0.000 -4.368) 4.737 20.597 ( 19.352 0.000 -15.827) 25.000 20.626 ( -1.611 0.000 -4.192) 4.491 20.941 ( -15.247 0.000 -19.409) 24.682 21.923 ( 0.814 0.000 1.710) 1.894 21.944 ( -1.389 0.000 2.089) 2.509 22.110 ( 1.774 0.000 0.653) 1.890 22.142 ( -1.489 0.000 -0.678) 1.636 23.267 ( 2.251 0.000 10.473) 10.712 23.309 ( -1.931 0.000 9.812) 10.000 24.024 ( 12.239 0.000 6.679) 13.942 24.296 ( -14.999 0.000 0.920) 15.027 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 0.000 8.486 33.544) 34.601 2.616 ( 0.000 30.161 28.316) 41.370 3.263 ( 0.000 18.830 16.281) 24.892 3.747 ( 0.000 11.985 -5.820) 13.323 3.793 ( 0.000 -1.988 3.489) 4.016 3.940 ( 0.000 -0.881 -6.786) 6.843 4.180 ( 0.000 5.120 -0.414) 5.137 4.270 ( 0.000 13.108 -6.912) 14.819 4.745 ( 0.000 16.748 -10.142) 19.580 4.760 ( 0.000 12.550 -4.087) 13.199 5.079 ( 0.000 4.697 61.241) 61.421 5.348 ( 0.000 -3.524 14.322) 14.749 5.436 ( 0.000 2.542 -5.263) 5.845 5.742 ( 0.000 -5.931 17.314) 18.302 6.077 ( 0.000 -4.475 -18.083) 18.629 6.224 ( 0.000 11.338 -14.050) 18.054 6.256 ( 0.000 0.908 -1.753) 1.974 6.604 ( 0.000 -2.095 -9.176) 9.412 6.831 ( 0.000 9.178 1.475) 9.296 7.427 ( 0.000 -11.829 -4.787) 12.761 7.606 ( 0.000 -12.004 -2.165) 12.198 7.692 ( 0.000 -3.130 -6.566) 7.274 7.819 ( 0.000 -1.103 -1.813) 2.122 7.933 ( 0.000 -4.563 -5.449) 7.107 7.946 ( 0.000 -2.484 3.876) 4.604 8.206 ( 0.000 -4.789 3.968) 6.219 8.334 ( 0.000 2.381 0.397) 2.414 8.550 ( 0.000 1.044 3.623) 3.771 8.710 ( 0.000 7.655 7.604) 10.790 8.799 ( 0.000 -5.938 -7.385) 9.476 8.895 ( 0.000 -6.032 -5.296) 8.028 8.904 ( 0.000 6.253 -0.125) 6.255 9.491 ( 0.000 5.869 -10.926) 12.403 9.787 ( 0.000 -1.000 -3.206) 3.359 9.884 ( 0.000 1.592 -9.887) 10.015 10.134 ( 0.000 -11.097 -9.396) 14.541 10.228 ( 0.000 -3.473 1.068) 3.633 10.452 ( 0.000 4.109 6.415) 7.618 10.623 ( 0.000 9.334 5.515) 10.841 10.706 ( 0.000 6.834 3.059) 7.487 10.720 ( 0.000 2.528 0.738) 2.634 10.908 ( 0.000 -2.921 -12.494) 12.831 11.108 ( 0.000 7.618 -6.632) 10.101 11.244 ( 0.000 -2.860 -8.880) 9.330 11.377 ( 0.000 0.823 -6.760) 6.809 11.436 ( 0.000 4.290 -10.253) 11.114 11.549 ( 0.000 -8.869 -11.840) 14.793 11.667 ( 0.000 6.102 -7.032) 9.310 11.879 ( 0.000 8.374 -8.523) 11.948 11.979 ( 0.000 0.595 -2.273) 2.350 12.097 ( 0.000 10.898 -3.433) 11.426 12.365 ( 0.000 -12.125 1.399) 12.206 12.653 ( 0.000 -5.033 2.279) 5.525 12.782 ( 0.000 -3.582 0.563) 3.626 12.889 ( 0.000 -1.441 -3.183) 3.494 13.043 ( 0.000 2.773 -15.980) 16.219 13.405 ( 0.000 -3.851 9.422) 10.179 13.682 ( 0.000 -9.145 4.932) 10.390 13.765 ( 0.000 3.015 9.651) 10.111 13.871 ( 0.000 -2.544 4.452) 5.128 14.112 ( 0.000 0.568 9.862) 9.878 14.276 ( 0.000 -14.899 -4.590) 15.590 14.414 ( 0.000 -2.175 0.337) 2.201 14.810 ( 0.000 9.014 -5.853) 10.747 15.333 ( 0.000 6.029 -1.081) 6.125 15.609 ( 0.000 -3.255 12.906) 13.310 15.671 ( 0.000 0.313 -0.265) 0.410 16.779 ( 0.000 -18.818 -2.599) 18.997 19.530 ( 0.000 -0.673 4.320) 4.372 19.842 ( 0.000 -2.203 1.892) 2.904 20.038 ( 0.000 -4.233 3.674) 5.605 20.201 ( 0.000 -2.420 3.753) 4.465 20.519 ( 0.000 21.955 -2.747) 22.126 20.659 ( 0.000 9.966 -5.019) 11.158 20.779 ( 0.000 10.070 -4.948) 11.220 21.299 ( 0.000 4.904 -18.807) 19.436 21.910 ( 0.000 -0.146 0.469) 0.491 21.987 ( 0.000 -0.543 0.604) 0.812 22.043 ( 0.000 -1.641 2.524) 3.011 22.173 ( 0.000 0.117 -1.969) 1.973 23.221 ( 0.000 0.918 10.773) 10.812 23.337 ( 0.000 -0.766 7.964) 8.001 23.739 ( 0.000 -3.682 12.014) 12.565 24.541 ( 0.000 -12.529 -6.131) 13.949 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 7.656 15.276 30.099) 34.610 2.767 ( 13.587 18.952 27.369) 35.956 3.215 ( -4.901 19.013 17.358) 26.208 3.698 ( -7.980 -0.481 8.998) 12.037 3.778 ( 1.508 9.359 -6.240) 11.350 3.963 ( 1.120 3.551 -5.869) 6.950 4.161 ( -0.765 7.919 -4.280) 9.034 4.265 ( -0.854 7.244 -8.191) 10.968 4.740 ( 0.121 15.118 -8.120) 17.161 4.772 ( 0.513 13.931 -5.735) 15.074 5.125 ( 4.734 3.686 56.567) 56.884 5.303 ( -1.504 -1.996 12.667) 12.911 5.542 ( 7.401 -0.840 -0.080) 7.449 5.761 ( 1.308 -4.508 15.635) 16.324 6.029 ( -4.147 -4.125 -11.826) 13.193 6.155 ( -3.503 2.289 -11.871) 12.587 6.285 ( -0.229 8.205 -10.084) 13.002 6.531 ( -7.895 3.910 -6.491) 10.943 6.894 ( 5.942 7.017 4.340) 10.168 7.376 ( -4.370 -8.772 -2.354) 10.079 7.600 ( 0.702 -9.549 -3.634) 10.242 7.706 ( 0.953 -5.070 -5.217) 7.337 7.790 ( -2.426 -3.107 -1.597) 4.253 7.873 ( -3.175 -6.093 -1.913) 7.132 7.939 ( -2.021 -1.583 -2.498) 3.582 8.095 ( -7.422 -2.647 1.632) 8.047 8.386 ( 1.276 5.403 3.538) 6.583 8.554 ( -1.421 4.070 2.784) 5.132 8.655 ( -0.362 -2.510 1.126) 2.775 8.852 ( -2.287 -0.178 -0.202) 2.303 8.932 ( 7.961 -0.352 -5.375) 9.612 9.023 ( 9.965 -5.658 -6.008) 12.939 9.506 ( 0.918 7.655 -10.471) 13.003 9.731 ( -2.740 -0.459 -2.790) 3.938 9.938 ( 2.845 0.921 -10.056) 10.491 10.124 ( -1.624 -10.251 -8.734) 13.565 10.274 ( 4.490 -3.170 1.873) 5.807 10.463 ( 1.133 3.280 6.971) 7.787 10.598 ( -2.899 8.865 2.186) 9.580 10.646 ( -3.253 4.548 2.869) 6.285 10.778 ( 3.932 0.824 -0.738) 4.085 10.941 ( 2.141 -1.465 -11.755) 12.038 11.104 ( 1.124 5.348 -4.832) 7.295 11.269 ( 0.316 0.612 -7.411) 7.443 11.358 ( -1.949 3.367 -6.369) 7.463 11.437 ( 2.086 -1.976 -8.420) 8.896 11.523 ( -2.264 -6.543 -11.480) 13.406 11.692 ( 1.186 5.604 -13.340) 14.518 11.855 ( -1.156 10.182 -3.609) 10.864 12.007 ( 1.034 8.488 -5.428) 10.128 12.079 ( 0.093 3.279 -1.389) 3.563 12.364 ( -0.979 -12.113 -0.448) 12.160 12.665 ( 1.178 -5.157 1.829) 5.597 12.768 ( -1.500 -3.794 0.337) 4.094 12.896 ( 0.768 -0.567 -3.460) 3.589 13.012 ( -2.663 2.745 -12.958) 13.510 13.441 ( 3.655 -4.816 7.927) 9.969 13.677 ( -0.888 -9.254 4.033) 10.133 13.755 ( -0.165 0.092 8.933) 8.935 13.912 ( 2.681 0.834 3.506) 4.491 14.066 ( -3.338 -3.017 8.829) 9.909 14.239 ( -2.608 -11.984 -1.110) 12.314 14.481 ( 5.096 -0.365 -0.749) 5.164 14.774 ( -3.560 8.666 -5.033) 10.635 15.334 ( 1.299 5.373 0.456) 5.547 15.630 ( -4.036 0.462 1.651) 4.385 15.726 ( 10.733 -4.088 9.243) 14.742 16.639 ( -13.280 -16.144 0.359) 20.908 19.567 ( 3.670 -0.539 4.718) 6.001 19.846 ( -1.193 -1.080 5.217) 5.459 20.070 ( 3.688 -7.342 0.468) 8.229 20.199 ( -0.277 -2.806 3.603) 4.575 20.566 ( 4.851 20.045 -5.472) 21.337 20.669 ( 0.943 9.873 -5.097) 11.151 20.781 ( 0.605 11.119 -5.591) 12.460 21.237 ( -6.410 6.121 -19.009) 20.974 21.912 ( 0.253 -0.172 0.920) 0.969 21.970 ( -1.419 -0.530 1.385) 2.052 22.062 ( 1.616 -1.425 1.653) 2.715 22.163 ( -0.998 -0.076 -1.614) 1.899 23.235 ( 1.385 0.723 10.612) 10.726 23.331 ( -0.758 -0.582 8.678) 8.730 23.796 ( 5.858 -4.187 10.537) 12.762 24.440 ( -9.724 -11.128 -3.360) 15.155 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 12.101 17.901 24.758) 32.861 3.004 ( -1.826 13.858 20.424) 24.749 3.151 ( 9.788 12.789 23.053) 28.121 3.459 ( -15.749 0.558 17.719) 23.714 3.843 ( 4.675 11.251 -6.350) 13.739 3.935 ( -3.957 11.053 -5.225) 12.850 4.183 ( 2.585 4.398 -8.611) 10.009 4.234 ( -2.285 2.742 -9.337) 9.996 4.753 ( 1.026 14.606 -6.812) 16.149 4.771 ( -0.613 14.276 -6.161) 15.560 5.239 ( 5.621 0.640 41.102) 41.489 5.296 ( -0.379 -1.701 21.885) 21.954 5.680 ( 6.333 -5.205 4.693) 9.446 5.761 ( -1.859 -5.009 8.986) 10.455 5.979 ( 0.940 -0.671 -4.257) 4.411 6.078 ( -6.120 -0.099 -7.565) 9.731 6.266 ( 0.190 10.595 -11.768) 15.836 6.343 ( -8.151 10.954 -7.354) 15.508 7.052 ( 9.909 2.423 4.540) 11.166 7.247 ( -9.160 -1.943 1.360) 9.462 7.671 ( 5.382 -7.067 -3.954) 9.723 7.715 ( 0.138 -7.830 -1.344) 7.945 7.756 ( -0.240 -4.336 -4.257) 6.082 7.819 ( -3.697 -4.141 -4.001) 6.843 7.908 ( 0.250 -3.091 -2.833) 4.200 7.966 ( -5.346 -2.148 -0.949) 5.839 8.394 ( 1.308 8.498 4.363) 9.642 8.465 ( -5.579 7.098 3.209) 9.581 8.721 ( 4.741 -7.696 -1.915) 9.239 8.799 ( -3.168 -5.663 -2.167) 6.841 9.085 ( 6.826 0.442 -5.797) 8.966 9.155 ( 1.172 -3.066 -7.040) 7.768 9.557 ( 5.517 3.992 -10.014) 12.110 9.673 ( -4.615 0.994 -6.394) 7.948 9.991 ( 3.232 -1.441 -7.665) 8.443 10.065 ( -4.022 -6.188 -6.666) 9.945 10.378 ( 5.706 -1.759 2.156) 6.349 10.470 ( -2.389 -0.659 5.186) 5.747 10.542 ( -0.357 9.315 0.864) 9.361 10.584 ( -3.251 5.192 5.290) 8.094 10.872 ( 5.117 -2.578 -5.361) 7.847 10.946 ( -1.974 -0.706 -8.099) 8.366 11.156 ( 3.525 3.211 -4.566) 6.602 11.230 ( -3.772 -0.117 -6.236) 7.289 11.353 ( 2.584 2.324 -4.145) 5.410 11.430 ( -4.171 -2.802 -7.599) 9.110 11.554 ( 5.740 -0.638 -12.504) 13.773 11.660 ( -4.340 2.756 -15.745) 16.563 11.882 ( 3.690 13.705 -2.860) 14.479 11.963 ( -4.049 14.791 -4.719) 16.045 12.163 ( 6.927 -5.434 -3.030) 9.311 12.298 ( -5.882 -9.672 -3.203) 11.765 12.694 ( 1.681 -5.135 1.228) 5.541 12.730 ( -2.101 -4.369 0.645) 4.891 12.920 ( 1.681 1.000 -4.537) 4.940 12.960 ( -2.460 1.818 -7.517) 8.115 13.534 ( 5.429 -7.060 4.900) 10.165 13.630 ( -3.976 -8.724 3.637) 10.254 13.788 ( 3.642 -1.444 7.033) 8.050 13.882 ( -5.136 0.089 4.197) 6.633 14.083 ( 4.659 -5.544 6.118) 9.480 14.176 ( -4.180 -8.082 2.613) 9.467 14.582 ( 5.245 4.072 -1.828) 6.888 14.685 ( -5.243 7.323 -3.357) 9.612 15.403 ( 5.487 3.574 1.265) 6.670 15.525 ( -6.415 1.707 1.344) 6.773 15.990 ( 15.943 -7.072 7.862) 19.131 16.324 ( -17.791 -11.224 5.072) 21.638 19.662 ( 5.850 -0.291 5.747) 8.206 19.776 ( -5.378 -0.183 6.718) 8.607 20.147 ( 3.201 -7.367 1.007) 8.095 20.187 ( -1.114 -4.363 2.881) 5.345 20.663 ( 3.121 10.742 -6.462) 12.918 20.687 ( 0.298 9.330 -5.510) 10.840 20.851 ( 8.401 14.801 -12.014) 20.832 21.061 ( -11.112 10.052 -18.059) 23.466 21.921 ( 0.758 -0.246 1.685) 1.864 21.942 ( -1.309 -0.377 1.949) 2.378 22.098 ( 2.009 -1.038 0.454) 2.307 22.136 ( -1.753 -0.536 -0.707) 1.965 23.269 ( 1.994 0.292 10.285) 10.481 23.306 ( -1.689 -0.176 9.733) 9.880 23.963 ( 11.071 -5.711 7.026) 14.302 24.206 ( -13.295 -8.238 2.163) 15.789 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 0.000 16.400 26.791) 31.412 3.309 ( 0.000 32.391 24.805) 40.798 3.729 ( 0.000 23.745 14.482) 27.813 3.796 ( 0.000 1.654 5.877) 6.106 3.899 ( 0.000 -2.317 -3.569) 4.255 3.946 ( 0.000 6.004 -1.755) 6.256 4.354 ( 0.000 8.369 1.430) 8.491 4.530 ( 0.000 9.517 -9.463) 13.421 5.029 ( 0.000 13.079 5.356) 14.133 5.118 ( 0.000 15.870 -2.810) 16.117 5.275 ( 0.000 14.134 46.850) 48.935 5.376 ( 0.000 6.008 8.095) 10.082 5.540 ( 0.000 8.325 -1.295) 8.425 5.667 ( 0.000 1.102 19.892) 19.922 5.953 ( 0.000 -6.963 -14.398) 15.993 6.212 ( 0.000 -4.075 -1.136) 4.231 6.482 ( 0.000 12.543 -15.402) 19.863 6.608 ( 0.000 0.094 -3.110) 3.111 7.056 ( 0.000 11.770 -3.873) 12.391 7.175 ( 0.000 -8.630 -5.629) 10.304 7.409 ( 0.000 -6.385 -7.356) 9.741 7.621 ( 0.000 -4.493 -8.965) 10.028 7.770 ( 0.000 -13.510 0.832) 13.535 7.778 ( 0.000 -3.969 -5.062) 6.432 7.862 ( 0.000 0.764 -7.071) 7.112 8.139 ( 0.000 -1.196 0.330) 1.241 8.288 ( 0.000 -7.581 -3.407) 8.311 8.473 ( 0.000 -6.837 2.986) 7.460 8.623 ( 0.000 -4.742 -6.513) 8.056 8.859 ( 0.000 5.515 8.742) 10.337 8.894 ( 0.000 -0.783 1.013) 1.280 9.078 ( 0.000 8.684 -9.082) 12.566 9.431 ( 0.000 -9.996 -10.444) 14.457 9.798 ( 0.000 2.611 -4.113) 4.871 9.895 ( 0.000 -10.214 -11.735) 15.558 9.994 ( 0.000 5.768 -10.477) 11.960 10.207 ( 0.000 0.441 -0.296) 0.531 10.467 ( 0.000 -2.085 4.654) 5.100 10.755 ( 0.000 0.535 3.406) 3.448 10.782 ( 0.000 6.305 4.306) 7.635 10.825 ( 0.000 -1.366 -8.321) 8.433 10.973 ( 0.000 13.400 2.311) 13.597 11.167 ( 0.000 -1.747 -6.783) 7.004 11.257 ( 0.000 5.151 -6.214) 8.071 11.395 ( 0.000 -4.104 -7.787) 8.802 11.457 ( 0.000 5.859 -4.556) 7.422 11.610 ( 0.000 10.348 -11.689) 15.611 11.835 ( 0.000 6.628 -3.518) 7.503 11.914 ( 0.000 -7.750 -9.855) 12.538 11.928 ( 0.000 -2.624 -2.714) 3.775 12.248 ( 0.000 6.359 4.787) 7.959 12.317 ( 0.000 4.046 -0.518) 4.079 12.510 ( 0.000 -7.546 1.530) 7.700 12.576 ( 0.000 -8.243 3.905) 9.121 12.964 ( 0.000 4.649 -4.463) 6.445 13.091 ( 0.000 0.824 -12.315) 12.342 13.326 ( 0.000 -3.418 5.487) 6.464 13.467 ( 0.000 -10.903 2.002) 11.085 13.767 ( 0.000 -6.125 2.867) 6.763 13.819 ( 0.000 2.411 11.047) 11.307 13.962 ( 0.000 -14.824 -4.316) 15.439 14.169 ( 0.000 4.530 8.070) 9.254 14.338 ( 0.000 -5.229 5.262) 7.418 14.903 ( 0.000 -1.229 -1.275) 1.771 15.466 ( 0.000 5.991 -2.725) 6.581 15.547 ( 0.000 -1.161 9.755) 9.824 15.698 ( 0.000 2.083 -4.014) 4.523 16.366 ( 0.000 -18.701 1.803) 18.788 19.529 ( 0.000 0.577 3.244) 3.295 19.766 ( 0.000 -4.634 -1.249) 4.799 19.983 ( 0.000 -0.960 7.969) 8.027 20.135 ( 0.000 -3.524 5.118) 6.214 20.924 ( 0.000 14.735 -5.832) 15.847 21.000 ( 0.000 21.277 -11.161) 24.027 21.019 ( 0.000 12.130 -5.853) 13.468 21.433 ( 0.000 7.657 -16.499) 18.189 21.895 ( 0.000 -1.548 0.513) 1.630 21.961 ( 0.000 -1.988 -0.561) 2.066 22.003 ( 0.000 -1.830 2.547) 3.137 22.180 ( 0.000 0.372 -1.415) 1.463 23.256 ( 0.000 2.661 9.831) 10.185 23.320 ( 0.000 -0.701 8.273) 8.302 23.637 ( 0.000 -5.845 11.411) 12.820 24.217 ( 0.000 -17.437 0.154) 17.438 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 8.125 14.778 24.936) 30.103 3.350 ( 3.574 29.019 23.077) 37.248 3.662 ( -6.341 18.521 14.517) 24.372 3.749 ( -5.676 9.306 12.246) 16.394 3.873 ( 1.084 -1.086 -5.185) 5.407 4.015 ( 3.348 1.591 -5.123) 6.324 4.348 ( -0.211 8.217 0.850) 8.264 4.488 ( -4.012 9.425 -7.252) 12.551 5.036 ( 0.717 13.266 5.993) 14.575 5.119 ( -0.103 16.375 -4.818) 17.070 5.275 ( 0.817 9.946 42.443) 43.601 5.366 ( -0.572 8.148 5.354) 9.767 5.544 ( 1.484 2.412 8.076) 8.558 5.728 ( 2.790 2.645 14.979) 15.465 5.954 ( 0.786 -2.171 -7.195) 7.556 6.163 ( -3.230 0.411 -5.230) 6.160 6.439 ( -1.028 4.402 -12.847) 13.619 6.693 ( 1.121 10.994 -8.520) 13.954 6.988 ( -2.395 -1.877 0.772) 3.139 7.249 ( 4.157 1.381 -6.970) 8.232 7.418 ( 3.062 -5.953 -5.430) 8.620 7.616 ( -1.197 -5.228 -6.869) 8.715 7.698 ( -1.204 -5.443 -3.839) 6.768 7.802 ( -4.197 1.412 -2.207) 4.947 7.844 ( 0.030 -7.033 -4.304) 8.245 8.068 ( -5.727 -0.267 -1.121) 5.842 8.336 ( 4.102 -8.938 -2.601) 10.173 8.468 ( 0.687 -6.691 -1.357) 6.862 8.659 ( -0.778 -2.263 -1.109) 2.637 8.828 ( -2.276 -1.722 1.882) 3.419 8.911 ( -0.286 0.379 -3.088) 3.124 9.036 ( 1.373 0.507 -6.747) 6.904 9.538 ( 6.888 -3.583 -8.472) 11.492 9.743 ( -2.448 1.622 -5.680) 6.394 9.944 ( 1.374 -5.071 -10.145) 11.425 10.008 ( 1.915 3.789 -8.874) 9.838 10.251 ( 4.444 0.263 -0.433) 4.473 10.462 ( -0.734 -2.483 4.894) 5.536 10.732 ( -0.953 -1.002 0.727) 1.562 10.759 ( -1.690 6.819 1.623) 7.211 10.830 ( -1.552 4.404 -1.492) 4.902 10.942 ( -2.014 3.834 -3.858) 5.800 11.176 ( 1.628 3.160 -3.913) 5.286 11.296 ( 2.364 3.440 -5.156) 6.634 11.383 ( -0.730 -2.684 -7.946) 8.418 11.486 ( 2.733 4.112 -5.010) 7.034 11.534 ( -5.771 8.480 -6.223) 11.997 11.815 ( -3.649 3.605 -14.029) 14.938 11.928 ( 3.691 -7.988 -2.002) 9.025 11.995 ( 4.030 -0.826 -3.871) 5.649 12.236 ( -0.889 5.587 4.352) 7.138 12.306 ( -1.145 8.340 -1.460) 8.544 12.507 ( 0.215 -10.133 1.790) 10.293 12.586 ( 0.398 -6.033 2.440) 6.520 12.963 ( 0.064 4.000 -4.307) 5.878 13.064 ( -2.529 1.019 -10.381) 10.734 13.345 ( 1.876 -4.158 4.316) 6.280 13.466 ( -0.285 -10.422 0.979) 10.472 13.703 ( -2.671 -4.399 5.997) 7.903 13.881 ( -6.088 -11.431 -2.493) 13.189 13.922 ( 6.160 -0.495 8.382) 10.413 14.163 ( -0.949 3.083 7.000) 7.707 14.429 ( 7.838 -4.845 4.127) 10.096 14.862 ( -4.098 -1.172 -0.820) 4.341 15.459 ( 0.488 5.899 -0.701) 5.961 15.616 ( 3.673 -1.501 10.844) 11.547 15.685 ( 0.931 1.058 -6.524) 6.675 16.278 ( -8.541 -16.573 2.631) 18.829 19.567 ( 3.786 0.610 3.688) 5.320 19.803 ( 2.459 -3.421 0.649) 4.263 19.960 ( -1.420 -2.799 5.929) 6.708 20.123 ( -1.398 -4.105 4.676) 6.378 20.927 ( 0.339 14.767 -5.893) 15.903 20.977 ( -1.196 15.832 -7.658) 17.628 21.071 ( 4.140 16.427 -10.447) 19.903 21.396 ( -3.742 8.700 -16.631) 19.138 21.898 ( 0.276 -1.412 0.940) 1.719 21.947 ( -1.116 -1.499 0.613) 1.967 22.024 ( 1.936 -1.996 1.315) 3.076 22.164 ( -1.558 0.038 -1.235) 1.988 23.264 ( 0.813 2.202 9.788) 10.066 23.321 ( -0.119 -0.091 8.820) 8.822 23.679 ( 4.387 -6.744 10.296) 13.066 24.149 ( -6.671 -15.881 1.557) 17.295 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 13.953 11.704 20.406) 27.350 3.356 ( -8.173 14.629 16.675) 23.640 3.545 ( -0.213 20.748 20.412) 29.106 3.628 ( -6.017 18.428 17.203) 25.918 3.938 ( 4.969 -1.605 -6.939) 8.684 4.025 ( -2.684 -1.437 -7.528) 8.120 4.358 ( 1.377 8.517 -0.103) 8.628 4.405 ( -3.608 9.317 -2.312) 10.256 5.062 ( 2.044 13.508 5.375) 14.681 5.103 ( -1.707 15.563 1.013) 15.689 5.313 ( 2.561 6.020 22.339) 23.277 5.353 ( -1.229 7.375 8.455) 11.287 5.603 ( 4.492 -0.285 12.548) 13.331 5.701 ( -4.712 0.698 12.978) 13.824 6.020 ( 5.803 4.455 -0.073) 7.316 6.118 ( -2.908 4.243 -2.886) 5.898 6.452 ( 2.693 6.984 -12.183) 14.299 6.569 ( -9.134 10.088 -9.093) 16.367 7.072 ( 7.953 -1.211 -1.178) 8.130 7.217 ( -5.956 -1.859 -5.326) 8.203 7.551 ( 5.391 -1.330 -3.624) 6.631 7.590 ( -0.067 -2.712 -4.314) 5.096 7.712 ( 0.405 1.264 -5.052) 5.224 7.750 ( 0.381 -3.152 -3.087) 4.428 7.823 ( 0.795 -4.759 -2.014) 5.229 7.939 ( -7.527 -0.334 -3.018) 8.116 8.416 ( 3.874 -6.163 0.785) 7.321 8.489 ( -1.556 -6.506 0.180) 6.692 8.605 ( 0.913 -1.186 -2.720) 3.104 8.714 ( -7.335 -4.366 -8.187) 11.828 8.993 ( 5.911 -6.512 -4.543) 9.899 9.067 ( -0.754 -7.207 -6.025) 9.425 9.635 ( 4.115 2.902 -7.908) 9.375 9.710 ( -2.681 2.287 -7.369) 8.169 9.977 ( 3.007 0.077 -7.140) 7.748 10.025 ( -0.934 1.183 -6.698) 6.866 10.349 ( 4.788 -0.301 1.289) 4.967 10.427 ( -3.035 -2.345 4.211) 5.696 10.726 ( -0.068 6.429 1.091) 6.521 10.743 ( -0.976 5.731 1.900) 6.116 10.801 ( 2.147 0.513 -3.896) 4.478 10.887 ( -4.370 -3.627 -7.767) 9.622 11.232 ( 3.686 4.773 -2.262) 6.441 11.297 ( -2.396 5.068 -2.312) 6.064 11.392 ( 1.674 0.426 -6.270) 6.503 11.441 ( -3.487 5.044 -5.024) 7.927 11.568 ( 5.957 0.419 -7.687) 9.734 11.704 ( -7.184 -1.216 -12.104) 14.127 12.010 ( 3.735 -6.101 -2.313) 7.518 12.045 ( 0.506 -4.024 -2.686) 4.864 12.234 ( 1.109 8.237 0.979) 8.368 12.272 ( -2.255 11.032 -1.945) 11.427 12.531 ( 2.210 -8.293 0.906) 8.630 12.575 ( -1.689 -4.943 0.636) 5.262 12.972 ( 1.076 2.383 -4.548) 5.247 13.009 ( -2.642 1.280 -6.753) 7.364 13.395 ( 2.980 -6.162 1.652) 7.041 13.446 ( -1.964 -8.677 0.075) 8.897 13.691 ( 1.547 -6.206 5.006) 8.122 13.761 ( -5.360 -9.338 1.802) 10.917 14.040 ( 5.482 1.060 6.924) 8.895 14.125 ( -3.144 1.886 6.602) 7.552 14.595 ( 8.670 -3.228 2.395) 9.556 14.751 ( -7.122 -1.671 0.536) 7.335 15.498 ( 3.416 5.120 0.307) 6.162 15.578 ( -4.272 3.340 1.862) 5.733 15.834 ( 11.106 -6.744 2.643) 13.260 16.067 ( -12.275 -11.875 3.647) 17.464 19.666 ( 6.027 0.724 4.781) 7.727 19.779 ( -4.859 0.551 5.433) 7.310 19.992 ( 4.401 -6.937 1.578) 8.366 20.076 ( -3.541 -5.735 3.140) 7.435 20.938 ( 0.782 14.526 -6.146) 15.792 20.956 ( -1.033 14.494 -6.640) 15.976 21.172 ( 6.155 14.963 -13.843) 21.293 21.296 ( -6.206 11.569 -16.094) 20.770 21.907 ( 0.720 -1.166 1.524) 2.049 21.925 ( -1.097 -1.135 1.486) 2.168 22.070 ( 2.687 -1.608 0.136) 3.135 22.123 ( -2.561 -0.772 -0.706) 2.767 23.286 ( 1.324 1.473 9.769) 9.967 23.310 ( -1.007 0.789 9.557) 9.642 23.804 ( 8.311 -9.078 7.736) 14.538 23.984 ( -9.589 -12.435 4.620) 16.368 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 0.000 18.195 18.105) 25.668 3.739 ( 0.000 -7.439 1.071) 7.516 3.804 ( 0.000 12.339 21.413) 24.714 3.990 ( 0.000 12.801 11.681) 17.329 4.000 ( 0.000 0.652 4.245) 4.295 4.184 ( 0.000 17.832 9.865) 20.379 4.398 ( 0.000 -3.473 11.335) 11.855 4.619 ( 0.000 -1.200 -6.892) 6.995 5.327 ( 0.000 11.921 9.252) 15.090 5.347 ( 0.000 6.673 2.156) 7.013 5.517 ( 0.000 9.416 5.968) 11.148 5.554 ( 0.000 11.262 23.917) 26.436 5.743 ( 0.000 6.741 10.167) 12.199 5.766 ( 0.000 0.848 6.505) 6.560 5.858 ( 0.000 3.386 -0.438) 3.414 6.163 ( 0.000 -1.782 -0.671) 1.904 6.554 ( 0.000 0.291 -2.624) 2.640 6.706 ( 0.000 8.270 -12.422) 14.923 7.117 ( 0.000 -0.492 -10.290) 10.302 7.247 ( 0.000 -3.571 -10.153) 10.763 7.340 ( 0.000 4.280 -6.705) 7.955 7.491 ( 0.000 -6.739 -4.502) 8.104 7.510 ( 0.000 -5.342 -9.588) 10.976 7.662 ( 0.000 -5.323 -9.697) 11.062 8.072 ( 0.000 -10.547 -3.795) 11.209 8.077 ( 0.000 14.852 -10.918) 18.433 8.132 ( 0.000 2.560 -4.489) 5.168 8.349 ( 0.000 -1.973 1.628) 2.558 8.583 ( 0.000 -2.385 0.932) 2.561 8.814 ( 0.000 -5.125 1.422) 5.319 8.912 ( 0.000 -0.304 4.832) 4.842 9.150 ( 0.000 -16.786 -13.297) 21.415 9.241 ( 0.000 7.474 -10.824) 13.154 9.653 ( 0.000 -12.772 -12.498) 17.869 9.895 ( 0.000 6.261 -4.151) 7.512 10.100 ( 0.000 2.121 -3.764) 4.320 10.192 ( 0.000 -0.314 -6.004) 6.012 10.392 ( 0.000 -4.858 1.349) 5.042 10.746 ( 0.000 -0.659 2.238) 2.333 10.779 ( 0.000 -2.260 -6.739) 7.108 10.940 ( 0.000 9.199 4.449) 10.218 11.189 ( 0.000 0.074 2.023) 2.025 11.200 ( 0.000 3.943 -5.285) 6.594 11.307 ( 0.000 5.968 -5.310) 7.989 11.445 ( 0.000 7.124 -5.326) 8.895 11.558 ( 0.000 1.546 -3.402) 3.737 11.679 ( 0.000 -5.632 -5.751) 8.050 11.706 ( 0.000 -4.410 -6.917) 8.203 11.982 ( 0.000 3.766 -0.446) 3.793 12.005 ( 0.000 10.291 -8.861) 13.580 12.165 ( 0.000 -9.178 8.773) 12.696 12.353 ( 0.000 -4.981 5.132) 7.152 12.467 ( 0.000 9.267 0.869) 9.307 12.625 ( 0.000 5.544 4.219) 6.967 12.977 ( 0.000 -5.114 1.551) 5.344 13.027 ( 0.000 -6.942 -1.062) 7.023 13.306 ( 0.000 2.000 -4.369) 4.805 13.312 ( 0.000 -1.488 -5.898) 6.083 13.643 ( 0.000 -5.726 1.716) 5.978 13.688 ( 0.000 -10.760 -2.416) 11.028 13.889 ( 0.000 4.666 9.476) 10.562 14.186 ( 0.000 -7.671 5.951) 9.708 14.311 ( 0.000 7.867 8.077) 11.275 14.764 ( 0.000 -10.715 4.357) 11.567 15.563 ( 0.000 3.247 -3.715) 4.934 15.569 ( 0.000 2.210 -0.265) 2.226 15.757 ( 0.000 3.715 -1.719) 4.093 16.049 ( 0.000 -11.849 1.499) 11.943 19.553 ( 0.000 1.728 2.250) 2.837 19.672 ( 0.000 -4.104 -0.362) 4.120 19.985 ( 0.000 0.853 7.882) 7.928 20.066 ( 0.000 -3.002 6.112) 6.810 21.229 ( 0.000 12.806 -6.856) 14.525 21.255 ( 0.000 11.042 -7.546) 13.374 21.315 ( 0.000 8.578 -13.814) 16.261 21.575 ( 0.000 3.260 -13.949) 14.325 21.853 ( 0.000 -1.409 1.170) 1.832 21.910 ( 0.000 -2.744 -1.240) 3.011 21.997 ( 0.000 2.185 2.213) 3.110 22.171 ( 0.000 -1.746 -1.136) 2.083 23.318 ( 0.000 0.730 8.696) 8.727 23.334 ( 0.000 4.332 8.396) 9.448 23.523 ( 0.000 -3.844 10.675) 11.347 23.864 ( 0.000 -15.893 4.716) 16.578 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 4.762 16.679 16.481) 23.927 3.727 ( -2.677 0.305 4.809) 5.513 3.786 ( -1.050 1.937 10.331) 10.563 3.958 ( -1.123 15.535 17.408) 23.359 4.002 ( -1.277 -0.988 1.960) 2.540 4.142 ( -4.151 17.203 10.587) 20.622 4.390 ( -0.131 -3.455 11.641) 12.143 4.570 ( -4.458 -1.732 -2.750) 5.517 5.296 ( -1.717 7.126 8.315) 11.084 5.367 ( 1.442 8.388 5.573) 10.173 5.459 ( -5.691 6.957 13.564) 16.272 5.516 ( -2.294 6.799 8.657) 11.244 5.684 ( 0.545 9.096 9.458) 13.134 5.863 ( 2.326 8.561 10.996) 14.129 5.954 ( 7.499 0.861 2.879) 8.078 6.202 ( 2.960 1.403 -0.012) 3.276 6.513 ( 1.260 6.416 -10.241) 12.150 6.849 ( 8.702 -1.012 -7.444) 11.496 6.947 ( -11.023 3.880 -9.734) 15.209 7.230 ( -4.682 -6.468 -13.835) 15.973 7.459 ( 6.544 1.812 -1.863) 7.042 7.510 ( 7.555 0.294 -10.270) 12.753 7.576 ( 5.134 -3.013 -6.016) 8.463 7.700 ( 2.319 -4.088 -4.967) 6.839 7.991 ( -7.491 4.755 -8.555) 12.325 8.067 ( -1.903 6.927 -7.267) 10.219 8.158 ( 3.472 -3.803 -5.745) 7.715 8.351 ( 0.204 -2.565 0.954) 2.744 8.572 ( -1.000 -5.090 -1.241) 5.334 8.771 ( -9.232 -5.071 -0.628) 10.552 8.846 ( -0.777 -4.594 3.979) 6.127 8.964 ( -8.909 -9.898 -12.479) 18.250 9.473 ( 13.110 0.027 -8.187) 15.456 9.719 ( 4.901 -6.025 -10.974) 13.444 9.913 ( 2.156 3.566 -4.211) 5.925 10.079 ( -2.064 1.043 -4.102) 4.709 10.246 ( 5.440 0.207 -6.037) 8.129 10.392 ( 0.043 -4.039 1.448) 4.291 10.697 ( -3.593 -1.013 -0.515) 3.769 10.781 ( -1.302 -3.781 -5.387) 6.708 10.953 ( 1.086 9.804 3.418) 10.439 11.088 ( -5.439 6.450 0.080) 8.437 11.266 ( 3.211 -1.652 -3.986) 5.378 11.330 ( 1.528 5.274 -4.678) 7.214 11.439 ( -0.730 6.331 -3.673) 7.355 11.552 ( -0.703 -1.043 -1.784) 2.183 11.628 ( -4.014 -0.658 -5.387) 6.750 11.678 ( -2.939 -4.602 -8.385) 10.006 11.962 ( -0.990 2.797 -2.245) 3.721 12.007 ( -0.478 4.967 -3.317) 5.992 12.189 ( 2.190 -6.744 6.518) 9.631 12.339 ( -1.631 -6.129 2.036) 6.661 12.495 ( 3.236 10.145 1.295) 10.727 12.642 ( 1.305 5.989 3.192) 6.911 12.969 ( -0.869 -4.956 1.438) 5.233 13.003 ( -2.227 -6.766 -0.727) 7.160 13.312 ( 0.547 1.615 -4.334) 4.657 13.326 ( 1.041 -0.734 -5.434) 5.582 13.599 ( -2.867 -5.583 2.349) 6.701 13.647 ( -3.489 -9.233 -1.142) 9.936 13.968 ( 6.627 4.251 8.290) 11.433 14.251 ( 3.006 -0.991 4.004) 5.104 14.313 ( 2.727 0.263 9.143) 9.544 14.729 ( -3.661 -10.388 4.283) 11.818 15.562 ( 0.832 3.861 -2.136) 4.490 15.614 ( 3.576 0.714 -0.090) 3.647 15.734 ( -2.156 3.413 -2.240) 4.616 15.996 ( -5.135 -10.517 1.538) 11.805 19.592 ( 3.950 1.869 2.693) 5.133 19.719 ( 4.413 -4.109 0.153) 6.032 19.944 ( -3.879 0.745 7.148) 8.167 20.041 ( -2.624 -3.601 5.499) 7.078 21.227 ( -0.108 12.359 -7.187) 14.297 21.246 ( -0.650 11.849 -8.007) 14.315 21.343 ( 2.615 7.774 -13.150) 15.498 21.549 ( -2.495 3.561 -13.790) 14.459 21.864 ( 1.075 -0.794 1.212) 1.804 21.922 ( 0.817 -0.947 -1.104) 1.668 21.996 ( 0.283 0.320 1.895) 1.942 22.149 ( -2.170 -1.963 -1.111) 3.130 23.316 ( 0.411 2.217 8.926) 9.206 23.354 ( 1.117 4.061 8.537) 9.520 23.539 ( 1.974 -5.778 10.067) 11.774 23.823 ( -4.002 -14.793 5.298) 16.214 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( 9.913 13.027 12.796) 20.777 3.577 ( -11.191 9.420 10.046) 17.745 3.821 ( 4.366 -6.705 -2.337) 8.336 3.929 ( -5.480 -2.546 -0.240) 6.047 3.982 ( 2.585 14.235 18.267) 23.303 4.051 ( -4.350 16.919 16.496) 24.027 4.411 ( 2.332 -2.985 9.986) 10.680 4.478 ( -4.433 -2.325 5.181) 7.204 5.292 ( 1.459 6.556 8.714) 11.002 5.349 ( -4.141 7.747 7.236) 11.381 5.410 ( 2.081 2.299 10.841) 11.276 5.462 ( -2.930 2.035 9.584) 10.227 5.745 ( 4.595 13.262 8.855) 16.595 5.834 ( -3.999 11.586 9.129) 15.283 6.111 ( 7.934 2.023 4.271) 9.234 6.220 ( -2.308 2.779 2.199) 4.229 6.607 ( 6.620 9.449 -12.349) 16.900 6.746 ( -8.317 7.152 -10.741) 15.353 7.000 ( 6.239 -5.126 -8.778) 11.927 7.117 ( -6.165 -7.049 -12.840) 15.892 7.553 ( 6.368 0.820 -3.636) 7.379 7.671 ( 0.558 -2.388 -0.814) 2.584 7.683 ( 2.234 2.535 -3.656) 4.979 7.787 ( 12.847 6.949 -8.034) 16.670 7.820 ( -8.700 4.042 -6.600) 11.644 7.989 ( -6.929 9.116 -7.409) 13.639 8.271 ( 7.343 -6.301 -8.549) 12.911 8.357 ( -0.083 -2.966 -2.054) 3.609 8.527 ( -3.385 -8.372 -7.242) 11.575 8.573 ( -8.490 -5.239 -2.012) 10.177 8.835 ( -0.437 -10.491 0.273) 10.504 8.857 ( -2.301 -12.780 -5.576) 14.132 9.686 ( 8.260 3.384 -5.717) 10.600 9.772 ( -0.402 3.756 -7.239) 8.165 9.972 ( 3.143 -1.911 -5.033) 6.234 10.028 ( -2.891 -2.102 -4.925) 6.085 10.367 ( 5.080 2.313 -3.769) 6.735 10.402 ( 0.759 0.381 0.955) 1.278 10.644 ( -0.250 -5.760 -4.190) 7.128 10.714 ( -5.255 -6.810 -6.876) 11.012 10.971 ( 0.890 10.741 1.635) 10.901 11.004 ( -2.949 9.748 0.643) 10.204 11.332 ( 3.221 -0.794 -1.878) 3.812 11.362 ( 1.270 -1.093 -4.885) 5.165 11.422 ( 0.324 5.652 -1.030) 5.754 11.498 ( -5.141 -3.507 -0.320) 6.231 11.585 ( 0.141 2.632 -8.284) 8.693 11.614 ( -2.758 -1.017 -8.604) 9.093 11.961 ( 0.905 0.645 -0.001) 1.112 11.986 ( -1.403 1.071 -0.375) 1.805 12.239 ( 2.759 -5.416 2.936) 6.751 12.293 ( -2.795 -5.848 0.993) 6.558 12.582 ( 4.946 9.181 -0.387) 10.435 12.649 ( -1.336 7.744 0.520) 7.876 12.949 ( -0.770 -5.809 1.456) 6.038 12.958 ( -1.774 -6.336 1.010) 6.657 13.326 ( 0.842 0.992 -4.506) 4.690 13.337 ( -0.071 0.362 -4.997) 5.011 13.566 ( -0.344 -6.286 1.987) 6.601 13.586 ( -2.308 -7.137 0.993) 7.566 14.104 ( 6.728 5.180 7.124) 11.084 14.214 ( -4.397 6.609 6.292) 10.129 14.459 ( 9.110 -9.089 5.776) 14.105 14.622 ( -7.242 -9.744 4.551) 12.966 15.597 ( 2.735 4.204 -1.083) 5.131 15.655 ( -2.281 3.838 1.312) 4.653 15.733 ( 5.316 -3.077 -2.090) 6.488 15.868 ( -7.460 -7.282 0.979) 10.470 19.695 ( 6.222 2.150 3.854) 7.628 19.796 ( -0.748 0.482 3.406) 3.520 19.874 ( 0.772 -3.806 3.820) 5.447 19.965 ( -5.119 -4.825 3.808) 7.999 21.227 ( 0.186 12.148 -7.673) 14.369 21.234 ( -0.511 12.322 -7.935) 14.665 21.408 ( 3.850 6.294 -13.083) 15.021 21.485 ( -3.897 4.678 -13.439) 14.754 21.891 ( 1.565 0.578 1.139) 2.020 21.919 ( -1.098 1.600 0.479) 1.999 22.028 ( 2.936 -2.670 0.020) 3.968 22.093 ( -3.413 -2.485 -0.885) 4.314 23.335 ( 1.327 3.354 9.191) 9.874 23.358 ( -0.762 4.322 9.090) 10.094 23.609 ( 5.122 -9.182 8.396) 13.455 23.722 ( -5.996 -12.181 6.693) 15.136 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( 0.000 -14.016 8.844) 16.572 3.513 ( 0.000 14.016 8.844) 16.572 3.956 ( 0.000 -4.558 10.506) 11.452 3.956 ( 0.000 4.558 10.506) 11.452 4.250 ( 0.000 -9.898 18.743) 21.196 4.250 ( 0.000 9.898 18.743) 21.196 4.488 ( 0.000 -10.803 1.352) 10.887 4.488 ( 0.000 10.803 1.352) 10.887 5.424 ( 0.000 -0.862 4.644) 4.723 5.424 ( 0.000 0.862 4.644) 4.723 5.684 ( 0.000 -1.197 8.855) 8.935 5.684 ( 0.000 1.197 8.855) 8.935 5.765 ( 0.000 -1.810 7.184) 7.408 5.765 ( 0.000 1.810 7.184) 7.408 6.021 ( 0.000 -9.561 6.140) 11.363 6.021 ( 0.000 9.561 6.140) 11.363 6.734 ( 0.000 -9.297 -7.567) 11.987 6.734 ( 0.000 9.297 -7.567) 11.987 7.080 ( 0.000 -0.707 -11.311) 11.333 7.080 ( 0.000 0.707 -11.311) 11.333 7.415 ( 0.000 -1.091 -1.301) 1.698 7.415 ( 0.000 1.091 -1.301) 1.698 7.571 ( 0.000 -4.507 -16.869) 17.461 7.571 ( 0.000 4.507 -16.869) 17.461 7.992 ( 0.000 -4.553 -6.922) 8.285 7.992 ( 0.000 4.553 -6.922) 8.285 8.442 ( 0.000 -8.945 0.661) 8.970 8.442 ( 0.000 8.945 0.661) 8.970 8.604 ( 0.000 -23.188 -2.323) 23.304 8.604 ( 0.000 23.188 -2.323) 23.304 8.887 ( 0.000 -0.834 -5.659) 5.720 8.887 ( 0.000 0.834 -5.659) 5.720 9.412 ( 0.000 -9.714 -11.042) 14.706 9.412 ( 0.000 9.714 -11.042) 14.706 10.030 ( 0.000 -6.114 -3.622) 7.107 10.030 ( 0.000 6.114 -3.622) 7.107 10.275 ( 0.000 -5.988 -3.238) 6.808 10.275 ( 0.000 5.988 -3.238) 6.808 10.746 ( 0.000 -0.784 -1.297) 1.516 10.746 ( 0.000 0.784 -1.297) 1.516 11.109 ( 0.000 -5.997 1.911) 6.294 11.109 ( 0.000 5.997 1.911) 6.294 11.311 ( 0.000 -5.791 -6.007) 8.344 11.311 ( 0.000 5.791 -6.007) 8.344 11.562 ( 0.000 -2.058 -2.345) 3.120 11.562 ( 0.000 2.058 -2.345) 3.120 11.629 ( 0.000 -7.073 -10.171) 12.389 11.629 ( 0.000 7.073 -10.171) 12.389 12.043 ( 0.000 -3.212 9.846) 10.356 12.043 ( 0.000 3.212 9.846) 10.356 12.220 ( 0.000 -8.248 -2.198) 8.536 12.220 ( 0.000 8.248 -2.198) 8.536 12.643 ( 0.000 -5.785 5.638) 8.078 12.643 ( 0.000 5.785 5.638) 8.078 12.897 ( 0.000 -2.479 -0.037) 2.479 12.897 ( 0.000 2.479 -0.037) 2.479 13.344 ( 0.000 -0.828 -5.910) 5.968 13.344 ( 0.000 0.828 -5.910) 5.968 13.561 ( 0.000 -0.013 -0.390) 0.390 13.561 ( 0.000 0.013 -0.390) 0.390 14.019 ( 0.000 -7.626 8.027) 11.072 14.019 ( 0.000 7.626 8.027) 11.072 14.520 ( 0.000 -11.732 5.869) 13.118 14.520 ( 0.000 11.732 5.869) 13.118 15.597 ( 0.000 -0.012 -3.787) 3.787 15.597 ( 0.000 0.012 -3.787) 3.787 15.862 ( 0.000 -6.690 0.174) 6.692 15.862 ( 0.000 6.690 0.174) 6.692 19.600 ( 0.000 -2.871 1.100) 3.074 19.600 ( 0.000 2.871 1.100) 3.074 20.014 ( 0.000 -1.984 6.944) 7.222 20.014 ( 0.000 1.984 6.944) 7.222 21.374 ( 0.000 -2.388 -10.047) 10.327 21.374 ( 0.000 2.388 -10.047) 10.327 21.496 ( 0.000 -9.442 -10.121) 13.841 21.496 ( 0.000 9.442 -10.121) 13.841 21.861 ( 0.000 -1.649 -0.162) 1.657 21.861 ( 0.000 1.649 -0.162) 1.657 22.094 ( 0.000 -5.487 -0.425) 5.503 22.094 ( 0.000 5.487 -0.425) 5.503 23.353 ( 0.000 -2.189 8.782) 9.050 23.353 ( 0.000 2.189 8.782) 9.050 23.587 ( 0.000 -10.046 7.817) 12.728 23.587 ( 0.000 10.046 7.817) 12.728 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( 2.417 -13.216 7.392) 15.335 3.534 ( 2.417 13.216 7.392) 15.335 3.914 ( -4.665 -5.824 7.337) 10.465 3.914 ( -4.665 5.824 7.337) 10.465 4.247 ( 0.034 -10.245 19.071) 21.648 4.247 ( 0.034 10.245 19.071) 21.648 4.434 ( -4.756 -10.722 4.989) 12.747 4.434 ( -4.756 10.722 4.989) 12.747 5.385 ( -2.131 -3.136 8.050) 8.898 5.385 ( -2.131 3.136 8.050) 8.898 5.582 ( -7.531 -2.194 7.411) 10.791 5.582 ( -7.531 2.194 7.411) 10.791 5.868 ( 8.387 -7.046 7.138) 13.075 5.868 ( 8.387 7.046 7.138) 13.075 6.100 ( 4.266 -10.431 6.211) 12.868 6.100 ( 4.266 10.431 6.211) 12.868 6.730 ( 1.248 -10.283 -9.569) 14.102 6.730 ( 1.248 10.283 -9.569) 14.102 7.062 ( -3.207 -7.072 -12.999) 15.141 7.062 ( -3.207 7.072 -12.999) 15.141 7.455 ( 5.286 -1.433 -2.321) 5.949 7.455 ( 5.286 1.433 -2.321) 5.949 7.665 ( 7.559 -2.553 -11.269) 13.807 7.665 ( 7.559 2.553 -11.269) 13.807 7.989 ( 0.065 -6.741 -10.174) 12.205 7.989 ( 0.065 6.741 -10.174) 12.205 8.426 ( -2.281 -7.962 0.987) 8.341 8.426 ( -2.281 7.962 0.987) 8.341 8.548 ( -4.678 -23.125 -5.384) 24.200 8.548 ( -4.678 23.125 -5.384) 24.200 8.769 ( -8.969 -1.415 -3.165) 9.615 8.769 ( -8.969 1.415 -3.165) 9.615 9.562 ( 12.034 -7.313 -9.328) 16.891 9.562 ( 12.034 7.313 -9.328) 16.891 10.021 ( -1.455 -5.336 -3.110) 6.345 10.021 ( -1.455 5.336 -3.110) 6.345 10.302 ( 3.289 -4.284 -3.926) 6.678 10.302 ( 3.289 4.284 -3.926) 6.678 10.711 ( -3.805 -2.349 -1.726) 4.794 10.711 ( -3.805 2.349 -1.726) 4.794 11.127 ( 1.670 -5.295 0.933) 5.630 11.127 ( 1.670 5.295 0.933) 5.630 11.283 ( -2.633 -7.254 -4.671) 9.020 11.283 ( -2.633 7.254 -4.671) 9.020 11.558 ( -0.377 -4.480 -2.923) 5.363 11.558 ( -0.377 4.480 -2.923) 5.363 11.603 ( -2.284 -6.501 -8.985) 11.323 11.603 ( -2.284 6.501 -8.985) 11.323 12.048 ( 0.659 -6.975 8.124) 10.727 12.048 ( 0.659 6.975 8.124) 10.727 12.190 ( -2.714 -8.811 -0.714) 9.248 12.190 ( -2.714 8.811 -0.714) 9.248 12.671 ( 2.811 -5.551 4.078) 7.440 12.671 ( 2.811 5.551 4.078) 7.440 12.885 ( -1.524 -2.005 -0.224) 2.529 12.885 ( -1.524 2.005 -0.224) 2.529 13.360 ( 1.610 -1.214 -4.758) 5.167 13.360 ( 1.610 1.214 -4.758) 5.167 13.523 ( -3.186 -1.601 -0.323) 3.580 13.523 ( -3.186 1.601 -0.323) 3.580 14.097 ( 7.112 -7.892 7.350) 12.919 14.097 ( 7.112 7.892 7.350) 12.919 14.492 ( -3.020 -11.374 5.869) 13.151 14.492 ( -3.020 11.374 5.869) 13.151 15.614 ( 1.772 -1.114 -3.168) 3.797 15.614 ( 1.772 1.114 -3.168) 3.797 15.830 ( -3.139 -6.024 0.094) 6.793 15.830 ( -3.139 6.024 0.094) 6.793 19.644 ( 4.286 -3.076 1.542) 5.496 19.644 ( 4.286 3.076 1.542) 5.496 19.978 ( -3.617 -2.421 6.275) 7.637 19.978 ( -3.617 2.421 6.275) 7.637 21.383 ( 0.997 -3.369 -9.973) 10.574 21.383 ( 0.997 3.369 -9.973) 10.574 21.482 ( -1.342 -8.798 -10.009) 13.393 21.482 ( -1.342 8.798 -10.009) 13.393 21.885 ( 2.327 -2.191 -0.292) 3.209 21.885 ( 2.327 2.191 -0.292) 3.209 22.071 ( -2.201 -5.222 -0.480) 5.687 22.071 ( -2.201 5.222 -0.480) 5.687 23.375 ( 2.199 -3.253 8.757) 9.597 23.375 ( 2.199 3.253 8.757) 9.597 23.564 ( -2.278 -9.344 7.975) 12.494 23.564 ( -2.278 9.344 7.975) 12.494 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( 6.546 -11.190 4.500) 13.723 3.619 ( 6.546 11.190 4.500) 13.723 3.776 ( -8.736 -8.605 3.548) 12.766 3.776 ( -8.736 8.605 3.548) 12.766 4.269 ( 2.466 -10.395 17.559) 20.554 4.269 ( 2.466 10.395 17.559) 20.554 4.338 ( -4.504 -10.506 12.416) 16.877 4.338 ( -4.504 10.506 12.416) 16.877 5.381 ( 1.891 -3.282 9.939) 10.636 5.381 ( 1.891 3.282 9.939) 10.636 5.453 ( -5.363 -2.771 9.054) 10.882 5.453 ( -5.363 2.771 9.054) 10.882 6.023 ( 6.768 -10.643 5.773) 13.871 6.023 ( 6.768 10.643 5.773) 13.871 6.115 ( -2.508 -12.333 5.947) 13.920 6.115 ( -2.508 12.333 5.947) 13.920 6.813 ( 6.728 -6.511 -12.012) 15.229 6.813 ( 6.728 6.511 -12.012) 15.229 6.955 ( -7.133 -5.991 -13.659) 16.533 6.955 ( -7.133 5.991 -13.659) 16.533 7.602 ( 8.699 -3.553 -2.440) 9.708 7.602 ( 8.699 3.553 -2.440) 9.708 7.736 ( -2.989 -5.325 -2.803) 6.719 7.736 ( -2.989 5.325 -2.803) 6.719 8.067 ( 9.656 -12.474 -16.774) 23.027 8.067 ( 9.656 12.474 -16.774) 23.027 8.291 ( -11.205 -9.963 -10.798) 18.477 8.291 ( -11.205 9.963 -10.798) 18.477 8.519 ( 2.356 -15.006 0.506) 15.198 8.519 ( 2.356 15.006 0.506) 15.198 8.612 ( -6.745 -9.229 1.490) 11.528 8.612 ( -6.745 9.229 1.490) 11.528 9.790 ( 10.476 -4.713 -6.078) 12.997 9.790 ( 10.476 4.713 -6.078) 12.997 9.951 ( -5.999 -3.358 -3.484) 7.708 9.951 ( -5.999 3.358 -3.484) 7.708 10.418 ( 8.437 -1.071 -4.423) 9.586 10.418 ( 8.437 1.071 -4.423) 9.586 10.592 ( -8.291 -2.829 -3.254) 9.345 10.592 ( -8.291 2.829 -3.254) 9.345 11.169 ( 2.529 -5.530 -0.747) 6.126 11.169 ( 2.529 5.530 -0.747) 6.126 11.223 ( -3.128 -7.003 -2.341) 8.019 11.223 ( -3.128 7.003 -2.341) 8.019 11.551 ( -0.141 -5.549 -4.368) 7.063 11.551 ( -0.141 5.549 -4.368) 7.063 11.563 ( -1.468 -5.609 -6.616) 8.797 11.563 ( -1.468 5.609 -6.616) 8.797 12.075 ( 2.208 -9.092 4.921) 10.571 12.075 ( 2.208 9.092 4.921) 10.571 12.130 ( -3.198 -9.261 2.019) 10.003 12.130 ( -3.198 9.261 2.019) 10.003 12.745 ( 4.487 -4.297 1.618) 6.420 12.745 ( 4.487 4.297 1.618) 6.420 12.831 ( -3.923 -2.580 0.045) 4.696 12.831 ( -3.923 2.580 0.045) 4.696 13.402 ( 2.646 -2.275 -2.638) 4.375 13.402 ( 2.646 2.275 -2.638) 4.374 13.459 ( -3.187 -2.439 -1.047) 4.147 13.459 ( -3.187 2.439 -1.047) 4.147 14.255 ( 8.410 -8.947 6.467) 13.878 14.255 ( 8.410 8.947 6.467) 13.878 14.401 ( -6.291 -10.325 5.981) 13.489 14.401 ( -6.291 10.325 5.981) 13.489 15.668 ( 3.753 -2.595 -1.724) 4.878 15.668 ( 3.753 2.595 -1.724) 4.878 15.751 ( -4.562 -4.410 -0.446) 6.360 15.751 ( -4.562 4.410 -0.446) 6.360 19.753 ( 6.572 -3.316 2.822) 7.883 19.753 ( 6.572 3.316 2.822) 7.883 19.881 ( -6.165 -3.089 4.633) 8.308 19.881 ( -6.165 3.089 4.633) 8.308 21.411 ( 1.777 -5.271 -9.858) 11.319 21.411 ( 1.777 5.271 -9.858) 11.319 21.448 ( -1.964 -7.231 -9.863) 12.386 21.448 ( -1.964 7.231 -9.863) 12.386 21.944 ( 3.559 -3.306 -0.485) 4.882 21.944 ( 3.559 3.306 -0.485) 4.882 22.014 ( -3.501 -4.440 -0.546) 5.681 22.014 ( -3.501 4.440 -0.546) 5.681 23.433 ( 3.567 -5.327 8.622) 10.744 23.433 ( 3.567 5.327 8.622) 10.744 23.505 ( -3.618 -7.553 8.323) 11.807 23.505 ( -3.618 7.553 8.323) 11.807 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 0.000 0.000 24.293) 24.293 3.131 ( 0.000 0.000 29.406) 29.406 3.302 ( 0.000 0.000 3.537) 3.537 3.513 ( 0.000 0.000 2.928) 2.928 3.720 ( 0.000 0.000 -4.908) 4.908 3.820 ( 0.000 0.000 -8.549) 8.549 4.129 ( 0.000 0.000 0.775) 0.775 4.217 ( 0.000 0.000 7.486) 7.486 4.335 ( 0.000 0.000 -8.340) 8.340 4.423 ( 0.000 0.000 -10.456) 10.456 5.113 ( 0.000 0.000 -9.590) 9.590 5.606 ( 0.000 0.000 -10.715) 10.715 5.675 ( 0.000 0.000 -2.478) 2.478 5.922 ( 0.000 0.000 -3.179) 3.179 6.100 ( 0.000 0.000 -8.259) 8.259 6.216 ( 0.000 0.000 23.010) 23.010 6.285 ( 0.000 0.000 22.380) 22.380 6.365 ( 0.000 0.000 -0.358) 0.358 6.844 ( 0.000 0.000 8.111) 8.111 7.301 ( 0.000 0.000 -13.143) 13.143 7.774 ( 0.000 0.000 3.440) 3.440 7.834 ( 0.000 0.000 -0.711) 0.711 7.874 ( 0.000 0.000 -0.881) 0.881 7.912 ( 0.000 0.000 3.658) 3.658 8.002 ( 0.000 0.000 7.822) 7.822 8.319 ( 0.000 0.000 -0.531) 0.531 8.445 ( 0.000 0.000 8.296) 8.296 8.596 ( 0.000 0.000 7.349) 7.349 8.629 ( 0.000 0.000 0.736) 0.736 8.724 ( 0.000 0.000 -5.103) 5.103 8.902 ( 0.000 0.000 -10.735) 10.735 9.041 ( 0.000 0.000 -13.422) 13.422 9.079 ( 0.000 0.000 13.800) 13.800 9.687 ( 0.000 0.000 -11.880) 11.880 9.795 ( 0.000 0.000 0.909) 0.909 10.068 ( 0.000 0.000 -13.544) 13.544 10.282 ( 0.000 0.000 1.130) 1.130 10.433 ( 0.000 0.000 -2.626) 2.626 10.640 ( 0.000 0.000 -1.751) 1.751 10.648 ( 0.000 0.000 8.155) 8.155 10.671 ( 0.000 0.000 5.614) 5.614 10.769 ( 0.000 0.000 -9.964) 9.964 10.893 ( 0.000 0.000 -2.411) 2.411 11.059 ( 0.000 0.000 -8.234) 8.234 11.162 ( 0.000 0.000 -12.690) 12.690 11.172 ( 0.000 0.000 -10.948) 10.948 11.525 ( 0.000 0.000 -6.557) 6.557 11.559 ( 0.000 0.000 -6.998) 6.998 11.629 ( 0.000 0.000 0.464) 0.464 11.682 ( 0.000 0.000 -3.080) 3.080 12.109 ( 0.000 0.000 5.651) 5.651 12.438 ( 0.000 0.000 -7.946) 7.946 12.746 ( 0.000 0.000 2.075) 2.075 12.770 ( 0.000 0.000 0.413) 0.413 12.836 ( 0.000 0.000 -1.781) 1.781 12.912 ( 0.000 0.000 -2.466) 2.466 13.639 ( 0.000 0.000 7.339) 7.339 13.827 ( 0.000 0.000 -1.628) 1.628 13.909 ( 0.000 0.000 9.541) 9.541 14.023 ( 0.000 0.000 6.976) 6.976 14.349 ( 0.000 0.000 -4.981) 4.981 14.369 ( 0.000 0.000 12.715) 12.715 14.447 ( 0.000 0.000 -7.856) 7.856 14.533 ( 0.000 0.000 2.369) 2.369 15.216 ( 0.000 0.000 -3.098) 3.098 15.414 ( 0.000 0.000 -12.087) 12.087 16.131 ( 0.000 0.000 21.043) 21.043 16.810 ( 0.000 0.000 -11.948) 11.948 19.651 ( 0.000 0.000 5.523) 5.523 19.861 ( 0.000 0.000 -3.639) 3.639 20.225 ( 0.000 0.000 10.987) 10.987 20.269 ( 0.000 0.000 3.641) 3.641 20.365 ( 0.000 0.000 4.733) 4.733 20.446 ( 0.000 0.000 -4.896) 4.896 20.568 ( 0.000 0.000 -4.896) 4.896 20.853 ( 0.000 0.000 -18.662) 18.662 21.948 ( 0.000 0.000 3.002) 3.002 22.022 ( 0.000 0.000 1.947) 1.947 22.086 ( 0.000 0.000 -0.141) 0.141 22.108 ( 0.000 0.000 -3.918) 3.918 23.417 ( 0.000 0.000 8.090) 8.090 23.477 ( 0.000 0.000 4.610) 4.610 24.012 ( 0.000 0.000 11.043) 11.043 24.468 ( 0.000 0.000 -11.111) 11.111 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 5.201 0.000 22.383) 22.979 3.262 ( 12.612 0.000 27.120) 29.909 3.270 ( -3.294 0.000 5.731) 6.610 3.540 ( 2.632 0.000 1.991) 3.300 3.703 ( -1.621 0.000 -4.034) 4.347 3.870 ( 4.423 0.000 -8.463) 9.550 4.098 ( -4.117 0.000 4.463) 6.072 4.137 ( -6.565 0.000 4.955) 8.225 4.350 ( 1.433 0.000 -8.456) 8.577 4.423 ( -0.142 0.000 -10.213) 10.214 5.160 ( 4.932 0.000 -10.316) 11.434 5.590 ( -3.534 0.000 -20.427) 20.730 5.695 ( 3.505 0.000 8.664) 9.346 5.898 ( -1.821 0.000 -4.562) 4.912 6.038 ( -5.360 0.000 -8.674) 10.196 6.103 ( -8.651 0.000 2.376) 8.971 6.313 ( 3.400 0.000 36.376) 36.534 6.450 ( 4.427 0.000 7.078) 8.348 6.948 ( 9.423 0.000 8.006) 12.365 7.320 ( 1.268 0.000 -9.168) 9.255 7.764 ( -0.621 0.000 2.516) 2.591 7.807 ( -4.804 0.000 4.937) 6.888 7.827 ( -3.187 0.000 1.772) 3.646 7.874 ( -0.445 0.000 -2.013) 2.062 7.978 ( -2.651 0.000 3.987) 4.788 8.219 ( -8.345 0.000 -0.594) 8.367 8.374 ( -5.494 0.000 7.492) 9.291 8.507 ( -6.342 0.000 2.674) 6.883 8.715 ( 7.015 0.000 1.215) 7.120 8.825 ( 6.722 0.000 -2.294) 7.103 9.025 ( 10.706 0.000 -11.564) 15.759 9.039 ( -0.463 0.000 -11.361) 11.370 9.046 ( -2.969 0.000 10.635) 11.042 9.664 ( -6.120 0.000 -13.541) 14.860 9.797 ( 4.442 0.000 1.385) 4.653 10.093 ( 0.524 0.000 -10.905) 10.918 10.296 ( 1.379 0.000 0.407) 1.438 10.418 ( -1.508 0.000 -3.211) 3.548 10.638 ( 0.128 0.000 9.171) 9.172 10.681 ( 4.295 0.000 -2.330) 4.886 10.692 ( 0.783 0.000 6.612) 6.659 10.789 ( 1.835 0.000 -9.046) 9.230 10.918 ( 2.538 0.000 -3.890) 4.645 11.088 ( 2.829 0.000 -8.067) 8.549 11.136 ( -2.563 0.000 -11.699) 11.977 11.191 ( 1.616 0.000 -12.879) 12.980 11.495 ( -3.133 0.000 -5.391) 6.235 11.512 ( -3.955 0.000 -6.365) 7.494 11.633 ( 0.454 0.000 -0.023) 0.455 11.678 ( -0.443 0.000 -2.804) 2.839 12.129 ( 2.055 0.000 4.237) 4.709 12.402 ( -3.820 0.000 -7.730) 8.623 12.748 ( 0.231 0.000 1.857) 1.871 12.768 ( -0.227 0.000 0.511) 0.559 12.847 ( 1.284 0.000 -0.790) 1.508 12.919 ( 0.434 0.000 -2.357) 2.397 13.664 ( 2.600 0.000 6.415) 6.922 13.831 ( -0.004 0.000 -1.670) 1.670 13.919 ( 1.044 0.000 9.289) 9.348 14.012 ( -1.138 0.000 7.205) 7.295 14.340 ( -2.007 0.000 11.616) 11.788 14.359 ( 0.989 0.000 -5.265) 5.357 14.438 ( -0.869 0.000 -7.586) 7.636 14.502 ( -3.412 0.000 2.480) 4.218 15.248 ( 3.542 0.000 -2.108) 4.122 15.443 ( 1.785 0.000 -10.744) 10.891 16.157 ( 3.134 0.000 18.268) 18.535 16.716 ( -9.080 0.000 -8.580) 12.493 19.695 ( 4.408 0.000 6.195) 7.604 19.927 ( 4.833 0.000 -2.231) 5.323 20.217 ( 0.696 0.000 6.483) 6.520 20.274 ( 0.557 0.000 3.586) 3.629 20.346 ( -1.548 0.000 3.758) 4.065 20.467 ( 1.797 0.000 -4.028) 4.411 20.560 ( -0.789 0.000 -4.738) 4.803 20.781 ( -7.273 0.000 -17.999) 19.413 21.954 ( 0.656 0.000 3.017) 3.087 22.014 ( -0.825 0.000 2.239) 2.386 22.091 ( 0.406 0.000 -0.587) 0.714 22.108 ( -0.012 0.000 -3.547) 3.547 23.430 ( 1.349 0.000 8.088) 8.200 23.486 ( 0.609 0.000 5.318) 5.352 24.034 ( 2.433 0.000 8.863) 9.190 24.407 ( -5.969 0.000 -8.934) 10.744 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 7.603 0.000 17.332) 18.926 3.174 ( -6.471 0.000 11.001) 12.763 3.565 ( 17.074 0.000 20.830) 26.933 3.602 ( 3.354 0.000 0.168) 3.358 3.661 ( -2.649 0.000 -2.001) 3.320 3.869 ( -12.126 0.000 6.981) 13.992 3.992 ( 2.533 0.000 2.827) 3.796 4.060 ( -3.305 0.000 -3.331) 4.692 4.383 ( 1.804 0.000 -8.884) 9.065 4.412 ( -1.057 0.000 -9.571) 9.629 5.299 ( 8.864 0.000 -13.096) 15.814 5.472 ( -8.107 0.000 -16.568) 18.445 5.792 ( 6.067 0.000 4.508) 7.558 5.881 ( 0.701 0.000 -7.274) 7.307 5.932 ( -8.371 0.000 0.385) 8.380 5.934 ( -4.544 0.000 -8.866) 9.963 6.398 ( 4.876 0.000 31.010) 31.391 6.475 ( -2.042 0.000 20.569) 20.670 7.152 ( 10.319 0.000 6.644) 12.273 7.302 ( -4.271 0.000 0.426) 4.292 7.747 ( 0.305 0.000 5.047) 5.056 7.774 ( 2.234 0.000 -0.897) 2.407 7.785 ( -2.385 0.000 2.944) 3.789 7.838 ( -3.301 0.000 -2.891) 4.388 7.948 ( 1.300 0.000 0.756) 1.504 8.049 ( -8.185 0.000 -0.393) 8.195 8.312 ( 0.347 0.000 4.294) 4.308 8.382 ( -5.904 0.000 1.613) 6.120 8.853 ( 6.738 0.000 2.941) 7.352 8.941 ( 4.961 0.000 -4.008) 6.377 8.968 ( -5.006 0.000 6.088) 7.882 9.013 ( -2.465 0.000 -7.456) 7.853 9.260 ( 12.554 0.000 -13.273) 18.269 9.490 ( -10.814 0.000 -13.316) 17.154 9.924 ( 7.222 0.000 -1.603) 7.397 10.048 ( -4.959 0.000 -5.762) 7.602 10.332 ( 2.242 0.000 -1.241) 2.562 10.378 ( -2.408 0.000 -2.813) 3.703 10.658 ( 1.668 0.000 9.517) 9.662 10.688 ( -1.096 0.000 8.284) 8.356 10.781 ( 4.589 0.000 -4.553) 6.464 10.820 ( 0.521 0.000 -6.712) 6.733 10.986 ( 4.182 0.000 -6.649) 7.855 11.069 ( -4.136 0.000 -9.367) 10.239 11.156 ( 3.791 0.000 -10.777) 11.424 11.210 ( -0.720 0.000 -14.993) 15.010 11.425 ( -1.970 0.000 -2.513) 3.193 11.445 ( -2.978 0.000 -5.079) 5.887 11.647 ( 0.888 0.000 -1.071) 1.391 11.665 ( -0.872 0.000 -2.085) 2.260 12.192 ( 4.544 0.000 0.217) 4.549 12.300 ( -6.091 0.000 -4.833) 7.776 12.754 ( 0.384 0.000 1.345) 1.399 12.762 ( -0.381 0.000 0.831) 0.914 12.883 ( 2.111 0.000 -0.533) 2.177 12.916 ( -0.995 0.000 -1.494) 1.795 13.734 ( 4.239 0.000 3.754) 5.663 13.807 ( -2.737 0.000 0.161) 2.742 13.947 ( 1.735 0.000 8.630) 8.803 13.982 ( -1.793 0.000 7.829) 8.032 14.334 ( 1.998 0.000 8.141) 8.383 14.385 ( 1.539 0.000 -5.995) 6.190 14.411 ( -5.197 0.000 4.093) 6.615 14.415 ( -1.465 0.000 -6.879) 7.033 15.345 ( 5.793 0.000 -2.148) 6.178 15.437 ( -2.856 0.000 -5.910) 6.564 16.276 ( 9.261 0.000 9.479) 13.252 16.496 ( -12.459 0.000 -0.633) 12.475 19.809 ( 6.920 0.000 7.497) 10.203 19.933 ( -4.622 0.000 6.707) 8.145 20.290 ( 1.085 0.000 3.454) 3.621 20.316 ( -1.508 0.000 3.380) 3.701 20.339 ( 11.558 0.000 -8.839) 14.550 20.504 ( 1.903 0.000 -3.925) 4.362 20.538 ( -1.469 0.000 -4.337) 4.579 20.585 ( -12.303 0.000 -15.491) 19.782 21.971 ( 1.077 0.000 2.961) 3.150 21.994 ( -1.164 0.000 2.695) 2.936 22.100 ( 0.442 0.000 -1.545) 1.607 22.106 ( -0.214 0.000 -2.633) 2.642 23.463 ( 1.740 0.000 7.913) 8.102 23.488 ( -0.615 0.000 6.923) 6.950 24.116 ( 6.147 0.000 3.139) 6.902 24.261 ( -8.239 0.000 -3.533) 8.965 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 0.000 24.855 21.379) 32.784 3.154 ( 0.000 3.550 25.901) 26.143 3.514 ( 0.000 18.484 3.957) 18.903 3.695 ( 0.000 14.586 4.728) 15.333 3.727 ( 0.000 0.640 -7.582) 7.609 3.919 ( 0.000 7.661 0.069) 7.662 4.173 ( 0.000 5.129 0.775) 5.187 4.220 ( 0.000 3.203 2.088) 3.824 4.572 ( 0.000 19.449 -6.163) 20.402 4.626 ( 0.000 18.120 -8.164) 19.874 5.178 ( 0.000 6.480 -9.555) 11.545 5.571 ( 0.000 -2.622 0.271) 2.636 5.647 ( 0.000 -1.330 -9.879) 9.968 6.019 ( 0.000 7.119 -5.024) 8.713 6.055 ( 0.000 -2.357 7.948) 8.290 6.215 ( 0.000 -4.964 21.246) 21.818 6.307 ( 0.000 -3.366 15.350) 15.715 6.321 ( 0.000 6.253 -10.531) 12.247 6.914 ( 0.000 5.685 6.481) 8.622 7.263 ( 0.000 -4.512 -9.838) 10.823 7.597 ( 0.000 -15.684 1.067) 15.720 7.620 ( 0.000 -11.019 -0.428) 11.028 7.850 ( 0.000 -1.058 0.503) 1.171 7.911 ( 0.000 -6.151 8.268) 10.306 7.977 ( 0.000 -3.917 -1.075) 4.062 8.276 ( 0.000 -10.789 3.413) 11.316 8.324 ( 0.000 -1.212 -1.889) 2.244 8.595 ( 0.000 -11.909 -10.769) 16.056 8.625 ( 0.000 4.292 4.186) 5.996 8.832 ( 0.000 3.979 -3.527) 5.317 8.836 ( 0.000 8.779 5.672) 10.452 9.060 ( 0.000 -0.454 13.795) 13.803 9.243 ( 0.000 7.025 -13.369) 15.102 9.679 ( 0.000 0.679 -11.678) 11.697 9.740 ( 0.000 -3.031 -1.252) 3.279 9.899 ( 0.000 -11.679 -11.375) 16.303 10.282 ( 0.000 -1.204 4.068) 4.242 10.589 ( 0.000 -0.133 5.715) 5.717 10.604 ( 0.000 7.721 -10.245) 12.828 10.674 ( 0.000 6.389 0.374) 6.400 10.793 ( 0.000 6.531 5.374) 8.458 10.794 ( 0.000 1.523 0.313) 1.555 10.993 ( 0.000 7.919 -4.637) 9.177 11.025 ( 0.000 -2.744 -10.680) 11.027 11.198 ( 0.000 2.713 -11.492) 11.808 11.204 ( 0.000 4.009 -9.973) 10.749 11.398 ( 0.000 -5.585 -2.861) 6.275 11.497 ( 0.000 3.275 -7.195) 7.905 11.802 ( 0.000 9.967 -0.178) 9.969 11.906 ( 0.000 9.176 -4.198) 10.090 12.127 ( 0.000 4.218 5.157) 6.662 12.361 ( 0.000 -6.600 -2.646) 7.110 12.703 ( 0.000 -5.113 2.589) 5.731 12.781 ( 0.000 -0.782 -0.526) 0.942 12.817 ( 0.000 0.224 -5.908) 5.913 12.826 ( 0.000 -5.853 -3.120) 6.633 13.581 ( 0.000 -4.655 7.687) 8.986 13.745 ( 0.000 -7.854 0.764) 7.891 13.930 ( 0.000 0.567 5.496) 5.525 13.942 ( 0.000 -6.596 2.719) 7.134 14.245 ( 0.000 -11.089 1.108) 11.144 14.287 ( 0.000 -1.429 3.391) 3.680 14.471 ( 0.000 4.426 8.009) 9.150 14.710 ( 0.000 8.993 -3.484) 9.644 15.267 ( 0.000 4.422 -4.058) 6.001 15.435 ( 0.000 1.854 -11.481) 11.629 16.051 ( 0.000 -7.223 19.514) 20.808 16.656 ( 0.000 -13.530 -9.336) 16.438 19.624 ( 0.000 -1.786 4.865) 5.183 19.811 ( 0.000 -4.049 -3.627) 5.436 20.194 ( 0.000 -1.950 9.812) 10.004 20.280 ( 0.000 -1.142 3.755) 3.925 20.513 ( 0.000 14.430 1.688) 14.529 20.570 ( 0.000 10.293 -3.067) 10.740 20.673 ( 0.000 9.376 -5.227) 10.734 20.921 ( 0.000 6.375 -17.713) 18.826 21.949 ( 0.000 -0.029 3.089) 3.089 22.011 ( 0.000 -1.361 1.584) 2.088 22.068 ( 0.000 -1.551 -0.023) 1.552 22.112 ( 0.000 0.589 -3.734) 3.780 23.418 ( 0.000 0.197 7.727) 7.730 23.470 ( 0.000 -0.594 4.692) 4.730 23.967 ( 0.000 -4.215 10.644) 11.448 24.381 ( 0.000 -8.021 -9.244) 12.238 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 3.581 17.637 21.704) 28.195 3.275 ( 8.926 7.537 21.065) 24.088 3.493 ( -1.900 18.782 6.178) 19.863 3.688 ( 0.335 5.840 -1.508) 6.041 3.761 ( 1.751 9.496 -0.105) 9.656 3.942 ( 2.478 4.865 0.591) 5.492 4.137 ( -4.834 5.009 3.341) 7.721 4.160 ( -4.181 5.220 -1.007) 6.763 4.575 ( 0.726 19.200 -6.522) 20.291 4.635 ( 0.443 18.798 -7.806) 20.359 5.212 ( 3.596 5.026 -8.569) 10.565 5.573 ( -3.346 -1.336 -17.589) 17.954 5.652 ( 3.690 -1.959 9.945) 10.787 5.968 ( -4.457 3.868 -4.267) 7.283 6.039 ( -2.380 1.644 -1.874) 3.446 6.126 ( -5.879 0.464 3.728) 6.977 6.306 ( 1.104 -1.477 26.291) 26.356 6.396 ( 4.414 -1.420 1.020) 4.748 7.023 ( 9.146 5.695 7.693) 13.239 7.304 ( 3.022 -2.745 -5.259) 6.658 7.574 ( -0.783 -13.861 1.283) 13.943 7.632 ( 0.750 -11.496 -1.069) 11.570 7.803 ( -4.281 -2.788 2.124) 5.533 7.846 ( -4.139 -8.058 2.681) 9.448 7.934 ( -4.165 -0.963 -0.071) 4.276 8.114 ( -9.458 -5.745 0.202) 11.068 8.446 ( 4.540 -0.715 2.245) 5.115 8.596 ( 2.353 -9.227 -2.793) 9.924 8.635 ( -2.962 6.977 1.604) 7.747 8.813 ( 1.586 -1.332 -2.919) 3.580 8.928 ( 3.693 3.852 0.613) 5.371 8.990 ( -1.338 -4.023 4.762) 6.376 9.290 ( 2.292 9.404 -9.235) 13.378 9.641 ( -6.211 -1.717 -11.573) 13.246 9.751 ( 4.813 -2.138 -2.782) 5.956 9.938 ( 1.942 -9.008 -8.683) 12.662 10.323 ( 3.840 -0.763 3.230) 5.075 10.564 ( -3.662 5.640 -4.711) 8.211 10.612 ( 2.449 3.611 6.536) 7.858 10.678 ( 0.710 1.400 -3.515) 3.850 10.768 ( -0.619 2.436 -0.060) 2.514 10.814 ( 0.079 4.228 3.511) 5.496 11.012 ( 2.016 5.415 -4.469) 7.305 11.065 ( 2.549 0.768 -10.964) 11.283 11.189 ( -0.176 3.967 -9.688) 10.471 11.220 ( 1.532 2.875 -11.128) 11.595 11.368 ( -2.764 -5.026 -3.315) 6.625 11.462 ( -3.404 2.051 -7.690) 8.656 11.822 ( 1.879 11.763 0.251) 11.915 11.916 ( 0.743 12.738 -3.736) 13.295 12.124 ( 0.075 1.135 4.742) 4.877 12.334 ( -2.911 -5.913 -3.058) 7.266 12.708 ( 0.486 -5.320 2.386) 5.850 12.763 ( -1.373 -2.537 -0.421) 2.916 12.818 ( 0.621 -0.525 -3.591) 3.682 12.846 ( 0.983 -4.243 -4.314) 6.130 13.597 ( 1.655 -5.385 7.019) 9.000 13.738 ( -0.879 -8.373 1.218) 8.507 13.903 ( -1.183 -4.399 4.880) 6.676 13.962 ( 0.291 -2.885 1.542) 3.284 14.220 ( -1.415 -8.538 4.779) 9.886 14.284 ( -0.481 -1.758 3.610) 4.044 14.502 ( 2.505 5.410 4.284) 7.341 14.684 ( -2.596 9.047 -3.325) 9.982 15.292 ( 2.939 3.982 -2.971) 5.773 15.464 ( 1.896 1.913 -10.380) 10.724 16.069 ( 2.437 -7.868 17.084) 18.966 16.572 ( -8.132 -12.669 -6.700) 16.478 19.671 ( 4.608 -1.673 5.410) 7.300 19.871 ( 5.009 -4.369 -2.813) 7.217 20.158 ( -2.868 -3.034 7.862) 8.901 20.273 ( -0.932 -1.985 3.303) 3.965 20.523 ( 1.096 14.576 0.709) 14.635 20.578 ( 0.696 9.922 -3.305) 10.481 20.669 ( -0.312 9.763 -5.322) 11.124 20.868 ( -5.150 7.856 -16.615) 19.086 21.955 ( 0.581 -0.099 3.083) 3.139 22.004 ( -0.620 -1.130 1.988) 2.369 22.074 ( 0.524 -1.471 -0.523) 1.647 22.109 ( -0.308 0.291 -3.426) 3.452 23.430 ( 1.221 0.067 7.749) 7.845 23.479 ( 0.637 -0.554 5.326) 5.392 23.987 ( 2.222 -4.396 8.648) 9.952 24.326 ( -5.383 -7.471 -7.355) 11.785 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 6.674 17.642 17.530) 25.750 3.366 ( -3.271 14.085 13.618) 19.863 3.524 ( 7.750 6.339 9.178) 13.582 3.662 ( -4.568 1.696 -1.267) 5.035 3.819 ( 5.473 10.694 7.338) 14.077 3.952 ( -5.945 0.232 9.865) 11.520 4.042 ( 0.936 11.480 -4.268) 12.283 4.097 ( -3.164 6.248 -3.159) 7.682 4.603 ( 1.829 19.315 -6.623) 20.501 4.632 ( -0.911 19.356 -7.046) 20.619 5.318 ( 7.015 2.068 -9.093) 11.669 5.461 ( -7.177 -0.538 -12.402) 14.339 5.753 ( 5.678 -1.039 5.233) 7.792 5.865 ( -5.798 -0.346 -0.635) 5.843 5.996 ( -0.721 5.489 -7.084) 8.991 6.028 ( -3.804 5.169 -6.609) 9.212 6.365 ( 4.221 -2.849 24.066) 24.599 6.430 ( -1.379 -2.637 14.472) 14.774 7.195 ( 7.851 2.163 8.996) 12.134 7.312 ( -3.286 -0.560 4.433) 5.547 7.611 ( 3.892 -9.702 -1.682) 10.588 7.651 ( 0.744 -11.042 -3.869) 11.724 7.735 ( -1.164 -4.363 3.094) 5.474 7.783 ( -3.221 -5.597 0.956) 6.528 7.869 ( -0.435 -2.433 -1.402) 2.842 7.947 ( -7.249 -4.641 -1.245) 8.697 8.482 ( 1.024 7.906 3.774) 8.821 8.538 ( -4.931 9.051 2.609) 10.632 8.685 ( 5.207 -11.303 -0.077) 12.445 8.778 ( -4.217 -10.212 -0.246) 11.051 8.994 ( 4.282 -0.658 -2.142) 4.833 9.039 ( 0.956 -1.607 -3.913) 4.337 9.348 ( 5.333 6.712 -9.947) 13.131 9.493 ( -8.425 0.893 -11.541) 14.317 9.863 ( 5.461 -3.050 -3.969) 7.408 9.938 ( -2.037 -5.516 -5.876) 8.312 10.405 ( 4.138 1.585 1.437) 4.658 10.484 ( -4.188 4.552 -0.693) 6.224 10.681 ( 3.800 4.293 9.058) 10.721 10.707 ( 1.663 0.755 -0.275) 1.847 10.755 ( -0.427 -0.744 -3.697) 3.796 10.791 ( -2.478 -1.118 -1.641) 3.175 11.056 ( 1.989 4.870 -5.564) 7.657 11.081 ( -0.640 3.649 -8.316) 9.104 11.214 ( 2.451 3.866 -9.165) 10.245 11.253 ( 0.215 3.746 -12.417) 12.971 11.322 ( -0.035 -4.437 -4.355) 6.217 11.382 ( -4.390 -0.365 -8.414) 9.498 11.868 ( 2.704 15.388 0.574) 15.635 11.913 ( -1.493 17.342 -1.268) 17.453 12.155 ( 3.603 -3.695 1.565) 5.393 12.250 ( -5.347 -4.653 -2.054) 7.380 12.721 ( 0.859 -5.145 1.762) 5.506 12.739 ( -1.031 -4.079 0.840) 4.291 12.837 ( 1.116 -1.789 -3.389) 3.991 12.853 ( -0.345 -3.417 -3.905) 5.200 13.644 ( 3.039 -7.164 5.200) 9.359 13.703 ( -2.693 -8.601 2.922) 9.475 13.901 ( 1.158 -5.478 3.361) 6.530 13.939 ( -2.213 -4.924 1.245) 5.540 14.224 ( 1.712 -4.046 6.451) 7.805 14.263 ( -1.774 -2.289 4.902) 5.693 14.555 ( 3.013 7.754 -0.121) 8.320 14.620 ( -3.608 9.008 -2.449) 10.008 15.378 ( 5.246 2.962 -2.479) 6.515 15.462 ( -2.593 2.289 -5.777) 6.733 16.172 ( 8.362 -9.288 8.897) 15.342 16.373 ( -11.384 -10.909 -0.155) 15.768 19.789 ( 7.026 -1.492 6.502) 9.689 19.907 ( -3.425 -2.054 4.911) 6.330 20.153 ( 3.691 -6.890 0.069) 7.817 20.234 ( -3.257 -5.062 1.107) 6.120 20.558 ( 2.374 12.804 -2.521) 13.264 20.588 ( -0.167 9.471 -3.763) 10.192 20.672 ( 1.261 11.757 -6.583) 13.533 20.748 ( -6.235 11.791 -12.370) 18.191 21.970 ( 0.919 -0.322 2.971) 3.126 21.988 ( -0.941 -0.695 2.607) 2.858 22.087 ( 0.743 -1.084 -1.536) 2.021 22.100 ( -0.609 -0.399 -2.602) 2.702 23.460 ( 1.588 -0.197 7.639) 7.805 23.482 ( -0.519 -0.429 6.769) 6.803 24.062 ( 5.616 -5.056 3.419) 8.295 24.194 ( -7.484 -6.229 -2.594) 10.077 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 0.000 8.974 19.844) 21.779 3.687 ( 0.000 13.568 2.836) 13.861 3.794 ( 0.000 16.977 7.594) 18.598 3.922 ( 0.000 12.470 0.863) 12.500 4.007 ( 0.000 19.383 11.137) 22.354 4.046 ( 0.000 4.880 10.661) 11.725 4.372 ( 0.000 9.888 -4.277) 10.774 4.390 ( 0.000 15.151 1.160) 15.196 5.032 ( 0.000 21.484 -2.511) 21.631 5.069 ( 0.000 21.493 -0.898) 21.512 5.393 ( 0.000 14.604 -9.690) 17.526 5.539 ( 0.000 -0.253 -1.482) 1.503 5.651 ( 0.000 2.849 -2.833) 4.018 6.024 ( 0.000 -0.876 13.777) 13.805 6.047 ( 0.000 -3.711 11.845) 12.413 6.184 ( 0.000 -6.172 0.532) 6.195 6.263 ( 0.000 9.892 -2.110) 10.115 6.504 ( 0.000 8.747 -6.200) 10.721 7.038 ( 0.000 5.661 1.889) 5.968 7.080 ( 0.000 -11.866 -2.009) 12.035 7.299 ( 0.000 -12.056 -3.289) 12.497 7.424 ( 0.000 -7.169 -8.576) 11.178 7.716 ( 0.000 -10.175 -2.412) 10.457 7.742 ( 0.000 -16.981 -2.815) 17.212 7.867 ( 0.000 2.244 10.695) 10.928 8.116 ( 0.000 -4.612 -1.215) 4.770 8.193 ( 0.000 -9.905 -5.278) 11.224 8.506 ( 0.000 2.630 -6.459) 6.974 8.597 ( 0.000 -7.152 7.784) 10.571 8.869 ( 0.000 -2.675 -4.114) 4.907 8.945 ( 0.000 3.568 0.399) 3.590 9.108 ( 0.000 3.046 11.195) 11.602 9.217 ( 0.000 -8.040 -10.776) 13.445 9.641 ( 0.000 -9.244 -13.323) 16.216 9.735 ( 0.000 2.976 -1.980) 3.574 9.809 ( 0.000 7.234 -6.766) 9.905 10.251 ( 0.000 -2.355 4.171) 4.790 10.484 ( 0.000 -5.588 -4.058) 6.906 10.710 ( 0.000 -0.783 -0.908) 1.199 10.806 ( 0.000 0.141 1.613) 1.619 10.838 ( 0.000 4.681 -0.147) 4.684 10.988 ( 0.000 14.610 -2.810) 14.878 11.046 ( 0.000 4.857 -2.495) 5.460 11.137 ( 0.000 4.187 -4.309) 6.008 11.237 ( 0.000 2.454 -6.842) 7.269 11.307 ( 0.000 5.542 -9.190) 10.732 11.468 ( 0.000 11.384 -0.966) 11.425 11.670 ( 0.000 10.510 -7.462) 12.889 11.858 ( 0.000 -6.317 -0.213) 6.321 11.904 ( 0.000 -6.008 -0.826) 6.065 12.306 ( 0.000 4.730 1.512) 4.966 12.315 ( 0.000 7.001 0.297) 7.007 12.580 ( 0.000 -5.630 4.737) 7.358 12.633 ( 0.000 -4.495 2.089) 4.956 12.853 ( 0.000 3.915 -5.867) 7.053 12.862 ( 0.000 4.176 -8.659) 9.614 13.457 ( 0.000 -7.533 6.145) 9.722 13.519 ( 0.000 -13.253 2.636) 13.512 13.794 ( 0.000 -7.281 -0.168) 7.283 13.847 ( 0.000 -9.422 -3.819) 10.167 14.096 ( 0.000 -1.851 11.423) 11.572 14.284 ( 0.000 0.711 2.323) 2.429 14.525 ( 0.000 0.839 12.314) 12.343 14.845 ( 0.000 3.159 -3.633) 4.814 15.372 ( 0.000 5.127 -5.151) 7.268 15.482 ( 0.000 2.378 -9.498) 9.791 15.876 ( 0.000 -8.247 14.526) 16.703 16.326 ( 0.000 -16.572 -5.606) 17.495 19.598 ( 0.000 -0.622 3.467) 3.522 19.725 ( 0.000 -3.787 -2.558) 4.570 20.159 ( 0.000 -1.316 8.461) 8.563 20.236 ( 0.000 -2.634 4.312) 5.052 20.825 ( 0.000 13.550 -3.232) 13.930 20.849 ( 0.000 15.500 -4.190) 16.057 20.907 ( 0.000 12.073 -4.534) 12.896 21.103 ( 0.000 10.647 -14.887) 18.303 21.932 ( 0.000 -1.862 2.507) 3.123 21.964 ( 0.000 -2.912 0.580) 2.969 22.039 ( 0.000 -0.782 1.194) 1.427 22.132 ( 0.000 1.020 -3.021) 3.189 23.431 ( 0.000 1.234 6.636) 6.750 23.458 ( 0.000 -0.367 4.943) 4.957 23.849 ( 0.000 -6.702 9.606) 11.713 24.162 ( 0.000 -12.337 -5.044) 13.328 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( 4.152 7.451 17.627) 19.583 3.667 ( -1.997 9.189 1.121) 9.470 3.821 ( 2.546 17.830 8.411) 19.878 3.933 ( 0.215 13.381 1.839) 13.508 3.980 ( -2.446 13.028 9.521) 16.320 4.006 ( -3.988 6.436 11.129) 13.461 4.348 ( -1.133 12.673 -1.603) 12.824 4.391 ( -0.435 15.297 -0.654) 15.317 5.040 ( 1.354 22.652 -1.998) 22.780 5.091 ( 1.402 21.685 -0.495) 21.736 5.373 ( -0.246 10.764 -4.488) 11.664 5.554 ( -2.251 0.260 -11.044) 11.274 5.676 ( 4.850 5.051 9.060) 11.451 6.015 ( -3.424 0.264 5.472) 6.460 6.062 ( 0.958 1.092 3.157) 3.475 6.139 ( -2.409 -0.020 7.161) 7.556 6.245 ( 0.873 -0.297 0.307) 0.972 6.501 ( -1.254 9.068 -8.438) 12.450 7.083 ( 2.162 -6.752 7.643) 10.425 7.164 ( 4.837 -5.995 -0.297) 7.708 7.320 ( 5.452 -7.872 -4.520) 10.589 7.442 ( 2.305 -6.228 -8.935) 11.133 7.671 ( -3.131 -7.808 1.664) 8.575 7.710 ( -1.712 -7.020 -3.504) 8.030 7.868 ( -2.019 -3.064 3.913) 5.364 8.021 ( -7.188 -3.460 -2.493) 8.358 8.270 ( 5.674 -11.432 -2.082) 12.931 8.484 ( -0.120 -1.079 -0.404) 1.158 8.636 ( 0.401 -7.951 2.165) 8.250 8.851 ( -6.076 0.277 -0.864) 6.143 8.926 ( 0.532 -4.179 -4.104) 5.881 8.949 ( -5.160 0.336 4.044) 6.565 9.386 ( 8.088 0.374 -5.353) 9.706 9.602 ( -2.596 -2.306 -8.943) 9.594 9.771 ( 2.779 3.007 -5.119) 6.555 9.852 ( 3.783 2.338 -6.334) 7.739 10.283 ( 3.364 -2.970 3.239) 5.534 10.489 ( 0.405 -5.545 -3.386) 6.510 10.670 ( -3.886 -1.476 -1.577) 4.446 10.778 ( -3.014 -2.448 -2.690) 4.723 10.819 ( -0.161 8.560 1.948) 8.780 10.982 ( -2.732 10.163 5.898) 12.064 11.076 ( 4.294 5.871 -6.823) 9.973 11.175 ( 3.358 4.484 -5.012) 7.517 11.244 ( 0.366 3.199 -5.979) 6.791 11.307 ( 0.157 5.089 -9.029) 10.365 11.429 ( -3.341 9.162 -3.548) 10.377 11.593 ( -6.531 8.008 -7.731) 12.906 11.909 ( 4.992 -6.467 0.670) 8.197 11.967 ( 4.487 -4.123 -0.626) 6.125 12.289 ( -1.669 6.855 1.230) 7.162 12.300 ( -1.545 7.680 0.442) 7.846 12.571 ( -0.560 -6.648 4.410) 7.998 12.626 ( -0.944 -3.749 1.834) 4.279 12.854 ( 0.077 3.906 -5.966) 7.131 12.862 ( -0.044 3.523 -8.006) 8.747 13.458 ( 0.189 -8.191 5.663) 9.960 13.512 ( -0.777 -12.722 2.686) 13.025 13.773 ( -1.484 -7.006 0.836) 7.210 13.825 ( -2.206 -10.075 -2.994) 10.740 14.130 ( 3.275 -0.252 10.460) 10.964 14.287 ( -0.117 1.494 3.629) 3.926 14.564 ( 3.694 0.384 9.041) 9.774 14.817 ( -2.800 2.962 -2.992) 5.056 15.391 ( 2.192 5.014 -4.152) 6.869 15.514 ( 2.398 2.674 -9.314) 9.983 15.876 ( 0.725 -9.271 13.272) 16.206 16.262 ( -6.290 -15.609 -4.138) 17.329 19.645 ( 4.712 -0.598 3.940) 6.171 19.781 ( 5.228 -3.882 -2.236) 6.885 20.109 ( -4.609 -1.723 7.682) 9.123 20.211 ( -2.814 -3.442 3.398) 5.595 20.827 ( 0.201 13.500 -3.339) 13.909 20.847 ( -0.240 14.280 -4.221) 14.893 20.920 ( 1.293 13.296 -5.182) 14.328 21.078 ( -2.455 11.602 -13.760) 18.164 21.938 ( 0.490 -1.780 2.493) 3.103 21.965 ( -0.031 -2.471 1.004) 2.668 22.044 ( 0.590 -1.029 0.605) 1.331 22.121 ( -1.054 0.608 -2.747) 3.005 23.439 ( 0.880 0.931 6.764) 6.885 23.470 ( 0.877 -0.038 5.340) 5.412 23.863 ( 1.606 -7.091 8.086) 10.874 24.121 ( -4.044 -11.611 -3.771) 12.861 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 7.874 4.706 11.849) 14.984 3.597 ( -6.015 5.247 4.170) 9.005 3.873 ( 2.440 7.188 2.616) 8.029 3.911 ( -1.185 18.020 10.081) 20.682 3.927 ( -2.608 2.225 5.044) 6.098 3.937 ( -2.227 16.982 10.583) 20.133 4.349 ( 1.070 15.093 -0.289) 15.133 4.374 ( -1.223 16.107 -0.387) 16.158 5.079 ( 2.122 23.614 -0.788) 23.723 5.104 ( -0.263 22.900 0.088) 22.901 5.404 ( 3.138 6.937 -1.880) 7.843 5.480 ( -4.322 3.036 -4.019) 6.637 5.787 ( 5.628 4.339 6.595) 9.695 5.899 ( -6.365 3.419 4.293) 8.405 6.081 ( 1.500 3.301 -4.017) 5.412 6.115 ( -1.637 2.557 -3.181) 4.398 6.316 ( 5.997 -0.475 5.311) 8.025 6.438 ( -5.409 3.775 -1.449) 6.753 7.115 ( 2.669 -10.882 5.033) 12.283 7.178 ( -2.473 -12.524 1.719) 12.881 7.476 ( 5.458 -0.269 -3.174) 6.320 7.503 ( 2.046 -3.714 -4.486) 6.173 7.663 ( 3.630 -0.142 0.922) 3.748 7.706 ( 1.492 -2.956 -1.374) 3.585 7.802 ( -3.053 -3.907 -0.556) 4.990 7.868 ( -7.791 -3.161 -3.552) 9.127 8.393 ( 6.935 -12.032 -0.021) 13.888 8.511 ( -0.017 -6.983 3.798) 7.949 8.567 ( -2.974 -7.155 -2.739) 8.218 8.675 ( -9.204 -2.592 1.539) 9.685 8.934 ( 2.476 -2.877 -1.567) 4.107 8.964 ( 0.305 -4.852 -3.429) 5.949 9.482 ( 3.242 5.963 -6.484) 9.387 9.548 ( -3.318 3.997 -8.045) 9.576 9.851 ( 4.580 1.615 -4.722) 6.773 9.900 ( 0.190 1.318 -5.672) 5.826 10.375 ( 5.638 -3.044 1.586) 6.601 10.473 ( -3.349 -3.264 0.398) 4.694 10.622 ( 1.068 -4.736 -6.265) 7.926 10.696 ( -4.988 -5.127 -6.918) 9.951 10.846 ( 2.687 8.229 6.554) 10.858 10.912 ( -3.868 7.944 7.927) 11.871 11.167 ( 4.202 7.030 -4.478) 9.334 11.218 ( -0.663 7.607 -5.540) 9.433 11.266 ( 2.943 1.928 -5.117) 6.210 11.313 ( -0.574 3.649 -5.952) 7.005 11.377 ( -0.022 6.796 -9.322) 11.536 11.459 ( -6.625 5.561 -9.706) 13.000 12.011 ( 4.325 -7.675 1.514) 8.939 12.036 ( 1.866 -7.026 0.835) 7.317 12.254 ( -1.327 11.707 0.517) 11.793 12.262 ( -1.920 10.990 0.148) 11.158 12.571 ( 0.731 -6.445 3.308) 7.281 12.597 ( -1.732 -4.317 2.068) 5.090 12.857 ( 0.189 3.367 -6.176) 7.037 12.860 ( -0.158 2.982 -6.916) 7.533 13.469 ( 0.900 -9.709 4.434) 10.711 13.491 ( -1.266 -11.414 3.204) 11.922 13.757 ( 0.112 -7.580 0.960) 7.642 13.779 ( -2.059 -9.095 -0.587) 9.343 14.204 ( 3.923 1.335 8.309) 9.285 14.266 ( -2.193 1.983 6.137) 6.812 14.651 ( 4.885 0.931 3.216) 5.922 14.744 ( -4.503 2.199 -0.894) 5.090 15.457 ( 4.183 4.327 -3.103) 6.772 15.525 ( -1.951 3.617 -5.524) 6.885 15.941 ( 6.475 -11.508 6.725) 14.818 16.104 ( -9.203 -13.514 -0.134) 16.351 19.766 ( 7.123 -0.480 4.888) 8.653 19.866 ( -0.064 -1.627 2.112) 2.667 20.035 ( 0.276 -4.590 3.089) 5.539 20.125 ( -5.781 -5.106 1.200) 7.806 20.833 ( 0.341 13.255 -3.639) 13.750 20.840 ( -0.401 13.174 -4.043) 13.786 20.958 ( 2.651 14.344 -7.399) 16.356 21.018 ( -3.357 13.479 -10.779) 17.582 21.949 ( 0.650 -1.665 2.346) 2.950 21.960 ( -0.429 -1.821 1.849) 2.630 22.064 ( 1.398 -1.075 -0.738) 1.912 22.094 ( -1.615 -0.329 -1.955) 2.557 23.462 ( 1.253 0.603 6.891) 7.030 23.478 ( -0.245 0.334 6.340) 6.354 23.920 ( 4.287 -8.235 4.058) 10.133 24.021 ( -5.716 -9.932 -0.428) 11.467 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( 0.000 9.506 12.221) 15.482 3.725 ( 0.000 -1.290 -1.766) 2.187 4.056 ( 0.000 3.730 3.100) 4.850 4.069 ( 0.000 2.924 7.455) 8.008 4.353 ( 0.000 20.647 15.991) 26.115 4.406 ( 0.000 15.105 10.167) 18.208 4.550 ( 0.000 6.264 2.710) 6.825 4.652 ( 0.000 7.104 9.652) 11.984 5.348 ( 0.000 9.070 0.065) 9.071 5.423 ( 0.000 9.789 0.898) 9.830 5.563 ( 0.000 5.874 -0.651) 5.910 5.730 ( 0.000 13.065 -3.364) 13.491 5.770 ( 0.000 6.555 4.001) 7.680 5.995 ( 0.000 -2.716 7.772) 8.233 6.027 ( 0.000 2.457 6.241) 6.708 6.096 ( 0.000 -1.046 -4.555) 4.673 6.500 ( 0.000 11.548 -5.601) 12.834 6.593 ( 0.000 -0.504 3.195) 3.234 6.898 ( 0.000 -4.325 -8.434) 9.478 7.067 ( 0.000 -8.101 -6.157) 10.175 7.164 ( 0.000 1.860 -8.937) 9.128 7.304 ( 0.000 -4.492 -12.494) 13.277 7.403 ( 0.000 -11.046 -2.010) 11.227 7.509 ( 0.000 -8.765 -5.296) 10.241 7.981 ( 0.000 1.605 -0.708) 1.755 7.996 ( 0.000 -7.835 -3.083) 8.420 8.103 ( 0.000 10.254 6.576) 12.181 8.440 ( 0.000 -4.843 6.053) 7.752 8.583 ( 0.000 0.269 -2.051) 2.068 8.746 ( 0.000 -4.832 -9.598) 10.746 8.985 ( 0.000 -13.561 -2.222) 13.742 8.996 ( 0.000 -0.192 0.653) 0.681 9.133 ( 0.000 0.982 2.170) 2.382 9.430 ( 0.000 -10.970 -9.498) 14.510 9.848 ( 0.000 7.195 -0.370) 7.205 9.985 ( 0.000 8.619 -6.295) 10.673 10.162 ( 0.000 -5.645 2.364) 6.120 10.354 ( 0.000 -7.154 -4.398) 8.398 10.696 ( 0.000 -0.072 -1.939) 1.940 10.753 ( 0.000 -2.412 -2.168) 3.243 11.016 ( 0.000 9.862 2.103) 10.083 11.108 ( 0.000 -0.480 -5.572) 5.593 11.127 ( 0.000 1.639 -0.211) 1.653 11.298 ( 0.000 9.402 -3.348) 9.980 11.337 ( 0.000 4.050 -1.714) 4.398 11.417 ( 0.000 4.297 -8.056) 9.131 11.593 ( 0.000 -5.723 -1.634) 5.952 11.607 ( 0.000 -8.176 -1.696) 8.350 11.884 ( 0.000 10.883 -2.977) 11.283 11.968 ( 0.000 11.698 -2.572) 11.978 12.293 ( 0.000 -4.139 4.127) 5.845 12.373 ( 0.000 -4.540 -1.003) 4.649 12.552 ( 0.000 6.750 6.208) 9.171 12.702 ( 0.000 6.073 2.772) 6.676 12.957 ( 0.000 3.726 -3.551) 5.147 12.969 ( 0.000 3.473 -3.263) 4.765 13.244 ( 0.000 -10.325 -0.025) 10.325 13.286 ( 0.000 -6.842 0.821) 6.891 13.633 ( 0.000 -9.403 -2.631) 9.764 13.644 ( 0.000 -7.129 -1.288) 7.244 14.118 ( 0.000 3.094 11.130) 11.552 14.288 ( 0.000 -1.484 3.055) 3.396 14.538 ( 0.000 2.041 12.700) 12.863 14.815 ( 0.000 -5.918 0.072) 5.918 15.462 ( 0.000 3.358 -4.998) 6.021 15.516 ( 0.000 0.617 -5.408) 5.443 15.773 ( 0.000 -0.742 4.572) 4.632 16.022 ( 0.000 -12.029 -3.918) 12.651 19.598 ( 0.000 0.591 2.124) 2.204 19.660 ( 0.000 -2.487 -0.867) 2.633 20.141 ( 0.000 -0.381 6.851) 6.861 20.183 ( 0.000 -2.313 4.766) 5.297 21.099 ( 0.000 12.095 -5.719) 13.379 21.102 ( 0.000 8.772 -7.059) 11.259 21.128 ( 0.000 8.208 -3.621) 8.971 21.302 ( 0.000 6.145 -11.814) 13.317 21.886 ( 0.000 -1.815 1.542) 2.382 21.904 ( 0.000 -2.523 0.235) 2.533 22.044 ( 0.000 1.303 2.287) 2.632 22.138 ( 0.000 -0.836 -2.074) 2.236 23.463 ( 0.000 1.045 5.300) 5.402 23.474 ( 0.000 2.729 4.937) 5.641 23.716 ( 0.000 -5.234 8.120) 9.661 23.903 ( 0.000 -11.877 -0.586) 11.891 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( 1.316 8.332 10.445) 13.426 3.710 ( -1.064 -0.768 -2.332) 2.676 3.975 ( -8.262 1.351 5.583) 10.063 4.008 ( -5.301 1.177 1.680) 5.684 4.352 ( 0.102 18.285 14.763) 23.501 4.393 ( -1.025 16.998 13.079) 21.472 4.549 ( 0.402 6.061 4.381) 7.490 4.654 ( -0.325 7.112 8.257) 10.902 5.377 ( 2.739 9.817 2.458) 10.484 5.461 ( 3.201 12.133 3.210) 12.952 5.535 ( -1.599 5.043 1.800) 5.589 5.670 ( -3.310 7.672 2.352) 8.681 5.845 ( 4.418 9.528 4.872) 11.578 6.027 ( 1.551 2.207 3.552) 4.460 6.080 ( 3.854 -0.785 3.915) 5.550 6.135 ( 3.481 2.285 -5.017) 6.520 6.344 ( -5.738 8.375 -4.270) 11.013 6.682 ( -1.130 6.437 -12.024) 13.686 6.835 ( -2.736 -11.777 1.361) 12.167 6.987 ( -5.695 -10.669 -8.010) 14.506 7.293 ( 9.898 -1.429 -8.470) 13.105 7.372 ( 8.077 3.034 -7.238) 11.262 7.501 ( 7.879 -8.337 -3.012) 11.861 7.565 ( 5.398 -5.673 -6.249) 10.018 7.876 ( -8.263 1.074 -0.471) 8.346 7.956 ( -4.783 -3.076 -4.164) 7.048 8.141 ( 2.246 2.907 5.233) 6.394 8.417 ( -3.430 -7.375 3.163) 8.726 8.519 ( -5.361 -0.215 -2.742) 6.025 8.704 ( -4.075 -9.310 -7.981) 12.922 8.847 ( -5.817 -5.586 2.954) 8.589 8.940 ( -4.093 -2.249 2.240) 5.180 9.364 ( 14.841 -0.873 -2.138) 15.020 9.525 ( 7.535 -5.350 -8.037) 12.247 9.857 ( 0.981 5.929 -1.075) 6.105 9.976 ( -1.133 6.795 -5.574) 8.861 10.197 ( 3.916 -4.501 1.164) 6.079 10.362 ( 1.040 -6.771 -3.945) 7.905 10.649 ( -4.654 -0.187 -1.927) 5.040 10.716 ( -4.239 -2.851 -3.397) 6.135 11.007 ( -0.491 9.606 1.296) 9.705 11.074 ( -2.377 1.885 -1.302) 3.301 11.178 ( 4.196 -0.800 -1.571) 4.551 11.303 ( 0.376 8.733 -0.828) 8.780 11.350 ( 1.096 2.920 -4.607) 5.563 11.409 ( -0.690 4.041 -8.239) 9.203 11.531 ( -4.344 -1.394 -3.223) 5.585 11.580 ( -4.194 -8.996 -2.098) 10.145 11.896 ( 1.661 9.944 -1.549) 10.200 11.978 ( 0.583 7.798 -2.148) 8.110 12.295 ( 0.197 -4.063 3.690) 5.492 12.361 ( -1.246 -5.003 -0.024) 5.155 12.558 ( 0.956 7.378 4.864) 8.889 12.697 ( -0.836 6.358 1.751) 6.648 12.950 ( -1.291 2.143 -3.124) 4.002 12.954 ( -0.455 2.476 -2.695) 3.688 13.265 ( 1.634 -7.334 -0.195) 7.516 13.287 ( 0.146 -5.716 0.782) 5.771 13.615 ( -1.478 -9.288 -1.396) 9.508 13.624 ( -1.629 -7.397 -0.731) 7.609 14.167 ( 4.534 3.572 9.952) 11.505 14.325 ( 2.807 0.893 2.472) 3.845 14.541 ( 0.716 -0.757 11.843) 11.889 14.783 ( -3.212 -5.995 0.502) 6.820 15.483 ( 2.173 3.581 -4.210) 5.939 15.554 ( 3.564 0.560 -5.981) 6.985 15.752 ( -1.904 -1.573 4.802) 5.400 15.977 ( -4.480 -11.199 -3.276) 12.499 19.647 ( 4.846 0.695 2.539) 5.514 19.715 ( 5.303 -2.588 -0.636) 5.935 20.087 ( -5.195 -0.360 6.340) 8.205 20.143 ( -4.122 -2.906 3.924) 6.390 21.091 ( -0.493 9.297 -5.835) 10.988 21.097 ( -0.193 11.879 -5.545) 13.111 21.154 ( 2.078 7.947 -5.266) 9.757 21.287 ( -1.460 6.406 -11.025) 12.835 21.897 ( 1.042 -1.384 1.545) 2.322 21.917 ( 1.242 -1.704 0.237) 2.122 22.036 ( -0.634 0.369 1.965) 2.098 22.119 ( -1.866 -1.198 -1.860) 2.894 23.469 ( 0.852 1.887 5.732) 6.095 23.494 ( 1.442 2.558 4.758) 5.591 23.717 ( 0.346 -6.192 7.338) 9.608 23.876 ( -2.722 -11.329 0.080) 11.651 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 5.387 6.007 6.267) 10.217 3.679 ( -4.167 3.447 -0.698) 5.453 3.826 ( -3.027 -3.455 3.458) 5.749 3.885 ( -6.360 -2.964 -0.625) 7.044 4.359 ( 0.626 17.115 14.369) 22.356 4.374 ( -0.863 17.876 14.973) 23.334 4.577 ( 2.348 6.091 6.005) 8.870 4.627 ( -2.362 6.536 6.959) 9.835 5.438 ( 3.084 10.845 6.757) 13.144 5.483 ( -1.334 12.482 8.225) 15.007 5.555 ( 3.236 5.477 3.458) 7.240 5.614 ( -2.754 6.815 4.777) 8.766 5.919 ( 3.486 8.290 6.089) 10.861 5.995 ( -4.159 6.462 5.581) 9.498 6.144 ( 3.301 0.688 -3.064) 4.556 6.182 ( 0.245 5.286 -5.797) 7.849 6.377 ( 7.150 6.424 -8.617) 12.909 6.547 ( -9.482 5.484 -9.899) 14.764 6.839 ( 1.852 -14.013 -5.342) 15.110 6.894 ( -3.795 -13.220 -7.527) 15.679 7.464 ( 8.743 1.436 -3.633) 9.576 7.576 ( 5.317 8.263 -7.733) 12.504 7.641 ( 6.235 -2.838 -1.191) 6.954 7.688 ( 4.054 -0.806 -2.903) 5.051 7.722 ( -2.861 -1.839 -1.170) 3.597 7.830 ( -7.551 -0.441 -6.725) 10.122 8.169 ( 1.790 -9.997 -0.109) 10.157 8.277 ( -8.570 -14.001 -5.025) 17.168 8.483 ( 1.568 0.854 3.214) 3.677 8.572 ( -7.336 -2.579 -0.486) 7.791 8.823 ( 1.753 -8.165 1.724) 8.527 8.872 ( -3.030 -6.178 1.504) 7.044 9.602 ( 8.090 5.751 -2.618) 10.265 9.643 ( 3.225 5.119 -4.989) 7.842 9.886 ( 2.014 0.798 -3.029) 3.724 9.937 ( -2.800 0.755 -4.018) 4.956 10.317 ( 7.763 -1.712 -0.780) 7.988 10.400 ( 2.010 -3.496 -1.613) 4.343 10.535 ( -5.151 -3.095 -4.491) 7.502 10.591 ( -7.644 -4.604 -5.342) 10.400 11.008 ( 0.679 7.701 1.839) 7.947 11.032 ( -1.764 4.609 1.810) 5.256 11.273 ( 4.795 -2.643 -2.187) 5.896 11.311 ( 0.275 3.496 -1.518) 3.821 11.367 ( 0.984 4.777 -4.017) 6.318 11.404 ( 0.172 3.527 -7.584) 8.366 11.452 ( -3.541 0.041 -4.501) 5.727 11.473 ( -5.079 -4.094 -3.544) 7.424 11.941 ( 2.463 5.781 -0.657) 6.318 11.976 ( -0.967 4.766 -1.143) 4.996 12.304 ( 0.853 -4.249 2.747) 5.131 12.330 ( -1.723 -4.872 1.585) 5.405 12.598 ( 3.025 7.517 2.006) 8.347 12.660 ( -2.928 6.949 0.557) 7.561 12.935 ( -0.092 0.528 -1.813) 1.891 12.942 ( -0.656 1.466 -2.096) 2.641 13.288 ( 0.585 -4.147 -0.071) 4.189 13.291 ( 0.179 -3.751 0.403) 3.777 13.593 ( -0.551 -8.907 0.005) 8.924 13.597 ( -0.926 -8.193 -0.091) 8.245 14.268 ( 5.175 4.885 7.990) 10.700 14.342 ( -1.832 5.446 5.107) 7.687 14.591 ( 4.665 -6.109 6.628) 10.150 14.697 ( -5.457 -6.428 2.213) 8.717 15.544 ( 3.858 3.910 -3.120) 6.317 15.604 ( -0.731 3.689 -5.278) 6.481 15.746 ( 3.435 -6.666 3.012) 8.081 15.862 ( -6.866 -9.261 -1.483) 11.624 19.772 ( 7.487 1.054 3.516) 8.338 19.839 ( 5.499 -1.275 0.770) 5.697 19.966 ( -5.405 -1.856 4.614) 7.345 20.030 ( -7.069 -3.978 2.159) 8.394 21.088 ( 0.086 10.258 -5.366) 11.578 21.092 ( -0.301 11.180 -5.377) 12.410 21.200 ( 2.553 7.579 -6.981) 10.615 21.249 ( -2.384 7.012 -9.104) 11.736 21.922 ( 1.329 -0.206 1.521) 2.030 21.937 ( 0.183 0.229 0.884) 0.932 22.034 ( 0.943 -1.971 0.473) 2.236 22.073 ( -2.583 -2.053 -1.147) 3.493 23.493 ( 1.389 2.645 5.982) 6.687 23.510 ( -0.062 3.088 5.426) 6.244 23.742 ( 2.498 -8.358 4.779) 9.947 23.808 ( -3.881 -10.036 1.937) 10.933 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( 0.000 -5.806 4.752) 7.503 3.653 ( 0.000 5.806 4.752) 7.503 4.097 ( 0.000 -0.173 4.151) 4.155 4.097 ( 0.000 0.173 4.151) 4.155 4.583 ( 0.000 -1.628 6.680) 6.875 4.583 ( 0.000 1.628 6.680) 6.875 4.657 ( 0.000 -5.984 18.086) 19.050 4.657 ( 0.000 5.984 18.086) 19.050 5.453 ( 0.000 -2.177 0.199) 2.186 5.453 ( 0.000 2.177 0.199) 2.186 5.774 ( 0.000 -7.346 3.449) 8.116 5.774 ( 0.000 7.346 3.449) 8.116 5.897 ( 0.000 -6.024 3.081) 6.767 5.897 ( 0.000 6.024 3.081) 6.767 6.096 ( 0.000 -2.318 -2.206) 3.200 6.096 ( 0.000 2.318 -2.206) 3.200 6.636 ( 0.000 -2.048 -0.195) 2.058 6.636 ( 0.000 2.048 -0.195) 2.058 6.857 ( 0.000 -3.835 -9.686) 10.418 6.857 ( 0.000 3.835 -9.686) 10.418 7.229 ( 0.000 -3.431 -12.822) 13.273 7.229 ( 0.000 3.431 -12.822) 13.273 7.370 ( 0.000 -4.421 -4.485) 6.298 7.370 ( 0.000 4.421 -4.485) 6.298 7.925 ( 0.000 -1.574 -1.160) 1.955 7.925 ( 0.000 1.574 -1.160) 1.955 8.445 ( 0.000 -9.421 -0.478) 9.433 8.445 ( 0.000 9.421 -0.478) 9.433 8.528 ( 0.000 -19.103 -1.535) 19.164 8.528 ( 0.000 19.103 -1.535) 19.164 8.904 ( 0.000 -6.392 3.599) 7.336 8.904 ( 0.000 6.392 3.599) 7.336 9.226 ( 0.000 -7.709 -6.967) 10.391 9.226 ( 0.000 7.709 -6.967) 10.391 10.004 ( 0.000 -7.092 0.955) 7.156 10.004 ( 0.000 7.092 0.955) 7.156 10.188 ( 0.000 -8.410 -4.554) 9.564 10.188 ( 0.000 8.410 -4.554) 9.564 10.711 ( 0.000 -1.504 -2.464) 2.887 10.711 ( 0.000 1.504 -2.464) 2.887 11.110 ( 0.000 -0.914 -0.873) 1.263 11.110 ( 0.000 0.914 -0.873) 1.263 11.240 ( 0.000 -10.057 -3.560) 10.669 11.240 ( 0.000 10.057 -3.560) 10.669 11.442 ( 0.000 -2.785 -4.807) 5.555 11.442 ( 0.000 2.785 -4.807) 5.555 11.522 ( 0.000 -0.687 -1.899) 2.020 11.522 ( 0.000 0.687 -1.899) 2.020 12.122 ( 0.000 -3.862 -0.996) 3.988 12.122 ( 0.000 3.862 -0.996) 3.988 12.228 ( 0.000 -1.647 2.674) 3.140 12.228 ( 0.000 1.647 2.674) 3.140 12.749 ( 0.000 -7.607 4.462) 8.819 12.749 ( 0.000 7.607 4.462) 8.819 12.913 ( 0.000 -3.044 1.422) 3.360 12.913 ( 0.000 3.044 1.422) 3.360 13.233 ( 0.000 -2.817 -4.638) 5.426 13.233 ( 0.000 2.817 -4.638) 5.426 13.530 ( 0.000 -1.564 -1.981) 2.525 13.530 ( 0.000 1.564 -1.981) 2.525 14.209 ( 0.000 -5.142 8.649) 10.062 14.209 ( 0.000 5.142 8.649) 10.062 14.651 ( 0.000 -8.190 5.881) 10.083 14.651 ( 0.000 8.190 5.881) 10.083 15.509 ( 0.000 -1.221 -4.100) 4.278 15.509 ( 0.000 1.221 -4.100) 4.278 15.835 ( 0.000 -6.152 -2.143) 6.514 15.835 ( 0.000 6.152 -2.143) 6.514 19.620 ( 0.000 -1.489 0.751) 1.667 19.620 ( 0.000 1.489 0.751) 1.667 20.147 ( 0.000 -1.025 5.530) 5.624 20.147 ( 0.000 1.025 5.530) 5.624 21.206 ( 0.000 -0.826 -5.631) 5.692 21.206 ( 0.000 0.826 -5.631) 5.692 21.299 ( 0.000 -5.983 -8.381) 10.298 21.299 ( 0.000 5.983 -8.381) 10.298 21.873 ( 0.000 -0.414 0.777) 0.881 21.873 ( 0.000 0.414 0.777) 0.881 22.094 ( 0.000 -3.019 0.163) 3.023 22.094 ( 0.000 3.019 0.163) 3.023 23.497 ( 0.000 -1.381 5.099) 5.283 23.497 ( 0.000 1.381 5.099) 5.283 23.707 ( 0.000 -5.738 4.027) 7.011 23.707 ( 0.000 5.738 4.027) 7.011 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.646 ( -0.145 -5.400 3.630) 6.508 3.646 ( -0.145 5.400 3.630) 6.508 4.004 ( -8.682 -1.235 2.271) 9.059 4.004 ( -8.682 1.235 2.271) 9.059 4.572 ( -0.301 -3.915 9.081) 9.893 4.572 ( -0.301 3.915 9.081) 9.893 4.656 ( -0.603 -6.566 16.510) 17.777 4.656 ( -0.603 6.566 16.510) 17.777 5.500 ( 4.032 -2.482 4.042) 6.226 5.500 ( 4.032 2.482 4.043) 6.226 5.707 ( -4.128 -4.135 6.330) 8.614 5.707 ( -4.128 4.135 6.330) 8.614 5.978 ( 5.835 -4.561 2.273) 7.747 5.978 ( 5.835 4.561 2.273) 7.747 6.156 ( 4.082 -3.874 -3.093) 6.422 6.156 ( 4.082 3.874 -3.093) 6.422 6.567 ( -4.095 -12.840 -4.389) 14.174 6.567 ( -4.095 12.840 -4.389) 14.174 6.802 ( -5.601 -5.287 -11.767) 14.064 6.802 ( -5.601 5.287 -11.767) 14.064 7.345 ( 10.269 -5.942 -6.906) 13.728 7.345 ( 10.269 5.942 -6.906) 13.728 7.467 ( 9.261 -4.436 -6.660) 12.239 7.467 ( 9.261 4.436 -6.660) 12.239 7.884 ( -4.226 -2.758 -1.720) 5.331 7.884 ( -4.226 2.758 -1.720) 5.331 8.331 ( -12.441 -5.443 -6.545) 15.075 8.331 ( -12.441 5.443 -6.545) 15.075 8.513 ( 1.771 -7.216 2.268) 7.769 8.513 ( 1.771 7.216 2.268) 7.769 8.835 ( -5.819 -5.618 5.011) 9.515 8.835 ( -5.819 5.618 5.011) 9.515 9.408 ( 14.847 -4.931 -5.579) 16.610 9.408 ( 14.847 4.931 -5.579) 16.610 9.993 ( -1.815 -5.793 0.272) 6.077 9.993 ( -1.815 5.793 0.272) 6.077 10.214 ( 3.229 -6.660 -4.045) 8.435 10.214 ( 3.229 6.660 -4.045) 8.435 10.666 ( -4.879 -1.793 -2.766) 5.888 10.666 ( -4.879 1.793 -2.766) 5.888 11.118 ( 0.825 -3.119 -0.770) 3.316 11.118 ( 0.825 3.119 -0.770) 3.316 11.226 ( -1.442 -10.918 -2.864) 11.379 11.226 ( -1.442 10.918 -2.864) 11.379 11.430 ( -0.773 -2.966 -5.371) 6.184 11.430 ( -0.773 2.966 -5.371) 6.184 11.503 ( -1.775 -0.901 -2.312) 3.051 11.503 ( -1.775 0.901 -2.312) 3.051 12.123 ( 0.253 -3.388 -0.279) 3.409 12.123 ( 0.253 3.388 -0.279) 3.409 12.211 ( -1.576 -1.694 2.436) 3.360 12.211 ( -1.576 1.694 2.436) 3.360 12.754 ( 0.707 -8.146 3.936) 9.074 12.754 ( 0.707 8.146 3.936) 9.074 12.885 ( -2.463 -4.493 0.220) 5.128 12.885 ( -2.463 4.493 0.220) 5.128 13.279 ( 3.940 -1.977 -3.084) 5.380 13.279 ( 3.940 1.977 -3.084) 5.380 13.500 ( -2.759 -1.530 -1.586) 3.531 13.500 ( -2.759 1.530 -1.586) 3.531 14.267 ( 5.533 -5.378 7.746) 10.933 14.267 ( 5.533 5.378 7.746) 10.933 14.621 ( -3.117 -7.808 5.765) 10.194 14.621 ( -3.117 7.808 5.765) 10.194 15.538 ( 2.921 -1.790 -3.588) 4.961 15.538 ( 2.921 1.790 -3.588) 4.961 15.803 ( -3.159 -5.698 -2.048) 6.830 15.803 ( -3.159 5.698 -2.048) 6.830 19.671 ( 5.120 -1.644 1.069) 5.483 19.671 ( 5.120 1.644 1.069) 5.483 20.097 ( -4.957 -1.395 4.901) 7.110 20.097 ( -4.957 1.395 4.901) 7.110 21.215 ( 0.929 -1.974 -5.743) 6.144 21.215 ( 0.929 1.974 -5.743) 6.144 21.290 ( -0.865 -5.644 -8.002) 9.830 21.290 ( -0.865 5.644 -8.002) 9.830 21.894 ( 2.089 -0.781 0.670) 2.329 21.894 ( 2.089 0.781 0.670) 2.329 22.071 ( -2.189 -2.813 0.188) 3.569 22.071 ( -2.189 2.813 0.188) 3.569 23.518 ( 2.059 -1.987 5.026) 5.783 23.518 ( 2.059 1.987 5.026) 5.783 23.688 ( -1.972 -5.366 4.157) 7.068 23.688 ( -1.972 5.366 4.157) 7.068 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.678 ( 4.141 -4.459 1.544) 6.278 3.678 ( 4.141 4.459 1.544) 6.278 3.814 ( -9.432 -3.090 0.669) 9.948 3.814 ( -9.432 3.090 0.669) 9.948 4.587 ( 1.795 -5.097 11.950) 13.115 4.587 ( 1.795 5.097 11.950) 13.115 4.628 ( -2.046 -6.200 14.482) 15.885 4.628 ( -2.046 6.200 14.482) 15.885 5.579 ( 3.689 -2.481 9.292) 10.300 5.579 ( 3.689 2.481 9.292) 10.300 5.641 ( -2.941 -2.723 9.740) 10.532 5.641 ( -2.941 2.723 9.740) 10.532 6.091 ( 5.358 -6.513 0.359) 8.441 6.091 ( 5.358 6.513 0.359) 8.441 6.173 ( -2.562 -7.754 -1.043) 8.232 6.173 ( -2.562 7.754 -1.043) 8.232 6.565 ( 3.955 -10.722 -11.313) 16.081 6.565 ( 3.955 10.722 -11.313) 16.081 6.676 ( -6.650 -6.657 -13.029) 16.071 6.676 ( -6.650 6.657 -13.029) 16.071 7.549 ( 10.118 -5.323 -1.675) 11.555 7.549 ( 10.118 5.323 -1.675) 11.555 7.681 ( 5.372 -1.608 -3.278) 6.495 7.681 ( 5.372 1.608 -3.278) 6.495 7.794 ( 1.556 -8.564 -7.970) 11.802 7.794 ( 1.556 8.564 -7.970) 11.802 8.047 ( -15.683 -5.213 -9.734) 19.180 8.047 ( -15.683 5.213 -9.734) 19.180 8.584 ( 5.222 -6.731 3.852) 9.350 8.584 ( 5.222 6.731 3.852) 9.350 8.706 ( -6.952 -6.312 4.944) 10.612 8.706 ( -6.952 6.312 4.944) 10.612 9.699 ( 13.678 -1.839 -2.818) 14.085 9.699 ( 13.678 1.839 -2.818) 14.085 9.906 ( -7.480 -2.394 -0.943) 7.910 9.906 ( -7.480 2.394 -0.943) 7.910 10.330 ( 8.634 -2.771 -3.685) 9.788 10.330 ( 8.634 2.771 -3.685) 9.788 10.520 ( -9.708 -1.756 -3.444) 10.450 10.520 ( -9.708 1.756 -3.444) 10.450 11.144 ( 1.869 -6.684 -1.022) 7.016 11.144 ( 1.869 6.684 -1.022) 7.016 11.187 ( -2.401 -9.873 -1.746) 10.310 11.187 ( -2.401 9.873 -1.746) 10.310 11.430 ( 0.932 -1.482 -5.119) 5.410 11.430 ( 0.932 1.482 -5.119) 5.410 11.462 ( -2.162 -1.360 -3.611) 4.423 11.462 ( -2.162 1.360 -3.611) 4.423 12.138 ( 1.405 -2.334 0.952) 2.886 12.138 ( 1.405 2.334 0.952) 2.886 12.174 ( -2.090 -1.671 1.838) 3.246 12.174 ( -2.090 1.671 1.838) 3.246 12.781 ( 2.108 -8.005 2.169) 8.557 12.781 ( 2.108 8.005 2.169) 8.557 12.831 ( -2.845 -6.608 0.301) 7.201 12.831 ( -2.845 6.608 0.301) 7.201 13.360 ( 4.156 -1.829 -1.587) 4.810 13.360 ( 4.156 1.829 -1.587) 4.810 13.436 ( -3.664 -1.730 -1.235) 4.236 13.436 ( -3.664 1.730 -1.235) 4.236 14.398 ( 7.315 -6.033 6.367) 11.421 14.398 ( 7.315 6.033 6.367) 11.421 14.531 ( -6.021 -6.927 5.726) 10.818 14.531 ( -6.021 6.927 5.726) 10.818 15.617 ( 5.061 -3.083 -2.603) 6.473 15.617 ( 5.061 3.083 -2.603) 6.473 15.720 ( -5.152 -4.537 -2.046) 7.163 15.720 ( -5.152 4.537 -2.046) 7.163 19.805 ( 8.155 -1.879 2.025) 8.610 19.805 ( 8.155 1.879 2.025) 8.610 19.967 ( -8.050 -1.830 3.469) 8.955 19.967 ( -8.050 1.830 3.469) 8.955 21.239 ( 1.440 -3.475 -6.232) 7.279 21.239 ( 1.440 3.475 -6.232) 7.279 21.268 ( -1.402 -4.742 -7.115) 8.665 21.268 ( -1.402 4.742 -7.115) 8.665 21.948 ( 3.332 -1.488 0.456) 3.678 21.948 ( 3.332 1.488 0.456) 3.678 22.015 ( -3.395 -2.247 0.280) 4.081 22.015 ( -3.395 2.247 0.280) 4.081 23.571 ( 3.254 -3.164 4.803) 6.608 23.571 ( 3.254 3.164 4.803) 6.608 23.636 ( -3.204 -4.399 4.471) 7.042 23.636 ( -3.204 4.399 4.471) 7.042 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 0.000 0.000 -10.660) 10.660 3.206 ( 0.000 0.000 10.660) 10.660 3.594 ( 0.000 0.000 -15.574) 15.574 3.594 ( 0.000 0.000 15.574) 15.574 3.636 ( 0.000 0.000 -4.841) 4.841 3.636 ( 0.000 0.000 4.841) 4.841 4.214 ( 0.000 0.000 -6.531) 6.531 4.214 ( 0.000 0.000 6.531) 6.531 4.264 ( 0.000 0.000 -2.779) 2.779 4.264 ( 0.000 0.000 2.779) 2.779 5.181 ( 0.000 0.000 -16.650) 16.650 5.181 ( 0.000 0.000 16.650) 16.650 5.936 ( 0.000 0.000 -16.869) 16.869 5.936 ( 0.000 0.000 16.869) 16.869 5.949 ( 0.000 0.000 -5.349) 5.349 5.949 ( 0.000 0.000 5.349) 5.349 6.608 ( 0.000 0.000 -5.518) 5.518 6.608 ( 0.000 0.000 5.518) 5.518 7.046 ( 0.000 0.000 -11.550) 11.550 7.046 ( 0.000 0.000 11.550) 11.550 7.840 ( 0.000 0.000 -2.604) 2.604 7.840 ( 0.000 0.000 2.604) 2.604 7.928 ( 0.000 0.000 -3.908) 3.908 7.928 ( 0.000 0.000 3.908) 3.908 8.203 ( 0.000 0.000 -11.176) 11.176 8.203 ( 0.000 0.000 11.176) 11.176 8.601 ( 0.000 0.000 -6.956) 6.956 8.601 ( 0.000 0.000 6.956) 6.956 8.695 ( 0.000 0.000 -7.285) 7.285 8.695 ( 0.000 0.000 7.285) 7.285 8.787 ( 0.000 0.000 -11.266) 11.266 8.787 ( 0.000 0.000 11.266) 11.266 9.387 ( 0.000 0.000 -16.154) 16.154 9.387 ( 0.000 0.000 16.154) 16.154 9.862 ( 0.000 0.000 -6.265) 6.265 9.862 ( 0.000 0.000 6.265) 6.265 10.340 ( 0.000 0.000 -4.459) 4.459 10.340 ( 0.000 0.000 4.459) 4.459 10.634 ( 0.000 0.000 -2.631) 2.631 10.634 ( 0.000 0.000 2.631) 2.631 10.774 ( 0.000 0.000 -2.659) 2.659 10.774 ( 0.000 0.000 2.659) 2.659 10.913 ( 0.000 0.000 -9.631) 9.631 10.913 ( 0.000 0.000 9.631) 9.631 11.008 ( 0.000 0.000 -3.746) 3.746 11.008 ( 0.000 0.000 3.746) 3.746 11.479 ( 0.000 0.000 -1.143) 1.143 11.479 ( 0.000 0.000 1.143) 1.143 11.644 ( 0.000 0.000 -1.046) 1.046 11.644 ( 0.000 0.000 1.046) 1.046 12.259 ( 0.000 0.000 -8.701) 8.701 12.259 ( 0.000 0.000 8.701) 8.701 12.772 ( 0.000 0.000 -0.491) 0.491 12.772 ( 0.000 0.000 0.491) 0.491 12.858 ( 0.000 0.000 -2.528) 2.528 12.858 ( 0.000 0.000 2.528) 2.528 13.760 ( 0.000 0.000 -4.740) 4.740 13.760 ( 0.000 0.000 4.740) 4.740 14.070 ( 0.000 0.000 -4.466) 4.466 14.070 ( 0.000 0.000 4.466) 4.466 14.312 ( 0.000 0.000 -3.759) 3.759 14.312 ( 0.000 0.000 3.759) 3.759 14.550 ( 0.000 0.000 -3.283) 3.283 14.550 ( 0.000 0.000 3.283) 3.283 15.218 ( 0.000 0.000 -5.221) 5.221 15.218 ( 0.000 0.000 5.221) 5.221 16.518 ( 0.000 0.000 -16.809) 16.809 16.518 ( 0.000 0.000 16.809) 16.809 19.763 ( 0.000 0.000 -5.446) 5.446 19.763 ( 0.000 0.000 5.446) 5.446 20.351 ( 0.000 0.000 -4.405) 4.405 20.351 ( 0.000 0.000 4.405) 4.405 20.466 ( 0.000 0.000 -5.067) 5.067 20.466 ( 0.000 0.000 5.067) 5.067 20.501 ( 0.000 0.000 -15.748) 15.748 20.501 ( 0.000 0.000 15.748) 15.748 22.023 ( 0.000 0.000 -4.132) 4.132 22.023 ( 0.000 0.000 4.132) 4.132 22.064 ( 0.000 0.000 -1.780) 1.780 22.064 ( 0.000 0.000 1.780) 1.780 23.514 ( 0.000 0.000 -1.331) 1.331 23.514 ( 0.000 0.000 1.331) 1.331 24.238 ( 0.000 0.000 -11.334) 11.334 24.238 ( 0.000 0.000 11.334) 11.334 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 1.089 0.000 -8.729) 8.797 3.219 ( 1.089 0.000 8.729) 8.797 3.642 ( 0.625 0.000 -3.831) 3.881 3.642 ( 0.625 0.000 3.831) 3.881 3.672 ( 6.948 0.000 -12.867) 14.623 3.672 ( 6.948 0.000 12.867) 14.623 4.174 ( -3.388 0.000 -5.529) 6.485 4.174 ( -3.388 0.000 5.529) 6.485 4.271 ( 0.618 0.000 -2.305) 2.387 4.271 ( 0.618 0.000 2.305) 2.387 5.185 ( 0.132 0.000 -14.406) 14.406 5.185 ( 0.132 0.000 14.406) 14.406 5.897 ( -4.435 0.000 -4.170) 6.088 5.897 ( -4.435 0.000 4.170) 6.088 5.920 ( -1.575 0.000 -12.566) 12.665 5.920 ( -1.575 0.000 12.566) 12.665 6.641 ( 3.143 0.000 -3.055) 4.383 6.641 ( 3.143 0.000 3.055) 4.383 7.127 ( 7.275 0.000 -9.460) 11.934 7.127 ( 7.275 0.000 9.460) 11.934 7.824 ( -1.608 0.000 -2.891) 3.308 7.824 ( -1.608 0.000 2.891) 3.308 7.902 ( -2.089 0.000 -1.354) 2.490 7.902 ( -2.089 0.000 1.354) 2.490 8.111 ( -7.395 0.000 -9.818) 12.291 8.111 ( -7.395 0.000 9.818) 12.291 8.501 ( -7.409 0.000 -3.998) 8.418 8.501 ( -7.409 0.000 3.998) 8.418 8.800 ( 8.922 0.000 -8.441) 12.282 8.800 ( 8.922 0.000 8.441) 12.282 8.853 ( 4.274 0.000 -5.935) 7.314 8.853 ( 4.274 0.000 5.935) 7.314 9.323 ( -5.924 0.000 -16.619) 17.644 9.323 ( -5.924 0.000 16.619) 17.644 9.902 ( 3.129 0.000 -7.626) 8.243 9.902 ( 3.129 0.000 7.626) 8.243 10.337 ( -0.305 0.000 -3.536) 3.549 10.337 ( -0.305 0.000 3.536) 3.549 10.668 ( 3.280 0.000 -2.310) 4.012 10.668 ( 3.280 0.000 2.310) 4.012 10.791 ( 1.656 0.000 -3.810) 4.154 10.791 ( 1.656 0.000 3.810) 4.154 10.905 ( -0.808 0.000 -9.036) 9.072 10.905 ( -0.808 0.000 9.036) 9.072 11.021 ( 1.011 0.000 -2.837) 3.011 11.021 ( 1.011 0.000 2.837) 3.011 11.450 ( -2.543 0.000 -0.497) 2.591 11.450 ( -2.543 0.000 0.497) 2.591 11.642 ( -0.141 0.000 -0.958) 0.968 11.642 ( -0.141 0.000 0.958) 0.968 12.247 ( -1.168 0.000 -7.055) 7.151 12.247 ( -1.168 0.000 7.055) 7.151 12.771 ( -0.075 0.000 -0.405) 0.412 12.771 ( -0.075 0.000 0.405) 0.412 12.871 ( 1.146 0.000 -2.251) 2.526 12.871 ( 1.146 0.000 2.251) 2.526 13.770 ( 0.930 0.000 -4.149) 4.252 13.770 ( 0.930 0.000 4.149) 4.252 14.072 ( 0.139 0.000 -3.662) 3.665 14.072 ( 0.139 0.000 3.662) 3.665 14.311 ( -0.129 0.000 -3.095) 3.098 14.311 ( -0.129 0.000 3.095) 3.098 14.510 ( -3.492 0.000 -3.705) 5.091 14.510 ( -3.492 0.000 3.705) 5.091 15.264 ( 4.075 0.000 -5.207) 6.612 15.264 ( 4.075 0.000 5.207) 6.612 16.486 ( -2.868 0.000 -13.921) 14.214 16.486 ( -2.868 0.000 13.921) 14.214 19.824 ( 5.825 0.000 -6.339) 8.609 19.824 ( 5.825 0.000 6.339) 8.609 20.350 ( -0.054 0.000 -3.521) 3.521 20.350 ( -0.054 0.000 3.521) 3.521 20.448 ( -5.218 0.000 -14.527) 15.436 20.448 ( -5.218 0.000 14.527) 15.436 20.466 ( 0.061 0.000 -4.056) 4.057 20.466 ( 0.061 0.000 4.056) 4.057 22.026 ( 0.338 0.000 -3.743) 3.758 22.026 ( 0.338 0.000 3.743) 3.758 22.062 ( -0.130 0.000 -1.877) 1.882 22.062 ( -0.130 0.000 1.877) 1.882 23.530 ( 1.397 0.000 -1.344) 1.938 23.530 ( 1.397 0.000 1.344) 1.938 24.217 ( -1.904 0.000 -9.368) 9.559 24.217 ( -1.904 0.000 9.368) 9.559 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 0.622 0.000 -3.383) 3.440 3.238 ( 0.622 0.000 3.383) 3.440 3.655 ( 0.475 0.000 -1.394) 1.473 3.655 ( 0.475 0.000 1.394) 1.473 3.797 ( 4.148 0.000 -4.879) 6.404 3.797 ( 4.148 0.000 4.879) 6.404 4.122 ( -1.296 0.000 -2.692) 2.988 4.122 ( -1.296 0.000 2.692) 2.988 4.282 ( 0.365 0.000 -0.917) 0.987 4.282 ( 0.365 0.000 0.917) 0.987 5.180 ( -0.453 0.000 -6.229) 6.246 5.180 ( -0.453 0.000 6.229) 6.246 5.821 ( -2.469 0.000 -1.567) 2.925 5.821 ( -2.469 0.000 1.567) 2.925 5.886 ( -1.391 0.000 -4.132) 4.359 5.886 ( -1.391 0.000 4.132) 4.359 6.702 ( 2.198 0.000 -0.439) 2.241 6.702 ( 2.198 0.000 0.439) 2.241 7.266 ( 5.123 0.000 -4.032) 6.519 7.266 ( 5.123 0.000 4.032) 6.519 7.785 ( -1.760 0.000 -1.898) 2.588 7.785 ( -1.760 0.000 1.898) 2.588 7.884 ( 0.988 0.000 -3.174) 3.325 7.884 ( 0.988 0.000 3.174) 3.325 7.973 ( -5.871 0.000 -6.533) 8.783 7.973 ( -5.871 0.000 6.533) 8.783 8.382 ( -3.717 0.000 -1.955) 4.200 8.382 ( -3.717 0.000 1.955) 4.200 8.913 ( 1.625 0.000 -1.819) 2.439 8.913 ( 1.625 0.000 1.819) 2.439 8.987 ( 9.555 0.000 -10.821) 14.436 8.987 ( 9.555 0.000 10.821) 14.436 9.180 ( -8.292 0.000 -14.212) 16.454 9.180 ( -8.292 0.000 14.212) 16.454 9.950 ( 1.378 0.000 -3.508) 3.769 9.950 ( 1.378 0.000 3.508) 3.769 10.332 ( -0.173 0.000 -1.310) 1.322 10.332 ( -0.173 0.000 1.310) 1.322 10.736 ( 2.673 0.000 -1.027) 2.864 10.736 ( 2.673 0.000 1.027) 2.864 10.828 ( 1.677 0.000 -4.220) 4.541 10.828 ( 1.677 0.000 4.220) 4.541 10.884 ( -1.167 0.000 -6.085) 6.196 10.884 ( -1.167 0.000 6.085) 6.196 11.034 ( 0.165 0.000 -1.112) 1.124 11.034 ( 0.165 0.000 1.112) 1.124 11.406 ( -1.425 0.000 -0.277) 1.452 11.406 ( -1.425 0.000 0.277) 1.452 11.640 ( -0.091 0.000 -0.430) 0.439 11.640 ( -0.091 0.000 0.430) 0.439 12.223 ( -0.885 0.000 -2.728) 2.868 12.223 ( -0.885 0.000 2.728) 2.868 12.770 ( -0.046 0.000 -0.160) 0.166 12.770 ( -0.046 0.000 0.160) 0.166 12.891 ( 0.687 0.000 -0.962) 1.183 12.891 ( 0.687 0.000 0.962) 1.183 13.789 ( 0.699 0.000 -1.821) 1.951 13.789 ( 0.699 0.000 1.821) 1.951 14.074 ( 0.088 0.000 -1.431) 1.434 14.074 ( 0.088 0.000 1.431) 1.434 14.308 ( -0.081 0.000 -1.217) 1.220 14.308 ( -0.081 0.000 1.217) 1.220 14.448 ( -2.079 0.000 -1.856) 2.787 14.448 ( -2.079 0.000 1.856) 2.787 15.338 ( 2.513 0.000 -2.500) 3.545 15.338 ( 2.513 0.000 2.500) 3.545 16.432 ( -1.943 0.000 -5.586) 5.914 16.432 ( -1.943 0.000 5.586) 5.914 19.954 ( 5.801 0.000 -5.380) 7.912 19.954 ( 5.801 0.000 5.380) 7.912 20.329 ( -5.430 0.000 -8.430) 10.028 20.329 ( -5.430 0.000 8.430) 10.028 20.349 ( -0.033 0.000 -1.319) 1.320 20.349 ( -0.033 0.000 1.319) 1.320 20.467 ( 0.037 0.000 -1.524) 1.524 20.467 ( 0.037 0.000 1.524) 1.524 22.033 ( 0.218 0.000 -1.815) 1.828 22.033 ( 0.218 0.000 1.815) 1.828 22.060 ( -0.092 0.000 -1.119) 1.123 22.060 ( -0.092 0.000 1.119) 1.123 23.556 ( 0.955 0.000 -0.706) 1.188 23.556 ( 0.955 0.000 0.706) 1.188 24.181 ( -1.269 0.000 -3.736) 3.945 24.181 ( -1.269 0.000 3.736) 3.945 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( 0.000 19.534 -8.529) 21.315 3.438 ( 0.000 19.534 8.529) 21.315 3.541 ( 0.000 1.343 -12.034) 12.109 3.541 ( 0.000 1.343 12.034) 12.109 3.861 ( 0.000 14.926 -6.350) 16.221 3.861 ( 0.000 14.926 6.350) 16.221 4.223 ( 0.000 2.459 -2.889) 3.794 4.223 ( 0.000 2.459 2.889) 3.794 4.509 ( 0.000 21.012 -0.980) 21.035 4.509 ( 0.000 21.012 0.980) 21.035 5.208 ( 0.000 2.848 -13.946) 14.233 5.208 ( 0.000 2.848 13.946) 14.233 5.926 ( 0.000 -0.499 -17.992) 17.999 5.926 ( 0.000 -0.499 17.992) 17.999 6.005 ( 0.000 4.900 -3.663) 6.118 6.005 ( 0.000 4.900 3.663) 6.118 6.530 ( 0.000 -6.388 -6.545) 9.146 6.530 ( 0.000 -6.388 6.545) 9.146 7.074 ( 0.000 1.725 -8.695) 8.865 7.074 ( 0.000 1.725 8.695) 8.865 7.625 ( 0.000 -15.447 -0.798) 15.468 7.625 ( 0.000 -15.447 0.798) 15.468 7.913 ( 0.000 -5.182 -4.515) 6.873 7.913 ( 0.000 -5.182 4.515) 6.873 8.189 ( 0.000 -0.712 -14.024) 14.042 8.189 ( 0.000 -0.712 14.024) 14.042 8.380 ( 0.000 -14.118 -8.183) 16.318 8.380 ( 0.000 -14.118 8.183) 16.318 8.728 ( 0.000 5.138 -5.885) 7.812 8.728 ( 0.000 5.138 5.885) 7.812 8.990 ( 0.000 7.386 -10.118) 12.527 8.990 ( 0.000 7.386 10.118) 12.527 9.379 ( 0.000 -0.318 -16.558) 16.562 9.379 ( 0.000 -0.318 16.558) 16.562 9.753 ( 0.000 -6.389 -3.160) 7.127 9.753 ( 0.000 -6.389 3.160) 7.127 10.403 ( 0.000 1.238 -8.035) 8.130 10.403 ( 0.000 1.238 8.035) 8.130 10.668 ( 0.000 6.932 -1.181) 7.032 10.668 ( 0.000 6.932 1.181) 7.032 10.848 ( 0.000 -1.898 -3.654) 4.118 10.848 ( 0.000 -1.898 3.654) 4.118 10.913 ( 0.000 6.589 -2.421) 7.020 10.913 ( 0.000 6.589 2.421) 7.020 11.064 ( 0.000 4.679 -0.445) 4.700 11.064 ( 0.000 4.679 0.445) 4.700 11.401 ( 0.000 -0.496 -2.611) 2.658 11.401 ( 0.000 -0.496 2.611) 2.658 11.833 ( 0.000 10.341 -2.825) 10.720 11.833 ( 0.000 10.341 2.825) 10.720 12.257 ( 0.000 0.356 -6.733) 6.742 12.257 ( 0.000 0.356 6.733) 6.742 12.757 ( 0.000 -2.584 -2.526) 3.613 12.757 ( 0.000 -2.584 2.526) 3.613 12.776 ( 0.000 -5.362 -0.690) 5.406 12.776 ( 0.000 -5.362 0.690) 5.406 13.706 ( 0.000 -5.159 -4.348) 6.747 13.706 ( 0.000 -5.159 4.348) 6.747 13.978 ( 0.000 -7.910 -0.339) 7.918 13.978 ( 0.000 -7.910 0.339) 7.918 14.282 ( 0.000 -1.580 -1.772) 2.374 14.282 ( 0.000 -1.580 1.772) 2.374 14.641 ( 0.000 6.320 -5.423) 8.327 14.641 ( 0.000 6.320 5.423) 8.327 15.251 ( 0.000 3.050 -4.475) 5.416 15.251 ( 0.000 3.050 4.475) 5.416 16.406 ( 0.000 -10.082 -15.125) 18.177 16.406 ( 0.000 -10.082 15.125) 18.177 19.723 ( 0.000 -3.040 -4.760) 5.648 19.723 ( 0.000 -3.040 4.760) 5.648 20.328 ( 0.000 -2.336 -0.762) 2.457 20.328 ( 0.000 -2.336 0.762) 2.457 20.575 ( 0.000 10.699 -4.101) 11.458 20.575 ( 0.000 10.699 4.101) 11.458 20.619 ( 0.000 9.536 -10.122) 13.906 20.619 ( 0.000 9.536 10.122) 13.906 22.022 ( 0.000 -1.023 -3.188) 3.348 22.022 ( 0.000 -1.023 3.188) 3.348 22.053 ( 0.000 -0.113 -0.608) 0.618 22.053 ( 0.000 -0.113 0.608) 0.618 23.510 ( 0.000 -0.355 -1.145) 1.198 23.510 ( 0.000 -0.355 1.145) 1.198 24.180 ( 0.000 -5.455 -10.350) 11.700 24.180 ( 0.000 -5.455 10.350) 11.700 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( 1.114 18.370 -8.150) 20.128 3.446 ( 1.114 18.370 8.150) 20.128 3.574 ( 2.162 1.508 -9.109) 9.483 3.574 ( 2.162 1.508 9.109) 9.483 3.895 ( 3.523 13.477 -5.823) 15.099 3.895 ( 3.523 13.477 5.823) 15.099 4.180 ( -3.888 2.477 -2.250) 5.130 4.180 ( -3.888 2.477 2.250) 5.130 4.516 ( 0.781 21.240 -1.915) 21.341 4.516 ( 0.781 21.240 1.915) 21.341 5.220 ( 0.845 3.543 -11.777) 12.327 5.220 ( 0.845 3.543 11.777) 12.327 5.913 ( -1.535 0.324 -12.495) 12.593 5.913 ( -1.535 0.324 12.495) 12.593 5.955 ( -4.187 4.466 -3.693) 7.149 5.955 ( -4.187 4.466 3.693) 7.149 6.549 ( 2.190 -7.471 -4.467) 8.976 6.549 ( 2.190 -7.471 4.467) 8.976 7.179 ( 9.117 3.621 -7.031) 12.069 7.179 ( 9.117 3.621 7.031) 12.069 7.616 ( -0.823 -15.822 -1.713) 15.936 7.616 ( -0.823 -15.822 1.713) 15.936 7.870 ( -3.773 -5.896 -3.245) 7.716 7.870 ( -3.773 -5.896 3.245) 7.716 8.044 ( -9.405 -3.377 -9.273) 13.633 8.044 ( -9.405 -3.377 9.273) 13.633 8.494 ( 5.757 -7.540 -3.918) 10.263 8.494 ( 5.757 -7.540 3.918) 10.263 8.731 ( 0.438 4.901 -5.772) 7.584 8.731 ( 0.438 4.901 5.772) 7.584 8.975 ( -0.544 1.708 -5.662) 5.939 8.975 ( -0.544 1.708 5.662) 5.939 9.343 ( -3.353 2.672 -13.645) 14.303 9.343 ( -3.353 2.672 13.645) 14.303 9.794 ( 3.304 -6.150 -5.140) 8.669 9.794 ( 3.304 -6.150 5.140) 8.669 10.423 ( 1.778 2.010 -6.825) 7.334 10.423 ( 1.778 2.010 6.825) 7.334 10.659 ( -0.453 3.694 -1.309) 3.945 10.659 ( -0.453 3.694 1.309) 3.945 10.854 ( 0.423 -0.207 -6.713) 6.730 10.854 ( 0.423 -0.207 6.713) 6.730 10.928 ( 1.230 6.289 -3.336) 7.225 10.928 ( 1.230 6.289 3.336) 7.225 11.076 ( 1.234 4.716 -1.163) 5.011 11.076 ( 1.234 4.716 1.163) 5.011 11.365 ( -3.402 -1.532 -2.540) 4.514 11.365 ( -3.402 -1.532 2.540) 4.514 11.853 ( 1.821 12.662 -2.508) 13.036 11.853 ( 1.821 12.662 2.508) 13.036 12.238 ( -1.758 -0.410 -5.849) 6.122 12.238 ( -1.758 -0.410 5.849) 6.122 12.758 ( 0.116 -1.655 -2.023) 2.616 12.758 ( 0.116 -1.655 2.023) 2.616 12.782 ( 0.568 -6.785 -1.382) 6.947 12.782 ( 0.568 -6.785 1.382) 6.947 13.711 ( 0.425 -5.635 -3.800) 6.810 13.711 ( 0.425 -5.635 3.800) 6.810 13.964 ( -1.266 -8.510 -1.453) 8.725 13.964 ( -1.266 -8.510 1.453) 8.725 14.290 ( 0.745 -0.902 -2.135) 2.435 14.290 ( 0.745 -0.902 2.135) 2.435 14.619 ( -1.989 7.299 -4.573) 8.840 14.619 ( -1.989 7.299 4.573) 8.840 15.294 ( 3.822 2.726 -4.640) 6.600 15.294 ( 3.822 2.726 4.640) 6.600 16.374 ( -2.906 -10.095 -12.619) 16.420 16.374 ( -2.906 -10.095 12.619) 16.420 19.781 ( 5.622 -3.190 -5.291) 8.353 19.781 ( 5.622 -3.190 5.291) 8.353 20.294 ( -3.532 -3.521 -2.928) 5.783 20.294 ( -3.532 -3.521 2.928) 5.783 20.573 ( -0.142 10.732 -3.588) 11.316 20.573 ( -0.142 10.732 3.588) 11.316 20.602 ( -1.405 10.773 -7.836) 13.395 20.602 ( -1.405 10.773 7.836) 13.395 22.026 ( 0.400 -1.068 -3.115) 3.317 22.026 ( 0.400 -1.068 3.115) 3.317 22.051 ( -0.228 -0.112 -1.260) 1.285 22.051 ( -0.228 -0.112 1.260) 1.285 23.524 ( 1.316 -0.429 -1.192) 1.827 23.524 ( 1.316 -0.429 1.192) 1.827 24.160 ( -1.745 -5.299 -8.563) 10.220 24.160 ( -1.745 -5.299 8.563) 10.220 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( 1.273 20.457 -4.019) 20.887 3.475 ( 1.273 20.457 4.019) 20.887 3.595 ( 0.161 -1.390 -3.733) 3.987 3.595 ( 0.161 -1.390 3.733) 3.987 3.985 ( 4.960 11.279 -3.671) 12.856 3.985 ( 4.960 11.279 3.671) 12.856 4.095 ( -4.411 1.129 -0.927) 4.646 4.095 ( -4.411 1.129 0.927) 4.646 4.534 ( 0.773 21.806 -1.069) 21.846 4.534 ( 0.773 21.806 1.069) 21.846 5.231 ( 0.226 4.964 -4.828) 6.928 5.231 ( 0.226 4.964 4.828) 6.928 5.865 ( -2.285 3.945 -0.728) 4.617 5.865 ( -2.285 3.945 0.728) 4.617 5.897 ( -1.396 1.346 -3.291) 3.820 5.897 ( -1.396 1.346 3.291) 3.820 6.599 ( 1.967 -8.301 -1.476) 8.658 6.599 ( 1.967 -8.301 1.476) 8.658 7.345 ( 5.930 5.786 -3.511) 8.999 7.345 ( 5.930 5.786 3.511) 8.999 7.597 ( -1.079 -16.455 -0.696) 16.505 7.597 ( -1.079 -16.455 0.696) 16.505 7.818 ( 0.062 -5.737 -1.253) 5.873 7.818 ( 0.062 -5.737 1.253) 5.873 7.889 ( -6.244 -3.986 -5.416) 9.176 7.889 ( -6.244 -3.986 5.416) 9.176 8.534 ( -0.525 6.443 -1.744) 6.696 8.534 ( -0.525 6.443 1.744) 6.696 8.749 ( 0.958 -7.890 -3.791) 8.806 8.749 ( 0.958 -7.890 3.791) 8.806 8.995 ( 1.990 -3.635 -1.739) 4.494 8.995 ( 1.990 -3.635 1.739) 4.494 9.271 ( -3.065 7.320 -6.228) 10.088 9.271 ( -3.065 7.320 6.228) 10.088 9.846 ( 1.570 -5.256 -2.331) 5.960 9.846 ( 1.570 -5.256 2.331) 5.960 10.453 ( 0.876 4.599 -2.804) 5.457 10.453 ( 0.876 4.599 2.804) 5.457 10.662 ( 0.499 -3.758 -1.763) 4.181 10.662 ( 0.499 -3.758 1.763) 4.181 10.860 ( 0.133 4.758 -4.650) 6.655 10.860 ( 0.133 4.758 4.650) 6.655 10.950 ( 0.787 4.737 -2.245) 5.301 10.950 ( 0.787 4.737 2.245) 5.301 11.104 ( 1.197 5.657 -0.871) 5.848 11.104 ( 1.197 5.657 0.871) 5.848 11.295 ( -2.749 -4.237 -1.418) 5.246 11.295 ( -2.749 -4.237 1.418) 5.246 11.889 ( 1.395 17.018 -1.257) 17.121 11.889 ( 1.395 17.018 1.257) 17.121 12.202 ( -1.422 -2.388 -2.613) 3.815 12.202 ( -1.422 -2.388 2.613) 3.815 12.760 ( 0.031 -0.827 -0.707) 1.088 12.760 ( 0.031 -0.827 0.707) 1.088 12.793 ( 0.385 -8.397 -0.732) 8.438 12.793 ( 0.385 -8.397 0.732) 8.438 13.720 ( 0.355 -6.531 -1.683) 6.754 13.720 ( 0.355 -6.531 1.683) 6.754 13.940 ( -0.887 -9.215 -0.948) 9.306 13.940 ( -0.887 -9.215 0.948) 9.306 14.306 ( 0.612 0.041 -1.200) 1.347 14.306 ( 0.612 0.041 1.200) 1.347 14.582 ( -1.270 8.679 -1.896) 8.973 14.582 ( -1.270 8.679 1.896) 8.973 15.365 ( 2.493 2.494 -2.342) 4.233 15.365 ( 2.493 2.494 2.342) 4.233 16.318 ( -2.014 -10.206 -5.146) 11.606 16.318 ( -2.014 -10.206 5.146) 11.606 19.909 ( 5.943 -3.269 -4.417) 8.094 19.909 ( 5.943 -3.269 4.417) 8.094 20.201 ( -4.848 -5.220 -3.978) 8.159 20.201 ( -4.848 -5.220 3.978) 8.159 20.571 ( -0.045 12.312 -2.268) 12.519 20.571 ( -0.045 12.312 2.268) 12.519 20.579 ( -0.719 10.863 -3.559) 11.454 20.579 ( -0.719 10.863 3.559) 11.454 22.035 ( 0.437 -1.400 -2.554) 2.945 22.035 ( 0.437 -1.400 2.554) 2.945 22.045 ( -0.331 0.152 -1.910) 1.944 22.045 ( -0.331 0.152 1.910) 1.944 23.549 ( 0.899 -0.558 -0.642) 1.238 23.549 ( 0.899 -0.558 0.642) 1.238 24.128 ( -1.165 -5.037 -3.420) 6.199 24.128 ( -1.165 -5.037 3.420) 6.199 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( 0.000 3.850 -9.079) 9.862 3.576 ( 0.000 3.850 9.079) 9.862 3.936 ( 0.000 20.222 -1.340) 20.267 3.936 ( 0.000 20.222 1.340) 20.267 4.157 ( 0.000 13.378 -1.703) 13.486 4.157 ( 0.000 13.378 1.703) 13.486 4.375 ( 0.000 13.843 -2.519) 14.070 4.375 ( 0.000 13.843 2.519) 14.070 5.030 ( 0.000 25.565 -1.727) 25.624 5.030 ( 0.000 25.565 1.727) 25.624 5.316 ( 0.000 8.457 -5.645) 10.168 5.316 ( 0.000 8.457 5.645) 10.168 5.919 ( 0.000 -0.165 -15.190) 15.191 5.919 ( 0.000 -0.165 15.190) 15.191 6.117 ( 0.000 3.445 -3.550) 4.947 6.117 ( 0.000 3.445 3.550) 4.947 6.413 ( 0.000 -1.999 -7.586) 7.845 6.413 ( 0.000 -1.999 7.586) 7.845 7.076 ( 0.000 -2.497 -0.258) 2.510 7.076 ( 0.000 -2.497 0.258) 2.510 7.298 ( 0.000 -14.365 -3.656) 14.823 7.298 ( 0.000 -14.365 3.656) 14.823 7.695 ( 0.000 -14.400 -0.953) 14.431 7.695 ( 0.000 -14.400 0.953) 14.431 8.102 ( 0.000 -8.072 -3.770) 8.909 8.102 ( 0.000 -8.072 3.770) 8.909 8.260 ( 0.000 3.469 -18.184) 18.512 8.260 ( 0.000 3.469 18.184) 18.512 8.746 ( 0.000 -4.938 -6.811) 8.412 8.746 ( 0.000 -4.938 6.811) 8.412 9.023 ( 0.000 -2.109 -7.322) 7.620 9.023 ( 0.000 -2.109 7.322) 7.620 9.365 ( 0.000 -2.354 -13.505) 13.709 9.365 ( 0.000 -2.354 13.505) 13.709 9.727 ( 0.000 4.508 -1.484) 4.746 9.727 ( 0.000 4.508 1.484) 4.746 10.362 ( 0.000 -4.164 -6.405) 7.639 10.362 ( 0.000 -4.164 6.405) 7.639 10.747 ( 0.000 -3.235 -3.529) 4.788 10.747 ( 0.000 -3.235 3.529) 4.788 10.896 ( 0.000 9.400 -4.535) 10.437 10.896 ( 0.000 9.400 4.535) 10.437 11.072 ( 0.000 7.263 -2.961) 7.844 11.072 ( 0.000 7.263 2.961) 7.844 11.176 ( 0.000 6.276 -1.999) 6.586 11.176 ( 0.000 6.276 1.999) 6.586 11.535 ( 0.000 11.854 -5.954) 13.265 11.535 ( 0.000 11.854 5.954) 13.265 11.877 ( 0.000 -6.982 -1.630) 7.170 11.877 ( 0.000 -6.982 1.630) 7.170 12.321 ( 0.000 4.679 -0.039) 4.679 12.321 ( 0.000 4.679 0.039) 4.679 12.662 ( 0.000 -1.484 -1.104) 1.850 12.662 ( 0.000 -1.484 1.104) 1.850 12.762 ( 0.000 2.549 -0.522) 2.602 12.762 ( 0.000 2.549 0.522) 2.602 13.542 ( 0.000 -10.927 -1.406) 11.017 13.542 ( 0.000 -10.927 1.406) 11.017 13.792 ( 0.000 -9.172 -1.036) 9.231 13.792 ( 0.000 -9.172 1.036) 9.231 14.265 ( 0.000 -0.004 -4.543) 4.543 14.265 ( 0.000 -0.004 4.543) 4.543 14.744 ( 0.000 2.850 -7.606) 8.122 14.744 ( 0.000 2.850 7.606) 8.122 15.333 ( 0.000 4.466 -3.027) 5.395 15.333 ( 0.000 4.466 3.027) 5.395 16.148 ( 0.000 -13.419 -11.567) 17.717 16.148 ( 0.000 -13.419 11.567) 17.717 19.666 ( 0.000 -2.154 -3.205) 3.861 19.666 ( 0.000 -2.154 3.205) 3.861 20.274 ( 0.000 -2.581 -1.688) 3.084 20.274 ( 0.000 -2.581 1.688) 3.084 20.810 ( 0.000 11.321 -0.600) 11.337 20.810 ( 0.000 11.321 0.600) 11.337 20.884 ( 0.000 14.327 -4.784) 15.104 20.884 ( 0.000 14.327 4.784) 15.104 21.969 ( 0.000 -3.322 -0.590) 3.374 21.969 ( 0.000 -3.322 0.590) 3.374 22.071 ( 0.000 1.238 -2.470) 2.763 22.071 ( 0.000 1.238 2.470) 2.763 23.506 ( 0.000 0.119 -0.572) 0.585 23.506 ( 0.000 0.119 0.572) 0.585 24.028 ( 0.000 -8.668 -7.904) 11.731 24.028 ( 0.000 -8.668 7.904) 11.731 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.573 ( 0.015 2.927 -7.513) 8.063 3.573 ( 0.015 2.927 7.513) 8.063 3.942 ( 0.076 15.845 -1.038) 15.880 3.942 ( 0.076 15.845 1.038) 15.880 4.129 ( -2.531 13.694 -1.454) 14.002 4.129 ( -2.531 13.694 1.454) 14.002 4.366 ( -0.537 15.195 -2.360) 15.386 4.366 ( -0.537 15.195 2.360) 15.386 5.046 ( 1.706 26.507 -2.474) 26.677 5.046 ( 1.706 26.507 2.474) 26.677 5.346 ( 2.425 9.152 -5.176) 10.790 5.346 ( 2.425 9.152 5.176) 10.790 5.922 ( 0.276 0.813 -11.792) 11.823 5.922 ( 0.276 0.813 11.792) 11.823 6.076 ( -4.243 5.583 -5.619) 8.986 6.076 ( -4.243 5.583 5.619) 8.986 6.396 ( 0.054 -5.316 -7.318) 9.045 6.396 ( 0.054 -5.316 7.318) 9.045 7.215 ( 10.674 -4.486 -3.388) 12.064 7.215 ( 10.674 -4.486 3.388) 12.064 7.270 ( -1.476 -12.666 -7.196) 14.642 7.270 ( -1.476 -12.666 7.196) 14.642 7.682 ( -0.796 -10.705 -0.610) 10.752 7.682 ( -0.796 -10.705 0.610) 10.752 7.977 ( -8.986 -3.825 -3.431) 10.351 7.977 ( -8.986 -3.825 3.431) 10.351 8.353 ( 6.122 -3.372 -9.914) 12.130 8.353 ( 6.122 -3.372 9.914) 12.130 8.756 ( -1.032 -6.993 -7.233) 10.114 8.756 ( -1.032 -6.993 7.233) 10.114 8.939 ( -4.985 -1.100 -4.097) 6.545 8.939 ( -4.985 -1.100 4.097) 6.545 9.411 ( 2.459 2.014 -7.685) 8.317 9.411 ( 2.459 2.014 7.685) 8.317 9.754 ( 2.853 2.908 -2.746) 4.913 9.754 ( 2.853 2.908 2.746) 4.913 10.377 ( 1.692 -4.513 -5.812) 7.550 10.377 ( 1.692 -4.513 5.812) 7.550 10.695 ( -4.905 -2.094 -3.163) 6.201 10.695 ( -4.905 -2.094 3.163) 6.201 10.924 ( 2.975 6.309 -6.782) 9.729 10.924 ( 2.975 6.309 6.782) 9.729 11.091 ( 1.250 9.026 -4.293) 10.073 11.091 ( 1.250 9.026 4.293) 10.073 11.185 ( 1.019 5.450 -1.660) 5.787 11.185 ( 1.019 5.450 1.660) 5.787 11.459 ( -6.581 9.044 -5.199) 12.334 11.459 ( -6.581 9.044 5.199) 12.334 11.941 ( 5.385 -5.747 -1.891) 8.099 11.941 ( 5.385 -5.747 1.891) 8.099 12.304 ( -1.762 6.286 -0.312) 6.536 12.304 ( -1.762 6.286 0.312) 6.536 12.652 ( -0.909 -2.475 -1.374) 2.973 12.652 ( -0.909 -2.475 1.374) 2.973 12.764 ( 0.190 2.739 -0.363) 2.770 12.764 ( 0.190 2.739 0.363) 2.770 13.537 ( -0.433 -11.124 -1.230) 11.200 13.537 ( -0.433 -11.124 1.230) 11.200 13.779 ( -1.109 -8.780 -0.994) 8.905 13.779 ( -1.109 -8.780 0.994) 8.905 14.285 ( 1.793 0.561 -4.010) 4.428 14.285 ( 1.793 0.561 4.010) 4.428 14.734 ( -0.982 2.980 -6.123) 6.880 14.734 ( -0.982 2.980 6.123) 6.880 15.368 ( 3.310 4.168 -3.377) 6.303 15.368 ( 3.310 4.168 3.377) 6.303 16.117 ( -2.917 -13.355 -9.871) 16.861 16.117 ( -2.917 -13.355 9.871) 16.861 19.722 ( 5.446 -2.226 -3.485) 6.838 19.722 ( 5.446 -2.226 3.485) 6.838 20.226 ( -4.838 -3.027 -2.717) 6.320 20.226 ( -4.838 -3.027 2.717) 6.320 20.806 ( -0.286 11.509 -0.587) 11.528 20.806 ( -0.286 11.509 0.587) 11.528 20.885 ( 0.097 14.598 -3.709) 15.062 20.885 ( 0.097 14.598 3.709) 15.062 21.974 ( 0.468 -3.135 -0.583) 3.223 21.974 ( 0.468 -3.135 0.583) 3.223 22.067 ( -0.436 0.942 -2.122) 2.362 22.067 ( -0.436 0.942 2.122) 2.362 23.519 ( 1.189 0.082 -0.798) 1.434 23.519 ( 1.189 0.082 0.798) 1.434 24.012 ( -1.414 -8.500 -6.570) 10.835 24.012 ( -1.414 -8.500 6.570) 10.835 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( 0.602 1.503 -3.152) 3.543 3.582 ( 0.602 1.503 3.152) 3.543 3.928 ( -1.109 5.818 -0.462) 5.941 3.928 ( -1.109 5.818 0.462) 5.941 4.086 ( -1.293 18.218 -0.307) 18.266 4.086 ( -1.293 18.218 0.307) 18.266 4.362 ( -0.012 16.435 -1.031) 16.468 4.362 ( -0.012 16.435 1.031) 16.468 5.084 ( 1.505 28.363 -1.255) 28.431 5.084 ( 1.505 28.363 1.255) 28.431 5.386 ( 1.288 9.804 -2.172) 10.124 5.386 ( 1.288 9.804 2.172) 10.124 5.929 ( 0.588 2.814 -5.829) 6.499 5.929 ( 0.588 2.814 5.829) 6.499 5.987 ( -3.589 6.297 -4.605) 8.587 5.987 ( -3.589 6.297 4.605) 8.587 6.421 ( 1.435 -7.581 -3.240) 8.369 6.421 ( 1.435 -7.581 3.240) 8.369 7.210 ( -1.757 -19.404 -1.777) 19.564 7.210 ( -1.757 -19.404 1.777) 19.564 7.435 ( 7.182 1.481 -0.529) 7.352 7.435 ( 7.182 1.481 0.529) 7.352 7.694 ( 2.773 -4.745 -0.939) 5.576 7.694 ( 2.773 -4.745 0.939) 5.576 7.810 ( -7.526 -3.791 -2.340) 8.746 7.810 ( -7.526 -3.791 2.340) 8.746 8.471 ( 6.342 -8.120 -5.897) 11.871 8.471 ( 6.342 -8.120 5.897) 11.871 8.637 ( -8.715 -7.976 -5.616) 13.080 8.637 ( -8.715 -7.976 5.616) 13.080 8.927 ( 1.470 -1.347 -1.214) 2.334 8.927 ( 1.470 -1.347 1.214) 2.334 9.427 ( -0.240 7.511 -2.255) 7.846 9.427 ( -0.240 7.511 2.255) 7.846 9.815 ( 2.276 1.839 -1.649) 3.358 9.815 ( 2.276 1.839 1.649) 3.358 10.430 ( 3.419 -4.089 -3.734) 6.508 10.430 ( 3.419 -4.089 3.734) 6.508 10.586 ( -5.203 -3.947 -2.917) 7.153 10.586 ( -5.203 -3.947 2.917) 7.153 10.995 ( 3.188 2.625 -5.460) 6.846 10.995 ( 3.188 2.625 5.460) 6.846 11.102 ( -0.079 12.079 -3.870) 12.684 11.102 ( -0.079 12.079 3.870) 12.684 11.223 ( 3.220 4.953 -1.859) 6.193 11.223 ( 3.220 4.953 1.859) 6.193 11.321 ( -6.726 6.719 -3.246) 10.046 11.321 ( -6.726 6.719 3.246) 10.046 12.041 ( 3.780 -8.327 -0.827) 9.182 12.041 ( 3.780 -8.327 0.827) 9.182 12.260 ( -2.107 11.243 -0.265) 11.442 12.260 ( -2.107 11.243 0.265) 11.442 12.636 ( -0.542 -4.080 -0.705) 4.176 12.636 ( -0.542 -4.080 0.705) 4.176 12.768 ( 0.094 3.016 -0.116) 3.019 12.768 ( 0.094 3.016 0.116) 3.019 13.529 ( -0.266 -11.434 -0.524) 11.449 13.529 ( -0.266 -11.434 0.524) 11.449 13.760 ( -0.612 -8.127 -0.427) 8.161 13.760 ( -0.612 -8.127 0.427) 8.161 14.318 ( 1.153 1.466 -1.754) 2.560 14.318 ( 1.153 1.466 1.754) 2.560 14.714 ( -0.757 3.080 -2.382) 3.966 14.714 ( -0.757 3.080 2.382) 3.966 15.434 ( 2.460 3.964 -1.963) 5.061 15.434 ( 2.460 3.964 1.963) 5.061 16.059 ( -2.181 -13.445 -4.257) 14.270 16.059 ( -2.181 -13.445 4.257) 14.270 19.851 ( 6.450 -1.997 -3.055) 7.411 19.851 ( 6.450 -1.997 3.055) 7.411 20.107 ( -6.092 -4.014 -2.927) 7.861 20.107 ( -6.092 -4.014 2.927) 7.861 20.802 ( -0.114 11.724 -0.227) 11.727 20.802 ( -0.114 11.724 0.227) 11.727 20.886 ( 0.012 15.047 -1.348) 15.107 20.886 ( 0.012 15.047 1.348) 15.107 21.983 ( 0.337 -2.760 -0.328) 2.800 21.983 ( 0.337 -2.760 0.328) 2.800 22.058 ( -0.314 0.394 -0.925) 1.054 22.058 ( -0.314 0.394 0.925) 1.054 23.541 ( 0.816 0.029 -0.501) 0.958 23.541 ( 0.816 0.029 0.501) 0.958 23.986 ( -0.956 -8.235 -2.649) 8.703 23.986 ( -0.956 -8.235 2.649) 8.703 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 0.000 3.664 -5.151) 6.321 3.661 ( 0.000 3.664 5.151) 6.321 4.117 ( 0.000 2.254 -1.648) 2.792 4.117 ( 0.000 2.254 1.648) 2.792 4.509 ( 0.000 15.204 -1.184) 15.251 4.509 ( 0.000 15.204 1.184) 15.251 4.700 ( 0.000 14.325 -5.233) 15.251 4.700 ( 0.000 14.325 5.233) 15.251 5.369 ( 0.000 7.937 -2.675) 8.376 5.369 ( 0.000 7.937 2.675) 8.376 5.630 ( 0.000 18.192 -5.115) 18.897 5.630 ( 0.000 18.192 5.115) 18.897 5.920 ( 0.000 0.215 -8.931) 8.934 5.920 ( 0.000 0.215 8.931) 8.934 6.066 ( 0.000 -5.703 -0.508) 5.725 6.066 ( 0.000 -5.703 0.508) 5.725 6.527 ( 0.000 9.607 -6.383) 11.534 6.527 ( 0.000 9.607 6.383) 11.534 6.921 ( 0.000 -11.358 -7.943) 13.859 6.921 ( 0.000 -11.358 7.943) 13.859 7.115 ( 0.000 -3.429 -4.691) 5.811 7.115 ( 0.000 -3.429 4.691) 5.811 7.416 ( 0.000 -10.324 -3.144) 10.792 7.416 ( 0.000 -10.324 3.144) 10.792 7.964 ( 0.000 -4.760 -0.036) 4.760 7.964 ( 0.000 -4.760 0.036) 4.760 8.395 ( 0.000 8.382 -16.737) 18.719 8.395 ( 0.000 8.382 16.737) 18.719 8.566 ( 0.000 -9.656 -6.142) 11.444 8.566 ( 0.000 -9.656 6.142) 11.444 8.980 ( 0.000 -1.766 -0.626) 1.873 8.980 ( 0.000 -1.766 0.626) 1.873 9.256 ( 0.000 -7.522 -7.748) 10.799 9.256 ( 0.000 -7.522 7.748) 10.799 9.882 ( 0.000 8.974 -3.577) 9.661 9.882 ( 0.000 8.974 3.577) 9.661 10.249 ( 0.000 -6.545 -5.369) 8.466 10.249 ( 0.000 -6.545 5.369) 8.466 10.693 ( 0.000 -1.760 -1.968) 2.640 10.693 ( 0.000 -1.760 1.968) 2.640 11.037 ( 0.000 4.812 -1.383) 5.007 11.037 ( 0.000 4.812 1.383) 5.007 11.188 ( 0.000 2.120 -4.898) 5.337 11.188 ( 0.000 2.120 4.898) 5.337 11.332 ( 0.000 7.624 -0.600) 7.647 11.332 ( 0.000 7.624 0.600) 7.647 11.594 ( 0.000 -8.627 -0.388) 8.636 11.594 ( 0.000 -8.627 0.388) 8.636 11.891 ( 0.000 13.262 -3.403) 13.691 11.891 ( 0.000 13.262 3.403) 13.691 12.348 ( 0.000 -2.605 -1.631) 3.074 12.348 ( 0.000 -2.605 1.631) 3.074 12.683 ( 0.000 3.870 -5.291) 6.555 12.683 ( 0.000 3.870 5.291) 6.555 12.916 ( 0.000 9.050 -1.148) 9.122 12.916 ( 0.000 9.050 1.148) 9.122 13.278 ( 0.000 -12.609 -1.889) 12.749 13.278 ( 0.000 -12.609 1.889) 12.749 13.613 ( 0.000 -7.919 -0.900) 7.970 13.613 ( 0.000 -7.919 0.900) 7.970 14.283 ( 0.000 1.533 -4.225) 4.494 14.283 ( 0.000 1.533 4.225) 4.494 14.750 ( 0.000 -1.833 -6.968) 7.205 14.750 ( 0.000 -1.833 6.968) 7.205 15.420 ( 0.000 3.587 -1.929) 4.073 15.420 ( 0.000 3.587 1.929) 4.073 15.905 ( 0.000 -8.994 -7.067) 11.438 15.905 ( 0.000 -8.994 7.067) 11.438 19.636 ( 0.000 -0.836 -1.557) 1.768 19.636 ( 0.000 -0.836 1.557) 1.768 20.228 ( 0.000 -1.725 -1.006) 1.997 20.228 ( 0.000 -1.725 1.006) 1.997 21.032 ( 0.000 9.473 -0.192) 9.475 21.032 ( 0.000 9.473 0.192) 9.475 21.131 ( 0.000 8.119 -4.351) 9.211 21.131 ( 0.000 8.119 4.351) 9.211 21.905 ( 0.000 -2.368 -0.310) 2.388 21.905 ( 0.000 -2.368 0.310) 2.388 22.091 ( 0.000 0.554 -2.391) 2.454 22.091 ( 0.000 0.554 2.391) 2.454 23.522 ( 0.000 1.531 -0.291) 1.558 23.522 ( 0.000 1.531 0.291) 1.558 23.848 ( 0.000 -7.940 -4.762) 9.259 23.848 ( 0.000 -7.940 4.762) 9.259 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( -1.182 3.318 -4.594) 5.789 3.644 ( -1.182 3.318 4.594) 5.789 4.030 ( -7.846 -0.113 -0.927) 7.901 4.030 ( -7.846 -0.113 0.927) 7.901 4.520 ( 1.066 15.373 -2.673) 15.641 4.520 ( 1.066 15.373 2.673) 15.641 4.686 ( -1.230 13.876 -5.429) 14.951 4.686 ( -1.230 13.876 5.429) 14.951 5.432 ( 5.855 10.059 -3.128) 12.052 5.432 ( 5.855 10.059 3.128) 12.052 5.645 ( 0.936 17.178 -4.990) 17.913 5.645 ( 0.936 17.178 4.990) 17.913 5.948 ( 2.601 1.602 -6.712) 7.375 5.948 ( 2.601 1.602 6.712) 7.375 6.084 ( 1.160 -3.738 -0.402) 3.934 6.084 ( 1.160 -3.738 0.402) 3.934 6.430 ( -6.595 7.041 -10.675) 14.388 6.430 ( -6.595 7.041 10.675) 14.388 6.896 ( -4.243 -16.260 -2.943) 17.060 6.896 ( -4.243 -16.260 2.943) 17.060 7.232 ( 11.484 0.868 -3.424) 12.015 7.232 ( 11.484 0.868 3.424) 12.015 7.486 ( 6.561 -7.453 -1.713) 10.076 7.486 ( 6.561 -7.453 1.713) 10.076 7.897 ( -6.596 -2.908 -1.830) 7.438 7.897 ( -6.596 -2.908 1.830) 7.438 8.337 ( -5.600 -1.640 -10.389) 11.916 8.337 ( -5.600 -1.640 10.389) 11.916 8.558 ( -0.640 -6.417 -5.547) 8.506 8.558 ( -0.640 -6.417 5.547) 8.506 8.924 ( -3.784 -1.410 -3.394) 5.275 8.924 ( -3.784 -1.410 3.394) 5.275 9.393 ( 10.974 -3.049 -4.620) 12.291 9.393 ( 10.974 -3.049 4.620) 12.291 9.881 ( -0.199 7.961 -3.340) 8.636 9.881 ( -0.199 7.961 3.340) 8.636 10.266 ( 2.018 -6.035 -4.787) 7.963 10.266 ( 2.018 -6.035 4.787) 7.963 10.648 ( -4.867 -1.849 -2.063) 5.600 10.648 ( -4.867 -1.849 2.063) 5.600 11.031 ( -0.021 4.620 -1.753) 4.942 11.031 ( -0.021 4.620 1.753) 4.942 11.224 ( 3.139 1.163 -4.584) 5.676 11.224 ( 3.139 1.163 4.584) 5.676 11.319 ( -1.164 6.898 -1.225) 7.102 11.319 ( -1.164 6.898 1.225) 7.102 11.531 ( -5.484 -4.733 -2.207) 7.573 11.531 ( -5.484 -4.733 2.207) 7.573 11.916 ( 1.996 9.227 -2.993) 9.903 11.916 ( 1.996 9.227 2.993) 9.903 12.345 ( -0.287 -3.037 -1.494) 3.397 12.345 ( -0.287 -3.037 1.494) 3.397 12.670 ( -1.140 4.299 -4.801) 6.545 12.670 ( -1.140 4.299 4.801) 6.545 12.913 ( -0.201 7.799 -0.820) 7.844 12.913 ( -0.201 7.799 0.820) 7.844 13.288 ( 0.770 -10.321 -1.188) 10.417 13.288 ( 0.770 -10.321 1.188) 10.417 13.603 ( -0.875 -8.272 -0.668) 8.344 13.603 ( -0.875 -8.272 0.668) 8.344 14.317 ( 3.163 2.407 -3.929) 5.589 14.317 ( 3.163 2.407 3.929) 5.589 14.732 ( -1.744 -2.630 -6.011) 6.789 14.732 ( -1.744 -2.630 6.011) 6.789 15.452 ( 3.136 3.620 -2.256) 5.294 15.452 ( 3.136 3.620 2.256) 5.294 15.875 ( -2.856 -8.953 -6.288) 11.307 15.875 ( -2.856 -8.953 6.288) 11.307 19.691 ( 5.441 -0.841 -1.722) 5.769 19.691 ( 5.441 -0.841 1.722) 5.769 20.173 ( -5.448 -1.924 -1.486) 5.966 20.173 ( -5.448 -1.924 1.486) 5.966 21.032 ( 0.043 9.682 -0.354) 9.689 21.032 ( 0.043 9.682 0.354) 9.689 21.135 ( 0.272 8.032 -3.450) 8.746 21.135 ( 0.272 8.032 3.450) 8.746 21.918 ( 1.173 -1.871 -0.435) 2.250 21.918 ( 1.173 -1.871 0.435) 2.250 22.077 ( -1.328 -0.002 -2.111) 2.494 22.077 ( -1.328 -0.002 2.111) 2.494 23.536 ( 1.315 1.725 -0.678) 2.272 23.536 ( 1.315 1.725 0.678) 2.272 23.834 ( -1.297 -8.018 -4.058) 9.080 23.834 ( -1.297 -8.018 4.058) 9.080 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.638 ( 0.607 3.531 -2.486) 4.361 3.638 ( 0.607 3.531 2.486) 4.361 3.878 ( -5.783 -4.128 -1.093) 7.189 3.878 ( -5.783 -4.128 1.093) 7.189 4.545 ( 1.132 17.452 -2.117) 17.616 4.545 ( 1.132 17.452 2.117) 17.616 4.660 ( -1.177 11.486 -3.227) 11.988 4.660 ( -1.177 11.486 3.227) 11.988 5.556 ( 5.954 12.887 -3.610) 14.648 5.556 ( 5.954 12.887 3.610) 14.648 5.638 ( -2.181 15.057 -3.979) 15.726 5.638 ( -2.181 15.057 3.979) 15.726 6.007 ( 3.002 4.541 -4.161) 6.852 6.007 ( 3.002 4.541 4.161) 6.852 6.078 ( -1.779 1.552 -1.497) 2.796 6.078 ( -1.779 1.552 1.497) 2.796 6.351 ( -1.439 1.753 -6.782) 7.151 6.351 ( -1.439 1.753 6.782) 7.151 6.811 ( -2.978 -18.674 -1.414) 18.963 6.811 ( -2.978 -18.674 1.414) 18.963 7.452 ( 8.968 3.114 -3.065) 9.976 7.452 ( 8.968 3.114 3.065) 9.976 7.639 ( 7.258 -1.570 -1.172) 7.518 7.639 ( 7.258 -1.570 1.172) 7.518 7.742 ( -7.769 -2.205 -2.375) 8.417 7.742 ( -7.769 -2.205 2.375) 8.417 8.208 ( -5.949 -16.938 -2.593) 18.138 8.208 ( -5.949 -16.938 2.593) 18.138 8.549 ( -0.213 1.972 -2.210) 2.970 8.549 ( -0.213 1.972 2.210) 2.970 8.870 ( -1.507 -5.190 -1.850) 5.712 8.870 ( -1.507 -5.190 1.850) 5.712 9.582 ( 6.414 7.120 -0.898) 9.624 9.582 ( 6.414 7.120 0.898) 9.624 9.872 ( -0.622 2.578 -1.769) 3.188 9.872 ( -0.622 2.578 1.769) 3.188 10.342 ( 6.001 -4.052 -2.960) 7.823 10.342 ( 6.001 -4.052 2.960) 7.823 10.511 ( -8.358 -2.927 -1.911) 9.060 10.511 ( -8.358 -2.927 1.911) 9.060 11.043 ( 0.822 3.130 -1.068) 3.408 11.043 ( 0.822 3.130 1.068) 3.408 11.272 ( 0.232 0.276 -1.936) 1.969 11.272 ( 0.232 0.276 1.936) 1.969 11.318 ( 2.719 5.181 -0.616) 5.884 11.318 ( 2.719 5.181 0.616) 5.884 11.419 ( -5.290 -0.240 -1.250) 5.442 11.419 ( -5.290 -0.240 1.250) 5.442 11.949 ( 1.011 5.333 -1.194) 5.558 11.949 ( 1.011 5.333 1.194) 5.558 12.338 ( -0.288 -3.751 -0.681) 3.823 12.338 ( -0.288 -3.751 0.681) 3.823 12.650 ( -0.667 5.061 -2.104) 5.521 12.650 ( -0.667 5.061 2.104) 5.521 12.911 ( -0.052 6.359 -0.337) 6.368 12.911 ( -0.052 6.359 0.337) 6.368 13.300 ( 0.349 -7.299 -0.275) 7.313 13.300 ( 0.349 -7.299 0.275) 7.313 13.589 ( -0.443 -8.779 -0.229) 8.794 13.589 ( -0.443 -8.779 0.229) 8.794 14.379 ( 2.317 4.561 -2.041) 5.508 14.379 ( 2.317 4.561 2.041) 5.508 14.694 ( -1.568 -4.643 -2.756) 5.623 14.694 ( -1.568 -4.643 2.756) 5.623 15.521 ( 2.868 4.268 -1.693) 5.413 15.521 ( 2.868 4.268 1.693) 5.413 15.813 ( -2.639 -9.493 -3.166) 10.350 15.813 ( -2.639 -9.493 3.166) 10.350 19.828 ( 7.723 -0.358 -1.777) 7.933 19.828 ( 7.723 -0.358 1.777) 7.933 20.036 ( -7.712 -2.717 -1.759) 8.364 20.036 ( -7.712 -2.717 1.759) 8.364 21.033 ( 0.026 9.950 -0.193) 9.952 21.033 ( 0.026 9.950 0.193) 9.952 21.139 ( 0.151 7.949 -1.280) 8.053 21.139 ( 0.151 7.949 1.280) 8.053 21.943 ( 1.078 -0.567 -0.406) 1.284 21.943 ( 1.078 -0.567 0.406) 1.284 22.049 ( -1.170 -1.400 -1.047) 2.103 22.049 ( -1.170 -1.400 1.047) 2.103 23.562 ( 0.969 2.231 -0.513) 2.486 23.562 ( 0.969 2.231 0.513) 2.486 23.808 ( -0.961 -8.339 -1.744) 8.574 23.808 ( -0.961 -8.339 1.744) 8.574 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.703 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 -0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 5.951 ( 0.000 -0.000 -0.000) 0.000 5.951 ( 0.000 -0.000 0.000) 0.000 5.967 ( 0.000 0.000 -0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 6.687 ( 0.000 -0.000 0.000) 0.000 6.687 ( 0.000 0.000 0.000) 0.000 6.723 ( 0.000 -0.000 -0.000) 0.000 6.723 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 -0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.311 ( 0.000 0.000 0.000) 0.000 7.311 ( 0.000 0.000 0.000) 0.000 7.916 ( 0.000 0.000 0.000) 0.000 7.916 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 0.000) 0.000 8.955 ( 0.000 -0.000 0.000) 0.000 8.955 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000 10.124 ( 0.000 0.000 0.000) 0.000 10.124 ( 0.000 0.000 0.000) 0.000 10.674 ( 0.000 0.000 0.000) 0.000 10.674 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 -0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 11.151 ( 0.000 -0.000 -0.000) 0.000 11.151 ( 0.000 -0.000 0.000) 0.000 11.420 ( 0.000 0.000 0.000) 0.000 11.420 ( 0.000 0.000 0.000) 0.000 11.501 ( 0.000 -0.000 0.000) 0.000 11.501 ( 0.000 0.000 0.000) 0.000 12.105 ( 0.000 0.000 0.000) 0.000 12.105 ( 0.000 0.000 0.000) 0.000 12.257 ( 0.000 0.000 0.000) 0.000 12.257 ( 0.000 0.000 0.000) 0.000 12.803 ( 0.000 -0.000 0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 12.930 ( 0.000 -0.000 0.000) 0.000 12.930 ( 0.000 0.000 0.000) 0.000 13.179 ( 0.000 -0.000 0.000) 0.000 13.179 ( 0.000 -0.000 0.000) 0.000 13.506 ( 0.000 0.000 0.000) 0.000 13.506 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.717 ( 0.000 0.000 0.000) 0.000 14.717 ( 0.000 -0.000 0.000) 0.000 15.462 ( 0.000 0.000 0.000) 0.000 15.462 ( 0.000 0.000 0.000) 0.000 15.807 ( 0.000 0.000 0.000) 0.000 15.807 ( 0.000 0.000 0.000) 0.000 19.628 ( 0.000 0.000 0.000) 0.000 19.628 ( 0.000 0.000 0.000) 0.000 20.209 ( 0.000 0.000 0.000) 0.000 20.209 ( 0.000 0.000 0.000) 0.000 21.155 ( 0.000 0.000 0.000) 0.000 21.155 ( 0.000 0.000 0.000) 0.000 21.199 ( 0.000 0.000 0.000) 0.000 21.199 ( 0.000 0.000 0.000) 0.000 21.882 ( 0.000 0.000 0.000) 0.000 21.882 ( 0.000 0.000 0.000) 0.000 22.096 ( 0.000 -0.000 0.000) 0.000 22.096 ( 0.000 0.000 0.000) 0.000 23.550 ( 0.000 0.000 0.000) 0.000 23.550 ( 0.000 0.000 0.000) 0.000 23.749 ( 0.000 0.000 0.000) 0.000 23.749 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( -1.278 0.000 0.000) 1.278 3.684 ( -1.278 0.000 0.000) 1.278 4.023 ( -10.040 0.000 0.000) 10.040 4.023 ( -10.040 0.000 0.000) 10.040 4.678 ( 1.000 0.000 0.000) 1.000 4.678 ( 1.000 0.000 0.000) 1.000 4.850 ( -1.692 0.000 0.000) 1.692 4.850 ( -1.692 0.000 0.000) 1.692 5.539 ( 7.705 0.000 0.000) 7.705 5.539 ( 7.705 0.000 0.000) 7.705 5.829 ( -1.230 -0.000 -0.000) 1.230 5.829 ( -1.230 0.000 0.000) 1.230 6.011 ( 4.238 -0.000 -0.000) 4.238 6.011 ( 4.238 -0.000 0.000) 4.238 6.017 ( 4.918 0.000 -0.000) 4.918 6.017 ( 4.918 0.000 0.000) 4.918 6.562 ( -8.695 -0.000 0.000) 8.695 6.562 ( -8.695 0.000 0.000) 8.695 6.643 ( -6.926 -0.000 0.000) 6.926 6.643 ( -6.926 0.000 0.000) 6.926 7.274 ( 14.989 -0.000 0.000) 14.989 7.274 ( 14.989 -0.000 0.000) 14.989 7.390 ( 7.258 0.000 0.000) 7.258 7.390 ( 7.258 0.000 0.000) 7.258 7.874 ( -4.380 0.000 0.000) 4.380 7.874 ( -4.380 0.000 0.000) 4.380 8.264 ( -15.117 0.000 0.000) 15.117 8.264 ( -15.117 0.000 0.000) 15.117 8.544 ( 2.758 0.000 0.000) 2.758 8.544 ( 2.758 0.000 0.000) 2.758 8.897 ( -5.625 -0.000 0.000) 5.625 8.897 ( -5.625 0.000 0.000) 5.625 9.347 ( 16.532 0.000 0.000) 16.532 9.347 ( 16.532 0.000 0.000) 16.532 10.008 ( -3.135 0.000 0.000) 3.135 10.008 ( -3.135 0.000 0.000) 3.135 10.164 ( 4.233 -0.000 0.000) 4.233 10.164 ( 4.233 0.000 0.000) 4.233 10.627 ( -5.015 0.000 0.000) 5.015 10.627 ( -5.015 0.000 0.000) 5.015 11.136 ( 0.785 0.000 -0.000) 0.785 11.136 ( 0.785 0.000 0.000) 0.785 11.151 ( -0.019 -0.000 -0.000) 0.019 11.151 ( -0.019 -0.000 0.000) 0.019 11.394 ( -1.956 0.000 0.000) 1.956 11.394 ( -1.956 0.000 0.000) 1.956 11.478 ( -2.286 0.000 0.000) 2.286 11.478 ( -2.286 0.000 0.000) 2.286 12.113 ( 0.944 0.000 0.000) 0.944 12.113 ( 0.944 0.000 0.000) 0.944 12.237 ( -1.906 0.000 0.000) 1.906 12.237 ( -1.906 0.000 0.000) 1.906 12.806 ( 0.292 -0.000 0.000) 0.292 12.806 ( 0.292 0.000 0.000) 0.292 12.883 ( -3.310 -0.000 0.000) 3.310 12.883 ( -3.310 0.000 0.000) 3.310 13.244 ( 5.189 -0.000 0.000) 5.189 13.244 ( 5.189 0.000 0.000) 5.189 13.480 ( -2.455 0.000 0.000) 2.455 13.480 ( -2.455 0.000 0.000) 2.455 14.355 ( 4.684 0.000 0.000) 4.684 14.355 ( 4.684 0.000 0.000) 4.684 14.686 ( -3.242 -0.000 0.000) 3.242 14.686 ( -3.242 -0.000 0.000) 3.242 15.496 ( 3.448 0.000 0.000) 3.448 15.496 ( 3.448 0.000 0.000) 3.448 15.777 ( -3.044 0.000 0.000) 3.044 15.777 ( -3.044 0.000 0.000) 3.044 19.683 ( 5.480 0.000 0.000) 5.480 19.683 ( 5.480 0.000 0.000) 5.480 20.152 ( -5.664 0.000 0.000) 5.664 20.152 ( -5.664 0.000 0.000) 5.664 21.162 ( 0.645 0.000 0.000) 0.645 21.162 ( 0.645 0.000 0.000) 0.645 21.196 ( -0.278 0.000 0.000) 0.278 21.196 ( -0.278 0.000 0.000) 0.278 21.902 ( 1.982 0.000 0.000) 1.982 21.902 ( 1.982 0.000 0.000) 1.982 22.074 ( -2.154 -0.000 0.000) 2.154 22.074 ( -2.154 0.000 0.000) 2.154 23.570 ( 1.971 0.000 0.000) 1.971 23.570 ( 1.971 0.000 0.000) 1.971 23.730 ( -1.834 -0.000 0.000) 1.834 23.730 ( -1.834 0.000 0.000) 1.834 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( 3.106 -0.000 0.000) 3.106 3.693 ( 3.106 0.000 0.000) 3.106 3.818 ( -9.516 0.000 0.000) 9.516 3.818 ( -9.516 0.000 0.000) 9.516 4.722 ( 3.420 0.000 0.000) 3.420 4.722 ( 3.420 0.000 0.000) 3.420 4.795 ( -3.683 0.000 0.000) 3.683 4.795 ( -3.683 0.000 0.000) 3.683 5.692 ( 7.058 0.000 0.000) 7.058 5.692 ( 7.058 0.000 0.000) 7.058 5.793 ( -3.204 0.000 0.000) 3.204 5.793 ( -3.204 0.000 0.000) 3.204 6.094 ( 2.549 -0.000 -0.000) 2.549 6.094 ( 2.549 -0.000 0.000) 2.549 6.096 ( 2.947 0.000 -0.000) 2.947 6.096 ( 2.947 0.000 0.000) 2.947 6.446 ( -1.692 -0.000 0.000) 1.692 6.446 ( -1.692 0.000 0.000) 1.692 6.505 ( -6.332 -0.000 0.000) 6.332 6.505 ( -6.332 0.000 0.000) 6.332 7.561 ( 9.721 -0.000 0.000) 9.721 7.561 ( 9.721 0.000 0.000) 9.721 7.593 ( 16.886 -0.000 0.000) 16.886 7.593 ( 16.886 0.000 0.000) 16.886 7.750 ( -7.861 0.000 0.000) 7.861 7.750 ( -7.861 0.000 0.000) 7.861 7.940 ( -17.455 0.000 0.000) 17.455 7.940 ( -17.455 0.000 0.000) 17.455 8.629 ( 5.872 0.000 0.000) 5.872 8.629 ( 5.872 0.000 0.000) 5.872 8.762 ( -7.492 -0.000 0.000) 7.492 8.762 ( -7.492 0.000 0.000) 7.492 9.672 ( 15.232 0.000 0.000) 15.232 9.672 ( 15.232 0.000 0.000) 15.232 9.901 ( -8.303 0.000 0.000) 8.303 9.901 ( -8.303 0.000 0.000) 8.303 10.289 ( 8.592 0.000 0.000) 8.592 10.289 ( 8.592 0.000 0.000) 8.592 10.478 ( -9.825 0.000 0.000) 9.825 10.478 ( -9.825 0.000 0.000) 9.825 11.147 ( 0.254 0.000 -0.000) 0.254 11.147 ( 0.254 0.000 0.000) 0.254 11.150 ( -0.077 -0.000 -0.000) 0.077 11.150 ( -0.077 0.000 0.000) 0.077 11.379 ( 0.924 0.000 0.000) 0.924 11.379 ( 0.924 0.000 0.000) 0.924 11.422 ( -3.022 0.000 0.000) 3.022 11.422 ( -3.022 0.000 0.000) 3.022 12.143 ( 2.105 -0.000 0.000) 2.105 12.143 ( 2.105 0.000 0.000) 2.105 12.191 ( -2.632 -0.000 0.000) 2.632 12.191 ( -2.632 0.000 0.000) 2.632 12.814 ( 0.561 -0.000 0.000) 0.561 12.814 ( 0.561 0.000 0.000) 0.561 12.834 ( -1.676 -0.000 0.000) 1.676 12.834 ( -1.676 0.000 0.000) 1.676 13.342 ( 4.564 -0.000 0.000) 4.564 13.342 ( 4.564 0.000 0.000) 4.564 13.420 ( -3.572 -0.000 0.000) 3.572 13.420 ( -3.572 0.000 0.000) 3.572 14.470 ( 6.657 0.000 0.000) 6.657 14.470 ( 6.657 0.000 0.000) 6.657 14.595 ( -5.885 -0.000 0.000) 5.885 14.595 ( -5.885 -0.000 0.000) 5.885 15.587 ( 5.512 -0.000 0.000) 5.512 15.587 ( 5.512 0.000 0.000) 5.512 15.694 ( -5.214 -0.000 0.000) 5.214 15.694 ( -5.214 0.000 0.000) 5.214 19.827 ( 8.868 0.000 0.000) 8.868 19.827 ( 8.868 0.000 0.000) 8.868 20.005 ( -8.960 0.000 0.000) 8.960 20.005 ( -8.960 0.000 0.000) 8.960 21.176 ( 0.709 0.000 0.000) 0.709 21.176 ( 0.709 0.000 0.000) 0.709 21.188 ( -0.502 -0.000 0.000) 0.502 21.188 ( -0.502 0.000 0.000) 0.502 21.953 ( 3.210 0.000 0.000) 3.210 21.953 ( 3.210 0.000 0.000) 3.210 22.019 ( -3.313 -0.000 0.000) 3.313 22.019 ( -3.313 0.000 0.000) 3.313 23.621 ( 3.084 -0.000 0.000) 3.084 23.621 ( 3.084 0.000 0.000) 3.084 23.682 ( -3.004 -0.000 0.000) 3.004 23.682 ( -3.004 0.000 0.000) 3.004 =================== 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 3/33600 10.0 1406.199 1507.948 978.328 0.000 0.000 -0.000 3/33600 20.0 1037.397 1219.083 1199.588 0.000 0.000 -0.000 3/33600 30.0 621.107 640.524 695.692 0.000 0.000 -0.000 3/33600 40.0 336.286 358.706 414.571 0.000 0.000 -0.000 3/33600 50.0 186.796 209.724 249.478 0.000 0.000 -0.000 3/33600 60.0 111.793 132.352 158.911 0.000 0.000 -0.000 3/33600 70.0 72.352 90.074 108.455 0.000 0.000 -0.000 3/33600 80.0 50.199 65.299 78.691 0.000 0.000 -0.000 3/33600 90.0 36.912 49.799 60.011 0.000 0.000 -0.000 3/33600 100.0 28.455 39.546 47.627 0.000 0.000 -0.000 3/33600 110.0 22.787 32.438 39.027 0.000 0.000 -0.000 3/33600 120.0 18.818 27.315 32.818 0.000 0.000 -0.000 3/33600 130.0 15.931 23.496 28.187 0.000 0.000 -0.000 3/33600 140.0 13.764 20.569 24.633 0.000 0.000 -0.000 3/33600 150.0 12.092 18.270 21.842 0.000 0.000 -0.000 3/33600 160.0 10.770 16.425 19.602 0.000 0.000 -0.000 3/33600 170.0 9.705 14.918 17.773 0.000 0.000 -0.000 3/33600 180.0 8.830 13.667 16.256 0.000 0.000 -0.000 3/33600 190.0 8.101 12.613 14.979 0.000 0.000 -0.000 3/33600 200.0 7.484 11.715 13.891 0.000 0.000 -0.000 3/33600 210.0 6.957 10.942 12.955 0.000 0.000 -0.000 3/33600 220.0 6.502 10.268 12.141 0.000 0.000 -0.000 3/33600 230.0 6.105 9.677 11.427 0.000 0.000 -0.000 3/33600 240.0 5.755 9.153 10.796 0.000 0.000 -0.000 3/33600 250.0 5.445 8.687 10.234 0.000 0.000 -0.000 3/33600 260.0 5.168 8.268 9.731 0.000 0.000 -0.000 3/33600 270.0 4.919 7.890 9.278 0.000 0.000 -0.000 3/33600 280.0 4.695 7.548 8.867 0.000 0.000 -0.000 3/33600 290.0 4.491 7.236 8.493 0.000 0.000 -0.000 3/33600 300.0 4.305 6.950 8.151 0.000 0.000 -0.000 3/33600 310.0 4.134 6.687 7.837 0.000 0.000 -0.000 3/33600 320.0 3.978 6.445 7.548 0.000 0.000 -0.000 3/33600 330.0 3.833 6.221 7.281 0.000 0.000 -0.000 3/33600 340.0 3.699 6.013 7.032 0.000 0.000 -0.000 3/33600 350.0 3.575 5.819 6.802 0.000 0.000 -0.000 3/33600 360.0 3.459 5.637 6.586 0.000 0.000 -0.000 3/33600 370.0 3.351 5.468 6.385 0.000 0.000 -0.000 3/33600 380.0 3.249 5.309 6.196 0.000 0.000 -0.000 3/33600 390.0 3.154 5.159 6.019 0.000 0.000 -0.000 3/33600 400.0 3.065 5.018 5.852 0.000 0.000 -0.000 3/33600 410.0 2.981 4.885 5.694 0.000 0.000 -0.000 3/33600 420.0 2.901 4.759 5.545 0.000 0.000 -0.000 3/33600 430.0 2.826 4.639 5.404 0.000 0.000 -0.000 3/33600 440.0 2.755 4.526 5.271 0.000 0.000 -0.000 3/33600 450.0 2.687 4.419 5.144 0.000 0.000 -0.000 3/33600 460.0 2.623 4.316 5.023 0.000 0.000 -0.000 3/33600 470.0 2.562 4.219 4.908 0.000 0.000 -0.000 3/33600 480.0 2.504 4.126 4.799 0.000 0.000 -0.000 3/33600 490.0 2.448 4.037 4.694 0.000 0.000 -0.000 3/33600 500.0 2.395 3.952 4.594 0.000 0.000 -0.000 3/33600 510.0 2.345 3.870 4.499 0.000 0.000 -0.000 3/33600 520.0 2.296 3.792 4.407 0.000 0.000 -0.000 3/33600 530.0 2.250 3.717 4.319 0.000 0.000 -0.000 3/33600 540.0 2.205 3.646 4.235 0.000 0.000 -0.000 3/33600 550.0 2.162 3.577 4.154 0.000 0.000 -0.000 3/33600 560.0 2.121 3.510 4.076 0.000 0.000 -0.000 3/33600 570.0 2.082 3.446 4.001 0.000 0.000 -0.000 3/33600 580.0 2.044 3.385 3.929 0.000 0.000 -0.000 3/33600 590.0 2.007 3.325 3.860 0.000 0.000 -0.000 3/33600 600.0 1.972 3.268 3.793 0.000 0.000 -0.000 3/33600 610.0 1.938 3.213 3.728 0.000 0.000 -0.000 3/33600 620.0 1.905 3.159 3.665 0.000 0.000 -0.000 3/33600 630.0 1.873 3.108 3.605 0.000 0.000 -0.000 3/33600 640.0 1.842 3.058 3.547 0.000 0.000 -0.000 3/33600 650.0 1.813 3.010 3.490 0.000 0.000 -0.000 3/33600 660.0 1.784 2.963 3.436 0.000 0.000 -0.000 3/33600 670.0 1.756 2.918 3.383 0.000 0.000 -0.000 3/33600 680.0 1.729 2.874 3.332 0.000 0.000 -0.000 3/33600 690.0 1.703 2.831 3.282 0.000 0.000 -0.000 3/33600 700.0 1.678 2.790 3.234 0.000 0.000 -0.000 3/33600 710.0 1.653 2.750 3.187 0.000 0.000 -0.000 3/33600 720.0 1.630 2.711 3.142 0.000 0.000 -0.000 3/33600 730.0 1.607 2.673 3.097 0.000 0.000 -0.000 3/33600 740.0 1.584 2.636 3.055 0.000 0.000 -0.000 3/33600 750.0 1.562 2.600 3.013 0.000 0.000 -0.000 3/33600 760.0 1.541 2.565 2.972 0.000 0.000 -0.000 3/33600 770.0 1.520 2.532 2.933 0.000 0.000 -0.000 3/33600 780.0 1.500 2.499 2.894 0.000 0.000 -0.000 3/33600 790.0 1.481 2.467 2.857 0.000 0.000 -0.000 3/33600 800.0 1.462 2.435 2.821 0.000 0.000 -0.000 3/33600 810.0 1.443 2.405 2.785 0.000 0.000 -0.000 3/33600 820.0 1.425 2.375 2.751 0.000 0.000 -0.000 3/33600 830.0 1.407 2.346 2.717 0.000 0.000 -0.000 3/33600 840.0 1.390 2.318 2.684 0.000 0.000 -0.000 3/33600 850.0 1.373 2.290 2.652 0.000 0.000 -0.000 3/33600 860.0 1.357 2.263 2.620 0.000 0.000 -0.000 3/33600 870.0 1.341 2.237 2.590 0.000 0.000 -0.000 3/33600 880.0 1.326 2.211 2.560 0.000 0.000 -0.000 3/33600 890.0 1.310 2.186 2.531 0.000 0.000 -0.000 3/33600 900.0 1.295 2.162 2.502 0.000 0.000 -0.000 3/33600 910.0 1.281 2.138 2.474 0.000 0.000 -0.000 3/33600 920.0 1.267 2.114 2.447 0.000 0.000 -0.000 3/33600 930.0 1.253 2.091 2.420 0.000 0.000 -0.000 3/33600 940.0 1.239 2.069 2.394 0.000 0.000 -0.000 3/33600 950.0 1.226 2.047 2.369 0.000 0.000 -0.000 3/33600 960.0 1.213 2.025 2.344 0.000 0.000 -0.000 3/33600 970.0 1.200 2.004 2.319 0.000 0.000 -0.000 3/33600 980.0 1.188 1.984 2.295 0.000 0.000 -0.000 3/33600 990.0 1.175 1.963 2.272 0.000 0.000 -0.000 3/33600 1000.0 1.163 1.944 2.249 0.000 0.000 -0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:29:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|