----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:18:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.082861189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.570968820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.026278990000000 Atomic positions (fractional): *1 Lu 0.12151064511424 0.25000000000000 0.77416013660438 174.967 *2 Lu 0.13464310276923 0.25000000000000 0.44342589564245 174.967 3 Lu 0.36535689723076 0.75000000000000 0.94342589564245 174.967 4 Lu 0.37848935488576 0.75000000000000 0.27416013660438 174.967 5 Lu 0.62151064511424 0.25000000000000 0.72583986339562 174.967 6 Lu 0.63464310276923 0.25000000000000 0.05657410435755 174.967 7 Lu 0.86535689723077 0.75000000000000 0.55657410435755 174.967 8 Lu 0.87848935488576 0.75000000000000 0.22583986339562 174.967 *9 Ti 0.16853430567382 0.25000000000000 0.11608164957970 47.867 10 Ti 0.33146569432618 0.75000000000000 0.61608164957970 47.867 11 Ti 0.66853430567382 0.25000000000000 0.38391835042030 47.867 12 Ti 0.83146569432618 0.75000000000000 0.88391835042030 47.867 *13 O 0.00529159471322 0.75000000000000 0.39454260696189 15.999 *14 O 0.99674675350892 0.25000000000000 0.15318538387861 15.999 *15 O 0.22552986954150 0.25000000000000 0.95214302432465 15.999 *16 O 0.23938999821428 0.75000000000000 0.11338153649157 15.999 *17 O 0.25008986613455 0.75000000000000 0.77089495015137 15.999 18 O 0.24991013386545 0.25000000000000 0.27089495015137 15.999 19 O 0.26061000178572 0.25000000000000 0.61338153649157 15.999 20 O 0.27447013045850 0.75000000000000 0.45214302432465 15.999 21 O 0.50325324649108 0.75000000000000 0.65318538387861 15.999 22 O 0.49470840528678 0.25000000000000 0.89454260696189 15.999 23 O 0.50529159471322 0.75000000000000 0.10545739303811 15.999 24 O 0.49674675350892 0.25000000000000 0.34681461612139 15.999 25 O 0.72552986954150 0.25000000000000 0.54785697567535 15.999 26 O 0.73938999821428 0.75000000000000 0.38661846350843 15.999 27 O 0.75008986613455 0.75000000000000 0.72910504984863 15.999 28 O 0.74991013386545 0.25000000000000 0.22910504984863 15.999 29 O 0.76061000178572 0.25000000000000 0.88661846350843 15.999 30 O 0.77447013045850 0.75000000000000 0.04785697567535 15.999 31 O 0.00325324649108 0.75000000000000 0.84681461612139 15.999 32 O 0.99470840528678 0.25000000000000 0.60545739303811 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.082861189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.570968820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.026278990000000 Atomic positions (fractional): *1 Lu 0.12151064511424 0.25000000000000 0.77416013660438 174.967 > 1 *2 Lu 0.13464310276923 0.25000000000000 0.44342589564245 174.967 > 2 3 Lu 0.36535689723076 0.75000000000000 0.94342589564245 174.967 > 3 4 Lu 0.37848935488576 0.75000000000000 0.27416013660438 174.967 > 4 5 Lu 0.62151064511424 0.25000000000000 0.72583986339562 174.967 > 5 6 Lu 0.63464310276923 0.25000000000000 0.05657410435755 174.967 > 6 7 Lu 0.86535689723077 0.75000000000000 0.55657410435755 174.967 > 7 8 Lu 0.87848935488576 0.75000000000000 0.22583986339562 174.967 > 8 *9 Ti 0.16853430567382 0.25000000000000 0.11608164957970 47.867 > 9 10 Ti 0.33146569432618 0.75000000000000 0.61608164957970 47.867 > 10 11 Ti 0.66853430567382 0.25000000000000 0.38391835042030 47.867 > 11 12 Ti 0.83146569432618 0.75000000000000 0.88391835042030 47.867 > 12 *13 O 0.00529159471322 0.75000000000000 0.39454260696189 15.999 > 13 *14 O 0.99674675350892 0.25000000000000 0.15318538387861 15.999 > 14 *15 O 0.22552986954150 0.25000000000000 0.95214302432465 15.999 > 15 *16 O 0.23938999821428 0.75000000000000 0.11338153649157 15.999 > 16 *17 O 0.25008986613455 0.75000000000000 0.77089495015137 15.999 > 17 18 O 0.24991013386545 0.25000000000000 0.27089495015137 15.999 > 18 19 O 0.26061000178572 0.25000000000000 0.61338153649157 15.999 > 19 20 O 0.27447013045850 0.75000000000000 0.45214302432465 15.999 > 20 21 O 0.50325324649108 0.75000000000000 0.65318538387861 15.999 > 21 22 O 0.49470840528678 0.25000000000000 0.89454260696189 15.999 > 22 23 O 0.50529159471322 0.75000000000000 0.10545739303811 15.999 > 23 24 O 0.49674675350892 0.25000000000000 0.34681461612139 15.999 > 24 25 O 0.72552986954150 0.25000000000000 0.54785697567535 15.999 > 25 26 O 0.73938999821428 0.75000000000000 0.38661846350843 15.999 > 26 27 O 0.75008986613455 0.75000000000000 0.72910504984863 15.999 > 27 28 O 0.74991013386545 0.25000000000000 0.22910504984863 15.999 > 28 29 O 0.76061000178572 0.25000000000000 0.88661846350843 15.999 > 29 30 O 0.77447013045850 0.75000000000000 0.04785697567535 15.999 > 30 31 O 0.00325324649108 0.75000000000000 0.84681461612139 15.999 > 31 32 O 0.99470840528678 0.25000000000000 0.60545739303811 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.082861189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.712906460000003 0.000000000000000 c 0.000000000000000 0.000000000000000 11.026278990000000 Atomic positions (fractional): *1 Lu 0.12151064511424 0.08333333333333 0.77416013660438 174.967 > 1 2 Lu 0.12151064511424 0.41666666666667 0.77416013660438 174.967 > 1 3 Lu 0.12151064511424 0.75000000000000 0.77416013660438 174.967 > 1 *4 Lu 0.13464310276923 0.08333333333333 0.44342589564245 174.967 > 2 5 Lu 0.13464310276923 0.41666666666667 0.44342589564245 174.967 > 2 6 Lu 0.13464310276923 0.75000000000000 0.44342589564245 174.967 > 2 7 Lu 0.36535689723076 0.25000000000000 0.94342589564245 174.967 > 3 8 Lu 0.36535689723076 0.58333333333333 0.94342589564245 174.967 > 3 9 Lu 0.36535689723076 0.91666666666667 0.94342589564245 174.967 > 3 10 Lu 0.37848935488576 0.25000000000000 0.27416013660438 174.967 > 4 11 Lu 0.37848935488576 0.58333333333333 0.27416013660438 174.967 > 4 12 Lu 0.37848935488576 0.91666666666667 0.27416013660438 174.967 > 4 13 Lu 0.62151064511424 0.08333333333333 0.72583986339562 174.967 > 5 14 Lu 0.62151064511424 0.41666666666667 0.72583986339562 174.967 > 5 15 Lu 0.62151064511424 0.75000000000000 0.72583986339562 174.967 > 5 16 Lu 0.63464310276923 0.08333333333333 0.05657410435755 174.967 > 6 17 Lu 0.63464310276923 0.41666666666667 0.05657410435755 174.967 > 6 18 Lu 0.63464310276923 0.75000000000000 0.05657410435755 174.967 > 6 19 Lu 0.86535689723077 0.25000000000000 0.55657410435755 174.967 > 7 20 Lu 0.86535689723077 0.58333333333333 0.55657410435755 174.967 > 7 21 Lu 0.86535689723077 0.91666666666667 0.55657410435755 174.967 > 7 22 Lu 0.87848935488576 0.25000000000000 0.22583986339562 174.967 > 8 23 Lu 0.87848935488576 0.58333333333333 0.22583986339562 174.967 > 8 24 Lu 0.87848935488576 0.91666666666667 0.22583986339562 174.967 > 8 *25 Ti 0.16853430567382 0.08333333333333 0.11608164957970 47.867 > 9 26 Ti 0.16853430567382 0.41666666666667 0.11608164957970 47.867 > 9 27 Ti 0.16853430567382 0.75000000000000 0.11608164957970 47.867 > 9 28 Ti 0.33146569432618 0.25000000000000 0.61608164957970 47.867 > 10 29 Ti 0.33146569432618 0.58333333333333 0.61608164957970 47.867 > 10 30 Ti 0.33146569432618 0.91666666666667 0.61608164957970 47.867 > 10 31 Ti 0.66853430567382 0.08333333333333 0.38391835042030 47.867 > 11 32 Ti 0.66853430567382 0.41666666666667 0.38391835042030 47.867 > 11 33 Ti 0.66853430567382 0.75000000000000 0.38391835042030 47.867 > 11 34 Ti 0.83146569432618 0.25000000000000 0.88391835042030 47.867 > 12 35 Ti 0.83146569432618 0.58333333333333 0.88391835042030 47.867 > 12 36 Ti 0.83146569432618 0.91666666666667 0.88391835042030 47.867 > 12 *37 O 0.00529159471322 0.25000000000000 0.39454260696189 15.999 > 13 38 O 0.00529159471322 0.58333333333333 0.39454260696189 15.999 > 13 39 O 0.00529159471322 0.91666666666667 0.39454260696189 15.999 > 13 *40 O 0.99674675350892 0.08333333333333 0.15318538387861 15.999 > 14 41 O 0.99674675350892 0.41666666666667 0.15318538387861 15.999 > 14 42 O 0.99674675350892 0.75000000000000 0.15318538387861 15.999 > 14 *43 O 0.22552986954150 0.08333333333333 0.95214302432465 15.999 > 15 44 O 0.22552986954150 0.41666666666667 0.95214302432465 15.999 > 15 45 O 0.22552986954150 0.75000000000000 0.95214302432465 15.999 > 15 *46 O 0.23938999821428 0.25000000000000 0.11338153649157 15.999 > 16 47 O 0.23938999821428 0.58333333333333 0.11338153649157 15.999 > 16 48 O 0.23938999821428 0.91666666666667 0.11338153649157 15.999 > 16 *49 O 0.25008986613455 0.25000000000000 0.77089495015137 15.999 > 17 50 O 0.25008986613455 0.58333333333333 0.77089495015137 15.999 > 17 51 O 0.25008986613455 0.91666666666667 0.77089495015137 15.999 > 17 52 O 0.24991013386545 0.08333333333333 0.27089495015137 15.999 > 18 53 O 0.24991013386545 0.41666666666667 0.27089495015137 15.999 > 18 54 O 0.24991013386545 0.75000000000000 0.27089495015137 15.999 > 18 55 O 0.26061000178572 0.08333333333333 0.61338153649157 15.999 > 19 56 O 0.26061000178572 0.41666666666667 0.61338153649157 15.999 > 19 57 O 0.26061000178572 0.75000000000000 0.61338153649157 15.999 > 19 58 O 0.27447013045850 0.25000000000000 0.45214302432465 15.999 > 20 59 O 0.27447013045850 0.58333333333333 0.45214302432465 15.999 > 20 60 O 0.27447013045850 0.91666666666667 0.45214302432465 15.999 > 20 61 O 0.50325324649108 0.25000000000000 0.65318538387861 15.999 > 21 62 O 0.50325324649108 0.58333333333333 0.65318538387861 15.999 > 21 63 O 0.50325324649108 0.91666666666667 0.65318538387861 15.999 > 21 64 O 0.49470840528678 0.08333333333333 0.89454260696189 15.999 > 22 65 O 0.49470840528678 0.41666666666667 0.89454260696189 15.999 > 22 66 O 0.49470840528678 0.75000000000000 0.89454260696189 15.999 > 22 67 O 0.50529159471322 0.25000000000000 0.10545739303811 15.999 > 23 68 O 0.50529159471322 0.58333333333333 0.10545739303811 15.999 > 23 69 O 0.50529159471322 0.91666666666667 0.10545739303811 15.999 > 23 70 O 0.49674675350892 0.08333333333333 0.34681461612139 15.999 > 24 71 O 0.49674675350892 0.41666666666667 0.34681461612139 15.999 > 24 72 O 0.49674675350892 0.75000000000000 0.34681461612139 15.999 > 24 73 O 0.72552986954150 0.08333333333333 0.54785697567535 15.999 > 25 74 O 0.72552986954150 0.41666666666667 0.54785697567535 15.999 > 25 75 O 0.72552986954150 0.75000000000000 0.54785697567535 15.999 > 25 76 O 0.73938999821428 0.25000000000000 0.38661846350843 15.999 > 26 77 O 0.73938999821428 0.58333333333333 0.38661846350843 15.999 > 26 78 O 0.73938999821428 0.91666666666667 0.38661846350843 15.999 > 26 79 O 0.75008986613455 0.25000000000000 0.72910504984863 15.999 > 27 80 O 0.75008986613455 0.58333333333333 0.72910504984863 15.999 > 27 81 O 0.75008986613455 0.91666666666667 0.72910504984863 15.999 > 27 82 O 0.74991013386545 0.08333333333333 0.22910504984863 15.999 > 28 83 O 0.74991013386545 0.41666666666667 0.22910504984863 15.999 > 28 84 O 0.74991013386545 0.75000000000000 0.22910504984863 15.999 > 28 85 O 0.76061000178572 0.08333333333333 0.88661846350843 15.999 > 29 86 O 0.76061000178572 0.41666666666667 0.88661846350843 15.999 > 29 87 O 0.76061000178572 0.75000000000000 0.88661846350843 15.999 > 29 88 O 0.77447013045850 0.25000000000000 0.04785697567535 15.999 > 30 89 O 0.77447013045850 0.58333333333333 0.04785697567535 15.999 > 30 90 O 0.77447013045850 0.91666666666667 0.04785697567535 15.999 > 30 91 O 0.00325324649108 0.25000000000000 0.84681461612139 15.999 > 31 92 O 0.00325324649108 0.58333333333333 0.84681461612139 15.999 > 31 93 O 0.00325324649108 0.91666666666667 0.84681461612139 15.999 > 31 94 O 0.99470840528678 0.08333333333333 0.60545739303811 15.999 > 32 95 O 0.99470840528678 0.41666666666667 0.60545739303811 15.999 > 32 96 O 0.99470840528678 0.75000000000000 0.60545739303811 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3893646 0.0000000 0.0000000 0.0000000 4.5756923 0.0000000 0.0000000 0.0000000 4.5878906 -------------------------- Born effective charges -------------------------- 1 Lu 4.1368503 0.0000000 -0.1636977 0.0000000 3.7336823 0.0000000 0.3424638 0.0000000 4.0257232 2 Lu 3.7691422 0.0000000 -0.2813480 0.0000000 3.7689742 0.0000000 0.0805149 0.0000000 3.5928464 3 Lu 3.7691422 0.0000000 0.2813480 0.0000000 3.7689742 0.0000000 -0.0805149 0.0000000 3.5928464 4 Lu 4.1368503 0.0000000 0.1636977 0.0000000 3.7336823 0.0000000 -0.3424638 0.0000000 4.0257232 5 Lu 4.1368503 0.0000000 0.1636977 0.0000000 3.7336823 0.0000000 -0.3424638 0.0000000 4.0257232 6 Lu 3.7691422 0.0000000 0.2813480 0.0000000 3.7689742 0.0000000 -0.0805149 0.0000000 3.5928464 7 Lu 3.7691422 0.0000000 -0.2813480 0.0000000 3.7689742 0.0000000 0.0805149 0.0000000 3.5928464 8 Lu 4.1368503 0.0000000 -0.1636977 0.0000000 3.7336823 0.0000000 0.3424638 0.0000000 4.0257232 9 Ti 3.5615966 0.0000000 -0.0916523 0.0000000 5.0925624 0.0000000 -0.4300407 0.0000000 4.6555337 10 Ti 3.5615966 0.0000000 0.0916523 0.0000000 5.0925624 0.0000000 0.4300407 0.0000000 4.6555337 11 Ti 3.5615966 0.0000000 0.0916523 0.0000000 5.0925624 0.0000000 0.4300407 0.0000000 4.6555337 12 Ti 3.5615966 0.0000000 -0.0916523 0.0000000 5.0925624 0.0000000 -0.4300407 0.0000000 4.6555337 13 O -2.4641186 0.0000000 -0.0399532 0.0000000 -2.3147931 0.0000000 -0.4072129 0.0000000 -2.4429109 14 O -3.4250532 0.0000000 0.7964902 0.0000000 -1.7789417 0.0000000 0.7264669 0.0000000 -1.3273759 15 O -1.8838650 0.0000000 0.1082014 0.0000000 -2.2347290 0.0000000 0.3855825 0.0000000 -3.5917077 16 O -1.5658884 0.0000000 -0.1065626 0.0000000 -3.9337668 0.0000000 0.0812070 0.0000000 -1.8112018 17 O -2.1286638 0.0000000 0.3573332 0.0000000 -2.3329883 0.0000000 0.4159000 0.0000000 -3.1009071 18 O -2.1286638 0.0000000 -0.3573332 0.0000000 -2.3329883 0.0000000 -0.4159000 0.0000000 -3.1009071 19 O -1.5658884 0.0000000 0.1065626 0.0000000 -3.9337668 0.0000000 -0.0812070 0.0000000 -1.8112018 20 O -1.8838650 0.0000000 -0.1082014 0.0000000 -2.2347290 0.0000000 -0.3855825 0.0000000 -3.5917077 21 O -3.4250532 0.0000000 -0.7964902 0.0000000 -1.7789417 0.0000000 -0.7264669 0.0000000 -1.3273759 22 O -2.4641186 0.0000000 0.0399532 0.0000000 -2.3147931 0.0000000 0.4072129 0.0000000 -2.4429109 23 O -2.4641186 0.0000000 0.0399532 0.0000000 -2.3147931 0.0000000 0.4072129 0.0000000 -2.4429109 24 O -3.4250532 0.0000000 -0.7964902 0.0000000 -1.7789417 0.0000000 -0.7264669 0.0000000 -1.3273759 25 O -1.8838650 0.0000000 -0.1082014 0.0000000 -2.2347290 0.0000000 -0.3855825 0.0000000 -3.5917077 26 O -1.5658884 0.0000000 0.1065626 0.0000000 -3.9337668 0.0000000 -0.0812070 0.0000000 -1.8112018 27 O -2.1286638 0.0000000 -0.3573332 0.0000000 -2.3329883 0.0000000 -0.4159000 0.0000000 -3.1009071 28 O -2.1286638 0.0000000 0.3573332 0.0000000 -2.3329883 0.0000000 0.4159000 0.0000000 -3.1009071 29 O -1.5658884 0.0000000 -0.1065626 0.0000000 -3.9337668 0.0000000 0.0812070 0.0000000 -1.8112018 30 O -1.8838650 0.0000000 0.1082014 0.0000000 -2.2347290 0.0000000 0.3855825 0.0000000 -3.5917077 31 O -3.4250532 0.0000000 0.7964902 0.0000000 -1.7789417 0.0000000 0.7264669 0.0000000 -1.3273759 32 O -2.4641186 0.0000000 -0.0399532 0.0000000 -2.3147931 0.0000000 -0.4072129 0.0000000 -2.4429109 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.610 Solver_block: 200 / 480 - Time: 2.599 Solver_block: 300 / 480 - Time: 2.600 Solver_block: 400 / 480 - Time: 2.599 Solver_block: 480 / 480 - Time: 2.120 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.581 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:19:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:19:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.082861189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.570968820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.026278990000000 Atomic positions (fractional): 1 Lu 0.12151064511424 0.25000000000000 0.77416013660438 174.967 2 Lu 0.13464310276923 0.25000000000000 0.44342589564245 174.967 3 Lu 0.36535689723076 0.75000000000000 0.94342589564245 174.967 4 Lu 0.37848935488576 0.75000000000000 0.27416013660438 174.967 5 Lu 0.62151064511424 0.25000000000000 0.72583986339562 174.967 6 Lu 0.63464310276923 0.25000000000000 0.05657410435755 174.967 7 Lu 0.86535689723077 0.75000000000000 0.55657410435755 174.967 8 Lu 0.87848935488576 0.75000000000000 0.22583986339562 174.967 9 Ti 0.16853430567382 0.25000000000000 0.11608164957970 47.867 10 Ti 0.33146569432618 0.75000000000000 0.61608164957970 47.867 11 Ti 0.66853430567382 0.25000000000000 0.38391835042030 47.867 12 Ti 0.83146569432618 0.75000000000000 0.88391835042030 47.867 13 O 0.00529159471322 0.75000000000000 0.39454260696189 15.999 14 O 0.99674675350892 0.25000000000000 0.15318538387861 15.999 15 O 0.22552986954150 0.25000000000000 0.95214302432465 15.999 16 O 0.23938999821428 0.75000000000000 0.11338153649157 15.999 17 O 0.25008986613455 0.75000000000000 0.77089495015137 15.999 18 O 0.24991013386545 0.25000000000000 0.27089495015137 15.999 19 O 0.26061000178572 0.25000000000000 0.61338153649157 15.999 20 O 0.27447013045850 0.75000000000000 0.45214302432465 15.999 21 O 0.50325324649108 0.75000000000000 0.65318538387861 15.999 22 O 0.49470840528678 0.25000000000000 0.89454260696189 15.999 23 O 0.50529159471322 0.75000000000000 0.10545739303811 15.999 24 O 0.49674675350892 0.25000000000000 0.34681461612139 15.999 25 O 0.72552986954150 0.25000000000000 0.54785697567535 15.999 26 O 0.73938999821428 0.75000000000000 0.38661846350843 15.999 27 O 0.75008986613455 0.75000000000000 0.72910504984863 15.999 28 O 0.74991013386545 0.25000000000000 0.22910504984863 15.999 29 O 0.76061000178572 0.25000000000000 0.88661846350843 15.999 30 O 0.77447013045850 0.75000000000000 0.04785697567535 15.999 31 O 0.00325324649108 0.75000000000000 0.84681461612139 15.999 32 O 0.99470840528678 0.25000000000000 0.60545739303811 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.082861189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.712906460000003 0.000000000000000 c 0.000000000000000 0.000000000000000 11.026278990000000 Atomic positions (fractional): 1 Lu 0.12151064511424 0.08333333333333 0.77416013660438 174.967 > 1 2 Lu 0.12151064511424 0.41666666666667 0.77416013660438 174.967 > 1 3 Lu 0.12151064511424 0.75000000000000 0.77416013660438 174.967 > 1 4 Lu 0.13464310276923 0.08333333333333 0.44342589564245 174.967 > 4 5 Lu 0.13464310276923 0.41666666666667 0.44342589564245 174.967 > 4 6 Lu 0.13464310276923 0.75000000000000 0.44342589564245 174.967 > 4 7 Lu 0.36535689723076 0.25000000000000 0.94342589564245 174.967 > 7 8 Lu 0.36535689723076 0.58333333333333 0.94342589564245 174.967 > 7 9 Lu 0.36535689723076 0.91666666666667 0.94342589564245 174.967 > 7 10 Lu 0.37848935488576 0.25000000000000 0.27416013660438 174.967 > 10 11 Lu 0.37848935488576 0.58333333333333 0.27416013660438 174.967 > 10 12 Lu 0.37848935488576 0.91666666666667 0.27416013660438 174.967 > 10 13 Lu 0.62151064511424 0.08333333333333 0.72583986339562 174.967 > 13 14 Lu 0.62151064511424 0.41666666666667 0.72583986339562 174.967 > 13 15 Lu 0.62151064511424 0.75000000000000 0.72583986339562 174.967 > 13 16 Lu 0.63464310276923 0.08333333333333 0.05657410435755 174.967 > 16 17 Lu 0.63464310276923 0.41666666666667 0.05657410435755 174.967 > 16 18 Lu 0.63464310276923 0.75000000000000 0.05657410435755 174.967 > 16 19 Lu 0.86535689723077 0.25000000000000 0.55657410435755 174.967 > 19 20 Lu 0.86535689723077 0.58333333333333 0.55657410435755 174.967 > 19 21 Lu 0.86535689723077 0.91666666666667 0.55657410435755 174.967 > 19 22 Lu 0.87848935488576 0.25000000000000 0.22583986339562 174.967 > 22 23 Lu 0.87848935488576 0.58333333333333 0.22583986339562 174.967 > 22 24 Lu 0.87848935488576 0.91666666666667 0.22583986339562 174.967 > 22 25 Ti 0.16853430567382 0.08333333333333 0.11608164957970 47.867 > 25 26 Ti 0.16853430567382 0.41666666666667 0.11608164957970 47.867 > 25 27 Ti 0.16853430567382 0.75000000000000 0.11608164957970 47.867 > 25 28 Ti 0.33146569432618 0.25000000000000 0.61608164957970 47.867 > 28 29 Ti 0.33146569432618 0.58333333333333 0.61608164957970 47.867 > 28 30 Ti 0.33146569432618 0.91666666666667 0.61608164957970 47.867 > 28 31 Ti 0.66853430567382 0.08333333333333 0.38391835042030 47.867 > 31 32 Ti 0.66853430567382 0.41666666666667 0.38391835042030 47.867 > 31 33 Ti 0.66853430567382 0.75000000000000 0.38391835042030 47.867 > 31 34 Ti 0.83146569432618 0.25000000000000 0.88391835042030 47.867 > 34 35 Ti 0.83146569432618 0.58333333333333 0.88391835042030 47.867 > 34 36 Ti 0.83146569432618 0.91666666666667 0.88391835042030 47.867 > 34 37 O 0.00529159471322 0.25000000000000 0.39454260696189 15.999 > 37 38 O 0.00529159471322 0.58333333333333 0.39454260696189 15.999 > 37 39 O 0.00529159471322 0.91666666666667 0.39454260696189 15.999 > 37 40 O 0.99674675350892 0.08333333333333 0.15318538387861 15.999 > 40 41 O 0.99674675350892 0.41666666666667 0.15318538387861 15.999 > 40 42 O 0.99674675350892 0.75000000000000 0.15318538387861 15.999 > 40 43 O 0.22552986954150 0.08333333333333 0.95214302432465 15.999 > 43 44 O 0.22552986954150 0.41666666666667 0.95214302432465 15.999 > 43 45 O 0.22552986954150 0.75000000000000 0.95214302432465 15.999 > 43 46 O 0.23938999821428 0.25000000000000 0.11338153649157 15.999 > 46 47 O 0.23938999821428 0.58333333333333 0.11338153649157 15.999 > 46 48 O 0.23938999821428 0.91666666666667 0.11338153649157 15.999 > 46 49 O 0.25008986613455 0.25000000000000 0.77089495015137 15.999 > 49 50 O 0.25008986613455 0.58333333333333 0.77089495015137 15.999 > 49 51 O 0.25008986613455 0.91666666666667 0.77089495015137 15.999 > 49 52 O 0.24991013386545 0.08333333333333 0.27089495015137 15.999 > 52 53 O 0.24991013386545 0.41666666666667 0.27089495015137 15.999 > 52 54 O 0.24991013386545 0.75000000000000 0.27089495015137 15.999 > 52 55 O 0.26061000178572 0.08333333333333 0.61338153649157 15.999 > 55 56 O 0.26061000178572 0.41666666666667 0.61338153649157 15.999 > 55 57 O 0.26061000178572 0.75000000000000 0.61338153649157 15.999 > 55 58 O 0.27447013045850 0.25000000000000 0.45214302432465 15.999 > 58 59 O 0.27447013045850 0.58333333333333 0.45214302432465 15.999 > 58 60 O 0.27447013045850 0.91666666666667 0.45214302432465 15.999 > 58 61 O 0.50325324649108 0.25000000000000 0.65318538387861 15.999 > 61 62 O 0.50325324649108 0.58333333333333 0.65318538387861 15.999 > 61 63 O 0.50325324649108 0.91666666666667 0.65318538387861 15.999 > 61 64 O 0.49470840528678 0.08333333333333 0.89454260696189 15.999 > 64 65 O 0.49470840528678 0.41666666666667 0.89454260696189 15.999 > 64 66 O 0.49470840528678 0.75000000000000 0.89454260696189 15.999 > 64 67 O 0.50529159471322 0.25000000000000 0.10545739303811 15.999 > 67 68 O 0.50529159471322 0.58333333333333 0.10545739303811 15.999 > 67 69 O 0.50529159471322 0.91666666666667 0.10545739303811 15.999 > 67 70 O 0.49674675350892 0.08333333333333 0.34681461612139 15.999 > 70 71 O 0.49674675350892 0.41666666666667 0.34681461612139 15.999 > 70 72 O 0.49674675350892 0.75000000000000 0.34681461612139 15.999 > 70 73 O 0.72552986954150 0.08333333333333 0.54785697567535 15.999 > 73 74 O 0.72552986954150 0.41666666666667 0.54785697567535 15.999 > 73 75 O 0.72552986954150 0.75000000000000 0.54785697567535 15.999 > 73 76 O 0.73938999821428 0.25000000000000 0.38661846350843 15.999 > 76 77 O 0.73938999821428 0.58333333333333 0.38661846350843 15.999 > 76 78 O 0.73938999821428 0.91666666666667 0.38661846350843 15.999 > 76 79 O 0.75008986613455 0.25000000000000 0.72910504984863 15.999 > 79 80 O 0.75008986613455 0.58333333333333 0.72910504984863 15.999 > 79 81 O 0.75008986613455 0.91666666666667 0.72910504984863 15.999 > 79 82 O 0.74991013386545 0.08333333333333 0.22910504984863 15.999 > 82 83 O 0.74991013386545 0.41666666666667 0.22910504984863 15.999 > 82 84 O 0.74991013386545 0.75000000000000 0.22910504984863 15.999 > 82 85 O 0.76061000178572 0.08333333333333 0.88661846350843 15.999 > 85 86 O 0.76061000178572 0.41666666666667 0.88661846350843 15.999 > 85 87 O 0.76061000178572 0.75000000000000 0.88661846350843 15.999 > 85 88 O 0.77447013045850 0.25000000000000 0.04785697567535 15.999 > 88 89 O 0.77447013045850 0.58333333333333 0.04785697567535 15.999 > 88 90 O 0.77447013045850 0.91666666666667 0.04785697567535 15.999 > 88 91 O 0.00325324649108 0.25000000000000 0.84681461612139 15.999 > 91 92 O 0.00325324649108 0.58333333333333 0.84681461612139 15.999 > 91 93 O 0.00325324649108 0.91666666666667 0.84681461612139 15.999 > 91 94 O 0.99470840528678 0.08333333333333 0.60545739303811 15.999 > 94 95 O 0.99470840528678 0.41666666666667 0.60545739303811 15.999 > 94 96 O 0.99470840528678 0.75000000000000 0.60545739303811 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3893646 0.0000000 0.0000000 0.0000000 4.5756923 0.0000000 0.0000000 0.0000000 4.5878906 -------------------------- Born effective charges -------------------------- 1 Lu 4.1368503 0.0000000 -0.1636977 0.0000000 3.7336823 0.0000000 0.3424638 0.0000000 4.0257232 2 Lu 3.7691422 0.0000000 -0.2813480 0.0000000 3.7689742 0.0000000 0.0805149 0.0000000 3.5928464 3 Lu 3.7691422 0.0000000 0.2813480 0.0000000 3.7689742 0.0000000 -0.0805149 0.0000000 3.5928464 4 Lu 4.1368503 0.0000000 0.1636977 0.0000000 3.7336823 0.0000000 -0.3424638 0.0000000 4.0257232 5 Lu 4.1368503 0.0000000 0.1636977 0.0000000 3.7336823 0.0000000 -0.3424638 0.0000000 4.0257232 6 Lu 3.7691422 0.0000000 0.2813480 0.0000000 3.7689742 0.0000000 -0.0805149 0.0000000 3.5928464 7 Lu 3.7691422 0.0000000 -0.2813480 0.0000000 3.7689742 0.0000000 0.0805149 0.0000000 3.5928464 8 Lu 4.1368503 0.0000000 -0.1636977 0.0000000 3.7336823 0.0000000 0.3424638 0.0000000 4.0257232 9 Ti 3.5615966 0.0000000 -0.0916523 0.0000000 5.0925624 0.0000000 -0.4300407 0.0000000 4.6555337 10 Ti 3.5615966 0.0000000 0.0916523 0.0000000 5.0925624 0.0000000 0.4300407 0.0000000 4.6555337 11 Ti 3.5615966 0.0000000 0.0916523 0.0000000 5.0925624 0.0000000 0.4300407 0.0000000 4.6555337 12 Ti 3.5615966 0.0000000 -0.0916523 0.0000000 5.0925624 0.0000000 -0.4300407 0.0000000 4.6555337 13 O -2.4641186 0.0000000 -0.0399532 0.0000000 -2.3147931 0.0000000 -0.4072129 0.0000000 -2.4429109 14 O -3.4250532 0.0000000 0.7964902 0.0000000 -1.7789417 0.0000000 0.7264669 0.0000000 -1.3273759 15 O -1.8838650 0.0000000 0.1082014 0.0000000 -2.2347290 0.0000000 0.3855825 0.0000000 -3.5917077 16 O -1.5658884 0.0000000 -0.1065626 0.0000000 -3.9337668 0.0000000 0.0812070 0.0000000 -1.8112018 17 O -2.1286638 0.0000000 0.3573332 0.0000000 -2.3329883 0.0000000 0.4159000 0.0000000 -3.1009071 18 O -2.1286638 0.0000000 -0.3573332 0.0000000 -2.3329883 0.0000000 -0.4159000 0.0000000 -3.1009071 19 O -1.5658884 0.0000000 0.1065626 0.0000000 -3.9337668 0.0000000 -0.0812070 0.0000000 -1.8112018 20 O -1.8838650 0.0000000 -0.1082014 0.0000000 -2.2347290 0.0000000 -0.3855825 0.0000000 -3.5917077 21 O -3.4250532 0.0000000 -0.7964902 0.0000000 -1.7789417 0.0000000 -0.7264669 0.0000000 -1.3273759 22 O -2.4641186 0.0000000 0.0399532 0.0000000 -2.3147931 0.0000000 0.4072129 0.0000000 -2.4429109 23 O -2.4641186 0.0000000 0.0399532 0.0000000 -2.3147931 0.0000000 0.4072129 0.0000000 -2.4429109 24 O -3.4250532 0.0000000 -0.7964902 0.0000000 -1.7789417 0.0000000 -0.7264669 0.0000000 -1.3273759 25 O -1.8838650 0.0000000 -0.1082014 0.0000000 -2.2347290 0.0000000 -0.3855825 0.0000000 -3.5917077 26 O -1.5658884 0.0000000 0.1065626 0.0000000 -3.9337668 0.0000000 -0.0812070 0.0000000 -1.8112018 27 O -2.1286638 0.0000000 -0.3573332 0.0000000 -2.3329883 0.0000000 -0.4159000 0.0000000 -3.1009071 28 O -2.1286638 0.0000000 0.3573332 0.0000000 -2.3329883 0.0000000 0.4159000 0.0000000 -3.1009071 29 O -1.5658884 0.0000000 -0.1065626 0.0000000 -3.9337668 0.0000000 0.0812070 0.0000000 -1.8112018 30 O -1.8838650 0.0000000 0.1082014 0.0000000 -2.2347290 0.0000000 0.3855825 0.0000000 -3.5917077 31 O -3.4250532 0.0000000 0.7964902 0.0000000 -1.7789417 0.0000000 0.7264669 0.0000000 -1.3273759 32 O -2.4641186 0.0000000 -0.0399532 0.0000000 -2.3147931 0.0000000 -0.4072129 0.0000000 -2.4429109 ---------------------------------------------------------------------------- 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[ 4, 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, 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[ 40, 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[ 43, 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[ 46, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:19:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:19:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.082861189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.570968820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.026278990000000 Atomic positions (fractional): 1 Lu 0.12151064511424 0.25000000000000 0.77416013660438 174.967 2 Lu 0.13464310276923 0.25000000000000 0.44342589564245 174.967 3 Lu 0.36535689723076 0.75000000000000 0.94342589564245 174.967 4 Lu 0.37848935488576 0.75000000000000 0.27416013660438 174.967 5 Lu 0.62151064511424 0.25000000000000 0.72583986339562 174.967 6 Lu 0.63464310276923 0.25000000000000 0.05657410435755 174.967 7 Lu 0.86535689723077 0.75000000000000 0.55657410435755 174.967 8 Lu 0.87848935488576 0.75000000000000 0.22583986339562 174.967 9 Ti 0.16853430567382 0.25000000000000 0.11608164957970 47.867 10 Ti 0.33146569432618 0.75000000000000 0.61608164957970 47.867 11 Ti 0.66853430567382 0.25000000000000 0.38391835042030 47.867 12 Ti 0.83146569432618 0.75000000000000 0.88391835042030 47.867 13 O 0.00529159471322 0.75000000000000 0.39454260696189 15.999 14 O 0.99674675350892 0.25000000000000 0.15318538387861 15.999 15 O 0.22552986954150 0.25000000000000 0.95214302432465 15.999 16 O 0.23938999821428 0.75000000000000 0.11338153649157 15.999 17 O 0.25008986613455 0.75000000000000 0.77089495015137 15.999 18 O 0.24991013386545 0.25000000000000 0.27089495015137 15.999 19 O 0.26061000178572 0.25000000000000 0.61338153649157 15.999 20 O 0.27447013045850 0.75000000000000 0.45214302432465 15.999 21 O 0.50325324649108 0.75000000000000 0.65318538387861 15.999 22 O 0.49470840528678 0.25000000000000 0.89454260696189 15.999 23 O 0.50529159471322 0.75000000000000 0.10545739303811 15.999 24 O 0.49674675350892 0.25000000000000 0.34681461612139 15.999 25 O 0.72552986954150 0.25000000000000 0.54785697567535 15.999 26 O 0.73938999821428 0.75000000000000 0.38661846350843 15.999 27 O 0.75008986613455 0.75000000000000 0.72910504984863 15.999 28 O 0.74991013386545 0.25000000000000 0.22910504984863 15.999 29 O 0.76061000178572 0.25000000000000 0.88661846350843 15.999 30 O 0.77447013045850 0.75000000000000 0.04785697567535 15.999 31 O 0.00325324649108 0.75000000000000 0.84681461612139 15.999 32 O 0.99470840528678 0.25000000000000 0.60545739303811 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.082861189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.712906460000003 0.000000000000000 c 0.000000000000000 0.000000000000000 11.026278990000000 Atomic positions (fractional): 1 Lu 0.12151064511424 0.08333333333333 0.77416013660438 174.967 > 1 2 Lu 0.12151064511424 0.41666666666667 0.77416013660438 174.967 > 1 3 Lu 0.12151064511424 0.75000000000000 0.77416013660438 174.967 > 1 4 Lu 0.13464310276923 0.08333333333333 0.44342589564245 174.967 > 4 5 Lu 0.13464310276923 0.41666666666667 0.44342589564245 174.967 > 4 6 Lu 0.13464310276923 0.75000000000000 0.44342589564245 174.967 > 4 7 Lu 0.36535689723076 0.25000000000000 0.94342589564245 174.967 > 7 8 Lu 0.36535689723076 0.58333333333333 0.94342589564245 174.967 > 7 9 Lu 0.36535689723076 0.91666666666667 0.94342589564245 174.967 > 7 10 Lu 0.37848935488576 0.25000000000000 0.27416013660438 174.967 > 10 11 Lu 0.37848935488576 0.58333333333333 0.27416013660438 174.967 > 10 12 Lu 0.37848935488576 0.91666666666667 0.27416013660438 174.967 > 10 13 Lu 0.62151064511424 0.08333333333333 0.72583986339562 174.967 > 13 14 Lu 0.62151064511424 0.41666666666667 0.72583986339562 174.967 > 13 15 Lu 0.62151064511424 0.75000000000000 0.72583986339562 174.967 > 13 16 Lu 0.63464310276923 0.08333333333333 0.05657410435755 174.967 > 16 17 Lu 0.63464310276923 0.41666666666667 0.05657410435755 174.967 > 16 18 Lu 0.63464310276923 0.75000000000000 0.05657410435755 174.967 > 16 19 Lu 0.86535689723077 0.25000000000000 0.55657410435755 174.967 > 19 20 Lu 0.86535689723077 0.58333333333333 0.55657410435755 174.967 > 19 21 Lu 0.86535689723077 0.91666666666667 0.55657410435755 174.967 > 19 22 Lu 0.87848935488576 0.25000000000000 0.22583986339562 174.967 > 22 23 Lu 0.87848935488576 0.58333333333333 0.22583986339562 174.967 > 22 24 Lu 0.87848935488576 0.91666666666667 0.22583986339562 174.967 > 22 25 Ti 0.16853430567382 0.08333333333333 0.11608164957970 47.867 > 25 26 Ti 0.16853430567382 0.41666666666667 0.11608164957970 47.867 > 25 27 Ti 0.16853430567382 0.75000000000000 0.11608164957970 47.867 > 25 28 Ti 0.33146569432618 0.25000000000000 0.61608164957970 47.867 > 28 29 Ti 0.33146569432618 0.58333333333333 0.61608164957970 47.867 > 28 30 Ti 0.33146569432618 0.91666666666667 0.61608164957970 47.867 > 28 31 Ti 0.66853430567382 0.08333333333333 0.38391835042030 47.867 > 31 32 Ti 0.66853430567382 0.41666666666667 0.38391835042030 47.867 > 31 33 Ti 0.66853430567382 0.75000000000000 0.38391835042030 47.867 > 31 34 Ti 0.83146569432618 0.25000000000000 0.88391835042030 47.867 > 34 35 Ti 0.83146569432618 0.58333333333333 0.88391835042030 47.867 > 34 36 Ti 0.83146569432618 0.91666666666667 0.88391835042030 47.867 > 34 37 O 0.00529159471322 0.25000000000000 0.39454260696189 15.999 > 37 38 O 0.00529159471322 0.58333333333333 0.39454260696189 15.999 > 37 39 O 0.00529159471322 0.91666666666667 0.39454260696189 15.999 > 37 40 O 0.99674675350892 0.08333333333333 0.15318538387861 15.999 > 40 41 O 0.99674675350892 0.41666666666667 0.15318538387861 15.999 > 40 42 O 0.99674675350892 0.75000000000000 0.15318538387861 15.999 > 40 43 O 0.22552986954150 0.08333333333333 0.95214302432465 15.999 > 43 44 O 0.22552986954150 0.41666666666667 0.95214302432465 15.999 > 43 45 O 0.22552986954150 0.75000000000000 0.95214302432465 15.999 > 43 46 O 0.23938999821428 0.25000000000000 0.11338153649157 15.999 > 46 47 O 0.23938999821428 0.58333333333333 0.11338153649157 15.999 > 46 48 O 0.23938999821428 0.91666666666667 0.11338153649157 15.999 > 46 49 O 0.25008986613455 0.25000000000000 0.77089495015137 15.999 > 49 50 O 0.25008986613455 0.58333333333333 0.77089495015137 15.999 > 49 51 O 0.25008986613455 0.91666666666667 0.77089495015137 15.999 > 49 52 O 0.24991013386545 0.08333333333333 0.27089495015137 15.999 > 52 53 O 0.24991013386545 0.41666666666667 0.27089495015137 15.999 > 52 54 O 0.24991013386545 0.75000000000000 0.27089495015137 15.999 > 52 55 O 0.26061000178572 0.08333333333333 0.61338153649157 15.999 > 55 56 O 0.26061000178572 0.41666666666667 0.61338153649157 15.999 > 55 57 O 0.26061000178572 0.75000000000000 0.61338153649157 15.999 > 55 58 O 0.27447013045850 0.25000000000000 0.45214302432465 15.999 > 58 59 O 0.27447013045850 0.58333333333333 0.45214302432465 15.999 > 58 60 O 0.27447013045850 0.91666666666667 0.45214302432465 15.999 > 58 61 O 0.50325324649108 0.25000000000000 0.65318538387861 15.999 > 61 62 O 0.50325324649108 0.58333333333333 0.65318538387861 15.999 > 61 63 O 0.50325324649108 0.91666666666667 0.65318538387861 15.999 > 61 64 O 0.49470840528678 0.08333333333333 0.89454260696189 15.999 > 64 65 O 0.49470840528678 0.41666666666667 0.89454260696189 15.999 > 64 66 O 0.49470840528678 0.75000000000000 0.89454260696189 15.999 > 64 67 O 0.50529159471322 0.25000000000000 0.10545739303811 15.999 > 67 68 O 0.50529159471322 0.58333333333333 0.10545739303811 15.999 > 67 69 O 0.50529159471322 0.91666666666667 0.10545739303811 15.999 > 67 70 O 0.49674675350892 0.08333333333333 0.34681461612139 15.999 > 70 71 O 0.49674675350892 0.41666666666667 0.34681461612139 15.999 > 70 72 O 0.49674675350892 0.75000000000000 0.34681461612139 15.999 > 70 73 O 0.72552986954150 0.08333333333333 0.54785697567535 15.999 > 73 74 O 0.72552986954150 0.41666666666667 0.54785697567535 15.999 > 73 75 O 0.72552986954150 0.75000000000000 0.54785697567535 15.999 > 73 76 O 0.73938999821428 0.25000000000000 0.38661846350843 15.999 > 76 77 O 0.73938999821428 0.58333333333333 0.38661846350843 15.999 > 76 78 O 0.73938999821428 0.91666666666667 0.38661846350843 15.999 > 76 79 O 0.75008986613455 0.25000000000000 0.72910504984863 15.999 > 79 80 O 0.75008986613455 0.58333333333333 0.72910504984863 15.999 > 79 81 O 0.75008986613455 0.91666666666667 0.72910504984863 15.999 > 79 82 O 0.74991013386545 0.08333333333333 0.22910504984863 15.999 > 82 83 O 0.74991013386545 0.41666666666667 0.22910504984863 15.999 > 82 84 O 0.74991013386545 0.75000000000000 0.22910504984863 15.999 > 82 85 O 0.76061000178572 0.08333333333333 0.88661846350843 15.999 > 85 86 O 0.76061000178572 0.41666666666667 0.88661846350843 15.999 > 85 87 O 0.76061000178572 0.75000000000000 0.88661846350843 15.999 > 85 88 O 0.77447013045850 0.25000000000000 0.04785697567535 15.999 > 88 89 O 0.77447013045850 0.58333333333333 0.04785697567535 15.999 > 88 90 O 0.77447013045850 0.91666666666667 0.04785697567535 15.999 > 88 91 O 0.00325324649108 0.25000000000000 0.84681461612139 15.999 > 91 92 O 0.00325324649108 0.58333333333333 0.84681461612139 15.999 > 91 93 O 0.00325324649108 0.91666666666667 0.84681461612139 15.999 > 91 94 O 0.99470840528678 0.08333333333333 0.60545739303811 15.999 > 94 95 O 0.99470840528678 0.41666666666667 0.60545739303811 15.999 > 94 96 O 0.99470840528678 0.75000000000000 0.60545739303811 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3893646 0.0000000 0.0000000 0.0000000 4.5756923 0.0000000 0.0000000 0.0000000 4.5878906 -------------------------- Born effective charges -------------------------- 1 Lu 4.1368503 0.0000000 -0.1636977 0.0000000 3.7336823 0.0000000 0.3424638 0.0000000 4.0257232 2 Lu 3.7691422 0.0000000 -0.2813480 0.0000000 3.7689742 0.0000000 0.0805149 0.0000000 3.5928464 3 Lu 3.7691422 0.0000000 0.2813480 0.0000000 3.7689742 0.0000000 -0.0805149 0.0000000 3.5928464 4 Lu 4.1368503 0.0000000 0.1636977 0.0000000 3.7336823 0.0000000 -0.3424638 0.0000000 4.0257232 5 Lu 4.1368503 0.0000000 0.1636977 0.0000000 3.7336823 0.0000000 -0.3424638 0.0000000 4.0257232 6 Lu 3.7691422 0.0000000 0.2813480 0.0000000 3.7689742 0.0000000 -0.0805149 0.0000000 3.5928464 7 Lu 3.7691422 0.0000000 -0.2813480 0.0000000 3.7689742 0.0000000 0.0805149 0.0000000 3.5928464 8 Lu 4.1368503 0.0000000 -0.1636977 0.0000000 3.7336823 0.0000000 0.3424638 0.0000000 4.0257232 9 Ti 3.5615966 0.0000000 -0.0916523 0.0000000 5.0925624 0.0000000 -0.4300407 0.0000000 4.6555337 10 Ti 3.5615966 0.0000000 0.0916523 0.0000000 5.0925624 0.0000000 0.4300407 0.0000000 4.6555337 11 Ti 3.5615966 0.0000000 0.0916523 0.0000000 5.0925624 0.0000000 0.4300407 0.0000000 4.6555337 12 Ti 3.5615966 0.0000000 -0.0916523 0.0000000 5.0925624 0.0000000 -0.4300407 0.0000000 4.6555337 13 O -2.4641186 0.0000000 -0.0399532 0.0000000 -2.3147931 0.0000000 -0.4072129 0.0000000 -2.4429109 14 O -3.4250532 0.0000000 0.7964902 0.0000000 -1.7789417 0.0000000 0.7264669 0.0000000 -1.3273759 15 O -1.8838650 0.0000000 0.1082014 0.0000000 -2.2347290 0.0000000 0.3855825 0.0000000 -3.5917077 16 O -1.5658884 0.0000000 -0.1065626 0.0000000 -3.9337668 0.0000000 0.0812070 0.0000000 -1.8112018 17 O -2.1286638 0.0000000 0.3573332 0.0000000 -2.3329883 0.0000000 0.4159000 0.0000000 -3.1009071 18 O -2.1286638 0.0000000 -0.3573332 0.0000000 -2.3329883 0.0000000 -0.4159000 0.0000000 -3.1009071 19 O -1.5658884 0.0000000 0.1065626 0.0000000 -3.9337668 0.0000000 -0.0812070 0.0000000 -1.8112018 20 O -1.8838650 0.0000000 -0.1082014 0.0000000 -2.2347290 0.0000000 -0.3855825 0.0000000 -3.5917077 21 O -3.4250532 0.0000000 -0.7964902 0.0000000 -1.7789417 0.0000000 -0.7264669 0.0000000 -1.3273759 22 O -2.4641186 0.0000000 0.0399532 0.0000000 -2.3147931 0.0000000 0.4072129 0.0000000 -2.4429109 23 O -2.4641186 0.0000000 0.0399532 0.0000000 -2.3147931 0.0000000 0.4072129 0.0000000 -2.4429109 24 O -3.4250532 0.0000000 -0.7964902 0.0000000 -1.7789417 0.0000000 -0.7264669 0.0000000 -1.3273759 25 O -1.8838650 0.0000000 -0.1082014 0.0000000 -2.2347290 0.0000000 -0.3855825 0.0000000 -3.5917077 26 O -1.5658884 0.0000000 0.1065626 0.0000000 -3.9337668 0.0000000 -0.0812070 0.0000000 -1.8112018 27 O -2.1286638 0.0000000 -0.3573332 0.0000000 -2.3329883 0.0000000 -0.4159000 0.0000000 -3.1009071 28 O -2.1286638 0.0000000 0.3573332 0.0000000 -2.3329883 0.0000000 0.4159000 0.0000000 -3.1009071 29 O -1.5658884 0.0000000 -0.1065626 0.0000000 -3.9337668 0.0000000 0.0812070 0.0000000 -1.8112018 30 O -1.8838650 0.0000000 0.1082014 0.0000000 -2.2347290 0.0000000 0.3855825 0.0000000 -3.5917077 31 O -3.4250532 0.0000000 0.7964902 0.0000000 -1.7789417 0.0000000 0.7264669 0.0000000 -1.3273759 32 O -2.4641186 0.0000000 -0.0399532 0.0000000 -2.3147931 0.0000000 -0.4072129 0.0000000 -2.4429109 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 5 ] 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: 0.57, Number of G-points: 279, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 2.181 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.160 ( 0.000 0.000 0.000) 0.000 5.173 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 7.301 ( 0.000 0.000 0.000) 0.000 7.368 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 0.000 0.000) 0.000 7.752 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 8.101 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.354 ( 0.000 0.000 0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.286 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.938 ( 0.000 0.000 0.000) 0.000 10.239 ( 0.000 0.000 0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 10.429 ( 0.000 0.000 0.000) 0.000 10.936 ( 0.000 0.000 0.000) 0.000 11.122 ( 0.000 0.000 0.000) 0.000 11.690 ( 0.000 0.000 0.000) 0.000 11.720 ( 0.000 0.000 0.000) 0.000 11.811 ( 0.000 0.000 0.000) 0.000 11.901 ( 0.000 0.000 0.000) 0.000 11.975 ( 0.000 0.000 0.000) 0.000 12.259 ( 0.000 0.000 0.000) 0.000 12.270 ( 0.000 0.000 0.000) 0.000 12.376 ( 0.000 0.000 0.000) 0.000 13.164 ( 0.000 0.000 0.000) 0.000 13.294 ( 0.000 0.000 0.000) 0.000 13.591 ( 0.000 0.000 0.000) 0.000 13.626 ( 0.000 0.000 0.000) 0.000 13.671 ( 0.000 0.000 0.000) 0.000 14.422 ( 0.000 0.000 0.000) 0.000 14.454 ( 0.000 0.000 0.000) 0.000 14.549 ( 0.000 0.000 0.000) 0.000 14.596 ( 0.000 0.000 0.000) 0.000 15.060 ( 0.000 0.000 0.000) 0.000 15.136 ( 0.000 0.000 0.000) 0.000 15.515 ( 0.000 0.000 0.000) 0.000 15.787 ( 0.000 0.000 0.000) 0.000 15.813 ( 0.000 0.000 0.000) 0.000 16.857 ( 0.000 0.000 0.000) 0.000 17.732 ( 0.000 0.000 0.000) 0.000 17.748 ( 0.000 0.000 0.000) 0.000 19.195 ( 0.000 0.000 0.000) 0.000 19.649 ( 0.000 0.000 0.000) 0.000 19.655 ( 0.000 0.000 0.000) 0.000 19.778 ( 0.000 0.000 0.000) 0.000 19.781 ( 0.000 0.000 0.000) 0.000 20.185 ( 0.000 0.000 0.000) 0.000 20.701 ( 0.000 0.000 0.000) 0.000 21.319 ( 0.000 0.000 0.000) 0.000 21.673 ( 0.000 0.000 0.000) 0.000 21.826 ( 0.000 0.000 0.000) 0.000 24.021 ( 0.000 0.000 0.000) 0.000 24.909 ( 0.000 0.000 0.000) 0.000 25.082 ( 0.000 0.000 0.000) 0.000 25.822 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 26.891 0.000 0.000) 26.891 0.579 ( 28.866 0.000 0.000) 28.866 0.979 ( 49.613 0.000 0.000) 49.613 2.051 ( -15.958 0.000 0.000) 15.958 2.071 ( -18.054 0.000 0.000) 18.054 2.318 ( 10.711 0.000 0.000) 10.711 2.435 ( -4.724 0.000 0.000) 4.724 2.541 ( 6.466 0.000 0.000) 6.466 2.598 ( -0.779 0.000 0.000) 0.779 2.625 ( 2.882 0.000 0.000) 2.882 2.902 ( -3.246 0.000 0.000) 3.246 2.916 ( -11.565 0.000 0.000) 11.565 2.937 ( -6.871 0.000 0.000) 6.871 3.181 ( 4.681 0.000 0.000) 4.681 3.249 ( 1.808 0.000 0.000) 1.808 3.251 ( 7.153 0.000 0.000) 7.153 3.537 ( -6.665 0.000 0.000) 6.665 3.623 ( 13.636 0.000 0.000) 13.636 3.699 ( 4.170 0.000 0.000) 4.170 4.062 ( -8.448 0.000 0.000) 8.448 4.154 ( 0.730 0.000 0.000) 0.730 4.315 ( -13.521 0.000 0.000) 13.521 4.946 ( 5.398 0.000 0.000) 5.398 4.974 ( 2.096 0.000 0.000) 2.096 4.996 ( 3.499 0.000 0.000) 3.499 5.111 ( -4.828 0.000 0.000) 4.828 5.152 ( -1.993 0.000 0.000) 1.993 5.271 ( -2.980 0.000 0.000) 2.980 5.851 ( 10.722 0.000 0.000) 10.722 6.138 ( 2.756 0.000 0.000) 2.756 6.272 ( -3.052 0.000 0.000) 3.052 6.518 ( -7.850 0.000 0.000) 7.850 7.132 ( 10.707 0.000 0.000) 10.707 7.317 ( 2.931 0.000 0.000) 2.931 7.441 ( 6.500 0.000 0.000) 6.500 7.683 ( 13.381 0.000 0.000) 13.381 7.718 ( -2.627 0.000 0.000) 2.627 7.949 ( -12.016 0.000 0.000) 12.016 7.954 ( 1.741 0.000 0.000) 1.741 8.087 ( -1.371 0.000 0.000) 1.371 8.358 ( -4.201 0.000 0.000) 4.201 8.378 ( 3.275 0.000 0.000) 3.275 8.592 ( 4.952 0.000 0.000) 4.952 8.676 ( 16.113 0.000 0.000) 16.113 8.688 ( -10.579 0.000 0.000) 10.579 8.752 ( 1.666 0.000 0.000) 1.666 8.893 ( 2.192 0.000 0.000) 2.192 9.102 ( -2.756 0.000 0.000) 2.756 9.521 ( 4.942 0.000 0.000) 4.942 9.531 ( -2.120 0.000 0.000) 2.120 9.791 ( -11.349 0.000 0.000) 11.349 9.954 ( -18.692 0.000 0.000) 18.692 10.215 ( -1.425 0.000 0.000) 1.425 10.510 ( 3.518 0.000 0.000) 3.518 10.569 ( 10.919 0.000 0.000) 10.919 10.955 ( -8.083 0.000 0.000) 8.083 11.082 ( -3.949 0.000 0.000) 3.949 11.595 ( -15.058 0.000 0.000) 15.058 11.734 ( 3.546 0.000 0.000) 3.546 11.749 ( 2.732 0.000 0.000) 2.732 11.954 ( -2.071 0.000 0.000) 2.071 11.957 ( 0.046 0.000 0.000) 0.046 12.303 ( 1.390 0.000 0.000) 1.390 12.311 ( 3.244 0.000 0.000) 3.244 13.177 ( 1.282 0.000 0.000) 1.282 13.283 ( -1.155 0.000 0.000) 1.155 13.395 ( -0.692 0.000 0.000) 0.692 13.539 ( -2.400 0.000 0.000) 2.400 13.654 ( 2.083 0.000 0.000) 2.083 13.711 ( 2.353 0.000 0.000) 2.353 14.425 ( 0.303 0.000 0.000) 0.303 14.451 ( -0.302 0.000 0.000) 0.302 14.664 ( 10.482 0.000 0.000) 10.482 14.741 ( 11.577 0.000 0.000) 11.577 15.121 ( 6.778 0.000 0.000) 6.778 15.510 ( -0.511 0.000 0.000) 0.511 15.600 ( -1.407 0.000 0.000) 1.407 15.726 ( -5.084 0.000 0.000) 5.084 15.850 ( 2.915 0.000 0.000) 2.915 16.706 ( -17.007 0.000 0.000) 17.007 17.744 ( 0.771 0.000 0.000) 0.771 17.746 ( -0.111 0.000 0.000) 0.111 19.650 ( 0.047 0.000 0.000) 0.047 19.654 ( -0.059 0.000 0.000) 0.059 19.779 ( 0.038 0.000 0.000) 0.038 19.781 ( -0.022 0.000 0.000) 0.022 20.229 ( 4.215 0.000 0.000) 4.215 20.510 ( -1.070 0.000 0.000) 1.070 20.748 ( 5.055 0.000 0.000) 5.055 21.298 ( -2.559 0.000 0.000) 2.559 21.698 ( -10.981 0.000 0.000) 10.981 21.801 ( -11.142 0.000 0.000) 11.142 24.191 ( 15.021 0.000 0.000) 15.021 25.010 ( -6.884 0.000 0.000) 6.884 25.926 ( 9.344 0.000 0.000) 9.344 26.441 ( -3.893 0.000 0.000) 3.893 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 26.990 0.000 0.000) 26.990 1.138 ( 27.272 0.000 0.000) 27.272 1.547 ( -16.978 0.000 0.000) 16.978 1.649 ( -23.954 0.000 0.000) 23.954 2.035 ( 36.003 0.000 0.000) 36.003 2.387 ( -0.850 0.000 0.000) 0.850 2.467 ( 2.375 0.000 0.000) 2.375 2.546 ( -4.960 0.000 0.000) 4.960 2.662 ( 5.937 0.000 0.000) 5.937 2.701 ( 4.141 0.000 0.000) 4.141 2.761 ( 0.733 0.000 0.000) 0.733 2.804 ( -6.035 0.000 0.000) 6.035 2.817 ( -4.869 0.000 0.000) 4.869 3.148 ( -31.844 0.000 0.000) 31.844 3.253 ( 2.406 0.000 0.000) 2.406 3.274 ( 0.279 0.000 0.000) 0.279 3.422 ( 8.948 0.000 0.000) 8.948 3.597 ( -9.017 0.000 0.000) 9.017 3.847 ( 8.640 0.000 0.000) 8.640 3.955 ( -2.013 0.000 0.000) 2.013 4.232 ( 5.306 0.000 0.000) 5.306 4.266 ( 1.710 0.000 0.000) 1.710 4.966 ( -1.073 0.000 0.000) 1.073 4.999 ( -4.956 0.000 0.000) 4.956 5.030 ( 3.377 0.000 0.000) 3.377 5.086 ( 5.240 0.000 0.000) 5.240 5.098 ( -3.275 0.000 0.000) 3.275 5.190 ( -4.964 0.000 0.000) 4.964 6.064 ( 8.872 0.000 0.000) 8.872 6.191 ( -4.861 0.000 0.000) 4.861 6.218 ( 5.539 0.000 0.000) 5.539 6.355 ( -7.891 0.000 0.000) 7.891 7.376 ( 12.224 0.000 0.000) 12.224 7.413 ( 6.200 0.000 0.000) 6.200 7.502 ( -2.532 0.000 0.000) 2.532 7.618 ( -10.298 0.000 0.000) 10.298 7.914 ( 12.968 0.000 0.000) 12.968 7.970 ( 14.330 0.000 0.000) 14.330 7.999 ( 2.603 0.000 0.000) 2.603 8.050 ( -2.336 0.000 0.000) 2.336 8.219 ( -9.924 0.000 0.000) 9.924 8.265 ( -17.333 0.000 0.000) 17.333 8.666 ( 11.980 0.000 0.000) 11.980 8.706 ( 5.462 0.000 0.000) 5.462 8.771 ( -0.697 0.000 0.000) 0.697 8.872 ( -1.065 0.000 0.000) 1.065 8.954 ( 3.725 0.000 0.000) 3.725 9.032 ( -3.970 0.000 0.000) 3.970 9.503 ( 0.365 0.000 0.000) 0.365 9.565 ( -1.070 0.000 0.000) 1.070 9.584 ( -8.054 0.000 0.000) 8.054 9.601 ( -10.533 0.000 0.000) 10.533 10.270 ( 7.824 0.000 0.000) 7.824 10.474 ( -9.538 0.000 0.000) 9.538 10.787 ( 10.413 0.000 0.000) 10.413 10.953 ( 10.966 0.000 0.000) 10.966 10.967 ( -7.540 0.000 0.000) 7.540 11.266 ( -17.646 0.000 0.000) 17.646 11.808 ( 3.946 0.000 0.000) 3.946 11.818 ( 3.990 0.000 0.000) 3.990 11.896 ( -3.598 0.000 0.000) 3.598 11.898 ( -4.824 0.000 0.000) 4.824 12.313 ( 0.543 0.000 0.000) 0.543 12.333 ( -0.853 0.000 0.000) 0.853 13.211 ( 2.006 0.000 0.000) 2.006 13.251 ( -1.928 0.000 0.000) 1.928 13.436 ( 4.083 0.000 0.000) 4.083 13.506 ( -2.205 0.000 0.000) 2.205 13.702 ( 2.304 0.000 0.000) 2.304 13.731 ( -0.387 0.000 0.000) 0.387 14.433 ( 0.490 0.000 0.000) 0.490 14.443 ( -0.489 0.000 0.000) 0.489 14.884 ( 9.009 0.000 0.000) 9.009 14.929 ( 4.982 0.000 0.000) 4.982 15.335 ( 13.009 0.000 0.000) 13.009 15.502 ( -0.779 0.000 0.000) 0.779 15.546 ( -3.646 0.000 0.000) 3.646 15.600 ( -6.590 0.000 0.000) 6.590 15.962 ( 10.097 0.000 0.000) 10.097 16.293 ( -21.785 0.000 0.000) 21.785 17.746 ( 0.205 0.000 0.000) 0.205 17.751 ( -0.086 0.000 0.000) 0.086 19.651 ( 0.082 0.000 0.000) 0.082 19.653 ( -0.089 0.000 0.000) 0.089 19.780 ( 0.053 0.000 0.000) 0.053 19.781 ( -0.044 0.000 0.000) 0.044 20.339 ( 6.389 0.000 0.000) 6.389 20.455 ( -4.634 0.000 0.000) 4.634 20.913 ( 11.472 0.000 0.000) 11.472 21.165 ( -11.699 0.000 0.000) 11.699 21.531 ( -2.610 0.000 0.000) 2.610 21.594 ( -7.917 0.000 0.000) 7.917 24.523 ( 16.791 0.000 0.000) 16.791 24.818 ( -12.441 0.000 0.000) 12.441 26.137 ( 10.749 0.000 0.000) 10.749 26.324 ( -7.816 0.000 0.000) 7.816 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.000 29.872 0.000) 29.872 0.743 ( 0.000 36.091 0.000) 36.091 1.106 ( 0.000 53.220 0.000) 53.220 2.246 ( 0.000 5.934 0.000) 5.934 2.319 ( 0.000 8.475 0.000) 8.475 2.383 ( 0.000 -1.502 0.000) 1.502 2.476 ( 0.000 12.848 0.000) 12.848 2.568 ( 0.000 5.803 0.000) 5.803 2.623 ( 0.000 3.922 0.000) 3.922 2.623 ( 0.000 1.945 0.000) 1.945 3.037 ( 0.000 8.996 0.000) 8.996 3.051 ( 0.000 2.988 0.000) 2.988 3.076 ( 0.000 -0.016 0.000) 0.016 3.149 ( 0.000 8.402 0.000) 8.402 3.225 ( 0.000 -0.956 0.000) 0.956 3.348 ( 0.000 8.131 0.000) 8.131 3.384 ( 0.000 3.879 0.000) 3.879 3.585 ( 0.000 0.128 0.000) 0.128 3.661 ( 0.000 6.730 0.000) 6.730 4.034 ( 0.000 -6.631 0.000) 6.631 4.163 ( 0.000 2.480 0.000) 2.480 4.570 ( 0.000 -5.870 0.000) 5.870 4.703 ( 0.000 1.131 0.000) 1.131 5.144 ( 0.000 -1.504 0.000) 1.504 5.236 ( 0.000 24.771 0.000) 24.771 5.370 ( 0.000 28.239 0.000) 28.239 5.416 ( 0.000 22.752 0.000) 22.752 5.593 ( 0.000 26.318 0.000) 26.318 5.779 ( 0.000 5.342 0.000) 5.342 6.027 ( 0.000 1.279 0.000) 1.279 6.336 ( 0.000 3.643 0.000) 3.643 6.583 ( 0.000 -2.015 0.000) 2.015 7.011 ( 0.000 -0.238 0.000) 0.238 7.128 ( 0.000 -0.825 0.000) 0.825 7.366 ( 0.000 6.764 0.000) 6.764 7.368 ( 0.000 -0.172 0.000) 0.172 7.595 ( 0.000 7.362 0.000) 7.362 7.786 ( 0.000 3.674 0.000) 3.674 8.126 ( 0.000 0.299 0.000) 0.299 8.320 ( 0.000 -3.208 0.000) 3.208 8.330 ( 0.000 -5.749 0.000) 5.749 8.376 ( 0.000 4.051 0.000) 4.051 8.689 ( 0.000 12.769 0.000) 12.769 8.736 ( 0.000 -0.602 0.000) 0.602 8.802 ( 0.000 2.092 0.000) 2.092 8.994 ( 0.000 13.557 0.000) 13.557 8.994 ( 0.000 9.951 0.000) 9.951 9.210 ( 0.000 4.427 0.000) 4.427 9.211 ( 0.000 -10.351 0.000) 10.351 9.257 ( 0.000 -1.601 0.000) 1.601 9.897 ( 0.000 21.104 0.000) 21.104 9.921 ( 0.000 -0.709 0.000) 0.709 10.325 ( 0.000 7.443 0.000) 7.443 10.371 ( 0.000 10.805 0.000) 10.805 10.921 ( 0.000 -0.427 0.000) 0.427 11.045 ( 0.000 -5.017 0.000) 5.017 11.571 ( 0.000 -11.195 0.000) 11.195 11.672 ( 0.000 -1.906 0.000) 1.906 11.816 ( 0.000 -2.513 0.000) 2.513 11.989 ( 0.000 1.372 0.000) 1.372 12.058 ( 0.000 13.337 0.000) 13.337 12.240 ( 0.000 -3.526 0.000) 3.526 12.289 ( 0.000 3.008 0.000) 3.008 12.355 ( 0.000 -2.546 0.000) 2.546 12.903 ( 0.000 -21.563 0.000) 21.563 13.031 ( 0.000 -16.198 0.000) 16.198 13.278 ( 0.000 -29.227 0.000) 29.227 13.335 ( 0.000 -25.383 0.000) 25.383 13.760 ( 0.000 8.342 0.000) 8.342 14.123 ( 0.000 9.223 0.000) 9.223 14.479 ( 0.000 -2.090 0.000) 2.090 14.511 ( 0.000 -3.603 0.000) 3.603 14.677 ( 0.000 9.540 0.000) 9.540 15.112 ( 0.000 4.788 0.000) 4.788 15.366 ( 0.000 19.620 0.000) 19.620 15.471 ( 0.000 -3.845 0.000) 3.845 15.763 ( 0.000 -2.390 0.000) 2.390 15.908 ( 0.000 9.059 0.000) 9.059 15.958 ( 0.000 1.393 0.000) 1.393 16.816 ( 0.000 -4.018 0.000) 4.018 17.819 ( 0.000 8.397 0.000) 8.397 17.826 ( 0.000 7.567 0.000) 7.567 18.720 ( 0.000 -31.920 0.000) 31.920 19.022 ( 0.000 -45.001 0.000) 45.001 19.335 ( 0.000 -26.648 0.000) 26.648 20.111 ( 0.000 17.611 0.000) 17.611 20.518 ( 0.000 -17.414 0.000) 17.414 20.747 ( 0.000 22.708 0.000) 22.708 21.644 ( 0.000 27.454 0.000) 27.454 21.841 ( 0.000 16.360 0.000) 16.360 21.949 ( 0.000 14.823 0.000) 14.823 22.739 ( 0.000 -0.582 0.000) 0.582 24.080 ( 0.000 5.604 0.000) 5.604 24.832 ( 0.000 -7.212 0.000) 7.212 25.004 ( 0.000 -7.532 0.000) 7.532 25.708 ( 0.000 -11.036 0.000) 11.036 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 21.455 20.111 0.000) 29.407 0.905 ( 15.088 29.175 0.000) 32.846 1.440 ( 28.706 38.656 0.000) 48.149 2.139 ( -14.678 8.215 0.000) 16.821 2.175 ( -16.267 7.499 0.000) 17.912 2.360 ( 8.717 5.035 0.000) 10.067 2.469 ( -2.784 6.279 0.000) 6.868 2.570 ( 1.119 2.167 0.000) 2.439 2.654 ( 3.179 2.248 0.000) 3.894 2.671 ( 3.330 7.254 0.000) 7.982 2.907 ( -9.731 1.205 0.000) 9.806 2.967 ( -5.865 5.025 0.000) 7.724 3.043 ( -5.205 9.827 0.000) 11.120 3.242 ( 5.901 4.785 0.000) 7.597 3.273 ( 2.827 2.582 0.000) 3.829 3.285 ( 4.392 4.916 0.000) 6.592 3.532 ( -4.813 1.229 0.000) 4.968 3.623 ( 11.754 0.509 0.000) 11.765 3.747 ( 3.370 4.651 0.000) 5.743 3.969 ( -7.403 -6.595 0.000) 9.915 4.165 ( 1.201 2.735 0.000) 2.987 4.325 ( -12.055 1.733 0.000) 12.179 4.827 ( 5.651 -2.822 0.000) 6.316 5.097 ( -4.477 -1.088 0.000) 4.608 5.255 ( 1.868 24.466 0.000) 24.537 5.409 ( -1.039 24.079 0.000) 24.101 5.416 ( 3.497 28.441 0.000) 28.655 5.578 ( -1.735 27.318 0.000) 27.373 5.875 ( 8.654 2.558 0.000) 9.024 6.110 ( 5.584 -0.584 0.000) 5.614 6.304 ( -3.366 3.443 0.000) 4.815 6.500 ( -7.351 -1.228 0.000) 7.453 7.106 ( 8.619 -1.951 0.000) 8.837 7.265 ( 7.913 -10.361 0.000) 13.037 7.366 ( 1.577 5.493 0.000) 5.715 7.507 ( 10.501 -4.754 0.000) 11.527 7.740 ( 11.463 5.888 0.000) 12.886 7.764 ( -0.160 3.699 0.000) 3.703 8.101 ( -10.088 0.024 0.000) 10.088 8.121 ( -0.207 0.244 0.000) 0.320 8.413 ( 2.378 3.340 0.000) 4.100 8.441 ( 0.326 -3.638 0.000) 3.652 8.669 ( -3.292 7.674 0.000) 8.350 8.765 ( 2.546 0.338 0.000) 2.568 8.790 ( 0.217 8.551 0.000) 8.554 8.952 ( 0.746 16.338 0.000) 16.355 8.957 ( -0.920 6.878 0.000) 6.940 9.123 ( -1.786 2.575 0.000) 3.134 9.248 ( 2.831 -8.195 0.000) 8.670 9.637 ( 21.073 -9.588 0.000) 23.152 9.800 ( -13.323 0.308 0.000) 13.327 9.940 ( 2.653 22.363 0.000) 22.520 10.254 ( -8.025 13.066 0.000) 15.333 10.277 ( -3.203 6.174 0.000) 6.955 10.849 ( -3.755 -1.510 0.000) 4.048 11.010 ( -2.660 -4.177 0.000) 4.952 11.531 ( -7.701 -8.854 0.000) 11.734 11.595 ( -12.011 2.221 0.000) 12.214 11.702 ( -4.715 -1.996 0.000) 5.120 11.927 ( -12.082 6.208 0.000) 13.584 12.053 ( -6.811 10.984 0.000) 12.924 12.112 ( 2.561 12.951 0.000) 13.202 12.280 ( 2.600 -2.913 0.000) 3.904 12.400 ( 3.846 7.562 0.000) 8.484 12.907 ( 0.410 -21.586 0.000) 21.590 12.984 ( -3.515 -18.466 0.000) 18.798 13.335 ( 3.638 -29.547 0.000) 29.770 13.348 ( 1.171 -25.947 0.000) 25.973 13.712 ( -3.174 7.536 0.000) 8.178 13.851 ( -20.795 25.075 0.000) 32.576 14.538 ( 3.013 3.158 0.000) 4.365 14.575 ( 3.743 -1.409 0.000) 3.999 14.775 ( 9.359 5.240 0.000) 10.726 14.880 ( -13.810 25.794 0.000) 29.258 15.189 ( 8.459 5.951 0.000) 10.342 15.518 ( -0.120 1.451 0.000) 1.456 15.716 ( -4.446 -1.286 0.000) 4.629 15.811 ( -4.517 14.521 0.000) 15.207 15.924 ( 1.706 7.719 0.000) 7.906 16.671 ( -15.492 -3.325 0.000) 15.844 17.818 ( 0.362 7.563 0.000) 7.572 17.824 ( -0.131 7.545 0.000) 7.546 18.845 ( 7.422 -42.838 0.000) 43.476 19.017 ( -0.487 -45.117 0.000) 45.120 19.352 ( 1.646 -25.970 0.000) 26.022 19.740 ( -18.264 -3.203 0.000) 18.543 20.746 ( 12.617 -1.063 0.000) 12.662 20.788 ( 4.087 22.170 0.000) 22.544 21.498 ( -21.417 40.482 0.000) 45.798 21.618 ( -3.935 26.699 0.000) 26.987 21.834 ( -8.936 17.116 0.000) 19.308 22.117 ( -20.624 30.014 0.000) 36.417 24.137 ( 13.481 -3.691 0.000) 13.977 24.934 ( -6.770 -7.385 0.000) 10.018 25.782 ( 31.633 -40.794 0.000) 51.622 25.799 ( 8.008 -12.221 0.000) 14.611 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 21.459 19.403 0.000) 28.931 1.315 ( 24.310 13.615 0.000) 27.863 1.713 ( -18.093 14.617 0.000) 23.260 1.789 ( -21.903 10.993 0.000) 24.507 2.161 ( 29.847 14.591 0.000) 33.223 2.444 ( -0.397 7.098 0.000) 7.110 2.488 ( 2.985 2.713 0.000) 4.034 2.552 ( -2.963 1.509 0.000) 3.325 2.703 ( -1.588 0.309 0.000) 1.617 2.758 ( 4.794 8.032 0.000) 9.354 2.801 ( 2.397 6.495 0.000) 6.923 2.813 ( -9.918 0.393 0.000) 9.925 2.957 ( -0.085 11.599 0.000) 11.599 3.210 ( -17.385 6.760 0.000) 18.653 3.322 ( 2.616 6.450 0.000) 6.960 3.366 ( -4.611 7.692 0.000) 8.968 3.427 ( 8.005 1.022 0.000) 8.069 3.596 ( -10.150 0.096 0.000) 10.150 3.819 ( 7.869 -1.837 0.000) 8.080 3.916 ( -1.305 -1.862 0.000) 2.274 4.223 ( 3.262 1.128 0.000) 3.451 4.242 ( 0.529 -0.062 0.000) 0.533 4.912 ( 3.394 -1.501 0.000) 3.711 4.992 ( -5.168 -0.286 0.000) 5.176 5.306 ( 3.131 24.444 0.000) 24.644 5.369 ( -2.862 24.743 0.000) 24.908 5.477 ( 2.579 30.468 0.000) 30.577 5.530 ( -2.825 29.861 0.000) 29.994 6.061 ( 8.774 -0.158 0.000) 8.775 6.207 ( -6.143 1.766 0.000) 6.392 6.218 ( 5.645 0.286 0.000) 5.652 6.345 ( -7.314 -0.594 0.000) 7.338 7.290 ( 8.070 -6.477 0.000) 10.347 7.364 ( 1.064 -10.627 0.000) 10.680 7.434 ( 4.921 3.737 0.000) 6.179 7.546 ( -4.920 -0.183 0.000) 4.923 7.921 ( 12.707 -1.433 0.000) 12.788 7.930 ( 4.823 0.645 0.000) 4.866 7.982 ( -0.115 2.881 0.000) 2.883 8.162 ( 4.862 2.105 0.000) 5.298 8.281 ( -13.999 1.812 0.000) 14.115 8.353 ( -8.071 2.635 0.000) 8.490 8.746 ( 11.763 8.043 0.000) 14.250 8.816 ( 1.800 2.252 0.000) 2.883 8.826 ( 2.401 8.232 0.000) 8.575 8.947 ( -4.155 5.202 0.000) 6.657 8.994 ( 4.534 5.111 0.000) 6.832 9.109 ( -2.389 8.964 0.000) 9.277 9.307 ( 3.280 -3.468 0.000) 4.773 9.457 ( -15.658 0.613 0.000) 15.670 9.873 ( 2.491 10.204 0.000) 10.504 9.925 ( -3.646 19.674 0.000) 20.009 10.221 ( 4.783 -2.030 0.000) 5.196 10.267 ( 1.010 1.397 0.000) 1.724 10.914 ( 11.471 -3.521 0.000) 11.999 10.998 ( 3.514 4.233 0.000) 5.501 11.216 ( -18.340 17.030 0.000) 25.028 11.239 ( -18.326 -3.927 0.000) 18.742 11.705 ( 2.559 -6.119 0.000) 6.633 11.770 ( -4.078 -2.235 0.000) 4.650 12.055 ( 2.408 9.386 0.000) 9.690 12.111 ( -2.459 12.355 0.000) 12.597 12.337 ( 3.792 3.886 0.000) 5.429 12.414 ( -2.711 9.279 0.000) 9.667 12.917 ( 0.591 -21.799 0.000) 21.807 12.934 ( -1.384 -21.560 0.000) 21.604 13.372 ( 1.025 -27.480 0.000) 27.499 13.378 ( 0.682 -28.815 0.000) 28.823 13.627 ( -2.161 13.884 0.000) 14.051 13.654 ( -2.833 7.381 0.000) 7.906 14.571 ( 0.777 7.111 0.000) 7.153 14.584 ( -0.762 7.555 0.000) 7.594 14.909 ( 6.681 4.422 0.000) 8.012 14.941 ( 4.606 2.177 0.000) 5.095 15.438 ( 12.802 6.324 0.000) 14.279 15.506 ( -0.256 0.501 0.000) 0.563 15.622 ( -2.191 4.108 0.000) 4.656 15.728 ( -5.734 15.464 0.000) 16.493 15.997 ( 7.163 3.835 0.000) 8.125 16.281 ( -20.535 -1.142 0.000) 20.566 17.823 ( 0.071 7.402 0.000) 7.402 17.824 ( 0.073 7.165 0.000) 7.165 18.952 ( 3.536 -45.630 0.000) 45.767 18.999 ( -1.485 -45.438 0.000) 45.463 19.402 ( 3.561 -23.484 0.000) 23.752 19.504 ( -7.309 -17.401 0.000) 18.874 20.902 ( 6.816 18.883 0.000) 20.076 20.958 ( 6.154 1.977 0.000) 6.464 21.239 ( -3.338 42.518 0.000) 42.649 21.411 ( -14.544 24.678 0.000) 28.645 21.755 ( 1.169 24.606 0.000) 24.634 21.849 ( -8.513 26.044 0.000) 27.400 24.455 ( 16.426 -6.195 0.000) 17.555 24.744 ( -12.250 -6.994 0.000) 14.106 25.967 ( 7.495 -15.930 0.000) 17.605 26.044 ( 1.363 -24.306 0.000) 24.344 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 29.357 0.000) 29.357 1.425 ( 0.000 31.707 0.000) 31.707 2.100 ( 0.000 45.584 0.000) 45.584 2.400 ( 0.000 9.063 0.000) 9.063 2.412 ( 0.000 4.994 0.000) 4.994 2.556 ( 0.000 14.557 0.000) 14.557 2.639 ( 0.000 6.745 0.000) 6.745 2.665 ( 0.000 2.766 0.000) 2.766 2.729 ( 0.000 6.575 0.000) 6.575 2.860 ( 0.000 16.994 0.000) 16.994 3.107 ( 0.000 2.987 0.000) 2.987 3.137 ( 0.000 5.347 0.000) 5.347 3.182 ( 0.000 -1.826 0.000) 1.826 3.249 ( 0.000 11.418 0.000) 11.418 3.335 ( 0.000 7.199 0.000) 7.199 3.537 ( 0.000 10.288 0.000) 10.288 3.539 ( 0.000 13.246 0.000) 13.246 3.664 ( 0.000 7.190 0.000) 7.190 3.838 ( 0.000 9.584 0.000) 9.584 3.886 ( 0.000 -7.754 0.000) 7.754 4.260 ( 0.000 7.076 0.000) 7.076 4.524 ( 0.000 1.336 0.000) 1.336 4.746 ( 0.000 3.250 0.000) 3.250 5.100 ( 0.000 -2.806 0.000) 2.806 5.782 ( 0.000 25.259 0.000) 25.259 5.823 ( 0.000 9.098 0.000) 9.098 5.849 ( 0.000 14.770 0.000) 14.770 6.030 ( 0.000 3.421 0.000) 3.421 6.104 ( 0.000 32.474 0.000) 32.474 6.234 ( 0.000 29.040 0.000) 29.040 6.471 ( 0.000 10.833 0.000) 10.833 6.600 ( 0.000 6.029 0.000) 6.029 7.014 ( 0.000 0.895 0.000) 0.895 7.119 ( 0.000 0.613 0.000) 0.613 7.361 ( 0.000 -0.206 0.000) 0.206 7.577 ( 0.000 13.746 0.000) 13.746 7.809 ( 0.000 13.788 0.000) 13.788 7.900 ( 0.000 7.207 0.000) 7.207 8.074 ( 0.000 -4.276 0.000) 4.276 8.233 ( 0.000 -5.685 0.000) 5.685 8.260 ( 0.000 0.080 0.000) 0.080 8.466 ( 0.000 3.601 0.000) 3.601 8.658 ( 0.000 -7.293 0.000) 7.293 8.881 ( 0.000 2.932 0.000) 2.932 8.949 ( 0.000 12.358 0.000) 12.358 9.190 ( 0.000 10.820 0.000) 10.820 9.254 ( 0.000 15.946 0.000) 15.946 9.298 ( 0.000 6.780 0.000) 6.780 9.312 ( 0.000 17.773 0.000) 17.773 9.356 ( 0.000 10.498 0.000) 10.498 9.936 ( 0.000 2.568 0.000) 2.568 10.320 ( 0.000 18.719 0.000) 18.719 10.506 ( 0.000 9.948 0.000) 9.948 10.569 ( 0.000 7.843 0.000) 7.843 10.980 ( 0.000 6.810 0.000) 6.810 11.047 ( 0.000 7.996 0.000) 7.996 11.344 ( 0.000 -10.717 0.000) 10.717 11.606 ( 0.000 -4.900 0.000) 4.900 11.663 ( 0.000 -12.251 0.000) 12.251 11.991 ( 0.000 -5.289 0.000) 5.289 12.166 ( 0.000 -1.642 0.000) 1.642 12.211 ( 0.000 -10.806 0.000) 10.806 12.347 ( 0.000 13.481 0.000) 13.481 12.376 ( 0.000 5.294 0.000) 5.294 12.578 ( 0.000 -4.113 0.000) 4.113 12.596 ( 0.000 -37.996 0.000) 37.996 12.725 ( 0.000 -33.141 0.000) 33.141 12.781 ( 0.000 -9.016 0.000) 9.016 13.852 ( 0.000 1.389 0.000) 1.389 14.217 ( 0.000 -0.986 0.000) 0.986 14.377 ( 0.000 -7.304 0.000) 7.304 14.429 ( 0.000 -3.319 0.000) 3.319 14.899 ( 0.000 11.320 0.000) 11.320 15.225 ( 0.000 5.754 0.000) 5.754 15.384 ( 0.000 -4.579 0.000) 4.579 15.699 ( 0.000 -3.477 0.000) 3.477 15.797 ( 0.000 21.559 0.000) 21.559 15.980 ( 0.000 0.842 0.000) 0.842 16.144 ( 0.000 13.490 0.000) 13.490 16.703 ( 0.000 -7.158 0.000) 7.158 18.034 ( 0.000 12.688 0.000) 12.688 18.046 ( 0.000 13.642 0.000) 13.642 18.116 ( 0.000 -27.233 0.000) 27.233 18.190 ( 0.000 -36.841 0.000) 36.841 18.729 ( 0.000 -32.053 0.000) 32.053 20.057 ( 0.000 -27.375 0.000) 27.375 20.316 ( 0.000 3.405 0.000) 3.405 20.891 ( 0.000 -5.124 0.000) 5.124 22.251 ( 0.000 30.715 0.000) 30.715 22.256 ( 0.000 22.225 0.000) 22.225 22.414 ( 0.000 27.228 0.000) 27.228 22.702 ( 0.000 -3.217 0.000) 3.217 24.220 ( 0.000 7.635 0.000) 7.635 24.651 ( 0.000 -9.902 0.000) 9.902 24.799 ( 0.000 -12.342 0.000) 12.342 25.402 ( 0.000 -18.778 0.000) 18.778 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 10.764 24.621 0.000) 26.871 1.507 ( 8.162 29.407 0.000) 30.518 2.244 ( 9.080 35.800 0.000) 36.934 2.312 ( -11.275 7.238 0.000) 13.398 2.346 ( -5.266 13.808 0.000) 14.778 2.539 ( 2.698 13.285 0.000) 13.556 2.607 ( -1.278 4.998 0.000) 5.159 2.704 ( 3.824 3.076 0.000) 4.908 2.708 ( -1.763 10.525 0.000) 10.672 2.867 ( 1.922 11.643 0.000) 11.800 2.989 ( -6.132 6.759 0.000) 9.126 3.057 ( -7.536 4.875 0.000) 8.975 3.241 ( 3.691 7.048 0.000) 7.956 3.374 ( 0.411 8.808 0.000) 8.817 3.381 ( 6.246 8.391 0.000) 10.461 3.436 ( 1.088 9.139 0.000) 9.203 3.616 ( -3.868 6.498 0.000) 7.562 3.680 ( 6.780 6.656 0.000) 9.501 3.813 ( -6.631 -2.270 0.000) 7.009 3.909 ( 3.418 4.016 0.000) 5.273 4.277 ( 1.778 8.015 0.000) 8.210 4.407 ( -8.087 6.859 0.000) 10.604 4.804 ( 4.424 0.415 0.000) 4.444 5.067 ( -3.179 -1.896 0.000) 3.702 5.787 ( 1.241 23.459 0.000) 23.492 5.904 ( 7.442 7.180 0.000) 10.341 5.910 ( 5.096 15.070 0.000) 15.908 6.026 ( -2.492 19.653 0.000) 19.811 6.131 ( 3.588 15.251 0.000) 15.668 6.242 ( 0.684 29.798 0.000) 29.806 6.439 ( -3.318 10.613 0.000) 11.120 6.546 ( -5.413 9.828 0.000) 11.220 7.084 ( 6.232 0.272 0.000) 6.238 7.170 ( 4.307 -0.877 0.000) 4.395 7.433 ( 6.476 -3.395 0.000) 7.312 7.560 ( -0.462 14.130 0.000) 14.137 7.877 ( -0.926 7.282 0.000) 7.340 7.908 ( 7.728 9.529 0.000) 12.268 8.057 ( -1.302 -4.991 0.000) 5.158 8.143 ( -4.824 5.562 0.000) 7.362 8.321 ( 2.221 -7.718 0.000) 8.032 8.474 ( -0.418 3.420 0.000) 3.446 8.711 ( 4.432 -5.831 0.000) 7.324 8.862 ( -1.320 -0.830 0.000) 1.560 8.930 ( -2.337 17.301 0.000) 17.458 9.152 ( -0.434 10.024 0.000) 10.033 9.158 ( -6.148 7.873 0.000) 9.989 9.318 ( 5.218 15.425 0.000) 16.284 9.323 ( 1.294 15.961 0.000) 16.013 9.636 ( 18.059 7.548 0.000) 19.573 9.872 ( -7.201 6.419 0.000) 9.647 10.339 ( -0.109 14.579 0.000) 14.580 10.459 ( -4.147 12.014 0.000) 12.709 10.513 ( -4.172 10.483 0.000) 11.282 10.856 ( -9.053 3.765 0.000) 9.805 11.037 ( 1.030 8.833 0.000) 8.893 11.332 ( -2.951 -8.665 0.000) 9.153 11.551 ( -5.562 -4.562 0.000) 7.193 11.593 ( -5.414 -10.000 0.000) 11.372 11.983 ( -4.040 0.264 0.000) 4.048 12.069 ( -7.780 -8.028 0.000) 11.179 12.156 ( -0.439 -5.220 0.000) 5.238 12.423 ( 6.044 12.934 0.000) 14.277 12.492 ( 4.993 -7.694 0.000) 9.172 12.512 ( 1.284 -8.823 0.000) 8.916 12.674 ( -5.206 -19.400 0.000) 20.086 12.696 ( 4.462 -25.787 0.000) 26.171 12.762 ( -0.584 -22.178 0.000) 22.186 13.792 ( -3.435 1.241 0.000) 3.653 14.134 ( -9.181 5.266 0.000) 10.584 14.490 ( 5.554 -5.344 0.000) 7.708 14.494 ( 7.896 -6.186 0.000) 10.030 14.950 ( 4.776 10.097 0.000) 11.170 15.231 ( -12.439 5.931 0.000) 13.781 15.312 ( 8.753 5.385 0.000) 10.277 15.657 ( -7.135 13.257 0.000) 15.055 15.682 ( -1.024 -1.485 0.000) 1.804 16.041 ( 2.552 9.294 0.000) 9.638 16.141 ( -0.240 12.948 0.000) 12.950 16.578 ( -12.694 -5.892 0.000) 13.994 18.012 ( -1.693 4.801 0.000) 5.091 18.024 ( -0.819 9.908 0.000) 9.942 18.154 ( 2.188 -20.894 0.000) 21.008 18.193 ( 0.211 -33.897 0.000) 33.898 18.763 ( 3.471 -31.084 0.000) 31.277 19.530 ( -28.852 -17.133 0.000) 33.556 20.659 ( 15.209 -7.394 0.000) 16.911 20.904 ( 1.167 -6.289 0.000) 6.396 22.117 ( -9.748 26.088 0.000) 27.850 22.215 ( -5.178 30.548 0.000) 30.984 22.354 ( -3.308 29.061 0.000) 29.248 22.601 ( -9.047 13.784 0.000) 16.488 24.118 ( 3.815 2.622 0.000) 4.629 24.734 ( -6.164 -11.841 0.000) 13.350 25.145 ( 27.630 -23.986 0.000) 36.589 25.468 ( 5.483 -19.935 0.000) 20.675 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 18.640 15.125 0.000) 24.005 1.733 ( 13.841 23.768 0.000) 27.505 1.994 ( -18.801 9.310 0.000) 20.980 2.044 ( -15.554 17.339 0.000) 23.293 2.552 ( 9.044 14.391 0.000) 16.997 2.615 ( 0.486 5.870 0.000) 5.890 2.635 ( 8.348 18.585 0.000) 20.374 2.675 ( -0.377 11.955 0.000) 11.961 2.744 ( -1.655 3.802 0.000) 4.147 2.883 ( -10.071 8.000 0.000) 12.862 2.944 ( 4.765 9.982 0.000) 11.061 2.974 ( 4.175 10.499 0.000) 11.299 3.221 ( 0.792 13.727 0.000) 13.750 3.396 ( -8.181 10.712 0.000) 13.478 3.447 ( 5.640 3.635 0.000) 6.710 3.508 ( 3.706 8.333 0.000) 9.120 3.530 ( -3.440 7.752 0.000) 8.481 3.618 ( -9.334 2.746 0.000) 9.730 3.814 ( 6.612 2.416 0.000) 7.039 3.919 ( -3.086 1.985 0.000) 3.669 4.315 ( 1.277 7.769 0.000) 7.873 4.321 ( -0.501 8.158 0.000) 8.173 4.896 ( 4.627 -0.245 0.000) 4.633 4.987 ( -4.539 -0.344 0.000) 4.552 5.841 ( 4.176 23.115 0.000) 23.489 5.940 ( -5.306 24.060 0.000) 24.638 6.020 ( 5.215 12.280 0.000) 13.341 6.054 ( 4.428 2.269 0.000) 4.975 6.199 ( 4.006 23.776 0.000) 24.112 6.285 ( 4.504 18.201 0.000) 18.750 6.337 ( -7.122 14.361 0.000) 16.030 6.406 ( -7.451 14.194 0.000) 16.031 7.208 ( 4.851 -1.171 0.000) 4.990 7.241 ( 1.646 -1.807 0.000) 2.444 7.549 ( 3.553 -1.087 0.000) 3.716 7.568 ( 0.706 9.535 0.000) 9.561 7.907 ( 3.239 2.751 0.000) 4.250 7.965 ( -2.440 1.852 0.000) 3.063 8.110 ( 3.002 7.895 0.000) 8.447 8.117 ( 6.336 -5.460 0.000) 8.364 8.318 ( -2.230 -2.842 0.000) 3.612 8.371 ( -9.041 9.560 0.000) 13.158 8.793 ( 3.242 -3.938 0.000) 5.100 8.837 ( -1.417 -2.886 0.000) 3.215 8.937 ( 4.354 9.178 0.000) 10.158 9.045 ( -5.606 6.753 0.000) 8.777 9.249 ( 9.522 17.002 0.000) 19.487 9.356 ( 0.863 13.480 0.000) 13.508 9.417 ( 4.415 12.396 0.000) 13.159 9.608 ( -15.307 12.982 0.000) 20.071 10.011 ( 15.879 9.037 0.000) 18.270 10.253 ( -8.448 13.725 0.000) 16.117 10.382 ( -2.343 8.956 0.000) 9.257 10.417 ( -5.353 14.005 0.000) 14.993 10.826 ( 9.074 -4.146 0.000) 9.976 11.101 ( -8.690 -3.315 0.000) 9.301 11.182 ( 2.689 8.205 0.000) 8.634 11.388 ( -10.678 1.876 0.000) 10.841 11.576 ( 4.504 -7.084 0.000) 8.395 11.748 ( -12.472 0.894 0.000) 12.504 12.075 ( 3.074 -7.417 0.000) 8.029 12.134 ( -2.262 -7.434 0.000) 7.771 12.491 ( 0.488 -18.433 0.000) 18.440 12.511 ( 0.198 -6.135 0.000) 6.139 12.604 ( 1.033 0.806 0.000) 1.310 12.618 ( 2.377 3.149 0.000) 3.945 12.755 ( 1.418 -25.000 0.000) 25.040 12.761 ( 0.200 -26.816 0.000) 26.816 13.771 ( 1.923 4.799 0.000) 5.169 13.900 ( -11.188 11.107 0.000) 15.765 14.590 ( 3.101 -5.185 0.000) 6.042 14.597 ( 2.294 -4.290 0.000) 4.865 15.046 ( 3.304 7.005 0.000) 7.745 15.077 ( -2.223 8.574 0.000) 8.857 15.489 ( 4.781 1.412 0.000) 4.985 15.554 ( -3.796 5.524 0.000) 6.703 15.768 ( 13.899 6.702 0.000) 15.430 16.046 ( -4.407 14.601 0.000) 15.251 16.138 ( 0.236 10.433 0.000) 10.435 16.248 ( -16.278 -2.111 0.000) 16.414 17.998 ( 0.064 2.788 0.000) 2.788 18.007 ( -0.764 5.323 0.000) 5.378 18.184 ( 0.939 -23.336 0.000) 23.354 18.194 ( -0.132 -28.428 0.000) 28.428 18.872 ( 7.757 -28.139 0.000) 29.188 19.093 ( -15.539 -22.802 0.000) 27.593 20.865 ( 6.131 -9.372 0.000) 11.199 20.921 ( -0.174 -8.941 0.000) 8.943 21.989 ( -1.794 32.130 0.000) 32.180 22.057 ( -7.791 32.752 0.000) 33.666 22.349 ( 2.158 29.471 0.000) 29.550 22.434 ( -6.559 26.070 0.000) 26.882 24.319 ( 13.094 -6.058 0.000) 14.427 24.564 ( -10.818 -10.082 0.000) 14.788 25.508 ( 9.198 -26.688 0.000) 28.228 25.561 ( 2.429 -23.022 0.000) 23.150 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.000 27.437 0.000) 27.437 2.000 ( 0.000 25.609 0.000) 25.609 2.579 ( 0.000 11.167 0.000) 11.167 2.591 ( 0.000 9.841 0.000) 9.841 2.750 ( 0.000 5.804 0.000) 5.804 2.785 ( 0.000 7.300 0.000) 7.300 2.820 ( 0.000 18.593 0.000) 18.593 2.876 ( 0.000 7.697 0.000) 7.697 2.968 ( 0.000 32.203 0.000) 32.203 3.026 ( 0.000 -0.026 0.000) 0.026 3.193 ( 0.000 6.717 0.000) 6.717 3.264 ( 0.000 7.387 0.000) 7.387 3.283 ( 0.000 10.973 0.000) 10.973 3.426 ( 0.000 2.981 0.000) 2.981 3.461 ( 0.000 8.642 0.000) 8.642 3.731 ( 0.000 -7.139 0.000) 7.139 3.740 ( 0.000 9.549 0.000) 9.549 3.846 ( 0.000 10.667 0.000) 10.667 3.871 ( 0.000 17.855 0.000) 17.855 3.984 ( 0.000 4.227 0.000) 4.227 4.432 ( 0.000 9.671 0.000) 9.671 4.644 ( 0.000 10.673 0.000) 10.673 4.832 ( 0.000 5.230 0.000) 5.230 5.036 ( 0.000 -3.466 0.000) 3.466 5.926 ( 0.000 -3.423 0.000) 3.423 5.940 ( 0.000 3.834 0.000) 3.834 6.069 ( 0.000 1.652 0.000) 1.652 6.130 ( 0.000 10.127 0.000) 10.127 6.692 ( 0.000 13.343 0.000) 13.343 6.757 ( 0.000 14.637 0.000) 14.637 6.759 ( 0.000 27.820 0.000) 27.820 6.804 ( 0.000 11.221 0.000) 11.221 7.073 ( 0.000 5.991 0.000) 5.991 7.188 ( 0.000 6.390 0.000) 6.390 7.391 ( 0.000 4.400 0.000) 4.400 7.743 ( 0.000 -3.187 0.000) 3.187 8.038 ( 0.000 6.191 0.000) 6.191 8.065 ( 0.000 -11.211 0.000) 11.211 8.128 ( 0.000 13.871 0.000) 13.871 8.133 ( 0.000 18.101 0.000) 18.101 8.373 ( 0.000 11.201 0.000) 11.201 8.536 ( 0.000 -1.883 0.000) 1.883 8.548 ( 0.000 6.794 0.000) 6.794 8.924 ( 0.000 3.164 0.000) 3.164 9.221 ( 0.000 12.920 0.000) 12.920 9.488 ( 0.000 9.782 0.000) 9.782 9.499 ( 0.000 16.718 0.000) 16.718 9.617 ( 0.000 19.528 0.000) 19.528 9.620 ( 0.000 14.819 0.000) 14.819 9.730 ( 0.000 25.390 0.000) 25.390 10.030 ( 0.000 6.664 0.000) 6.664 10.556 ( 0.000 8.433 0.000) 8.433 10.752 ( 0.000 12.327 0.000) 12.327 10.795 ( 0.000 18.169 0.000) 18.169 11.100 ( 0.000 -15.453 0.000) 15.453 11.100 ( 0.000 2.406 0.000) 2.406 11.304 ( 0.000 9.755 0.000) 9.755 11.468 ( 0.000 -9.417 0.000) 9.417 11.478 ( 0.000 -2.218 0.000) 2.218 11.694 ( 0.000 -15.751 0.000) 15.751 11.777 ( 0.000 -42.134 0.000) 42.134 12.029 ( 0.000 -27.169 0.000) 27.169 12.178 ( 0.000 4.185 0.000) 4.185 12.213 ( 0.000 6.234 0.000) 6.234 12.503 ( 0.000 6.439 0.000) 6.439 12.629 ( 0.000 -6.628 0.000) 6.628 12.635 ( 0.000 10.951 0.000) 10.951 12.689 ( 0.000 12.357 0.000) 12.357 13.845 ( 0.000 -1.463 0.000) 1.463 14.076 ( 0.000 -11.749 0.000) 11.749 14.206 ( 0.000 -9.440 0.000) 9.440 14.393 ( 0.000 -1.523 0.000) 1.523 15.093 ( 0.000 6.739 0.000) 6.739 15.293 ( 0.000 -4.534 0.000) 4.534 15.311 ( 0.000 2.114 0.000) 2.114 15.669 ( 0.000 2.299 0.000) 2.299 16.009 ( 0.000 2.741 0.000) 2.741 16.182 ( 0.000 16.246 0.000) 16.246 16.405 ( 0.000 11.609 0.000) 11.609 16.533 ( 0.000 -9.845 0.000) 9.845 17.589 ( 0.000 -22.323 0.000) 22.323 17.660 ( 0.000 -17.773 0.000) 17.773 18.091 ( 0.000 -29.599 0.000) 29.599 18.320 ( 0.000 14.178 0.000) 14.178 18.339 ( 0.000 14.937 0.000) 14.937 19.471 ( 0.000 -30.046 0.000) 30.046 20.292 ( 0.000 -4.863 0.000) 4.863 20.673 ( 0.000 -14.741 0.000) 14.741 22.613 ( 0.000 -5.525 0.000) 5.525 22.617 ( 0.000 11.806 0.000) 11.806 22.800 ( 0.000 22.819 0.000) 22.819 22.879 ( 0.000 16.952 0.000) 16.952 24.360 ( 0.000 5.852 0.000) 5.852 24.484 ( 0.000 -5.750 0.000) 5.750 24.545 ( 0.000 -11.932 0.000) 11.932 24.994 ( 0.000 -21.003 0.000) 21.003 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 3.516 24.465 0.000) 24.716 2.048 ( 4.837 24.312 0.000) 24.788 2.478 ( -12.443 8.501 0.000) 15.070 2.541 ( -5.680 10.539 0.000) 11.972 2.724 ( 0.150 7.155 0.000) 7.156 2.776 ( 1.351 9.761 0.000) 9.854 2.792 ( -0.459 11.580 0.000) 11.589 2.889 ( -0.604 7.802 0.000) 7.825 3.018 ( 3.584 26.333 0.000) 26.576 3.043 ( 2.564 6.447 0.000) 6.938 3.176 ( 1.179 14.885 0.000) 14.931 3.228 ( -4.832 10.022 0.000) 11.126 3.353 ( 6.769 5.664 0.000) 8.826 3.473 ( 2.603 1.967 0.000) 3.262 3.569 ( 6.794 9.261 0.000) 11.486 3.658 ( -4.363 11.212 0.000) 12.031 3.706 ( -2.014 -2.006 0.000) 2.842 3.810 ( -3.583 7.709 0.000) 8.501 3.911 ( 2.242 14.930 0.000) 15.097 3.992 ( 0.219 2.373 0.000) 2.384 4.460 ( 2.345 9.684 0.000) 9.964 4.606 ( -3.431 12.622 0.000) 13.080 4.851 ( 2.094 4.384 0.000) 4.859 5.023 ( -1.363 -2.382 0.000) 2.744 5.939 ( 1.368 -3.733 0.000) 3.976 5.970 ( 2.418 1.578 0.000) 2.887 6.112 ( 3.547 1.597 0.000) 3.890 6.135 ( 0.693 8.529 0.000) 8.557 6.643 ( -4.549 18.893 0.000) 19.433 6.674 ( -4.865 11.320 0.000) 12.321 6.823 ( 6.238 23.931 0.000) 24.730 6.884 ( 4.350 17.302 0.000) 17.840 7.138 ( 5.717 6.115 0.000) 8.372 7.210 ( 2.397 5.758 0.000) 6.237 7.394 ( 0.878 0.698 0.000) 1.122 7.807 ( 6.016 -2.730 0.000) 6.606 7.982 ( -9.480 13.149 0.000) 16.210 8.018 ( 0.275 2.355 0.000) 2.371 8.146 ( -3.336 9.923 0.000) 10.469 8.156 ( 4.080 -4.295 0.000) 5.924 8.342 ( 0.042 13.601 0.000) 13.602 8.606 ( 5.699 -2.133 0.000) 6.085 8.630 ( 7.762 13.703 0.000) 15.749 8.869 ( -4.413 2.607 0.000) 5.126 9.304 ( -6.194 18.987 0.000) 19.972 9.360 ( 4.575 10.412 0.000) 11.373 9.402 ( -5.282 16.026 0.000) 16.874 9.657 ( -3.120 16.635 0.000) 16.925 9.686 ( 2.517 18.592 0.000) 18.762 9.850 ( 15.263 11.907 0.000) 19.358 10.052 ( 0.537 11.773 0.000) 11.786 10.536 ( -1.542 9.126 0.000) 9.256 10.714 ( -2.353 12.179 0.000) 12.405 10.739 ( -6.028 13.974 0.000) 15.218 10.962 ( -11.755 4.823 0.000) 12.706 11.107 ( 0.982 -9.198 0.000) 9.250 11.352 ( 2.727 8.580 0.000) 9.003 11.391 ( -5.886 -12.136 0.000) 13.488 11.395 ( -6.045 -5.219 0.000) 7.986 11.717 ( 1.262 -28.462 0.000) 28.490 11.827 ( 4.119 -23.701 0.000) 24.056 12.010 ( -1.857 -26.887 0.000) 26.951 12.105 ( -6.793 4.280 0.000) 8.029 12.138 ( -6.000 3.291 0.000) 6.844 12.579 ( -3.356 -5.286 0.000) 6.262 12.580 ( 4.779 6.856 0.000) 8.357 12.649 ( -1.580 7.244 0.000) 7.414 12.721 ( 5.721 10.436 0.000) 11.901 13.795 ( -1.454 -0.341 0.000) 1.494 14.096 ( 0.308 -8.334 0.000) 8.339 14.331 ( 8.507 -9.551 0.000) 12.790 14.405 ( 1.457 -3.023 0.000) 3.356 15.112 ( 1.598 4.617 0.000) 4.885 15.240 ( -4.550 -2.342 0.000) 5.117 15.398 ( 8.310 3.425 0.000) 8.988 15.691 ( 2.913 3.494 0.000) 4.549 15.903 ( -8.082 9.625 0.000) 12.569 16.243 ( 4.070 11.137 0.000) 11.857 16.395 ( -0.984 11.323 0.000) 11.365 16.436 ( -9.674 -8.423 0.000) 12.827 17.585 ( -0.269 -21.911 0.000) 21.913 17.643 ( -1.602 -17.748 0.000) 17.820 18.141 ( 5.065 -28.216 0.000) 28.667 18.326 ( 0.533 13.566 0.000) 13.577 18.337 ( -0.164 14.647 0.000) 14.648 19.108 ( -26.988 -23.559 0.000) 35.824 20.472 ( 11.099 -10.845 0.000) 15.518 20.675 ( 0.180 -14.837 0.000) 14.839 22.509 ( -3.569 10.608 0.000) 11.192 22.727 ( 4.326 2.228 0.000) 4.866 22.750 ( -5.984 21.026 0.000) 21.861 22.843 ( -1.973 18.149 0.000) 18.256 24.219 ( -3.108 6.250 0.000) 6.981 24.497 ( -4.462 -10.852 0.000) 11.734 24.776 ( 16.710 -13.386 0.000) 21.410 25.045 ( 4.055 -21.232 0.000) 21.616 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 9.874 16.851 0.000) 19.531 2.173 ( -7.588 13.835 0.000) 15.779 2.192 ( 1.057 16.373 0.000) 16.407 2.376 ( -9.841 15.384 0.000) 18.262 2.766 ( 2.224 9.360 0.000) 9.621 2.780 ( 0.457 12.105 0.000) 12.114 2.835 ( 1.993 5.452 0.000) 5.804 2.863 ( -1.444 7.581 0.000) 7.717 3.048 ( 1.217 15.460 0.000) 15.508 3.104 ( -1.882 11.095 0.000) 11.254 3.149 ( 2.770 10.296 0.000) 10.662 3.235 ( -0.583 15.434 0.000) 15.445 3.471 ( 2.666 9.005 0.000) 9.392 3.513 ( 8.368 5.436 0.000) 9.978 3.571 ( -5.184 4.832 0.000) 7.087 3.677 ( 4.011 8.611 0.000) 9.499 3.691 ( -7.305 9.690 0.000) 12.135 3.720 ( 0.020 7.714 0.000) 7.714 3.947 ( 1.535 10.078 0.000) 10.194 3.977 ( -1.518 2.878 0.000) 3.254 4.503 ( 1.772 10.190 0.000) 10.343 4.540 ( -2.506 12.675 0.000) 12.920 4.912 ( 3.659 2.387 0.000) 4.369 4.980 ( -2.951 -0.005 0.000) 2.951 5.978 ( 2.212 -4.227 0.000) 4.771 6.003 ( 0.227 -2.796 0.000) 2.806 6.158 ( 1.373 5.483 0.000) 5.652 6.167 ( 1.177 2.624 0.000) 2.876 6.566 ( -1.794 16.092 0.000) 16.192 6.588 ( -3.408 11.895 0.000) 12.374 6.938 ( 3.390 31.274 0.000) 31.458 6.947 ( 1.767 25.865 0.000) 25.925 7.250 ( 4.343 5.930 0.000) 7.350 7.273 ( 2.350 4.689 0.000) 5.245 7.472 ( 8.764 -5.119 0.000) 10.149 7.730 ( -14.647 3.957 0.000) 15.172 7.959 ( 7.438 -8.583 0.000) 11.358 8.031 ( 0.240 -1.475 0.000) 1.495 8.086 ( -1.337 12.310 0.000) 12.382 8.130 ( -4.738 5.806 0.000) 7.494 8.472 ( 11.175 15.311 0.000) 18.955 8.694 ( -7.663 19.343 0.000) 20.806 8.726 ( 5.592 -0.632 0.000) 5.627 8.796 ( -1.062 1.810 0.000) 2.098 9.165 ( 0.669 13.919 0.000) 13.935 9.281 ( -7.219 17.281 0.000) 18.728 9.581 ( 9.880 15.608 0.000) 18.472 9.617 ( -0.008 12.539 0.000) 12.539 9.705 ( 2.322 14.100 0.000) 14.290 9.906 ( -10.930 15.307 0.000) 18.808 10.244 ( 17.907 10.989 0.000) 21.010 10.531 ( -0.719 13.415 0.000) 13.435 10.558 ( -9.017 8.945 0.000) 12.701 10.660 ( -7.615 9.991 0.000) 12.562 10.828 ( 6.130 7.122 0.000) 9.396 11.067 ( -11.259 3.147 0.000) 11.691 11.212 ( -1.113 -10.532 0.000) 10.591 11.277 ( -5.178 -12.313 0.000) 13.357 11.524 ( 9.987 -2.063 0.000) 10.197 11.697 ( -5.094 -23.348 0.000) 23.897 11.916 ( 4.555 -5.995 0.000) 7.529 11.964 ( -2.272 -22.838 0.000) 22.951 11.971 ( -3.997 -8.908 0.000) 9.763 12.020 ( -5.471 -3.558 0.000) 6.526 12.529 ( -0.928 -2.022 0.000) 2.225 12.550 ( -2.757 3.257 0.000) 4.268 12.745 ( 5.671 3.563 0.000) 6.698 12.797 ( 0.894 6.827 0.000) 6.885 13.852 ( 7.038 3.010 0.000) 7.655 14.021 ( -7.850 0.614 0.000) 7.874 14.451 ( 2.940 -9.325 0.000) 9.777 14.451 ( 2.260 -7.508 0.000) 7.841 15.137 ( 0.694 1.186 0.000) 1.374 15.160 ( -2.520 0.332 0.000) 2.542 15.582 ( 8.479 8.083 0.000) 11.715 15.739 ( -8.002 11.732 0.000) 14.201 15.843 ( 13.544 1.750 0.000) 13.657 16.166 ( -16.561 -4.089 0.000) 17.058 16.315 ( 3.085 9.991 0.000) 10.456 16.366 ( -2.009 10.578 0.000) 10.767 17.586 ( 0.505 -20.481 0.000) 20.488 17.607 ( -1.637 -18.600 0.000) 18.672 18.281 ( 7.096 -12.365 0.000) 14.257 18.330 ( -0.649 13.574 0.000) 13.590 18.355 ( 4.714 -0.101 0.000) 4.715 18.623 ( -19.956 -22.777 0.000) 30.283 20.626 ( 4.500 -13.842 0.000) 14.555 20.673 ( -0.777 -14.807 0.000) 14.827 22.494 ( 2.374 17.046 0.000) 17.211 22.599 ( -7.572 19.806 0.000) 21.204 22.785 ( 1.907 9.300 0.000) 9.493 22.815 ( -1.251 15.916 0.000) 15.965 24.256 ( 5.438 0.054 0.000) 5.439 24.384 ( -6.592 -6.918 0.000) 9.555 25.032 ( 8.228 -20.231 0.000) 21.840 25.102 ( 0.559 -21.655 0.000) 21.662 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.000 23.627 0.000) 23.627 2.448 ( 0.000 19.309 0.000) 19.309 2.780 ( 0.000 8.840 0.000) 8.840 2.825 ( 0.000 12.279 0.000) 12.279 2.869 ( 0.000 -0.358 0.000) 0.358 2.888 ( 0.000 7.528 0.000) 7.528 3.014 ( 0.000 5.583 0.000) 5.583 3.055 ( 0.000 5.004 0.000) 5.004 3.100 ( 0.000 10.279 0.000) 10.279 3.263 ( 0.000 6.581 0.000) 6.581 3.425 ( 0.000 7.708 0.000) 7.708 3.462 ( 0.000 6.363 0.000) 6.363 3.475 ( 0.000 2.778 0.000) 2.778 3.512 ( 0.000 -3.646 0.000) 3.646 3.662 ( 0.000 0.220 0.000) 0.220 3.664 ( 0.000 29.262 0.000) 29.262 3.902 ( 0.000 6.340 0.000) 6.340 4.040 ( 0.000 2.774 0.000) 2.774 4.071 ( 0.000 10.999 0.000) 10.999 4.207 ( 0.000 15.172 0.000) 15.172 4.632 ( 0.000 10.006 0.000) 10.006 4.902 ( 0.000 13.400 0.000) 13.400 4.946 ( 0.000 5.956 0.000) 5.956 4.971 ( 0.000 -2.794 0.000) 2.794 5.836 ( 0.000 -3.553 0.000) 3.553 5.986 ( 0.000 0.997 0.000) 0.997 6.109 ( 0.000 2.580 0.000) 2.580 6.259 ( 0.000 3.893 0.000) 3.893 6.829 ( 0.000 3.699 0.000) 3.699 6.966 ( 0.000 7.333 0.000) 7.333 6.999 ( 0.000 8.603 0.000) 8.603 7.114 ( 0.000 8.772 0.000) 8.772 7.251 ( 0.000 -3.574 0.000) 3.574 7.268 ( 0.000 12.181 0.000) 12.181 7.570 ( 0.000 12.120 0.000) 12.120 7.598 ( 0.000 -7.511 0.000) 7.511 7.895 ( 0.000 -2.019 0.000) 2.019 8.164 ( 0.000 6.828 0.000) 6.828 8.343 ( 0.000 4.020 0.000) 4.020 8.512 ( 0.000 19.028 0.000) 19.028 8.611 ( 0.000 8.451 0.000) 8.451 8.661 ( 0.000 16.329 0.000) 16.329 8.862 ( 0.000 24.140 0.000) 24.140 8.990 ( 0.000 2.731 0.000) 2.731 9.425 ( 0.000 7.101 0.000) 7.101 9.622 ( 0.000 3.566 0.000) 3.566 9.778 ( 0.000 10.289 0.000) 10.289 9.894 ( 0.000 11.263 0.000) 11.263 10.000 ( 0.000 18.277 0.000) 18.277 10.181 ( 0.000 7.603 0.000) 7.603 10.337 ( 0.000 32.037 0.000) 32.037 10.647 ( 0.000 -12.184 0.000) 12.184 10.766 ( 0.000 -16.372 0.000) 16.372 10.865 ( 0.000 -7.015 0.000) 7.015 10.900 ( 0.000 -38.745 0.000) 38.745 11.137 ( 0.000 -0.535 0.000) 0.535 11.217 ( 0.000 17.399 0.000) 17.399 11.221 ( 0.000 11.608 0.000) 11.608 11.287 ( 0.000 -11.982 0.000) 11.982 11.533 ( 0.000 3.317 0.000) 3.317 11.541 ( 0.000 5.597 0.000) 5.597 11.938 ( 0.000 10.805 0.000) 10.805 12.326 ( 0.000 10.366 0.000) 10.366 12.343 ( 0.000 1.029 0.000) 1.029 12.590 ( 0.000 8.415 0.000) 8.415 12.618 ( 0.000 4.592 0.000) 4.592 12.801 ( 0.000 5.008 0.000) 5.008 12.999 ( 0.000 17.015 0.000) 17.015 13.784 ( 0.000 -16.953 0.000) 16.953 13.812 ( 0.000 -1.588 0.000) 1.588 14.014 ( 0.000 -9.329 0.000) 9.329 14.338 ( 0.000 -4.127 0.000) 4.127 15.137 ( 0.000 -1.569 0.000) 1.569 15.205 ( 0.000 -3.963 0.000) 3.963 15.291 ( 0.000 -4.083 0.000) 4.083 15.842 ( 0.000 14.390 0.000) 14.390 16.113 ( 0.000 7.945 0.000) 7.945 16.297 ( 0.000 -12.420 0.000) 12.420 16.444 ( 0.000 8.850 0.000) 8.850 16.579 ( 0.000 5.683 0.000) 5.683 17.317 ( 0.000 -5.479 0.000) 5.479 17.423 ( 0.000 -6.019 0.000) 6.019 17.545 ( 0.000 -23.594 0.000) 23.594 18.591 ( 0.000 4.896 0.000) 4.896 18.620 ( 0.000 15.101 0.000) 15.101 18.925 ( 0.000 -18.859 0.000) 18.859 20.147 ( 0.000 -9.143 0.000) 9.143 20.347 ( 0.000 -17.136 0.000) 17.136 22.493 ( 0.000 -6.158 0.000) 6.158 22.704 ( 0.000 -2.291 0.000) 2.291 23.049 ( 0.000 0.201 0.000) 0.201 23.116 ( 0.000 7.801 0.000) 7.801 24.360 ( 0.000 -6.110 0.000) 6.110 24.434 ( 0.000 0.168 0.000) 0.168 24.444 ( 0.000 2.493 0.000) 2.493 24.611 ( 0.000 -16.076 0.000) 16.076 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -1.176 21.826 0.000) 21.858 2.475 ( 2.607 18.289 0.000) 18.474 2.610 ( -13.709 4.482 0.000) 14.423 2.744 ( -3.468 9.588 0.000) 10.196 2.906 ( 3.025 10.729 0.000) 11.148 2.908 ( 1.790 6.834 0.000) 7.064 3.035 ( -1.227 6.753 0.000) 6.863 3.070 ( -2.284 11.965 0.000) 12.181 3.159 ( 7.545 4.321 0.000) 8.695 3.261 ( -0.093 6.700 0.000) 6.701 3.369 ( -4.373 4.336 0.000) 6.158 3.459 ( 2.613 3.742 0.000) 4.564 3.512 ( 2.667 4.558 0.000) 5.281 3.643 ( 2.076 -2.675 0.000) 3.386 3.691 ( 1.861 25.865 0.000) 25.932 3.708 ( 9.605 3.058 0.000) 10.080 3.847 ( -2.756 7.344 0.000) 7.844 3.983 ( -4.813 5.460 0.000) 7.278 4.052 ( -2.338 7.491 0.000) 7.848 4.212 ( -0.694 14.219 0.000) 14.236 4.645 ( 1.527 8.445 0.000) 8.582 4.868 ( -2.918 12.084 0.000) 12.432 4.976 ( 2.079 7.880 0.000) 8.149 4.987 ( 1.375 -0.654 0.000) 1.522 5.846 ( 1.134 -3.638 0.000) 3.810 5.976 ( -0.963 -0.518 0.000) 1.094 6.154 ( 3.360 2.394 0.000) 4.125 6.242 ( -1.308 3.106 0.000) 3.370 6.862 ( -5.937 8.002 0.000) 9.964 6.866 ( -1.337 6.232 0.000) 6.373 7.022 ( 2.781 -0.069 0.000) 2.781 7.101 ( 6.609 6.439 0.000) 9.227 7.346 ( 6.165 11.861 0.000) 13.368 7.410 ( 9.534 6.934 0.000) 11.788 7.507 ( -5.195 11.297 0.000) 12.434 7.654 ( 4.968 -6.956 0.000) 8.548 7.873 ( -1.558 -7.227 0.000) 7.393 8.192 ( -13.783 4.749 0.000) 14.578 8.303 ( 10.279 11.936 0.000) 15.752 8.473 ( -2.667 21.169 0.000) 21.337 8.604 ( 0.340 9.900 0.000) 9.906 8.710 ( 5.549 14.167 0.000) 15.215 8.911 ( -4.080 5.483 0.000) 6.834 9.028 ( 10.722 19.250 0.000) 22.035 9.536 ( 6.678 6.668 0.000) 9.437 9.645 ( -6.323 13.786 0.000) 15.167 9.705 ( 3.303 11.804 0.000) 12.257 9.907 ( 3.795 7.082 0.000) 8.035 10.009 ( -2.099 14.415 0.000) 14.567 10.093 ( -4.326 11.117 0.000) 11.929 10.370 ( -0.760 18.008 0.000) 18.024 10.639 ( -0.043 -14.043 0.000) 14.043 10.772 ( -0.081 -11.496 0.000) 11.497 10.841 ( -1.813 -16.976 0.000) 17.072 10.932 ( 2.718 -17.794 0.000) 18.001 11.101 ( -4.869 9.135 0.000) 10.352 11.123 ( -9.663 -11.054 0.000) 14.682 11.169 ( -2.771 0.184 0.000) 2.778 11.189 ( -3.404 11.074 0.000) 11.585 11.461 ( -7.967 6.857 0.000) 10.511 11.660 ( 8.697 0.822 0.000) 8.736 11.942 ( 0.799 11.459 0.000) 11.486 12.266 ( -5.440 10.728 0.000) 12.029 12.267 ( -8.153 6.562 0.000) 10.466 12.516 ( -2.325 1.504 0.000) 2.769 12.686 ( 5.819 3.992 0.000) 7.056 12.877 ( 3.537 5.344 0.000) 6.408 12.881 ( -9.972 13.177 0.000) 16.525 13.791 ( 1.204 -0.088 0.000) 1.207 13.861 ( 5.766 -13.719 0.000) 14.881 14.131 ( 7.951 -9.897 0.000) 12.696 14.338 ( -0.211 -4.178 0.000) 4.183 15.127 ( -0.611 -1.886 0.000) 1.983 15.180 ( -2.212 -3.098 0.000) 3.807 15.406 ( 10.710 -3.540 0.000) 11.280 15.871 ( 2.908 14.348 0.000) 14.639 16.080 ( -3.492 8.963 0.000) 9.620 16.230 ( -6.575 -11.141 0.000) 12.936 16.452 ( 0.967 8.460 0.000) 8.515 16.564 ( -1.462 5.508 0.000) 5.698 17.318 ( 0.415 -5.431 0.000) 5.447 17.411 ( -1.192 -5.648 0.000) 5.773 17.611 ( 6.525 -22.943 0.000) 23.853 18.510 ( -11.833 -11.138 0.000) 16.250 18.624 ( 0.378 15.122 0.000) 15.127 18.746 ( -10.251 1.667 0.000) 10.385 20.236 ( 6.322 -12.571 0.000) 14.071 20.350 ( 0.322 -17.008 0.000) 17.011 22.533 ( 3.893 -4.497 0.000) 5.948 22.749 ( 4.356 -2.004 0.000) 4.795 22.973 ( -7.036 1.058 0.000) 7.115 23.084 ( -3.259 5.824 0.000) 6.674 24.332 ( -3.424 4.649 0.000) 5.773 24.336 ( -1.771 -4.938 0.000) 5.246 24.595 ( 7.751 -5.498 0.000) 9.503 24.666 ( 4.307 -15.626 0.000) 16.209 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 2.295 16.723 0.000) 16.880 2.374 ( -9.073 9.737 0.000) 13.309 2.550 ( 4.711 15.886 0.000) 16.570 2.653 ( -5.291 12.343 0.000) 13.429 2.951 ( 2.346 5.893 0.000) 6.343 2.973 ( 2.967 10.513 0.000) 10.924 3.000 ( -1.909 6.162 0.000) 6.451 3.028 ( -2.066 11.867 0.000) 12.045 3.261 ( 0.226 7.269 0.000) 7.273 3.267 ( 1.181 5.153 0.000) 5.286 3.338 ( 3.968 7.999 0.000) 8.929 3.461 ( -5.374 3.145 0.000) 6.227 3.545 ( 3.252 6.780 0.000) 7.519 3.617 ( -3.124 1.211 0.000) 3.350 3.750 ( 5.139 11.600 0.000) 12.687 3.867 ( -5.597 7.810 0.000) 9.609 3.874 ( 4.232 11.226 0.000) 11.997 3.930 ( 5.350 9.051 0.000) 10.514 3.999 ( 1.129 1.274 0.000) 1.702 4.144 ( -6.426 8.267 0.000) 10.471 4.700 ( 4.028 9.530 0.000) 10.347 4.791 ( -4.634 11.875 0.000) 12.747 5.009 ( 1.027 7.140 0.000) 7.214 5.011 ( 0.775 3.665 0.000) 3.746 5.885 ( 2.718 -3.699 0.000) 4.590 5.942 ( -2.557 -2.701 0.000) 3.719 6.204 ( 1.458 1.097 0.000) 1.824 6.221 ( -0.700 1.436 0.000) 1.598 6.770 ( -2.642 7.005 0.000) 7.487 6.776 ( -3.441 6.378 0.000) 7.247 7.243 ( 7.252 6.706 0.000) 9.877 7.275 ( 16.489 0.429 0.000) 16.494 7.380 ( -6.553 7.187 0.000) 9.726 7.441 ( 1.265 8.793 0.000) 8.883 7.584 ( 7.348 17.105 0.000) 18.617 7.745 ( 0.901 -6.518 0.000) 6.579 7.839 ( -1.880 -10.970 0.000) 11.130 7.866 ( -14.559 7.706 0.000) 16.472 8.429 ( 1.906 17.887 0.000) 17.988 8.441 ( -0.520 20.330 0.000) 20.337 8.658 ( 5.105 4.270 0.000) 6.655 8.786 ( -7.132 1.626 0.000) 7.315 8.919 ( 14.415 17.902 0.000) 22.984 9.163 ( -5.308 20.490 0.000) 21.167 9.492 ( 5.856 18.223 0.000) 19.141 9.666 ( -5.875 17.625 0.000) 18.578 9.857 ( 14.586 9.727 0.000) 17.532 9.868 ( -4.812 12.947 0.000) 13.812 9.907 ( -4.591 7.544 0.000) 8.831 10.160 ( -7.873 8.587 0.000) 11.650 10.342 ( 12.593 -1.312 0.000) 12.661 10.618 ( -6.675 -11.568 0.000) 13.356 10.742 ( -0.835 -1.528 0.000) 1.741 10.789 ( -3.424 -15.335 0.000) 15.713 10.963 ( -2.101 -11.182 0.000) 11.378 10.975 ( -4.563 -6.183 0.000) 7.685 11.058 ( 6.638 1.846 0.000) 6.890 11.144 ( -0.450 -6.803 0.000) 6.818 11.145 ( -0.804 2.839 0.000) 2.951 11.254 ( -11.540 10.198 0.000) 15.400 11.836 ( 9.034 2.937 0.000) 9.499 11.971 ( -0.085 11.641 0.000) 11.641 12.085 ( -6.260 7.390 0.000) 9.685 12.138 ( -6.612 12.095 0.000) 13.784 12.541 ( 4.323 2.958 0.000) 5.238 12.678 ( -9.208 7.735 0.000) 12.026 12.808 ( 5.612 2.844 0.000) 6.291 12.888 ( -2.145 3.069 0.000) 3.744 13.874 ( 5.445 -1.165 0.000) 5.568 13.935 ( 0.449 -7.927 0.000) 7.940 14.260 ( 4.622 -8.952 0.000) 10.075 14.320 ( -1.795 -5.644 0.000) 5.923 15.120 ( 0.005 -1.928 0.000) 1.928 15.136 ( -1.745 -1.927 0.000) 2.600 15.673 ( 14.972 -2.956 0.000) 15.261 15.946 ( -10.973 2.567 0.000) 11.269 15.954 ( 5.286 12.310 0.000) 13.397 16.076 ( -7.285 1.469 0.000) 7.431 16.482 ( 1.981 6.786 0.000) 7.069 16.526 ( -2.214 5.604 0.000) 6.025 17.339 ( 1.694 -4.850 0.000) 5.137 17.378 ( -1.973 -4.931 0.000) 5.311 17.804 ( 13.160 -22.003 0.000) 25.638 18.139 ( -20.139 -21.214 0.000) 29.251 18.635 ( 0.760 15.185 0.000) 15.204 18.657 ( -1.628 14.922 0.000) 15.011 20.329 ( 2.731 -15.470 0.000) 15.709 20.354 ( -0.180 -16.569 0.000) 16.569 22.642 ( 7.072 -0.992 0.000) 7.141 22.805 ( -8.970 1.128 0.000) 9.041 22.863 ( 6.610 -0.698 0.000) 6.647 22.991 ( -5.895 2.320 0.000) 6.336 24.297 ( -0.371 3.044 0.000) 3.066 24.306 ( -1.076 -1.194 0.000) 1.607 24.715 ( 3.762 -11.502 0.000) 12.102 24.734 ( 1.723 -14.566 0.000) 14.668 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 0.000 17.877 0.000) 17.877 2.762 ( 0.000 8.366 0.000) 8.366 2.839 ( 0.000 2.711 0.000) 2.711 2.938 ( 0.000 6.804 0.000) 6.804 2.968 ( 0.000 -0.940 0.000) 0.940 3.034 ( 0.000 6.801 0.000) 6.801 3.127 ( 0.000 7.474 0.000) 7.474 3.182 ( 0.000 6.537 0.000) 6.537 3.220 ( 0.000 2.759 0.000) 2.759 3.417 ( 0.000 7.639 0.000) 7.639 3.463 ( 0.000 0.302 0.000) 0.302 3.477 ( 0.000 0.258 0.000) 0.258 3.549 ( 0.000 2.643 0.000) 2.643 3.620 ( 0.000 8.445 0.000) 8.445 3.625 ( 0.000 -4.339 0.000) 4.339 3.952 ( 0.000 0.555 0.000) 0.555 4.123 ( 0.000 5.331 0.000) 5.331 4.195 ( 0.000 21.408 0.000) 21.408 4.257 ( 0.000 7.175 0.000) 7.175 4.468 ( 0.000 10.880 0.000) 10.880 4.817 ( 0.000 8.050 0.000) 8.050 4.934 ( 0.000 -0.741 0.000) 0.741 5.063 ( 0.000 5.639 0.000) 5.639 5.122 ( 0.000 7.792 0.000) 7.792 5.839 ( 0.000 4.355 0.000) 4.355 5.997 ( 0.000 0.557 0.000) 0.557 6.164 ( 0.000 2.088 0.000) 2.088 6.303 ( 0.000 0.554 0.000) 0.554 6.912 ( 0.000 4.950 0.000) 4.950 7.103 ( 0.000 6.769 0.000) 6.769 7.120 ( 0.000 -4.572 0.000) 4.572 7.158 ( 0.000 7.117 0.000) 7.117 7.211 ( 0.000 2.216 0.000) 2.216 7.518 ( 0.000 12.414 0.000) 12.414 7.520 ( 0.000 0.931 0.000) 0.931 7.774 ( 0.000 6.704 0.000) 6.704 7.981 ( 0.000 8.370 0.000) 8.370 8.315 ( 0.000 7.940 0.000) 7.940 8.349 ( 0.000 -2.314 0.000) 2.314 8.808 ( 0.000 5.088 0.000) 5.088 8.822 ( 0.000 11.010 0.000) 11.010 8.993 ( 0.000 16.087 0.000) 16.087 9.070 ( 0.000 9.587 0.000) 9.587 9.367 ( 0.000 22.658 0.000) 22.658 9.513 ( 0.000 3.279 0.000) 3.279 9.660 ( 0.000 1.179 0.000) 1.179 9.839 ( 0.000 -27.115 0.000) 27.115 9.887 ( 0.000 -4.846 0.000) 4.846 10.121 ( 0.000 -21.421 0.000) 21.421 10.277 ( 0.000 -0.172 0.000) 0.172 10.281 ( 0.000 1.666 0.000) 1.666 10.284 ( 0.000 -2.914 0.000) 2.914 10.538 ( 0.000 2.136 0.000) 2.136 10.726 ( 0.000 -2.277 0.000) 2.277 11.000 ( 0.000 0.545 0.000) 0.545 11.102 ( 0.000 15.964 0.000) 15.964 11.226 ( 0.000 -5.115 0.000) 5.115 11.301 ( 0.000 10.708 0.000) 10.708 11.599 ( 0.000 10.983 0.000) 10.983 11.621 ( 0.000 1.385 0.000) 1.385 11.897 ( 0.000 23.582 0.000) 23.582 12.232 ( 0.000 20.091 0.000) 20.091 12.289 ( 0.000 -1.961 0.000) 1.961 12.575 ( 0.000 13.728 0.000) 13.728 12.669 ( 0.000 0.319 0.000) 0.319 12.824 ( 0.000 -2.554 0.000) 2.554 12.896 ( 0.000 16.223 0.000) 16.223 13.317 ( 0.000 13.935 0.000) 13.935 13.420 ( 0.000 -18.601 0.000) 18.601 13.783 ( 0.000 -1.333 0.000) 1.333 13.846 ( 0.000 -7.069 0.000) 7.069 14.226 ( 0.000 -7.205 0.000) 7.205 15.077 ( 0.000 -3.713 0.000) 3.713 15.162 ( 0.000 0.620 0.000) 0.620 15.177 ( 0.000 -6.277 0.000) 6.277 16.024 ( 0.000 -14.129 0.000) 14.129 16.188 ( 0.000 18.801 0.000) 18.801 16.319 ( 0.000 12.129 0.000) 12.129 16.589 ( 0.000 6.254 0.000) 6.254 16.662 ( 0.000 3.473 0.000) 3.473 17.182 ( 0.000 -12.188 0.000) 12.188 17.290 ( 0.000 0.381 0.000) 0.381 17.386 ( 0.000 1.123 0.000) 1.123 18.277 ( 0.000 -22.985 0.000) 22.985 18.917 ( 0.000 14.449 0.000) 14.449 18.989 ( 0.000 12.238 0.000) 12.238 19.940 ( 0.000 -11.275 0.000) 11.275 20.010 ( 0.000 -16.058 0.000) 16.058 22.380 ( 0.000 -4.816 0.000) 4.816 22.584 ( 0.000 -8.141 0.000) 8.141 22.944 ( 0.000 -8.564 0.000) 8.564 23.109 ( 0.000 -7.254 0.000) 7.254 24.286 ( 0.000 -2.082 0.000) 2.082 24.380 ( 0.000 -7.168 0.000) 7.168 24.452 ( 0.000 0.870 0.000) 0.870 24.465 ( 0.000 -0.117 0.000) 0.117 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -3.632 17.323 0.000) 17.700 2.665 ( -7.520 2.576 0.000) 7.949 2.800 ( 0.606 13.545 0.000) 13.559 2.919 ( -1.802 7.820 0.000) 8.025 3.038 ( 0.488 5.799 0.000) 5.820 3.083 ( 3.883 0.816 0.000) 3.968 3.137 ( -0.221 5.993 0.000) 5.997 3.213 ( 5.570 3.527 0.000) 6.593 3.230 ( 0.642 4.045 0.000) 4.095 3.395 ( -1.714 6.576 0.000) 6.796 3.446 ( -0.874 3.723 0.000) 3.824 3.474 ( -0.401 -0.173 0.000) 0.436 3.601 ( 2.725 -2.047 0.000) 3.408 3.654 ( 2.871 7.223 0.000) 7.772 3.692 ( 7.675 -2.972 0.000) 8.230 3.930 ( -2.378 1.077 0.000) 2.610 4.091 ( -2.706 6.463 0.000) 7.006 4.134 ( -3.662 17.736 0.000) 18.110 4.224 ( -3.009 7.395 0.000) 7.983 4.452 ( -4.718 9.149 0.000) 10.294 4.800 ( 2.136 7.697 0.000) 7.988 5.015 ( 5.602 3.313 0.000) 6.508 5.057 ( -1.063 7.275 0.000) 7.352 5.139 ( 1.494 7.058 0.000) 7.214 5.842 ( 0.402 3.679 0.000) 3.701 5.970 ( -2.325 0.203 0.000) 2.334 6.187 ( 1.220 0.134 0.000) 1.227 6.275 ( -2.468 0.221 0.000) 2.478 6.965 ( -3.630 4.620 0.000) 5.876 7.014 ( 6.445 1.792 0.000) 6.690 7.018 ( -6.776 7.725 0.000) 10.276 7.208 ( 4.789 4.126 0.000) 6.321 7.437 ( 13.855 -2.293 0.000) 14.043 7.489 ( 1.987 3.467 0.000) 3.996 7.672 ( 7.292 9.352 0.000) 11.858 7.716 ( -4.441 8.674 0.000) 9.745 7.851 ( -7.336 3.783 0.000) 8.254 8.248 ( -8.737 1.100 0.000) 8.806 8.553 ( 16.215 11.929 0.000) 20.130 8.805 ( -1.643 10.349 0.000) 10.478 8.807 ( -1.492 4.926 0.000) 5.147 9.005 ( -5.419 10.696 0.000) 11.990 9.040 ( 6.000 16.259 0.000) 17.331 9.437 ( 6.104 17.714 0.000) 18.736 9.617 ( 9.730 2.377 0.000) 10.016 9.832 ( 5.679 -8.907 0.000) 10.564 9.837 ( -3.502 3.378 0.000) 4.866 9.857 ( 11.693 -11.684 0.000) 16.530 10.083 ( -2.106 -26.792 0.000) 26.875 10.179 ( -6.212 -0.193 0.000) 6.215 10.288 ( -2.619 8.786 0.000) 9.168 10.288 ( -2.227 -5.540 0.000) 5.971 10.507 ( -1.636 -6.101 0.000) 6.317 10.598 ( -11.616 1.746 0.000) 11.746 10.877 ( -9.491 -10.770 0.000) 14.355 11.176 ( 5.886 15.279 0.000) 16.373 11.280 ( 3.674 3.476 0.000) 5.058 11.285 ( -1.749 9.319 0.000) 9.482 11.406 ( -15.839 6.357 0.000) 17.067 11.621 ( -2.680 7.606 0.000) 8.064 11.936 ( 3.874 21.134 0.000) 21.486 12.187 ( -0.907 9.582 0.000) 9.625 12.354 ( 1.885 9.460 0.000) 9.646 12.507 ( -4.913 11.849 0.000) 12.827 12.637 ( -8.824 4.372 0.000) 9.848 12.747 ( 5.641 2.826 0.000) 6.309 12.986 ( 1.586 7.294 0.000) 7.464 13.062 ( -14.919 2.086 0.000) 15.064 13.627 ( 10.449 -6.654 0.000) 12.388 13.778 ( 1.722 -1.455 0.000) 2.255 13.958 ( 7.801 -6.888 0.000) 10.407 14.228 ( -0.175 -7.104 0.000) 7.106 15.076 ( 0.126 -2.747 0.000) 2.750 15.147 ( -1.418 0.716 0.000) 1.589 15.286 ( 10.123 -7.159 0.000) 12.399 15.963 ( -6.120 -13.340 0.000) 14.677 16.210 ( 2.060 18.149 0.000) 18.265 16.313 ( -0.642 12.317 0.000) 12.334 16.595 ( 0.488 6.311 0.000) 6.330 16.648 ( -1.185 3.831 0.000) 4.010 17.234 ( 4.936 -10.077 0.000) 11.221 17.312 ( 2.513 -1.791 0.000) 3.086 17.378 ( -0.820 1.069 0.000) 1.347 18.113 ( -14.981 -20.322 0.000) 25.247 18.921 ( 0.396 14.435 0.000) 14.441 18.973 ( -1.203 13.323 0.000) 13.378 19.977 ( 2.823 -13.131 0.000) 13.431 20.016 ( 0.516 -16.027 0.000) 16.035 22.426 ( 4.600 -5.130 0.000) 6.890 22.636 ( 4.974 -8.097 0.000) 9.502 22.880 ( -6.112 -7.937 0.000) 10.017 23.056 ( -5.047 -7.511 0.000) 9.049 24.281 ( 0.315 -1.251 0.000) 1.290 24.398 ( -2.744 1.965 0.000) 3.375 24.438 ( 4.472 -7.518 0.000) 8.748 24.520 ( 2.621 -2.716 0.000) 3.774 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -2.016 9.428 0.000) 9.641 2.580 ( -2.989 14.832 0.000) 15.130 2.828 ( 2.013 12.087 0.000) 12.253 2.874 ( -2.490 9.864 0.000) 10.174 3.055 ( 1.176 4.096 0.000) 4.262 3.084 ( -1.657 2.159 0.000) 2.722 3.170 ( 3.003 8.185 0.000) 8.718 3.223 ( -1.721 7.060 0.000) 7.267 3.329 ( 4.135 1.501 0.000) 4.399 3.368 ( -0.888 3.640 0.000) 3.747 3.436 ( 0.098 1.458 0.000) 1.461 3.456 ( -1.371 -1.227 0.000) 1.840 3.656 ( 3.083 2.816 0.000) 4.175 3.697 ( 0.208 6.324 0.000) 6.327 3.856 ( 4.957 -5.579 0.000) 7.463 3.879 ( -1.252 1.369 0.000) 1.856 4.071 ( 3.677 8.451 0.000) 9.216 4.105 ( 0.652 10.794 0.000) 10.814 4.159 ( -2.838 8.424 0.000) 8.889 4.272 ( -11.558 5.343 0.000) 12.733 4.901 ( 6.281 10.621 0.000) 12.340 5.008 ( -4.014 9.700 0.000) 10.498 5.116 ( 4.016 5.881 0.000) 7.121 5.159 ( -0.216 6.747 0.000) 6.750 5.862 ( 1.839 1.763 0.000) 2.547 5.914 ( -3.073 0.186 0.000) 3.079 6.200 ( 0.549 -1.797 0.000) 1.878 6.225 ( -2.124 -1.021 0.000) 2.357 6.885 ( -1.856 5.856 0.000) 6.143 6.904 ( -3.748 6.924 0.000) 7.873 7.255 ( 11.800 -0.456 0.000) 11.809 7.311 ( 4.128 -0.239 0.000) 4.135 7.558 ( 3.913 4.556 0.000) 6.006 7.571 ( 0.016 8.404 0.000) 8.404 7.673 ( -2.828 -2.069 0.000) 3.504 7.704 ( -5.145 5.413 0.000) 7.468 7.847 ( 10.334 7.984 0.000) 13.059 8.059 ( -9.607 8.137 0.000) 12.590 8.754 ( -2.123 2.874 0.000) 3.573 8.759 ( -1.381 5.299 0.000) 5.476 8.792 ( 6.360 17.384 0.000) 18.511 8.899 ( -4.965 15.599 0.000) 16.370 9.266 ( 14.593 13.613 0.000) 19.957 9.477 ( -4.912 8.575 0.000) 9.882 9.844 ( 9.961 13.295 0.000) 16.613 9.870 ( 3.498 -5.002 0.000) 6.104 9.891 ( 10.805 -0.595 0.000) 10.821 10.037 ( -4.659 -4.461 0.000) 6.451 10.067 ( 0.719 -25.459 0.000) 25.469 10.125 ( -3.708 -4.457 0.000) 5.798 10.133 ( -8.561 10.074 0.000) 13.220 10.259 ( -8.613 3.776 0.000) 9.405 10.398 ( 9.307 -6.211 0.000) 11.189 10.517 ( 1.421 -12.777 0.000) 12.856 10.727 ( -2.626 -11.060 0.000) 11.368 10.986 ( -23.186 1.924 0.000) 23.266 11.253 ( 1.478 2.211 0.000) 2.660 11.270 ( -0.898 5.579 0.000) 5.651 11.386 ( 7.108 17.953 0.000) 19.309 11.527 ( -6.406 13.768 0.000) 15.185 12.049 ( 7.335 15.950 0.000) 17.556 12.190 ( -3.324 8.473 0.000) 9.102 12.304 ( -0.658 14.611 0.000) 14.626 12.396 ( -6.201 12.612 0.000) 14.054 12.619 ( 5.562 3.491 0.000) 6.567 12.788 ( -10.699 2.073 0.000) 10.898 12.867 ( 4.730 3.603 0.000) 5.946 12.957 ( -3.601 4.802 0.000) 6.002 13.782 ( 4.847 -5.536 0.000) 7.358 13.818 ( 0.909 -3.299 0.000) 3.422 14.107 ( 6.589 -6.653 0.000) 9.364 14.202 ( -2.836 -6.753 0.000) 7.324 15.086 ( 0.928 -0.974 0.000) 1.346 15.113 ( -1.743 0.422 0.000) 1.793 15.533 ( 13.578 -9.018 0.000) 16.300 15.787 ( -11.318 -11.360 0.000) 16.035 16.257 ( 2.320 16.051 0.000) 16.218 16.294 ( -1.363 13.549 0.000) 13.617 16.607 ( 0.699 6.015 0.000) 6.055 16.624 ( -1.099 4.936 0.000) 5.057 17.315 ( 2.494 0.020 0.000) 2.494 17.354 ( -1.577 0.923 0.000) 1.827 17.452 ( 12.325 -12.440 0.000) 17.512 17.765 ( -18.157 -15.647 0.000) 23.969 18.932 ( 0.755 14.373 0.000) 14.393 18.950 ( -1.058 14.147 0.000) 14.187 20.020 ( 1.192 -15.174 0.000) 15.221 20.026 ( 0.341 -15.868 0.000) 15.872 22.554 ( 7.956 -5.807 0.000) 9.850 22.725 ( -8.798 -6.746 0.000) 11.087 22.766 ( 7.734 -8.060 0.000) 11.170 22.925 ( -7.773 -7.910 0.000) 11.090 24.305 ( 1.863 0.407 0.000) 1.907 24.348 ( -2.359 1.733 0.000) 2.927 24.519 ( 3.135 -7.480 0.000) 8.111 24.550 ( 0.127 -5.789 0.000) 5.791 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 0.000 -0.981 0.000) 0.981 2.873 ( 0.000 -6.034 0.000) 6.034 2.973 ( 0.000 9.357 0.000) 9.357 3.042 ( 0.000 10.443 0.000) 10.443 3.045 ( 0.000 3.645 0.000) 3.645 3.157 ( 0.000 5.483 0.000) 5.483 3.243 ( 0.000 2.646 0.000) 2.646 3.247 ( 0.000 0.380 0.000) 0.380 3.300 ( 0.000 5.144 0.000) 5.144 3.482 ( 0.000 0.826 0.000) 0.826 3.505 ( 0.000 2.619 0.000) 2.619 3.510 ( 0.000 -6.189 0.000) 6.189 3.525 ( 0.000 2.644 0.000) 2.644 3.575 ( 0.000 0.067 0.000) 0.067 3.761 ( 0.000 5.403 0.000) 5.403 3.913 ( 0.000 -3.425 0.000) 3.425 4.238 ( 0.000 5.796 0.000) 5.796 4.348 ( 0.000 1.820 0.000) 1.820 4.539 ( 0.000 12.618 0.000) 12.618 4.639 ( 0.000 6.008 0.000) 6.008 4.934 ( 0.000 3.337 0.000) 3.337 4.937 ( 0.000 0.738 0.000) 0.738 5.165 ( 0.000 4.246 0.000) 4.246 5.217 ( 0.000 2.203 0.000) 2.203 5.986 ( 0.000 9.095 0.000) 9.095 6.020 ( 0.000 1.878 0.000) 1.878 6.154 ( 0.000 -3.126 0.000) 3.126 6.275 ( 0.000 -3.552 0.000) 3.552 7.018 ( 0.000 6.105 0.000) 6.105 7.203 ( 0.000 12.608 0.000) 12.608 7.217 ( 0.000 -1.669 0.000) 1.669 7.231 ( 0.000 5.533 0.000) 5.533 7.271 ( 0.000 3.948 0.000) 3.948 7.651 ( 0.000 11.362 0.000) 11.362 7.750 ( 0.000 10.171 0.000) 10.171 7.796 ( 0.000 -5.548 0.000) 5.548 8.173 ( 0.000 10.009 0.000) 10.009 8.276 ( 0.000 -4.101 0.000) 4.101 8.441 ( 0.000 2.527 0.000) 2.527 8.647 ( 0.000 -18.010 0.000) 18.010 8.983 ( 0.000 3.813 0.000) 3.813 9.144 ( 0.000 -12.380 0.000) 12.380 9.363 ( 0.000 13.866 0.000) 13.866 9.416 ( 0.000 5.050 0.000) 5.050 9.471 ( 0.000 -2.290 0.000) 2.290 9.563 ( 0.000 -8.890 0.000) 8.890 9.697 ( 0.000 1.936 0.000) 1.936 9.813 ( 0.000 16.483 0.000) 16.483 10.067 ( 0.000 -14.884 0.000) 14.884 10.068 ( 0.000 1.662 0.000) 1.662 10.182 ( 0.000 -5.762 0.000) 5.762 10.306 ( 0.000 -1.687 0.000) 1.687 10.780 ( 0.000 3.668 0.000) 3.668 10.819 ( 0.000 -6.380 0.000) 6.380 10.855 ( 0.000 21.056 0.000) 21.056 11.175 ( 0.000 2.610 0.000) 2.610 11.451 ( 0.000 5.800 0.000) 5.800 11.454 ( 0.000 4.127 0.000) 4.127 11.593 ( 0.000 -3.246 0.000) 3.246 11.594 ( 0.000 -8.852 0.000) 8.852 12.317 ( 0.000 18.012 0.000) 18.012 12.330 ( 0.000 6.037 0.000) 6.037 12.635 ( 0.000 7.050 0.000) 7.050 12.664 ( 0.000 0.467 0.000) 0.467 12.758 ( 0.000 5.835 0.000) 5.835 12.817 ( 0.000 8.580 0.000) 8.580 13.079 ( 0.000 -14.581 0.000) 14.581 13.107 ( 0.000 3.323 0.000) 3.323 13.558 ( 0.000 11.111 0.000) 11.111 13.753 ( 0.000 -1.996 0.000) 1.996 13.760 ( 0.000 -0.809 0.000) 0.809 14.042 ( 0.000 -11.163 0.000) 11.163 15.012 ( 0.000 -2.054 0.000) 2.054 15.071 ( 0.000 -4.126 0.000) 4.126 15.255 ( 0.000 8.586 0.000) 8.586 15.745 ( 0.000 -13.689 0.000) 13.689 16.540 ( 0.000 14.889 0.000) 14.889 16.563 ( 0.000 11.200 0.000) 11.200 16.704 ( 0.000 4.545 0.000) 4.545 16.725 ( 0.000 2.427 0.000) 2.427 17.058 ( 0.000 -0.529 0.000) 0.529 17.262 ( 0.000 -4.010 0.000) 4.010 17.436 ( 0.000 3.868 0.000) 3.868 17.860 ( 0.000 -18.020 0.000) 18.020 19.196 ( 0.000 13.421 0.000) 13.421 19.236 ( 0.000 12.084 0.000) 12.084 19.707 ( 0.000 -11.805 0.000) 11.805 19.714 ( 0.000 -13.622 0.000) 13.622 22.313 ( 0.000 -1.586 0.000) 1.586 22.425 ( 0.000 -6.972 0.000) 6.972 22.787 ( 0.000 -5.530 0.000) 5.530 22.911 ( 0.000 -10.338 0.000) 10.338 24.257 ( 0.000 -0.902 0.000) 0.902 24.289 ( 0.000 -2.796 0.000) 2.796 24.453 ( 0.000 -0.684 0.000) 0.684 24.456 ( 0.000 -0.376 0.000) 0.376 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -0.881 3.650 0.000) 3.755 2.936 ( -3.499 10.261 0.000) 10.841 2.963 ( 5.699 -6.432 0.000) 8.594 3.047 ( 0.575 8.989 0.000) 9.007 3.047 ( 0.053 4.292 0.000) 4.292 3.138 ( -1.561 4.697 0.000) 4.949 3.258 ( 1.537 2.622 0.000) 3.039 3.268 ( 1.735 0.228 0.000) 1.750 3.290 ( 0.041 4.079 0.000) 4.079 3.455 ( -2.616 0.506 0.000) 2.664 3.464 ( -2.898 -3.345 0.000) 4.426 3.502 ( -2.220 1.573 0.000) 2.721 3.578 ( 6.010 1.260 0.000) 6.141 3.646 ( 5.575 -1.545 0.000) 5.785 3.772 ( 1.006 4.535 0.000) 4.645 3.903 ( -1.222 -2.869 0.000) 3.119 4.223 ( -1.126 6.188 0.000) 6.290 4.323 ( -2.205 2.338 0.000) 3.213 4.411 ( -8.126 10.198 0.000) 13.039 4.566 ( -9.158 2.332 0.000) 9.450 4.963 ( 7.008 7.870 0.000) 10.538 5.083 ( 7.696 2.333 0.000) 8.042 5.176 ( 0.772 4.686 0.000) 4.749 5.232 ( 1.332 2.346 0.000) 2.697 5.973 ( -1.208 8.343 0.000) 8.430 5.991 ( -2.325 1.972 0.000) 3.049 6.142 ( -1.092 -4.258 0.000) 4.396 6.245 ( -2.819 -3.444 0.000) 4.451 7.098 ( 3.536 6.151 0.000) 7.095 7.114 ( -0.436 9.520 0.000) 9.530 7.160 ( -6.547 6.010 0.000) 8.887 7.253 ( -0.317 0.760 0.000) 0.823 7.391 ( 11.447 -0.721 0.000) 11.470 7.658 ( 3.065 13.755 0.000) 14.092 7.757 ( -1.117 -5.392 0.000) 5.507 7.881 ( 6.892 9.804 0.000) 11.984 8.033 ( -7.537 13.706 0.000) 15.641 8.233 ( -3.474 -2.419 0.000) 4.233 8.633 ( -2.042 -18.746 0.000) 18.857 8.671 ( 12.659 -6.023 0.000) 14.019 8.975 ( 0.747 6.202 0.000) 6.247 9.170 ( 2.676 -6.532 0.000) 7.059 9.288 ( -4.364 11.461 0.000) 12.264 9.481 ( -2.823 -8.843 0.000) 9.282 9.531 ( 11.290 7.104 0.000) 13.339 9.629 ( 7.513 0.738 0.000) 7.549 9.846 ( 3.684 11.540 0.000) 12.114 9.872 ( 16.640 -0.259 0.000) 16.642 9.992 ( -2.754 0.493 0.000) 2.798 10.135 ( 3.181 -11.850 0.000) 12.269 10.153 ( -2.958 -4.809 0.000) 5.646 10.261 ( -4.128 0.868 0.000) 4.218 10.636 ( -11.348 -0.793 0.000) 11.376 10.683 ( -12.442 -5.708 0.000) 13.689 10.774 ( -8.777 21.268 0.000) 23.008 11.229 ( 4.148 4.330 0.000) 5.996 11.404 ( -10.867 -2.713 0.000) 11.200 11.427 ( -8.482 2.646 0.000) 8.885 11.516 ( 4.847 4.295 0.000) 6.476 11.630 ( 1.239 -6.445 0.000) 6.563 12.288 ( -2.021 5.271 0.000) 5.645 12.318 ( 0.144 15.819 0.000) 15.820 12.600 ( -5.305 -6.140 0.000) 8.115 12.650 ( -1.710 2.803 0.000) 3.283 12.728 ( 0.664 20.212 0.000) 20.223 12.853 ( 2.708 5.362 0.000) 6.007 12.972 ( -7.626 -6.195 0.000) 9.825 13.119 ( -0.470 3.048 0.000) 3.084 13.638 ( 6.146 5.927 0.000) 8.538 13.754 ( 1.940 -0.103 0.000) 1.942 13.854 ( 6.127 -4.001 0.000) 7.318 14.048 ( 0.271 -10.786 0.000) 10.790 15.037 ( 2.379 -0.572 0.000) 2.447 15.156 ( 8.045 -5.542 0.000) 9.770 15.234 ( -2.045 8.007 0.000) 8.264 15.697 ( -4.802 -13.049 0.000) 13.905 16.545 ( 0.371 13.967 0.000) 13.972 16.559 ( -0.366 11.284 0.000) 11.290 16.708 ( 0.386 4.355 0.000) 4.372 16.722 ( -0.198 2.967 0.000) 2.973 17.109 ( 5.197 -1.218 0.000) 5.338 17.281 ( 1.824 -3.496 0.000) 3.943 17.419 ( -1.677 2.924 0.000) 3.371 17.757 ( -9.699 -15.031 0.000) 17.888 19.199 ( 0.319 13.376 0.000) 13.380 19.231 ( -0.444 12.367 0.000) 12.375 19.718 ( 0.858 -12.626 0.000) 12.656 19.718 ( 0.442 -13.721 0.000) 13.728 22.352 ( 3.917 -1.834 0.000) 4.325 22.472 ( 4.490 -7.406 0.000) 8.661 22.735 ( -4.986 -5.015 0.000) 7.072 22.861 ( -4.786 -10.036 0.000) 11.118 24.268 ( 1.529 -0.121 0.000) 1.534 24.333 ( 3.560 -3.668 0.000) 5.111 24.420 ( -2.109 0.584 0.000) 2.189 24.471 ( 0.203 -2.185 0.000) 2.194 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 3.591 9.130 0.000) 9.811 2.845 ( -5.233 11.315 0.000) 12.467 3.029 ( 1.137 4.609 0.000) 4.747 3.043 ( -0.473 5.641 0.000) 5.661 3.077 ( 1.989 0.635 0.000) 2.088 3.108 ( -1.377 2.421 0.000) 2.785 3.298 ( 2.011 4.745 0.000) 5.153 3.304 ( 1.491 0.627 0.000) 1.617 3.325 ( 3.167 -2.608 0.000) 4.102 3.389 ( -3.520 -0.517 0.000) 3.558 3.416 ( -1.269 -2.262 0.000) 2.594 3.444 ( -3.233 -0.583 0.000) 3.285 3.708 ( 6.363 1.945 0.000) 6.653 3.766 ( 5.576 -2.793 0.000) 6.236 3.784 ( -0.706 2.627 0.000) 2.720 3.855 ( -3.674 -2.072 0.000) 4.218 4.224 ( 2.122 6.321 0.000) 6.668 4.283 ( -0.937 3.815 0.000) 3.928 4.286 ( -3.920 7.054 0.000) 8.070 4.363 ( -9.318 3.171 0.000) 9.843 5.101 ( 5.626 8.498 0.000) 10.191 5.172 ( -1.647 6.493 0.000) 6.699 5.212 ( 4.729 3.028 0.000) 5.616 5.254 ( 0.214 2.584 0.000) 2.593 5.947 ( -1.011 6.088 0.000) 6.171 5.949 ( -1.372 3.209 0.000) 3.490 6.134 ( 0.841 -4.539 0.000) 4.616 6.178 ( -3.341 -3.732 0.000) 5.008 7.033 ( -1.977 8.403 0.000) 8.633 7.048 ( -3.609 7.088 0.000) 7.954 7.242 ( 3.406 -1.479 0.000) 3.713 7.256 ( 0.424 -3.866 0.000) 3.889 7.604 ( 10.843 3.449 0.000) 11.378 7.737 ( 2.470 13.987 0.000) 14.204 7.860 ( 5.427 5.356 0.000) 7.625 7.880 ( -5.680 10.206 0.000) 11.680 7.935 ( 2.702 8.460 0.000) 8.881 8.143 ( -8.116 -0.036 0.000) 8.116 8.612 ( 2.621 -17.620 0.000) 17.814 8.718 ( -5.281 -15.126 0.000) 16.022 9.096 ( 8.063 11.895 0.000) 14.370 9.211 ( -4.102 11.839 0.000) 12.529 9.253 ( 5.830 -5.776 0.000) 8.207 9.383 ( -6.362 -8.173 0.000) 10.357 9.803 ( 8.338 0.279 0.000) 8.343 9.805 ( 11.614 9.091 0.000) 14.750 9.923 ( 3.764 4.075 0.000) 5.548 10.046 ( -6.608 -3.064 0.000) 7.284 10.059 ( 10.745 3.984 0.000) 11.460 10.155 ( 1.867 5.702 0.000) 6.000 10.195 ( 2.143 -10.548 0.000) 10.764 10.296 ( 11.255 -2.872 0.000) 11.616 10.347 ( -16.177 1.506 0.000) 16.247 10.505 ( -16.312 16.441 0.000) 23.160 10.537 ( 6.833 -8.226 0.000) 10.693 10.977 ( -26.178 -3.386 0.000) 26.396 11.301 ( 2.916 5.039 0.000) 5.822 11.353 ( -2.767 4.349 0.000) 5.154 11.599 ( 3.155 1.319 0.000) 3.419 11.638 ( -0.743 -2.941 0.000) 3.034 12.301 ( 2.523 4.043 0.000) 4.765 12.324 ( 0.246 9.416 0.000) 9.419 12.511 ( -1.440 -0.746 0.000) 1.622 12.574 ( -5.775 2.264 0.000) 6.203 12.760 ( 1.802 15.273 0.000) 15.379 12.808 ( -3.814 4.780 0.000) 6.115 12.972 ( 5.002 5.443 0.000) 7.392 13.069 ( -4.187 4.296 0.000) 5.999 13.745 ( 3.952 1.765 0.000) 4.328 13.783 ( 0.133 0.310 0.000) 0.337 13.971 ( 5.035 -7.097 0.000) 8.701 14.038 ( -1.672 -9.509 0.000) 9.655 15.100 ( 3.813 2.856 0.000) 4.764 15.177 ( -3.593 6.109 0.000) 7.088 15.354 ( 10.939 -8.459 0.000) 13.828 15.558 ( -9.018 -11.206 0.000) 14.384 16.550 ( 0.134 12.357 0.000) 12.357 16.553 ( -0.211 11.543 0.000) 11.545 16.716 ( 0.293 4.028 0.000) 4.039 16.719 ( -0.112 3.696 0.000) 3.697 17.260 ( 9.292 -3.066 0.000) 9.785 17.334 ( 3.969 -2.552 0.000) 4.719 17.372 ( -3.010 0.595 0.000) 3.069 17.520 ( -12.824 -8.853 0.000) 15.583 19.208 ( 0.551 13.209 0.000) 13.221 19.220 ( -0.616 12.859 0.000) 12.874 19.728 ( 0.431 -13.885 0.000) 13.892 19.731 ( 0.261 -13.663 0.000) 13.665 22.462 ( 6.806 -2.635 0.000) 7.299 22.590 ( 7.081 -8.345 0.000) 10.945 22.607 ( -7.403 -3.840 0.000) 8.340 22.737 ( -7.260 -9.300 0.000) 11.798 24.314 ( 2.839 0.677 0.000) 2.918 24.371 ( -2.739 0.956 0.000) 2.901 24.406 ( 3.437 -4.291 0.000) 5.498 24.458 ( -1.642 -3.707 0.000) 4.054 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 0.000 -3.082 0.000) 3.082 2.776 ( 0.000 3.082 0.000) 3.082 3.072 ( 0.000 -1.249 0.000) 1.249 3.072 ( 0.000 1.249 0.000) 1.249 3.211 ( 0.000 -5.744 0.000) 5.744 3.211 ( 0.000 5.744 0.000) 5.744 3.235 ( 0.000 -1.933 0.000) 1.933 3.235 ( 0.000 1.933 0.000) 1.933 3.395 ( 0.000 -4.822 0.000) 4.822 3.395 ( 0.000 4.822 0.000) 4.822 3.520 ( 0.000 -2.360 0.000) 2.360 3.520 ( 0.000 2.360 0.000) 2.360 3.556 ( 0.000 -1.917 0.000) 1.917 3.556 ( 0.000 1.917 0.000) 1.917 3.844 ( 0.000 -3.392 0.000) 3.392 3.844 ( 0.000 3.393 0.000) 3.393 4.333 ( 0.000 -3.122 0.000) 3.122 4.333 ( 0.000 3.122 0.000) 3.122 4.687 ( 0.000 -2.036 0.000) 2.036 4.687 ( 0.000 2.036 0.000) 2.036 4.954 ( 0.000 -0.678 0.000) 0.678 4.954 ( 0.000 0.679 0.000) 0.679 5.223 ( 0.000 -1.433 0.000) 1.433 5.223 ( 0.000 1.433 0.000) 1.433 6.076 ( 0.000 -3.753 0.000) 3.753 6.076 ( 0.000 3.753 0.000) 3.753 6.161 ( 0.000 -7.657 0.000) 7.657 6.161 ( 0.000 7.657 0.000) 7.657 7.143 ( 0.000 -5.474 0.000) 5.474 7.143 ( 0.000 5.474 0.000) 5.474 7.302 ( 0.000 -1.111 0.000) 1.111 7.302 ( 0.000 1.111 0.000) 1.111 7.540 ( 0.000 -18.160 0.000) 18.160 7.540 ( 0.000 18.160 0.000) 18.160 7.857 ( 0.000 -3.140 0.000) 3.140 7.857 ( 0.000 3.140 0.000) 3.140 8.289 ( 0.000 -10.632 0.000) 10.632 8.289 ( 0.000 10.632 0.000) 10.632 8.362 ( 0.000 -8.450 0.000) 8.450 8.362 ( 0.000 8.451 0.000) 8.451 8.996 ( 0.000 -0.185 0.000) 0.185 8.996 ( 0.000 0.186 0.000) 0.186 9.424 ( 0.000 -1.189 0.000) 1.189 9.424 ( 0.000 1.189 0.000) 1.189 9.633 ( 0.000 -9.442 0.000) 9.442 9.633 ( 0.000 9.442 0.000) 9.442 9.754 ( 0.000 -16.124 0.000) 16.124 9.754 ( 0.000 16.124 0.000) 16.124 10.037 ( 0.000 -5.799 0.000) 5.799 10.037 ( 0.000 5.800 0.000) 5.800 10.190 ( 0.000 -6.645 0.000) 6.645 10.190 ( 0.000 6.645 0.000) 6.645 10.787 ( 0.000 -1.356 0.000) 1.356 10.787 ( 0.000 1.356 0.000) 1.356 11.276 ( 0.000 -19.438 0.000) 19.438 11.276 ( 0.000 19.439 0.000) 19.439 11.350 ( 0.000 -11.551 0.000) 11.551 11.350 ( 0.000 11.551 0.000) 11.551 11.531 ( 0.000 -2.455 0.000) 2.455 11.531 ( 0.000 2.455 0.000) 2.455 12.499 ( 0.000 -9.734 0.000) 9.734 12.499 ( 0.000 9.735 0.000) 9.735 12.610 ( 0.000 -9.794 0.000) 9.794 12.610 ( 0.000 9.794 0.000) 9.794 12.900 ( 0.000 -2.529 0.000) 2.529 12.900 ( 0.000 2.530 0.000) 2.530 13.027 ( 0.000 -10.472 0.000) 10.472 13.027 ( 0.000 10.472 0.000) 10.472 13.748 ( 0.000 -0.610 0.000) 0.610 13.748 ( 0.000 0.610 0.000) 0.610 13.796 ( 0.000 -12.745 0.000) 12.745 13.796 ( 0.000 12.745 0.000) 12.745 15.010 ( 0.000 -1.765 0.000) 1.765 15.010 ( 0.000 1.765 0.000) 1.765 15.478 ( 0.000 -12.825 0.000) 12.825 15.478 ( 0.000 12.825 0.000) 12.825 16.722 ( 0.000 -3.679 0.000) 3.679 16.722 ( 0.000 3.679 0.000) 3.679 16.726 ( 0.000 -3.525 0.000) 3.525 16.726 ( 0.000 3.525 0.000) 3.525 17.138 ( 0.000 -7.098 0.000) 7.098 17.138 ( 0.000 7.098 0.000) 7.098 17.571 ( 0.000 -10.501 0.000) 10.501 17.571 ( 0.000 10.501 0.000) 10.501 19.455 ( 0.000 -12.628 0.000) 12.628 19.455 ( 0.000 12.628 0.000) 12.628 19.472 ( 0.000 -11.691 0.000) 11.691 19.472 ( 0.000 11.691 0.000) 11.691 22.325 ( 0.000 -2.858 0.000) 2.858 22.325 ( 0.000 2.858 0.000) 2.858 22.763 ( 0.000 -3.432 0.000) 3.432 22.763 ( 0.000 3.432 0.000) 3.432 24.254 ( 0.000 -0.732 0.000) 0.732 24.254 ( 0.000 0.732 0.000) 0.732 24.448 ( 0.000 -0.186 0.000) 0.186 24.448 ( 0.000 0.187 0.000) 0.187 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 4.286 -6.322 0.000) 7.638 2.822 ( 4.286 6.322 0.000) 7.638 3.061 ( -1.190 -2.718 0.000) 2.967 3.061 ( -1.190 2.718 0.000) 2.967 3.212 ( 0.134 -6.201 0.000) 6.203 3.212 ( 0.134 6.201 0.000) 6.203 3.234 ( -0.134 -3.806 0.000) 3.809 3.234 ( -0.134 3.807 0.000) 3.809 3.378 ( -1.071 -4.269 0.000) 4.401 3.378 ( -1.071 4.269 0.000) 4.402 3.485 ( -3.270 -2.302 0.000) 3.999 3.485 ( -3.270 2.302 0.000) 3.999 3.615 ( 5.269 -1.765 0.000) 5.556 3.615 ( 5.269 1.765 0.000) 5.556 3.843 ( -0.195 -2.955 0.000) 2.961 3.843 ( -0.195 2.955 0.000) 2.962 4.317 ( -1.241 -2.779 0.000) 3.044 4.317 ( -1.241 2.779 0.000) 3.044 4.551 ( -9.737 -3.857 0.000) 10.473 4.551 ( -9.737 3.857 0.000) 10.473 5.079 ( 8.507 -3.099 0.000) 9.054 5.079 ( 8.507 3.099 0.000) 9.054 5.239 ( 1.364 -1.510 0.000) 2.035 5.239 ( 1.364 1.510 0.000) 2.035 6.051 ( -1.848 -4.063 0.000) 4.463 6.051 ( -1.848 4.063 0.000) 4.464 6.136 ( -2.376 -7.241 0.000) 7.621 6.136 ( -2.376 7.241 0.000) 7.621 7.197 ( 2.320 -2.939 0.000) 3.745 7.197 ( 2.320 2.939 0.000) 3.745 7.243 ( -4.609 -2.146 0.000) 5.084 7.243 ( -4.609 2.146 0.000) 5.084 7.539 ( 3.607 -14.182 0.000) 14.633 7.539 ( 3.607 14.182 0.000) 14.633 7.950 ( 7.744 -8.924 0.000) 11.816 7.950 ( 7.744 8.924 0.000) 11.816 8.252 ( -4.285 -11.394 0.000) 12.173 8.252 ( -4.285 11.394 0.000) 12.173 8.353 ( -1.556 -18.198 0.000) 18.265 8.353 ( -1.556 18.198 0.000) 18.265 9.087 ( 7.569 -4.339 0.000) 8.725 9.087 ( 7.569 4.340 0.000) 8.725 9.390 ( -2.769 -2.322 0.000) 3.614 9.390 ( -2.769 2.323 0.000) 3.614 9.759 ( 12.197 -10.703 0.000) 16.228 9.759 ( 12.197 10.703 0.000) 16.228 9.804 ( 4.441 -13.331 0.000) 14.051 9.804 ( 4.441 13.331 0.000) 14.051 10.021 ( -0.638 -4.700 0.000) 4.743 10.021 ( -0.638 4.700 0.000) 4.743 10.180 ( -0.261 -6.679 0.000) 6.684 10.180 ( -0.261 6.679 0.000) 6.684 10.627 ( -13.761 -2.313 0.000) 13.954 10.627 ( -13.761 2.313 0.000) 13.954 11.192 ( -10.771 -18.010 0.000) 20.985 11.192 ( -10.771 18.010 0.000) 20.985 11.409 ( 4.227 -11.095 0.000) 11.873 11.409 ( 4.227 11.095 0.000) 11.873 11.494 ( -1.893 -4.346 0.000) 4.740 11.494 ( -1.893 4.346 0.000) 4.741 12.437 ( -3.998 -8.858 0.000) 9.718 12.437 ( -3.998 8.858 0.000) 9.719 12.577 ( -3.480 -10.147 0.000) 10.727 12.577 ( -3.480 10.147 0.000) 10.727 12.915 ( 1.864 -3.422 0.000) 3.897 12.915 ( 1.864 3.423 0.000) 3.897 13.046 ( 0.885 -10.428 0.000) 10.465 13.046 ( 0.885 10.428 0.000) 10.465 13.785 ( 3.109 -2.883 0.000) 4.241 13.785 ( 3.109 2.884 0.000) 4.241 13.818 ( 1.824 -11.260 0.000) 11.407 13.818 ( 1.824 11.260 0.000) 11.407 15.066 ( 5.300 -3.326 0.000) 6.258 15.066 ( 5.300 3.327 0.000) 6.258 15.443 ( -3.442 -12.108 0.000) 12.588 15.443 ( -3.442 12.109 0.000) 12.589 16.721 ( -0.071 -3.952 0.000) 3.953 16.721 ( -0.071 3.952 0.000) 3.953 16.725 ( -0.149 -3.817 0.000) 3.820 16.725 ( -0.149 3.817 0.000) 3.820 17.172 ( 3.424 -6.142 0.000) 7.032 17.172 ( 3.424 6.142 0.000) 7.032 17.522 ( -4.718 -8.231 0.000) 9.487 17.522 ( -4.718 8.231 0.000) 9.487 19.458 ( 0.288 -12.671 0.000) 12.674 19.458 ( 0.288 12.671 0.000) 12.674 19.473 ( 0.012 -12.001 0.000) 12.001 19.473 ( 0.012 12.001 0.000) 12.001 22.364 ( 3.827 -3.081 0.000) 4.913 22.364 ( 3.827 3.081 0.000) 4.913 22.716 ( -4.451 -3.461 0.000) 5.638 22.716 ( -4.451 3.461 0.000) 5.639 24.281 ( 2.507 -1.539 0.000) 2.942 24.281 ( 2.507 1.539 0.000) 2.942 24.436 ( -1.191 -1.257 0.000) 1.731 24.436 ( -1.191 1.257 0.000) 1.731 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 5.580 -8.079 0.000) 9.818 2.926 ( 5.580 8.079 0.000) 9.818 3.018 ( -3.353 -5.701 0.000) 6.614 3.018 ( -3.353 5.701 0.000) 6.614 3.218 ( 0.472 -7.293 0.000) 7.309 3.218 ( 0.472 7.293 0.000) 7.309 3.228 ( -0.476 -6.775 0.000) 6.791 3.228 ( -0.476 6.775 0.000) 6.791 3.371 ( 0.664 -2.689 0.000) 2.770 3.371 ( 0.664 2.689 0.000) 2.770 3.412 ( -3.406 -2.099 0.000) 4.001 3.412 ( -3.406 2.099 0.000) 4.001 3.734 ( 5.930 -0.951 0.000) 6.006 3.734 ( 5.930 0.952 0.000) 6.006 3.821 ( -2.512 -1.506 0.000) 2.929 3.821 ( -2.512 1.507 0.000) 2.929 4.306 ( 0.839 -1.591 0.000) 1.799 4.306 ( 0.839 1.591 0.000) 1.799 4.378 ( -6.659 -1.950 0.000) 6.939 4.378 ( -6.659 1.950 0.000) 6.939 5.217 ( 4.705 -2.796 0.000) 5.473 5.217 ( 4.705 2.796 0.000) 5.473 5.259 ( 0.038 -2.105 0.000) 2.105 5.259 ( 0.038 2.105 0.000) 2.105 6.034 ( 0.653 -4.977 0.000) 5.019 6.034 ( 0.653 4.977 0.000) 5.019 6.077 ( -3.158 -6.221 0.000) 6.976 6.077 ( -3.158 6.221 0.000) 6.977 7.170 ( -1.893 -4.988 0.000) 5.336 7.170 ( -1.893 4.988 0.000) 5.336 7.177 ( -2.188 -5.287 0.000) 5.722 7.177 ( -2.188 5.287 0.000) 5.722 7.753 ( 15.400 -9.406 0.000) 18.046 7.753 ( 15.400 9.406 0.000) 18.046 8.029 ( -7.995 -6.409 0.000) 10.247 8.029 ( -7.995 6.409 0.000) 10.247 8.171 ( 3.472 -18.650 0.000) 18.970 8.171 ( 3.472 18.650 0.000) 18.971 8.286 ( -5.170 -21.756 0.000) 22.362 8.286 ( -5.170 21.756 0.000) 22.362 9.232 ( 6.279 -1.637 0.000) 6.489 9.232 ( 6.279 1.637 0.000) 6.489 9.329 ( -3.624 -1.959 0.000) 4.120 9.329 ( -3.624 1.960 0.000) 4.120 9.902 ( 4.788 -8.309 0.000) 9.590 9.902 ( 4.788 8.309 0.000) 9.590 9.957 ( 1.707 -5.449 0.000) 5.711 9.957 ( 1.707 5.450 0.000) 5.711 10.072 ( 6.944 -1.758 0.000) 7.163 10.072 ( 6.944 1.758 0.000) 7.163 10.256 ( -1.569 -3.030 0.000) 3.412 10.256 ( -1.569 3.030 0.000) 3.412 10.393 ( 6.032 -5.332 0.000) 8.051 10.393 ( 6.032 5.333 0.000) 8.051 10.826 ( -24.086 -12.435 0.000) 27.107 10.826 ( -24.086 12.435 0.000) 27.107 11.473 ( 1.868 -10.581 0.000) 10.745 11.473 ( 1.868 10.581 0.000) 10.745 11.486 ( 0.207 -9.062 0.000) 9.065 11.486 ( 0.207 9.062 0.000) 9.065 12.408 ( 1.572 -6.595 0.000) 6.780 12.408 ( 1.572 6.596 0.000) 6.780 12.483 ( -5.146 -7.621 0.000) 9.195 12.483 ( -5.146 7.621 0.000) 9.195 12.974 ( 3.619 -6.351 0.000) 7.310 12.974 ( 3.619 6.352 0.000) 7.310 13.035 ( -2.077 -8.771 0.000) 9.014 13.035 ( -2.077 8.772 0.000) 9.014 13.840 ( 1.833 -5.287 0.000) 5.595 13.840 ( 1.833 5.287 0.000) 5.595 13.849 ( 0.854 -8.284 0.000) 8.328 13.849 ( 0.854 8.284 0.000) 8.328 15.200 ( 7.597 -6.736 0.000) 10.153 15.200 ( 7.598 6.736 0.000) 10.154 15.344 ( -6.430 -9.992 0.000) 11.882 15.344 ( -6.430 9.992 0.000) 11.882 16.720 ( -0.009 -4.344 0.000) 4.344 16.720 ( -0.009 4.344 0.000) 4.344 16.722 ( -0.133 -4.286 0.000) 4.288 16.722 ( -0.133 4.287 0.000) 4.289 17.269 ( 6.095 -3.178 0.000) 6.874 17.269 ( 6.095 3.178 0.000) 6.874 17.402 ( -6.880 -3.265 0.000) 7.615 17.402 ( -6.880 3.265 0.000) 7.615 19.465 ( 0.377 -12.705 0.000) 12.710 19.465 ( 0.377 12.705 0.000) 12.710 19.471 ( -0.201 -12.500 0.000) 12.502 19.471 ( -0.201 12.500 0.000) 12.502 22.468 ( 6.347 -3.401 0.000) 7.200 22.468 ( 6.347 3.401 0.000) 7.200 22.601 ( -6.707 -3.502 0.000) 7.567 22.601 ( -6.707 3.502 0.000) 7.567 24.341 ( 3.245 -2.216 0.000) 3.930 24.341 ( 3.245 2.216 0.000) 3.930 24.400 ( -2.458 -2.095 0.000) 3.230 24.400 ( -2.458 2.095 0.000) 3.230 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 0.000 26.897) 26.897 0.666 ( 0.000 0.000 35.620) 35.620 1.031 ( 0.000 0.000 54.989) 54.989 1.904 ( 0.000 0.000 -22.755) 22.755 2.186 ( 0.000 0.000 -18.685) 18.685 2.341 ( 0.000 0.000 10.739) 10.739 2.377 ( 0.000 0.000 6.211) 6.211 2.585 ( 0.000 0.000 0.542) 0.542 2.730 ( 0.000 0.000 7.115) 7.115 2.740 ( 0.000 0.000 11.583) 11.583 2.871 ( 0.000 0.000 -4.507) 4.507 3.008 ( 0.000 0.000 -3.941) 3.941 3.065 ( 0.000 0.000 -2.102) 2.102 3.100 ( 0.000 0.000 3.323) 3.323 3.202 ( 0.000 0.000 -13.734) 13.734 3.218 ( 0.000 0.000 -0.835) 0.835 3.270 ( 0.000 0.000 3.068) 3.068 3.623 ( 0.000 0.000 0.419) 0.419 3.677 ( 0.000 0.000 4.620) 4.620 4.059 ( 0.000 0.000 -5.689) 5.689 4.165 ( 0.000 0.000 3.396) 3.396 4.660 ( 0.000 0.000 -7.581) 7.581 4.733 ( 0.000 0.000 1.666) 1.666 4.954 ( 0.000 0.000 -0.086) 0.086 4.955 ( 0.000 0.000 -0.165) 0.165 5.117 ( 0.000 0.000 -4.980) 4.980 5.187 ( 0.000 0.000 1.491) 1.491 5.291 ( 0.000 0.000 -1.171) 1.171 5.735 ( 0.000 0.000 1.245) 1.245 5.994 ( 0.000 0.000 -2.940) 2.940 6.605 ( 0.000 0.000 0.416) 0.416 6.678 ( 0.000 0.000 2.682) 2.682 7.022 ( 0.000 0.000 0.687) 0.687 7.125 ( 0.000 0.000 -1.335) 1.335 7.321 ( 0.000 0.000 1.884) 1.884 7.350 ( 0.000 0.000 -1.414) 1.414 7.688 ( 0.000 0.000 -1.992) 1.992 7.901 ( 0.000 0.000 8.691) 8.691 7.948 ( 0.000 0.000 1.330) 1.330 8.081 ( 0.000 0.000 -2.060) 2.060 8.103 ( 0.000 0.000 -16.619) 16.619 8.412 ( 0.000 0.000 -1.902) 1.902 8.451 ( 0.000 0.000 3.854) 3.854 8.576 ( 0.000 0.000 3.869) 3.869 8.706 ( 0.000 0.000 -6.967) 6.967 8.758 ( 0.000 0.000 2.506) 2.506 8.851 ( 0.000 0.000 -2.041) 2.041 9.074 ( 0.000 0.000 -5.458) 5.458 9.512 ( 0.000 0.000 18.763) 18.763 9.615 ( 0.000 0.000 5.682) 5.682 9.914 ( 0.000 0.000 -2.706) 2.706 10.203 ( 0.000 0.000 -4.707) 4.707 10.269 ( 0.000 0.000 2.894) 2.894 10.513 ( 0.000 0.000 9.176) 9.176 10.517 ( 0.000 0.000 -4.873) 4.873 11.030 ( 0.000 0.000 10.273) 10.273 11.164 ( 0.000 0.000 4.771) 4.771 11.514 ( 0.000 0.000 -19.526) 19.526 11.681 ( 0.000 0.000 -1.720) 1.720 11.783 ( 0.000 0.000 -1.911) 1.911 11.818 ( 0.000 0.000 -14.681) 14.681 12.010 ( 0.000 0.000 -9.381) 9.381 12.292 ( 0.000 0.000 2.579) 2.579 12.310 ( 0.000 0.000 3.504) 3.504 12.493 ( 0.000 0.000 11.336) 11.336 13.363 ( 0.000 0.000 18.881) 18.881 13.473 ( 0.000 0.000 17.130) 17.130 13.571 ( 0.000 0.000 -13.953) 13.953 13.606 ( 0.000 0.000 1.748) 1.748 13.955 ( 0.000 0.000 -21.086) 21.086 14.338 ( 0.000 0.000 -9.150) 9.150 14.376 ( 0.000 0.000 -8.515) 8.515 14.837 ( 0.000 0.000 9.826) 9.826 14.983 ( 0.000 0.000 -4.902) 4.902 15.234 ( 0.000 0.000 7.155) 7.155 15.473 ( 0.000 0.000 1.150) 1.150 15.616 ( 0.000 0.000 -1.433) 1.433 15.799 ( 0.000 0.000 -1.607) 1.607 15.995 ( 0.000 0.000 17.213) 17.213 16.797 ( 0.000 0.000 -6.655) 6.655 17.877 ( 0.000 0.000 15.353) 15.353 19.057 ( 0.000 0.000 -14.621) 14.621 19.662 ( 0.000 0.000 1.374) 1.374 19.668 ( 0.000 0.000 1.347) 1.347 19.766 ( 0.000 0.000 -1.257) 1.257 19.770 ( 0.000 0.000 -1.234) 1.234 20.238 ( 0.000 0.000 5.456) 5.456 20.650 ( 0.000 0.000 -5.388) 5.388 21.338 ( 0.000 0.000 2.559) 2.559 21.606 ( 0.000 0.000 -5.640) 5.640 21.882 ( 0.000 0.000 4.491) 4.491 22.035 ( 0.000 0.000 -0.705) 0.705 24.071 ( 0.000 0.000 5.460) 5.460 24.688 ( 0.000 0.000 -15.039) 15.039 25.307 ( 0.000 0.000 15.569) 15.569 25.976 ( 0.000 0.000 -6.180) 6.180 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 21.440 0.000 18.739) 28.474 0.875 ( 18.291 0.000 26.245) 31.990 1.360 ( 31.402 0.000 38.991) 50.064 1.962 ( 2.121 0.000 -19.752) 19.865 2.082 ( -12.388 0.000 -2.616) 12.661 2.191 ( -9.578 0.000 8.714) 12.949 2.359 ( 1.707 0.000 -8.015) 8.195 2.560 ( -1.713 0.000 -0.313) 1.742 2.707 ( -4.195 0.000 11.245) 12.002 2.743 ( -2.297 0.000 -2.107) 3.117 2.824 ( -1.181 0.000 2.537) 2.798 2.900 ( -9.079 0.000 -1.109) 9.146 3.007 ( -3.193 0.000 2.930) 4.334 3.177 ( 4.319 0.000 -0.205) 4.324 3.205 ( 8.497 0.000 -7.276) 11.187 3.240 ( 1.749 0.000 -0.912) 1.972 3.475 ( 8.728 0.000 -6.577) 10.929 3.608 ( -5.723 0.000 5.472) 7.918 3.754 ( 8.457 0.000 -2.086) 8.710 4.034 ( -13.513 0.000 -0.395) 13.518 4.116 ( 3.496 0.000 -1.993) 4.024 4.374 ( -10.256 0.000 4.458) 11.183 4.878 ( 3.271 0.000 -5.896) 6.742 4.975 ( 2.260 0.000 0.126) 2.263 4.993 ( 3.396 0.000 -0.315) 3.410 5.083 ( -3.228 0.000 -3.884) 5.051 5.165 ( -2.111 0.000 1.366) 2.515 5.261 ( -2.904 0.000 -1.087) 3.100 5.849 ( 10.027 0.000 0.292) 10.031 6.079 ( 5.026 0.000 -4.935) 7.044 6.414 ( -10.095 0.000 9.316) 13.736 6.529 ( -6.542 0.000 1.659) 6.749 7.132 ( 8.618 0.000 0.210) 8.621 7.333 ( 2.934 0.000 -0.867) 3.059 7.416 ( 8.312 0.000 -0.671) 8.339 7.614 ( 19.332 0.000 -4.662) 19.886 7.746 ( -1.253 0.000 -0.641) 1.407 7.940 ( -0.263 0.000 2.256) 2.271 7.964 ( 1.542 0.000 1.111) 1.901 8.072 ( -0.943 0.000 -1.588) 1.847 8.157 ( 7.158 0.000 -12.955) 14.801 8.294 ( 2.304 0.000 -7.445) 7.793 8.574 ( 2.687 0.000 -0.320) 2.706 8.627 ( 4.718 0.000 3.611) 5.941 8.667 ( -3.229 0.000 -9.503) 10.037 8.777 ( 1.522 0.000 2.638) 3.046 8.872 ( 2.205 0.000 -2.318) 3.199 9.052 ( -2.071 0.000 -4.843) 5.267 9.476 ( 0.085 0.000 8.935) 8.936 9.580 ( -3.055 0.000 4.723) 5.625 9.786 ( -10.278 0.000 -0.802) 10.310 9.993 ( -19.947 0.000 -0.027) 19.947 10.214 ( -2.800 0.000 0.712) 2.889 10.491 ( -2.497 0.000 -5.783) 6.299 10.633 ( 9.870 0.000 7.284) 12.267 10.997 ( -2.631 0.000 8.953) 9.331 11.124 ( -3.930 0.000 4.726) 6.146 11.546 ( -13.646 0.000 -5.184) 14.597 11.551 ( 3.419 0.000 -18.690) 19.000 11.744 ( 3.750 0.000 3.150) 4.897 11.794 ( -2.370 0.000 -14.955) 15.142 12.094 ( -0.697 0.000 9.582) 9.608 12.209 ( 2.814 0.000 -2.738) 3.926 12.476 ( 7.978 0.000 5.939) 9.945 12.839 ( 21.083 0.000 -13.239) 24.896 13.374 ( 1.072 0.000 18.693) 18.724 13.456 ( -6.290 0.000 -11.210) 12.854 13.463 ( -0.988 0.000 17.279) 17.307 13.674 ( 3.542 0.000 -0.760) 3.622 13.949 ( -3.444 0.000 -12.675) 13.135 14.341 ( 0.360 0.000 -9.088) 9.095 14.372 ( -0.357 0.000 -8.574) 8.581 14.795 ( -5.401 0.000 12.735) 13.833 14.949 ( -0.590 0.000 1.923) 2.012 15.182 ( 2.757 0.000 9.908) 10.284 15.512 ( 3.735 0.000 5.576) 6.711 15.567 ( -2.029 0.000 -2.819) 3.473 15.831 ( 3.284 0.000 -1.603) 3.655 15.952 ( -3.963 0.000 16.211) 16.688 16.655 ( -13.914 0.000 -4.976) 14.777 17.894 ( 1.689 0.000 16.156) 16.244 18.522 ( -34.192 0.000 38.920) 51.806 19.663 ( 0.043 0.000 1.369) 1.370 19.667 ( -0.058 0.000 1.347) 1.348 19.767 ( 0.042 0.000 -1.253) 1.254 19.770 ( -0.023 0.000 -1.234) 1.234 20.118 ( -3.671 0.000 -2.241) 4.301 20.583 ( -7.817 0.000 -4.119) 8.836 20.967 ( -12.121 0.000 24.812) 27.615 21.325 ( -2.762 0.000 2.965) 4.052 21.612 ( -8.080 0.000 -6.811) 10.567 21.805 ( -15.854 0.000 -1.942) 15.972 24.243 ( 14.597 0.000 5.723) 15.679 24.921 ( -1.889 0.000 -11.216) 11.374 25.804 ( 21.182 0.000 -8.915) 22.982 26.147 ( 11.404 0.000 -15.793) 19.480 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 22.873 0.000 14.299) 26.975 1.296 ( 22.726 0.000 15.762) 27.657 1.678 ( -19.024 0.000 10.104) 21.540 1.736 ( -20.849 0.000 8.521) 22.523 2.094 ( 24.130 0.000 2.852) 24.298 2.230 ( 8.309 0.000 -1.711) 8.483 2.455 ( 6.966 0.000 -13.554) 15.239 2.497 ( 1.774 0.000 -1.909) 2.606 2.611 ( -8.287 0.000 -11.525) 14.195 2.655 ( -0.485 0.000 10.109) 10.121 2.802 ( 0.257 0.000 3.449) 3.459 2.868 ( 3.499 0.000 7.706) 8.463 2.940 ( -3.617 0.000 5.646) 6.705 3.195 ( -32.487 0.000 5.535) 32.955 3.245 ( 2.307 0.000 -0.762) 2.430 3.265 ( 0.291 0.000 -0.939) 0.983 3.396 ( 9.446 0.000 -3.879) 10.211 3.549 ( -4.764 0.000 -4.155) 6.322 3.861 ( 3.959 0.000 -9.379) 10.180 3.895 ( 2.088 0.000 1.218) 2.417 4.229 ( 4.267 0.000 -0.645) 4.316 4.278 ( -2.361 0.000 3.968) 4.617 4.904 ( 2.041 0.000 -4.824) 5.238 4.994 ( -5.634 0.000 -2.388) 6.119 5.035 ( 3.599 0.000 0.539) 3.639 5.080 ( 4.907 0.000 -0.595) 4.943 5.109 ( -3.289 0.000 1.035) 3.448 5.182 ( -4.829 0.000 -0.856) 4.904 6.050 ( 8.411 0.000 -1.032) 8.474 6.140 ( -0.057 0.000 -4.192) 4.192 6.308 ( -0.163 0.000 7.314) 7.315 6.393 ( -6.649 0.000 3.597) 7.559 7.292 ( 7.092 0.000 -5.322) 8.867 7.379 ( -0.144 0.000 -3.890) 3.893 7.548 ( 3.255 0.000 2.237) 3.949 7.635 ( -6.763 0.000 0.980) 6.833 7.919 ( 13.743 0.000 1.831) 13.864 8.003 ( 2.207 0.000 0.458) 2.254 8.038 ( 13.247 0.000 6.137) 14.599 8.044 ( -1.811 0.000 -0.552) 1.893 8.196 ( -11.282 0.000 -1.071) 11.332 8.267 ( -5.191 0.000 -1.217) 5.332 8.598 ( 7.181 0.000 -6.002) 9.359 8.733 ( 5.030 0.000 2.900) 5.806 8.737 ( 2.331 0.000 -12.554) 12.769 8.792 ( -0.673 0.000 2.276) 2.373 8.933 ( 3.567 0.000 -2.190) 4.185 8.999 ( -3.052 0.000 -3.277) 4.478 9.494 ( 0.159 0.000 -4.586) 4.588 9.530 ( -0.705 0.000 2.649) 2.741 9.595 ( -7.376 0.000 0.932) 7.434 9.601 ( -14.081 0.000 -0.890) 14.109 10.212 ( 4.186 0.000 -3.430) 5.412 10.368 ( -9.422 0.000 -8.878) 12.946 10.838 ( 9.953 0.000 5.702) 11.471 11.012 ( -7.350 0.000 4.968) 8.871 11.040 ( 8.022 0.000 7.126) 10.730 11.269 ( -13.636 0.000 -0.786) 13.658 11.636 ( 4.786 0.000 -17.129) 17.785 11.728 ( -4.190 0.000 -15.785) 16.331 11.849 ( 6.463 0.000 6.601) 9.239 11.991 ( -7.311 0.000 9.574) 12.046 12.352 ( 9.175 0.000 5.330) 10.611 12.512 ( -4.866 0.000 9.742) 10.890 13.160 ( 11.989 0.000 -16.646) 20.514 13.340 ( -6.555 0.000 -14.466) 15.882 13.402 ( 1.690 0.000 18.225) 18.303 13.436 ( -1.638 0.000 17.686) 17.762 13.747 ( 3.747 0.000 1.078) 3.899 13.833 ( -5.621 0.000 0.908) 5.694 14.351 ( 0.581 0.000 -8.926) 8.945 14.363 ( -0.579 0.000 -8.730) 8.749 14.805 ( 5.629 0.000 2.090) 6.005 14.918 ( -4.053 0.000 -2.880) 4.972 15.334 ( 10.073 0.000 -1.114) 10.134 15.501 ( -5.702 0.000 -4.274) 7.126 15.641 ( 8.829 0.000 11.605) 14.581 15.822 ( -8.062 0.000 12.409) 14.798 15.981 ( 11.538 0.000 4.144) 12.259 16.302 ( -19.323 0.000 0.288) 19.325 17.948 ( 4.140 0.000 20.683) 21.093 18.092 ( -11.869 0.000 31.764) 33.909 19.664 ( 0.077 0.000 1.359) 1.361 19.665 ( -0.086 0.000 1.350) 1.353 19.768 ( 0.057 0.000 -1.244) 1.245 19.769 ( -0.046 0.000 -1.237) 1.237 20.188 ( 8.702 0.000 -12.712) 15.405 20.395 ( -10.720 0.000 -8.613) 13.751 20.998 ( 8.147 0.000 8.625) 11.864 21.199 ( -10.336 0.000 3.570) 10.935 21.488 ( -1.730 0.000 -4.356) 4.687 21.553 ( -7.980 0.000 -4.547) 9.184 24.548 ( 14.644 0.000 2.709) 14.892 24.793 ( -9.786 0.000 -2.773) 10.172 26.089 ( 10.486 0.000 -4.352) 11.353 26.227 ( -2.670 0.000 -8.646) 9.049 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 0.000 22.884 16.688) 28.323 0.771 ( 0.000 22.398 16.263) 27.679 1.610 ( 0.000 39.638 38.906) 55.541 1.974 ( 0.000 7.022 -21.439) 22.560 2.157 ( 0.000 -1.405 -19.660) 19.710 2.367 ( 0.000 5.676 5.256) 7.736 2.568 ( 0.000 14.374 8.315) 16.605 2.589 ( 0.000 1.101 -0.319) 1.146 2.750 ( 0.000 2.542 11.630) 11.904 2.781 ( 0.000 4.147 8.264) 9.246 2.963 ( 0.000 8.148 -5.366) 9.756 3.055 ( 0.000 4.248 -1.230) 4.422 3.056 ( 0.000 -0.091 -1.834) 1.836 3.182 ( 0.000 7.698 1.213) 7.793 3.249 ( 0.000 2.033 2.000) 2.852 3.299 ( 0.000 9.002 -8.480) 12.367 3.362 ( 0.000 7.542 1.987) 7.800 3.617 ( 0.000 -2.170 3.484) 4.104 3.644 ( 0.000 2.983 -2.947) 4.193 4.022 ( 0.000 -4.020 -3.204) 5.141 4.147 ( 0.000 0.700 1.256) 1.438 4.602 ( 0.000 -4.994 3.912) 6.344 4.645 ( 0.000 -0.005 -6.737) 6.737 5.077 ( 0.000 -0.225 -6.549) 6.553 5.264 ( 0.000 23.675 2.045) 23.763 5.360 ( 0.000 28.186 -1.048) 28.205 5.433 ( 0.000 22.922 1.837) 22.995 5.577 ( 0.000 25.982 -1.754) 26.042 5.788 ( 0.000 5.690 1.306) 5.838 6.009 ( 0.000 1.526 -2.491) 2.921 6.465 ( 0.000 -5.118 9.775) 11.034 6.577 ( 0.000 -1.931 0.023) 1.931 7.018 ( 0.000 -0.191 0.721) 0.746 7.122 ( 0.000 -0.398 -0.789) 0.883 7.357 ( 0.000 0.633 -0.848) 1.058 7.367 ( 0.000 5.213 0.065) 5.213 7.596 ( 0.000 1.745 1.366) 2.216 7.897 ( 0.000 4.048 9.688) 10.500 7.995 ( 0.000 -5.271 -12.826) 13.867 8.244 ( 0.000 7.615 -3.484) 8.374 8.350 ( 0.000 -6.784 2.153) 7.117 8.402 ( 0.000 -0.062 0.148) 0.161 8.577 ( 0.000 24.138 -21.224) 32.142 8.631 ( 0.000 -1.492 -11.912) 12.005 8.731 ( 0.000 11.537 0.432) 11.545 8.850 ( 0.000 5.587 6.620) 8.663 8.937 ( 0.000 7.067 -3.787) 8.018 9.120 ( 0.000 5.023 -3.859) 6.335 9.478 ( 0.000 -1.691 17.418) 17.500 9.524 ( 0.000 -7.455 13.856) 15.734 9.935 ( 0.000 1.490 1.281) 1.965 9.994 ( 0.000 9.760 8.778) 13.126 10.289 ( 0.000 7.962 -3.925) 8.877 10.367 ( 0.000 9.202 -0.684) 9.228 10.990 ( 0.000 -2.790 7.244) 7.763 11.061 ( 0.000 -6.354 2.114) 6.696 11.446 ( 0.000 -5.982 -11.312) 12.796 11.627 ( 0.000 2.089 -8.191) 8.453 11.709 ( 0.000 -3.200 -10.561) 11.035 11.884 ( 0.000 27.925 -22.184) 35.664 11.937 ( 0.000 6.176 -2.178) 6.549 12.171 ( 0.000 8.557 -13.151) 15.690 12.297 ( 0.000 0.447 4.746) 4.767 12.478 ( 0.000 -2.070 11.873) 12.052 12.551 ( 0.000 18.839 -21.517) 28.599 13.052 ( 0.000 -25.028 13.147) 28.270 13.139 ( 0.000 -20.117 11.752) 23.298 13.333 ( 0.000 -22.822 -5.950) 23.585 13.811 ( 0.000 7.893 5.725) 9.751 13.875 ( 0.000 -4.439 -24.915) 25.307 14.059 ( 0.000 -14.891 -17.002) 22.601 14.419 ( 0.000 3.831 -11.831) 12.436 14.833 ( 0.000 -2.416 9.695) 9.991 15.050 ( 0.000 4.965 -5.054) 7.084 15.455 ( 0.000 19.362 7.936) 20.925 15.515 ( 0.000 2.181 6.354) 6.717 15.893 ( 0.000 8.851 -1.695) 9.012 15.900 ( 0.000 13.194 0.783) 13.217 16.002 ( 0.000 4.151 12.573) 13.241 16.759 ( 0.000 -3.669 -6.327) 7.314 17.905 ( 0.000 2.482 11.338) 11.607 18.497 ( 0.000 -47.024 30.970) 56.307 18.657 ( 0.000 -28.876 -7.075) 29.730 19.001 ( 0.000 -45.908 -2.225) 45.962 19.387 ( 0.000 -23.119 5.725) 23.817 20.002 ( 0.000 12.872 -10.806) 16.806 20.749 ( 0.000 -11.336 16.050) 19.650 20.800 ( 0.000 22.781 4.988) 23.320 21.656 ( 0.000 26.725 1.385) 26.761 21.800 ( 0.000 18.698 -3.300) 18.987 22.000 ( 0.000 14.084 4.449) 14.770 22.497 ( 0.000 19.533 -17.970) 26.541 24.067 ( 0.000 2.510 2.110) 3.279 24.624 ( 0.000 -5.941 -14.354) 15.535 25.213 ( 0.000 -9.013 14.516) 17.087 25.754 ( 0.000 -15.966 -0.098) 15.966 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 16.471 16.044 15.138) 27.529 1.023 ( 20.066 17.257 12.169) 29.129 1.802 ( 18.479 33.604 32.059) 49.985 2.002 ( 0.223 4.151 -18.006) 18.479 2.132 ( -9.683 5.609 -5.412) 12.430 2.274 ( -0.392 6.033 -1.792) 6.306 2.444 ( -6.922 9.114 0.950) 11.484 2.571 ( -1.857 1.757 -1.967) 3.226 2.720 ( -3.779 2.344 10.459) 11.365 2.819 ( -0.060 6.556 2.776) 7.120 2.892 ( -5.110 4.032 -1.846) 6.766 2.913 ( -5.135 4.762 0.681) 7.036 3.091 ( -3.131 6.836 2.120) 7.812 3.243 ( 4.335 5.774 0.158) 7.222 3.272 ( 4.902 5.918 -2.594) 8.110 3.289 ( 3.181 4.965 1.198) 6.017 3.504 ( 4.126 2.527 -4.896) 6.883 3.600 ( -0.148 1.488 2.734) 3.116 3.755 ( 7.456 1.092 -4.317) 8.685 3.963 ( -8.919 -4.747 1.175) 10.171 4.132 ( 1.151 2.712 -1.536) 3.323 4.371 ( -10.524 0.569 3.896) 11.236 4.782 ( 5.433 -3.005 -4.164) 7.475 5.043 ( -3.317 -0.872 -5.705) 6.656 5.274 ( 1.272 24.600 1.758) 24.695 5.393 ( 2.284 27.196 -1.641) 27.341 5.430 ( -0.364 25.146 1.476) 25.192 5.559 ( -1.806 26.944 -1.881) 27.070 5.876 ( 8.047 2.895 0.510) 8.567 6.077 ( 4.801 0.376 -3.633) 6.032 6.392 ( -5.261 -0.005 7.433) 9.107 6.510 ( -5.844 -1.296 1.370) 6.141 7.109 ( 7.620 -1.768 0.508) 7.839 7.247 ( 6.458 -6.896 -1.999) 9.657 7.393 ( 3.930 2.594 2.595) 5.377 7.493 ( 11.043 -3.580 -1.495) 11.705 7.694 ( 7.793 1.764 -0.627) 8.015 7.878 ( 0.003 2.625 6.960) 7.439 8.021 ( 1.945 -3.100 -7.974) 8.774 8.125 ( -8.250 -0.025 0.903) 8.299 8.325 ( 3.584 8.104 -3.873) 9.671 8.449 ( -5.638 -2.216 -3.138) 6.823 8.554 ( 2.849 6.481 -10.030) 12.277 8.747 ( 7.127 9.296 -10.891) 15.995 8.766 ( 3.514 10.381 -2.782) 11.307 8.865 ( 0.826 7.667 4.200) 8.781 8.946 ( 1.361 7.614 -1.590) 7.896 9.098 ( -2.473 4.909 -2.477) 6.029 9.366 ( -2.969 -3.625 11.897) 12.787 9.670 ( 6.293 -0.600 2.939) 6.971 9.815 ( -11.295 2.869 2.359) 11.890 10.058 ( -0.546 9.924 8.760) 13.248 10.176 ( -3.186 5.642 -5.284) 8.361 10.319 ( -4.740 10.364 1.721) 11.526 10.928 ( -3.321 -3.693 7.833) 9.275 11.041 ( -1.567 -4.567 3.332) 5.867 11.398 ( -9.413 -1.721 -13.046) 16.179 11.462 ( -10.809 5.329 -13.892) 18.391 11.630 ( -6.599 3.989 -6.441) 10.047 11.783 ( -7.528 15.318 -14.656) 22.497 11.925 ( 2.163 7.655 -2.899) 8.466 12.196 ( -4.990 4.719 6.301) 9.320 12.251 ( 7.422 6.840 -0.635) 10.113 12.517 ( 8.232 1.364 7.623) 11.302 12.883 ( 14.785 -0.072 -16.713) 22.314 13.054 ( 0.374 -24.595 11.792) 27.278 13.116 ( -1.265 -20.661 11.130) 23.502 13.328 ( -0.554 -22.303 -6.229) 23.163 13.721 ( -4.374 2.190 -0.456) 4.913 13.836 ( -6.651 -7.214 -8.582) 13.036 14.168 ( 8.770 -6.115 -18.419) 21.297 14.419 ( -0.222 3.556 -12.576) 13.071 14.892 ( 4.502 -0.388 5.869) 7.407 15.043 ( -2.647 9.539 -0.108) 9.900 15.358 ( -2.417 14.930 14.451) 20.919 15.557 ( 3.861 4.735 7.707) 9.835 15.811 ( -5.166 15.659 0.951) 16.516 15.908 ( 1.937 7.765 -1.647) 8.171 15.963 ( -3.902 2.489 15.556) 16.230 16.623 ( -13.327 -2.965 -4.862) 14.493 17.920 ( 1.353 2.269 11.696) 11.990 18.248 ( -13.903 -17.916 27.106) 35.341 18.814 ( 7.450 -43.461 -2.749) 44.180 18.995 ( -0.670 -45.891 -2.448) 45.961 19.405 ( 1.812 -22.172 5.876) 23.008 19.828 ( -14.445 2.840 4.910) 15.519 20.625 ( -1.868 7.970 -1.961) 8.417 20.924 ( 5.076 9.603 4.644) 11.813 21.534 ( -21.569 37.694 4.743) 43.687 21.633 ( -3.493 26.287 1.664) 26.570 21.803 ( -9.087 20.207 -3.011) 22.360 22.060 ( -19.193 27.124 -5.966) 33.759 24.189 ( 13.374 -4.006 5.691) 15.077 24.833 ( -0.176 -8.133 -11.413) 14.016 25.613 ( 25.347 -18.752 -5.080) 31.936 25.858 ( 9.198 -19.876 -1.834) 21.978 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 21.425 12.407 9.170) 26.402 1.451 ( 21.066 10.943 9.966) 25.745 1.769 ( -20.109 9.966 5.803) 23.182 1.847 ( -16.164 7.495 2.495) 17.991 2.239 ( 13.649 13.009 0.890) 18.876 2.345 ( 5.976 11.586 4.076) 13.659 2.491 ( 7.932 3.239 -12.029) 14.768 2.508 ( 0.549 2.387 -5.350) 5.884 2.638 ( -2.576 2.820 2.786) 4.727 2.720 ( -6.414 6.296 2.526) 9.336 2.830 ( 2.293 4.387 3.483) 6.052 2.961 ( 3.830 7.155 7.696) 11.185 2.998 ( -3.917 6.517 3.989) 8.586 3.252 ( -14.483 6.859 3.746) 16.458 3.319 ( 1.891 6.661 -0.083) 6.924 3.364 ( -7.289 7.921 0.235) 10.767 3.422 ( 7.094 2.653 -1.009) 7.641 3.551 ( -5.437 0.389 -3.711) 6.594 3.846 ( 3.943 0.304 -6.529) 7.633 3.883 ( 1.698 0.003 1.318) 2.149 4.201 ( 3.332 -0.395 -1.351) 3.617 4.252 ( -3.042 -0.938 2.909) 4.312 4.871 ( 4.247 -1.399 -3.882) 5.922 4.961 ( -4.558 -1.142 -3.651) 5.951 5.318 ( 2.994 24.828 1.290) 25.041 5.380 ( -2.796 24.900 1.149) 25.083 5.458 ( 2.440 29.858 -1.900) 30.018 5.511 ( -2.806 29.114 -1.905) 29.311 6.048 ( 7.735 -0.084 -1.020) 7.802 6.137 ( -0.207 0.149 -4.154) 4.161 6.318 ( -0.534 1.104 6.693) 6.804 6.385 ( -5.897 -0.457 3.722) 6.988 7.251 ( 5.632 -3.449 -3.032) 7.267 7.307 ( 0.103 -5.088 -3.816) 6.361 7.500 ( 5.039 -1.269 4.638) 6.965 7.579 ( -2.399 -1.434 2.226) 3.573 7.890 ( 10.240 -2.390 -1.936) 10.692 7.931 ( 2.403 -2.704 -0.989) 3.750 8.000 ( 1.515 2.448 2.055) 3.537 8.141 ( 4.199 -1.020 -2.412) 4.948 8.251 ( -8.891 2.737 -1.661) 9.449 8.348 ( -5.705 1.250 -1.402) 6.006 8.680 ( 11.155 8.752 -4.972) 15.025 8.803 ( 0.137 1.421 -0.312) 1.461 8.862 ( 2.208 8.550 0.803) 8.867 8.899 ( 1.122 14.954 -4.420) 15.634 9.003 ( 4.048 7.187 -0.038) 8.249 9.061 ( -0.879 5.903 -2.807) 6.596 9.332 ( -1.047 -2.811 2.301) 3.781 9.463 ( -15.752 -0.579 0.193) 15.764 9.816 ( 4.169 12.829 -3.908) 14.044 9.909 ( -7.087 17.480 -2.120) 18.981 10.236 ( 1.962 0.224 1.296) 2.362 10.258 ( -0.082 4.152 -0.192) 4.157 10.930 ( 3.342 -3.596 2.650) 5.579 11.067 ( 3.289 2.760 3.255) 5.388 11.096 ( -9.827 6.123 -3.777) 12.179 11.284 ( -11.825 0.196 -1.627) 11.939 11.576 ( 1.989 0.042 -10.791) 10.973 11.658 ( -5.420 0.605 -10.909) 12.196 11.998 ( 4.600 6.959 -0.339) 8.348 12.098 ( -5.253 5.589 2.525) 8.075 12.434 ( 9.997 8.265 7.544) 15.005 12.586 ( -3.104 5.410 9.772) 11.593 13.023 ( 1.871 -18.459 4.279) 19.041 13.051 ( -1.133 -20.757 9.006) 22.655 13.190 ( 7.498 -15.743 -5.366) 18.245 13.298 ( -3.013 -19.533 -7.124) 21.009 13.663 ( -1.366 -3.762 1.274) 4.200 13.694 ( -5.171 -6.603 0.793) 8.424 14.323 ( 5.945 -1.140 -17.406) 18.429 14.399 ( -2.084 2.003 -14.388) 14.675 14.951 ( 1.364 7.366 2.828) 8.008 14.979 ( -1.704 7.460 3.495) 8.413 15.494 ( 12.346 12.722 0.486) 17.735 15.672 ( 6.713 3.606 12.107) 14.305 15.705 ( -6.192 15.392 -1.662) 16.674 15.841 ( -8.107 2.367 16.618) 18.641 16.008 ( 9.045 3.480 2.365) 9.976 16.287 ( -18.035 -1.161 0.387) 18.076 17.959 ( 2.814 1.187 14.269) 14.592 18.047 ( -6.617 -3.073 20.453) 21.715 18.921 ( 3.710 -45.619 -3.304) 45.889 18.972 ( -1.701 -45.869 -2.914) 45.993 19.463 ( 4.223 -18.859 6.624) 20.430 19.586 ( -8.809 -11.310 8.402) 16.617 20.712 ( 9.240 13.698 -13.430) 21.292 20.916 ( -7.959 10.477 -9.436) 16.191 21.317 ( 0.994 35.938 8.244) 36.885 21.465 ( -10.953 26.016 4.714) 28.619 21.727 ( 0.772 25.017 -2.933) 25.200 21.806 ( -7.555 25.749 -4.612) 27.228 24.481 ( 14.293 -6.067 2.856) 15.788 24.721 ( -9.442 -6.864 -2.645) 11.969 25.920 ( 8.691 -16.163 -4.080) 18.800 25.995 ( 1.753 -20.366 -4.648) 20.963 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.000 26.844 9.209) 28.380 1.353 ( 0.000 31.159 -1.482) 31.194 2.171 ( 0.000 12.161 -18.213) 21.900 2.192 ( 0.000 5.756 -18.783) 19.645 2.403 ( 0.000 37.136 25.921) 45.288 2.551 ( 0.000 12.616 2.649) 12.891 2.648 ( 0.000 4.836 -0.745) 4.893 2.821 ( 0.000 7.962 11.185) 13.729 2.875 ( 0.000 5.374 9.563) 10.969 2.904 ( 0.000 13.432 3.981) 14.009 3.085 ( 0.000 3.217 -1.236) 3.446 3.121 ( 0.000 5.967 -1.999) 6.293 3.194 ( 0.000 10.247 -4.531) 11.204 3.257 ( 0.000 -0.393 6.722) 6.733 3.357 ( 0.000 7.796 0.884) 7.846 3.507 ( 0.000 10.589 -2.794) 10.951 3.529 ( 0.000 9.186 -0.694) 9.212 3.682 ( 0.000 7.859 2.237) 8.171 3.774 ( 0.000 9.128 -8.164) 12.246 3.953 ( 0.000 -0.389 5.732) 5.745 4.216 ( 0.000 5.584 -3.105) 6.389 4.554 ( 0.000 0.210 3.838) 3.844 4.674 ( 0.000 2.903 -7.492) 8.035 5.044 ( 0.000 -2.332 -6.275) 6.694 5.736 ( 0.000 15.806 -1.606) 15.888 5.830 ( 0.000 13.485 -1.976) 13.629 5.907 ( 0.000 17.341 5.700) 18.254 6.046 ( 0.000 4.519 1.360) 4.719 6.108 ( 0.000 31.954 0.472) 31.957 6.201 ( 0.000 30.190 -3.132) 30.352 6.503 ( 0.000 8.441 3.094) 8.991 6.604 ( 0.000 6.972 0.247) 6.976 7.023 ( 0.000 1.151 1.002) 1.526 7.117 ( 0.000 0.506 -0.479) 0.697 7.371 ( 0.000 1.085 1.292) 1.687 7.545 ( 0.000 12.054 -3.224) 12.477 7.700 ( 0.000 8.053 -6.075) 10.087 7.877 ( 0.000 -5.606 -13.914) 15.000 8.027 ( 0.000 8.626 8.415) 12.050 8.265 ( 0.000 -0.368 0.195) 0.417 8.266 ( 0.000 -2.964 0.810) 3.073 8.433 ( 0.000 1.305 -3.225) 3.479 8.736 ( 0.000 6.086 -3.461) 7.002 8.859 ( 0.000 2.490 -3.578) 4.359 8.919 ( 0.000 4.966 5.999) 7.788 8.998 ( 0.000 20.013 -10.005) 22.374 9.144 ( 0.000 14.076 -2.854) 14.362 9.319 ( 0.000 14.811 -1.099) 14.851 9.533 ( 0.000 8.377 14.218) 16.502 9.537 ( 0.000 7.690 12.417) 14.605 9.982 ( 0.000 3.772 4.581) 5.934 10.320 ( 0.000 18.013 -0.647) 18.025 10.482 ( 0.000 9.669 -2.083) 9.890 10.570 ( 0.000 9.364 -0.387) 9.372 10.979 ( 0.000 2.591 0.355) 2.615 11.015 ( 0.000 4.330 -2.470) 4.985 11.329 ( 0.000 -5.397 -0.713) 5.444 11.575 ( 0.000 -11.580 -6.505) 13.282 11.583 ( 0.000 -4.281 -3.240) 5.369 12.030 ( 0.000 1.021 3.638) 3.779 12.183 ( 0.000 -0.583 -21.476) 21.484 12.303 ( 0.000 -3.803 14.153) 14.655 12.349 ( 0.000 10.704 -2.890) 11.087 12.350 ( 0.000 -7.897 12.476) 14.765 12.485 ( 0.000 -18.125 -2.811) 18.342 12.612 ( 0.000 -11.138 3.629) 11.714 12.759 ( 0.000 -29.650 0.859) 29.662 12.828 ( 0.000 -9.361 5.716) 10.968 13.842 ( 0.000 -6.026 -33.160) 33.703 13.890 ( 0.000 0.758 4.153) 4.221 13.963 ( 0.000 7.031 -27.754) 28.631 14.485 ( 0.000 2.130 -19.146) 19.264 14.760 ( 0.000 -3.285 9.099) 9.674 15.153 ( 0.000 5.018 -6.732) 8.396 15.513 ( 0.000 -2.894 11.496) 11.854 15.868 ( 0.000 19.259 5.953) 20.158 15.957 ( 0.000 0.762 16.834) 16.852 16.117 ( 0.000 12.333 -2.545) 12.592 16.128 ( 0.000 0.642 11.010) 11.029 16.661 ( 0.000 -5.762 -4.668) 7.415 17.941 ( 0.000 2.129 -2.645) 3.395 18.099 ( 0.000 -25.325 -1.990) 25.403 18.099 ( 0.000 -1.338 0.609) 1.470 18.166 ( 0.000 -36.001 -2.370) 36.079 18.889 ( 0.000 -23.817 16.646) 29.057 20.138 ( 0.000 0.995 -17.612) 17.640 20.360 ( 0.000 -24.581 25.882) 35.695 20.938 ( 0.000 -5.486 3.195) 6.348 22.252 ( 0.000 30.123 0.077) 30.123 22.257 ( 0.000 23.487 0.019) 23.487 22.437 ( 0.000 25.306 2.510) 25.430 22.673 ( 0.000 1.390 -3.170) 3.461 24.183 ( 0.000 7.810 -2.542) 8.213 24.483 ( 0.000 -7.137 -11.474) 13.513 24.970 ( 0.000 -14.585 11.868) 18.803 25.395 ( 0.000 -19.879 -1.527) 19.937 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 9.815 23.228 7.169) 26.216 1.488 ( 11.124 26.865 1.644) 29.124 2.135 ( -1.943 9.247 -14.294) 17.134 2.283 ( 1.127 8.979 -12.978) 15.822 2.404 ( -4.107 15.406 2.406) 16.124 2.536 ( 6.316 26.767 15.139) 31.394 2.631 ( -3.394 9.850 2.498) 10.714 2.657 ( -6.428 7.420 2.680) 10.176 2.822 ( -4.614 6.839 5.699) 10.027 2.979 ( -4.489 6.460 0.478) 7.881 2.984 ( 2.105 9.800 6.861) 12.147 3.082 ( -4.403 9.497 0.450) 10.478 3.214 ( 1.228 5.391 -0.818) 5.589 3.347 ( 4.465 4.562 0.584) 6.410 3.429 ( 4.485 8.026 0.114) 9.195 3.446 ( 1.602 10.323 2.009) 10.638 3.597 ( 0.142 7.408 -2.798) 7.920 3.671 ( -0.013 4.643 2.433) 5.242 3.848 ( 4.834 7.167 -7.114) 11.196 3.923 ( -2.521 2.590 8.140) 8.907 4.229 ( 1.506 6.596 -3.862) 7.790 4.423 ( -8.873 5.110 1.945) 10.422 4.752 ( 5.039 -0.103 -4.950) 7.064 5.014 ( -2.910 -1.850 -5.952) 6.879 5.776 ( 2.925 18.702 -0.495) 18.936 5.864 ( 4.346 11.985 -2.376) 12.968 5.966 ( 5.165 13.378 3.541) 14.771 6.033 ( -2.581 18.029 0.747) 18.228 6.137 ( 3.072 18.816 0.519) 19.072 6.212 ( 1.016 30.542 -2.825) 30.689 6.470 ( -3.252 8.397 2.965) 9.480 6.555 ( -4.926 9.596 0.629) 10.804 7.093 ( 6.139 0.620 1.034) 6.256 7.175 ( 4.793 -0.818 0.201) 4.867 7.439 ( 6.172 -2.144 0.753) 6.577 7.540 ( 0.432 11.784 -1.895) 11.943 7.757 ( 4.308 3.043 -6.613) 8.459 7.900 ( 1.720 -1.807 -10.462) 10.756 8.038 ( 1.863 7.019 5.719) 9.244 8.150 ( -5.567 4.865 0.547) 7.414 8.318 ( 0.412 -5.891 -1.363) 6.061 8.424 ( -1.114 2.066 -4.070) 4.698 8.745 ( 1.824 4.226 -3.159) 5.583 8.868 ( -3.502 7.672 1.890) 8.642 8.924 ( 4.739 5.998 1.922) 7.882 9.080 ( 6.461 13.104 -5.467) 15.600 9.166 ( 1.981 13.308 -2.618) 13.707 9.286 ( -5.344 14.582 5.281) 16.404 9.427 ( -0.228 9.340 5.917) 11.059 9.711 ( 8.165 7.991 4.606) 12.319 9.916 ( -5.651 7.528 5.301) 10.804 10.350 ( 1.541 13.822 -2.462) 14.124 10.377 ( -7.193 11.681 -1.554) 13.806 10.572 ( -2.317 12.356 1.965) 12.724 10.876 ( -6.955 0.246 2.765) 7.489 11.024 ( 1.745 4.703 -1.465) 5.226 11.286 ( -4.832 -3.553 -3.396) 6.892 11.437 ( -9.023 -4.796 -8.576) 13.341 11.597 ( -1.405 -7.973 -1.510) 8.235 12.003 ( -3.436 2.287 3.017) 5.113 12.035 ( -10.477 0.919 -12.786) 16.556 12.210 ( -5.796 -5.578 7.403) 10.932 12.409 ( 5.199 -8.399 -1.952) 10.069 12.450 ( 7.122 2.374 4.734) 8.875 12.573 ( 3.993 -16.945 6.987) 18.759 12.674 ( 4.901 -15.971 -0.398) 16.711 12.762 ( 0.950 -22.953 2.616) 23.121 12.811 ( -0.465 -9.443 7.059) 11.798 13.712 ( -5.363 -1.718 -13.068) 14.230 13.884 ( -5.093 7.387 -23.873) 25.503 14.100 ( 10.208 -2.199 -15.773) 18.916 14.466 ( -2.053 0.613 -18.626) 18.748 14.853 ( 8.040 -1.836 6.164) 10.296 15.201 ( 2.490 5.736 -3.280) 7.061 15.504 ( 1.103 -0.247 9.751) 9.816 15.791 ( -4.170 14.882 11.986) 19.558 15.940 ( -2.274 1.592 18.667) 18.872 16.101 ( -2.008 11.227 -3.075) 11.813 16.122 ( 0.155 7.154 6.409) 9.606 16.550 ( -10.926 -3.909 -3.123) 12.017 17.949 ( 0.896 0.075 -1.778) 1.992 18.063 ( -2.116 -4.813 0.756) 5.311 18.127 ( 1.331 -24.138 -2.515) 24.305 18.168 ( 0.103 -32.645 -2.552) 32.745 18.929 ( 4.060 -22.792 17.086) 28.773 19.749 ( -25.580 -10.430 15.412) 31.633 20.531 ( 8.957 -10.629 -7.331) 15.714 20.943 ( -0.841 -7.868 0.540) 7.931 22.142 ( -8.658 26.017 2.737) 27.556 22.225 ( -3.824 30.226 1.023) 30.484 22.350 ( -4.866 29.025 -0.343) 29.432 22.556 ( -9.576 16.174 -4.711) 19.377 24.151 ( 5.540 1.260 3.754) 6.809 24.635 ( 1.066 -10.533 -9.718) 14.371 25.186 ( 19.195 -21.061 4.366) 28.828 25.459 ( 5.320 -20.935 -1.563) 21.657 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 17.516 15.729 5.659) 24.212 1.747 ( 14.160 19.976 2.245) 24.588 2.003 ( -13.667 9.058 0.237) 16.398 2.046 ( -15.333 16.049 0.442) 22.201 2.500 ( 2.282 11.841 -3.331) 12.511 2.524 ( 5.708 5.703 -11.483) 14.035 2.591 ( -2.970 6.359 -8.750) 11.217 2.680 ( -4.445 9.867 -2.876) 11.198 2.787 ( 5.328 14.980 11.856) 19.834 2.883 ( -5.531 9.973 3.755) 12.007 2.997 ( 4.319 11.233 5.844) 13.379 3.105 ( -2.307 7.861 7.579) 11.160 3.212 ( 7.993 13.562 1.428) 15.807 3.435 ( 0.350 7.915 0.946) 7.979 3.475 ( -1.266 9.195 3.698) 9.991 3.508 ( 2.371 7.834 0.192) 8.187 3.541 ( -5.101 7.999 2.403) 9.786 3.581 ( -5.336 3.648 -2.362) 6.882 3.897 ( 2.875 4.402 4.332) 6.812 3.935 ( 0.610 5.124 1.249) 5.309 4.265 ( 1.463 6.599 -4.276) 7.998 4.297 ( -3.119 6.440 -1.074) 7.236 4.851 ( 4.794 -0.758 -4.577) 6.671 4.940 ( -4.237 -1.019 -5.047) 6.668 5.845 ( 4.438 21.157 0.573) 21.626 5.947 ( -5.142 23.889 0.707) 24.447 5.983 ( 5.861 9.254 -3.124) 11.391 6.051 ( 0.780 6.448 -0.988) 6.570 6.198 ( 4.114 27.919 -0.001) 28.220 6.252 ( 1.871 23.006 -2.119) 23.179 6.389 ( -3.539 8.362 4.011) 9.926 6.431 ( -6.268 10.730 2.254) 12.629 7.214 ( 4.710 0.359 0.599) 4.761 7.249 ( 1.427 -0.336 0.535) 1.560 7.554 ( 3.634 -2.110 0.588) 4.243 7.566 ( 1.507 6.967 -0.018) 7.128 7.851 ( 4.693 0.055 -5.016) 6.869 7.910 ( -1.192 -0.926 -5.666) 5.863 8.078 ( 1.092 1.200 -2.175) 2.713 8.110 ( 1.309 2.091 -1.756) 3.028 8.302 ( -0.309 2.298 -0.571) 2.388 8.367 ( -4.767 7.973 -0.822) 9.325 8.782 ( 1.325 -1.353 -0.054) 1.894 8.815 ( -1.577 2.979 -1.117) 3.551 9.033 ( 6.027 6.777 7.746) 11.927 9.138 ( -4.705 6.332 7.294) 10.744 9.226 ( 8.286 14.446 -2.465) 16.835 9.284 ( 5.140 18.494 -4.080) 19.624 9.428 ( -0.522 10.625 -0.598) 10.655 9.591 ( -15.009 13.039 -2.334) 20.018 10.025 ( 12.329 11.359 1.566) 16.836 10.228 ( -7.816 14.931 -2.934) 17.106 10.370 ( 0.771 9.430 0.716) 9.488 10.453 ( -7.395 11.215 2.100) 13.597 10.851 ( 5.856 -3.109 3.066) 7.305 11.050 ( -8.617 -3.571 -4.018) 10.156 11.169 ( 3.218 7.091 -1.834) 8.000 11.296 ( -5.835 0.228 -8.237) 10.097 11.585 ( 2.503 -2.738 -0.826) 3.801 11.746 ( -12.960 4.065 -3.045) 13.920 12.035 ( 3.074 -3.714 -0.117) 4.823 12.115 ( -4.552 -5.519 1.560) 7.322 12.487 ( 2.789 -15.634 0.341) 15.884 12.520 ( -0.145 -14.662 3.191) 15.006 12.661 ( 3.902 -12.251 3.704) 13.381 12.701 ( -0.690 -20.990 1.140) 21.033 12.821 ( 3.222 -11.052 7.751) 13.878 12.844 ( 2.055 -4.379 9.576) 10.728 13.660 ( 0.517 2.842 -12.234) 12.570 13.745 ( -7.351 7.869 -15.910) 19.212 14.282 ( 7.747 -3.099 -17.699) 19.567 14.402 ( -4.445 -1.749 -18.211) 18.827 15.017 ( 7.564 1.789 3.504) 8.526 15.150 ( -5.980 5.635 5.034) 9.636 15.684 ( 15.428 4.663 -4.541) 16.745 15.782 ( 2.839 7.048 16.887) 18.518 15.869 ( -4.261 2.138 21.818) 22.333 15.995 ( -10.349 8.588 -4.039) 14.042 16.155 ( 3.309 9.965 2.808) 10.869 16.291 ( -11.763 3.246 2.800) 12.520 17.977 ( 1.829 -2.074 -0.463) 2.803 18.018 ( -2.250 -2.802 0.558) 3.636 18.150 ( 1.018 -28.095 -3.030) 28.276 18.165 ( -0.450 -29.804 -2.896) 29.948 19.057 ( 9.147 -19.827 18.587) 28.675 19.312 ( -17.273 -15.191 20.551) 30.846 20.705 ( 8.874 -8.528 -13.756) 18.458 20.868 ( -6.703 -9.708 -8.189) 14.361 22.031 ( -1.115 31.479 4.523) 31.822 22.096 ( -6.690 31.809 3.895) 32.737 22.324 ( 1.407 29.534 -2.759) 29.696 22.394 ( -5.866 26.766 -4.222) 27.725 24.346 ( 11.444 -6.254 2.802) 13.339 24.547 ( -8.129 -9.582 -1.968) 12.719 25.486 ( 8.911 -24.601 -1.688) 26.219 25.546 ( 1.924 -23.228 -1.777) 23.375 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.000 26.036 5.348) 26.579 1.939 ( 0.000 26.774 -3.932) 27.061 2.384 ( 0.000 12.752 -14.844) 19.569 2.432 ( 0.000 13.205 -13.106) 18.604 2.765 ( 0.000 11.049 -0.119) 11.050 2.775 ( 0.000 7.611 0.082) 7.612 2.975 ( 0.000 8.747 9.739) 13.090 2.997 ( 0.000 6.672 9.619) 11.706 3.060 ( 0.000 2.544 3.691) 4.483 3.116 ( 0.000 19.281 9.783) 21.621 3.219 ( 0.000 18.666 7.503) 20.117 3.241 ( 0.000 6.311 -1.843) 6.575 3.327 ( 0.000 7.789 4.026) 8.767 3.359 ( 0.000 4.562 -4.819) 6.636 3.513 ( 0.000 9.065 0.314) 9.070 3.618 ( 0.000 -0.516 -4.555) 4.584 3.734 ( 0.000 10.909 -0.434) 10.918 3.864 ( 0.000 9.595 2.179) 9.840 3.945 ( 0.000 8.776 0.308) 8.781 4.082 ( 0.000 10.305 11.570) 15.494 4.360 ( 0.000 9.180 -7.384) 11.781 4.630 ( 0.000 7.743 -0.587) 7.766 4.755 ( 0.000 4.886 -7.772) 9.181 4.993 ( 0.000 -2.570 -5.238) 5.834 5.913 ( 0.000 -1.469 -1.090) 1.830 5.916 ( 0.000 5.428 -1.865) 5.740 6.088 ( 0.000 0.648 1.821) 1.933 6.142 ( 0.000 5.882 0.713) 5.925 6.689 ( 0.000 15.035 -0.123) 15.035 6.741 ( 0.000 24.608 -1.560) 24.658 6.764 ( 0.000 14.383 0.635) 14.398 6.811 ( 0.000 10.453 0.296) 10.457 7.097 ( 0.000 8.116 2.263) 8.426 7.184 ( 0.000 6.750 -0.469) 6.766 7.426 ( 0.000 5.164 4.153) 6.627 7.645 ( 0.000 -5.089 -6.211) 8.029 7.903 ( 0.000 11.766 -9.845) 15.341 7.956 ( 0.000 14.778 -11.164) 18.521 8.199 ( 0.000 -4.172 7.034) 8.178 8.207 ( 0.000 8.982 3.657) 9.699 8.380 ( 0.000 11.837 0.438) 11.846 8.462 ( 0.000 2.112 -4.983) 5.412 8.732 ( 0.000 2.400 11.553) 11.800 8.922 ( 0.000 4.600 0.095) 4.601 9.175 ( 0.000 14.523 -1.180) 14.571 9.389 ( 0.000 18.205 -7.641) 19.743 9.473 ( 0.000 17.091 1.851) 17.191 9.711 ( 0.000 22.926 3.135) 23.139 9.762 ( 0.000 15.432 5.059) 16.240 9.769 ( 0.000 13.024 9.085) 15.880 10.103 ( 0.000 8.652 8.782) 12.328 10.584 ( 0.000 7.759 3.002) 8.320 10.714 ( 0.000 15.912 -8.207) 17.904 10.750 ( 0.000 9.890 0.011) 9.890 11.054 ( 0.000 2.300 -4.489) 5.044 11.115 ( 0.000 -17.802 1.871) 17.900 11.186 ( 0.000 5.517 -9.683) 11.144 11.364 ( 0.000 -5.657 -6.538) 8.646 11.459 ( 0.000 -10.226 -2.802) 10.603 11.687 ( 0.000 -34.694 -10.294) 36.189 11.861 ( 0.000 -10.232 10.263) 14.492 12.030 ( 0.000 -23.851 0.125) 23.851 12.190 ( 0.000 -0.623 9.488) 9.508 12.418 ( 0.000 6.938 14.125) 15.737 12.499 ( 0.000 6.925 -0.385) 6.935 12.610 ( 0.000 4.778 0.328) 4.789 12.654 ( 0.000 9.489 2.239) 9.749 12.755 ( 0.000 3.964 6.570) 7.673 13.693 ( 0.000 -8.266 -29.729) 30.857 13.874 ( 0.000 -1.729 3.289) 3.716 14.086 ( 0.000 3.517 -19.116) 19.437 14.431 ( 0.000 -7.636 -6.996) 10.357 14.804 ( 0.000 7.995 -9.976) 12.784 15.233 ( 0.000 2.403 -7.960) 8.315 15.413 ( 0.000 -6.424 11.468) 13.144 15.954 ( 0.000 -2.658 19.929) 20.106 16.081 ( 0.000 -1.753 6.988) 7.204 16.156 ( 0.000 8.631 -5.705) 10.346 16.328 ( 0.000 6.697 -4.005) 7.803 16.545 ( 0.000 -5.170 -0.924) 5.252 17.600 ( 0.000 -18.755 1.574) 18.820 17.698 ( 0.000 -14.415 3.919) 14.938 17.995 ( 0.000 -8.275 -7.606) 11.239 18.104 ( 0.000 6.128 -15.877) 17.019 18.589 ( 0.000 -2.305 22.917) 23.033 19.838 ( 0.000 -26.136 30.843) 40.428 20.078 ( 0.000 -6.110 -20.281) 21.181 20.715 ( 0.000 -14.845 1.401) 14.911 22.613 ( 0.000 -3.589 0.056) 3.590 22.617 ( 0.000 10.502 0.055) 10.502 22.808 ( 0.000 21.383 0.833) 21.399 22.873 ( 0.000 16.624 -0.714) 16.640 24.335 ( 0.000 6.597 -2.367) 7.009 24.381 ( 0.000 -2.411 -5.821) 6.301 24.669 ( 0.000 -14.315 8.177) 16.485 24.978 ( 0.000 -21.011 -1.923) 21.099 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 3.224 23.340 4.343) 23.958 2.016 ( 6.524 24.729 -1.746) 25.635 2.358 ( -3.530 12.205 -9.154) 15.660 2.486 ( 3.741 11.051 -13.149) 17.579 2.649 ( -10.057 10.217 1.323) 14.397 2.755 ( -2.846 8.270 -1.597) 8.891 2.818 ( -4.524 9.159 2.446) 10.504 2.955 ( -5.287 6.821 3.130) 9.180 3.096 ( -0.639 13.622 4.886) 14.486 3.134 ( 2.002 7.463 6.144) 9.872 3.225 ( -2.037 17.825 5.288) 18.704 3.278 ( 0.362 9.752 4.946) 10.940 3.344 ( 7.112 10.031 0.810) 12.323 3.423 ( 3.652 2.803 -2.409) 5.196 3.562 ( 2.807 5.944 -2.803) 7.146 3.646 ( 5.720 8.759 3.333) 10.979 3.765 ( 0.654 8.294 0.695) 8.349 3.799 ( -5.176 8.628 3.458) 10.639 3.977 ( 2.054 6.258 1.486) 6.752 4.076 ( -0.573 9.866 10.509) 14.426 4.390 ( 2.551 9.457 -7.256) 12.190 4.582 ( -4.218 10.588 -1.851) 11.546 4.784 ( 2.694 3.451 -6.654) 7.965 4.973 ( -1.863 -1.916 -5.678) 6.276 5.928 ( 1.536 -1.976 -0.850) 2.643 5.947 ( 2.649 3.208 -1.835) 4.547 6.124 ( 2.855 0.804 1.013) 3.134 6.146 ( 0.447 4.883 0.635) 4.945 6.658 ( -3.416 18.298 1.448) 18.671 6.682 ( -4.339 12.638 0.803) 13.386 6.817 ( 5.998 22.918 -0.289) 23.691 6.878 ( 3.890 17.478 -1.012) 17.935 7.145 ( 4.828 4.905 0.888) 6.940 7.209 ( 2.573 5.395 -0.452) 5.994 7.430 ( 0.764 2.588 4.129) 4.933 7.696 ( 5.241 -4.189 -6.773) 9.534 7.874 ( -4.694 16.367 -8.257) 18.924 7.962 ( 0.727 7.501 -11.060) 13.384 8.155 ( -2.698 -0.546 7.436) 7.929 8.249 ( -0.700 3.038 2.247) 3.843 8.346 ( 1.264 13.234 0.690) 13.312 8.525 ( 6.469 8.279 -3.783) 11.167 8.788 ( 4.151 5.233 8.776) 11.028 8.895 ( -1.963 2.948 3.803) 5.197 9.262 ( 0.647 18.876 -1.569) 18.953 9.329 ( 1.909 11.406 -3.070) 11.965 9.479 ( -3.421 18.156 3.820) 18.866 9.614 ( -2.212 15.228 3.336) 15.745 9.714 ( -0.908 19.457 -1.129) 19.511 9.926 ( 7.327 10.400 4.063) 13.355 10.124 ( 1.328 13.378 8.520) 15.916 10.553 ( -2.348 8.591 1.915) 9.110 10.636 ( -4.295 14.896 -6.253) 16.717 10.765 ( -2.076 7.289 0.191) 7.581 10.932 ( -9.287 4.152 -1.981) 10.364 11.097 ( -0.222 -7.513 -0.940) 7.575 11.260 ( 0.505 -7.366 -8.241) 11.065 11.297 ( -1.335 -0.953 -4.389) 4.686 11.406 ( -5.222 -7.280 -2.154) 9.215 11.656 ( -1.930 -35.278 -10.332) 36.810 11.879 ( 0.883 -9.003 5.460) 10.566 12.020 ( -1.057 -20.807 0.555) 20.841 12.116 ( -5.712 -3.016 8.362) 10.566 12.319 ( -7.846 4.003 11.886) 14.794 12.533 ( -0.293 2.572 1.408) 2.947 12.583 ( -0.270 7.714 -0.838) 7.764 12.738 ( 4.170 3.449 5.349) 7.609 12.785 ( 5.465 5.871 7.590) 11.043 13.671 ( -0.078 -2.244 -18.712) 18.846 13.918 ( 1.672 -3.937 -9.822) 10.713 14.123 ( 3.646 3.644 -16.766) 17.540 14.412 ( -2.231 -6.206 -11.304) 13.087 14.881 ( 7.215 5.284 -5.417) 10.456 15.262 ( 0.074 0.175 0.348) 0.396 15.460 ( 7.304 -3.084 3.333) 8.600 15.934 ( -1.836 -2.104 19.253) 19.454 15.993 ( -5.547 5.276 7.450) 10.682 16.201 ( 0.020 1.128 -8.275) 8.351 16.299 ( -1.770 6.438 -1.328) 6.808 16.490 ( -4.743 -1.622 0.579) 5.046 17.602 ( 0.223 -18.270 2.031) 18.384 17.678 ( -1.767 -14.346 3.730) 14.928 18.009 ( 1.336 -6.693 -8.958) 11.262 18.099 ( -0.542 4.800 -15.542) 16.275 18.626 ( 3.903 -3.881 24.354) 24.968 19.462 ( -24.562 -16.550 26.512) 39.751 20.290 ( 10.812 -12.794 -14.324) 22.040 20.697 ( -2.317 -15.212 -1.513) 15.461 22.527 ( -2.842 10.088 2.032) 10.676 22.704 ( 3.401 4.551 -2.297) 6.128 22.762 ( -5.553 19.192 1.173) 20.014 22.836 ( -2.081 17.964 -0.755) 18.100 24.230 ( -1.682 5.580 1.380) 5.989 24.451 ( -1.156 -7.337 -4.512) 8.691 24.815 ( 12.524 -15.347 3.801) 20.170 25.029 ( 4.129 -21.137 -1.793) 21.611 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 9.776 16.190 4.471) 19.434 2.167 ( 4.669 18.949 -0.584) 19.524 2.203 ( -7.539 11.912 1.465) 14.173 2.374 ( -10.603 15.669 -0.029) 18.919 2.659 ( 7.366 8.288 -11.965) 16.313 2.731 ( 1.592 10.973 -4.820) 12.091 2.765 ( -2.865 11.071 -3.048) 11.835 2.832 ( -6.917 7.073 -4.495) 10.866 3.084 ( -0.092 12.089 3.182) 12.501 3.115 ( -3.574 12.392 1.452) 12.978 3.199 ( 2.920 7.899 4.060) 9.349 3.268 ( -3.204 7.568 1.424) 8.341 3.522 ( 10.065 14.475 4.289) 18.145 3.528 ( 6.954 4.626 4.692) 9.580 3.635 ( 0.985 4.714 1.678) 5.099 3.680 ( -5.767 8.400 0.173) 10.190 3.726 ( -1.183 12.822 7.070) 14.690 3.731 ( -1.322 9.595 2.043) 9.898 4.018 ( 2.187 5.746 5.536) 8.274 4.057 ( -1.478 7.696 8.328) 11.436 4.441 ( 2.424 10.295 -6.331) 12.327 4.497 ( -3.624 12.256 -4.112) 13.426 4.851 ( 3.775 1.433 -6.218) 7.413 4.923 ( -3.186 -0.343 -6.181) 6.962 5.970 ( 2.284 -2.819 -0.582) 3.675 5.990 ( 0.857 -1.476 -1.091) 2.026 6.158 ( 0.764 3.480 -0.163) 3.567 6.165 ( 0.656 1.977 -0.323) 2.108 6.591 ( -1.838 15.840 2.490) 16.140 6.607 ( -2.893 11.934 1.816) 12.413 6.921 ( 2.921 29.763 -1.548) 29.946 6.934 ( 1.416 27.131 -1.442) 27.206 7.260 ( 5.283 4.327 1.133) 6.922 7.286 ( 3.394 3.513 0.983) 4.983 7.484 ( 6.283 -2.865 1.527) 7.072 7.695 ( -12.196 3.968 -3.459) 13.284 7.838 ( 8.102 -3.127 -6.695) 10.965 7.960 ( -2.457 4.817 -7.604) 9.331 8.104 ( -0.836 2.711 0.980) 3.001 8.158 ( -5.129 8.070 -0.849) 9.600 8.507 ( 11.449 15.607 3.799) 19.725 8.659 ( 2.609 16.574 -1.302) 16.829 8.790 ( -2.003 3.758 4.902) 6.494 8.860 ( -3.855 4.614 5.024) 7.835 9.205 ( 2.561 11.858 4.573) 12.965 9.334 ( -7.424 14.781 4.230) 17.073 9.523 ( 8.175 14.202 -3.763) 16.814 9.626 ( -0.663 14.180 -1.008) 14.232 9.716 ( 4.440 16.978 1.727) 17.634 9.907 ( -9.773 16.653 -0.154) 19.309 10.260 ( 13.144 8.460 1.808) 15.735 10.521 ( -8.842 7.748 -4.198) 12.484 10.542 ( -0.039 14.047 1.060) 14.087 10.631 ( -6.996 9.537 -2.747) 12.143 10.874 ( 4.953 6.219 4.897) 9.337 11.045 ( -8.299 1.935 -1.389) 8.634 11.177 ( 0.226 -10.710 -2.636) 11.032 11.249 ( -6.145 -6.267 -2.737) 9.194 11.455 ( 8.563 -11.801 -7.754) 16.514 11.600 ( -4.890 -26.350 -10.836) 28.907 11.894 ( 1.383 -5.886 1.661) 6.270 11.959 ( -4.809 -5.243 1.599) 7.292 12.066 ( 1.809 -15.027 8.757) 17.487 12.158 ( -7.108 -4.620 10.175) 13.244 12.523 ( 0.400 0.678 1.611) 1.793 12.552 ( -2.248 4.345 0.726) 4.946 12.841 ( 4.884 0.835 7.676) 9.136 12.878 ( 1.818 3.981 7.474) 8.661 13.732 ( 6.203 3.576 -14.233) 15.932 13.872 ( -6.073 2.512 -15.227) 16.585 14.226 ( 6.081 -1.499 -15.199) 16.439 14.339 ( -4.943 -4.194 -15.141) 16.471 15.048 ( 8.538 1.820 0.532) 8.746 15.195 ( -5.909 -0.314 5.105) 7.815 15.715 ( 16.423 -1.064 -4.887) 17.167 15.898 ( -1.130 1.570 16.100) 16.216 15.910 ( -2.417 4.766 13.272) 14.308 16.040 ( -14.302 -2.245 -10.290) 17.761 16.329 ( 3.231 5.971 0.743) 6.830 16.400 ( -3.952 4.418 1.215) 6.051 17.612 ( 0.914 -16.876 2.875) 17.144 17.640 ( -1.822 -15.152 3.415) 15.639 18.043 ( 1.965 -2.831 -11.893) 12.382 18.079 ( -1.502 1.505 -14.365) 14.522 18.755 ( 9.559 -7.715 27.623) 30.231 19.025 ( -18.073 -11.888 29.576) 36.643 20.471 ( 7.994 -13.816 -14.078) 21.283 20.613 ( -6.052 -14.909 -8.580) 18.235 22.523 ( 2.584 16.289 3.039) 16.770 22.623 ( -6.971 18.967 2.518) 20.363 22.757 ( 2.211 10.833 -2.910) 11.433 22.798 ( -1.969 15.881 -1.809) 16.104 24.273 ( 4.831 -0.565 1.833) 5.197 24.379 ( -5.099 -6.242 -0.602) 8.082 25.028 ( 7.333 -19.997 -0.181) 21.300 25.090 ( 0.789 -21.384 -1.337) 21.441 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 0.000 22.609 2.810) 22.783 2.412 ( 0.000 20.413 -2.857) 20.612 2.658 ( 0.000 13.130 -10.391) 16.744 2.665 ( 0.000 9.229 -7.988) 12.205 2.940 ( 0.000 8.650 0.070) 8.650 2.955 ( 0.000 6.850 2.380) 7.252 3.041 ( 0.000 1.858 3.254) 3.747 3.122 ( 0.000 4.987 9.182) 10.448 3.156 ( 0.000 5.390 3.577) 6.469 3.285 ( 0.000 7.832 2.393) 8.189 3.356 ( 0.000 4.245 -4.075) 5.884 3.407 ( 0.000 1.143 -4.578) 4.718 3.471 ( 0.000 5.839 0.597) 5.869 3.569 ( 0.000 -0.691 -2.557) 2.649 3.696 ( 0.000 6.574 7.195) 9.746 3.792 ( 0.000 27.722 12.565) 30.437 3.918 ( 0.000 6.205 2.083) 6.545 4.057 ( 0.000 3.101 1.570) 3.476 4.064 ( 0.000 10.387 -0.604) 10.405 4.311 ( 0.000 11.870 10.104) 15.588 4.573 ( 0.000 11.075 -6.198) 12.691 4.842 ( 0.000 12.106 -6.015) 13.518 4.843 ( 0.000 2.738 -8.126) 8.575 4.966 ( 0.000 1.089 -3.340) 3.513 5.860 ( 0.000 -2.162 2.642) 3.414 5.986 ( 0.000 1.809 0.076) 1.811 6.108 ( 0.000 1.560 -0.286) 1.586 6.211 ( 0.000 2.201 -4.769) 5.252 6.841 ( 0.000 3.640 0.931) 3.757 6.963 ( 0.000 6.957 -0.300) 6.964 6.989 ( 0.000 7.632 -0.983) 7.695 7.034 ( 0.000 7.931 -6.103) 10.007 7.267 ( 0.000 -2.257 2.244) 3.182 7.354 ( 0.000 13.318 5.906) 14.568 7.582 ( 0.000 2.004 2.003) 2.833 7.589 ( 0.000 10.148 2.789) 10.525 8.078 ( 0.000 -3.811 15.264) 15.733 8.145 ( 0.000 11.857 -3.267) 12.299 8.215 ( 0.000 6.306 -11.412) 13.038 8.422 ( 0.000 12.844 -7.637) 14.943 8.563 ( 0.000 9.163 -4.804) 10.345 8.667 ( 0.000 15.251 -0.140) 15.252 8.963 ( 0.000 18.326 7.782) 19.909 9.028 ( 0.000 5.449 3.858) 6.676 9.403 ( 0.000 8.142 1.515) 8.282 9.672 ( 0.000 9.147 -7.654) 11.927 9.731 ( 0.000 7.268 8.117) 10.895 9.984 ( 0.000 8.863 4.524) 9.951 9.991 ( 0.000 8.595 0.292) 8.600 10.316 ( 0.000 9.819 12.314) 15.749 10.316 ( 0.000 28.458 -2.545) 28.571 10.614 ( 0.000 -13.260 -2.380) 13.472 10.714 ( 0.000 -16.042 -3.526) 16.425 10.820 ( 0.000 -35.662 -8.371) 36.632 10.849 ( 0.000 -3.827 -2.143) 4.386 11.024 ( 0.000 6.810 -10.825) 12.789 11.124 ( 0.000 3.729 -0.960) 3.850 11.212 ( 0.000 13.351 -0.823) 13.376 11.325 ( 0.000 3.424 -9.278) 9.890 11.438 ( 0.000 4.502 6.928) 8.262 11.810 ( 0.000 3.634 13.843) 14.312 11.884 ( 0.000 4.628 -5.893) 7.493 12.213 ( 0.000 2.751 -1.353) 3.066 12.499 ( 0.000 0.553 8.019) 8.038 12.644 ( 0.000 6.233 2.537) 6.730 12.758 ( 0.000 13.308 16.821) 21.449 12.792 ( 0.000 3.428 -1.340) 3.681 13.013 ( 0.000 17.295 2.442) 17.466 13.521 ( 0.000 -8.688 -20.886) 22.621 13.837 ( 0.000 -1.691 2.956) 3.406 14.075 ( 0.000 -5.725 -4.221) 7.113 14.274 ( 0.000 -5.501 -5.468) 7.756 15.001 ( 0.000 9.925 -11.942) 15.528 15.234 ( 0.000 -2.349 -6.199) 6.629 15.283 ( 0.000 -5.839 9.879) 11.476 15.869 ( 0.000 -3.347 4.501) 5.609 16.109 ( 0.000 3.565 0.361) 3.584 16.192 ( 0.000 -5.429 -12.634) 13.751 16.350 ( 0.000 -1.492 -7.193) 7.346 16.471 ( 0.000 -3.044 -10.188) 10.633 17.429 ( 0.000 0.096 11.172) 11.173 17.541 ( 0.000 -1.805 10.663) 10.815 17.697 ( 0.000 -15.155 12.351) 19.551 18.258 ( 0.000 5.189 -19.374) 20.057 18.711 ( 0.000 10.749 8.951) 13.988 19.374 ( 0.000 -18.421 32.534) 37.387 19.919 ( 0.000 -9.219 -20.164) 22.172 20.388 ( 0.000 -17.192 -0.303) 17.195 22.504 ( 0.000 -6.108 1.313) 6.248 22.673 ( 0.000 -3.412 -3.109) 4.616 23.060 ( 0.000 1.595 1.026) 1.897 23.112 ( 0.000 7.401 -0.433) 7.414 24.361 ( 0.000 -2.018 0.275) 2.037 24.432 ( 0.000 2.971 -1.274) 3.232 24.459 ( 0.000 -4.440 2.481) 5.086 24.599 ( 0.000 -15.626 -1.269) 15.678 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -1.219 20.932 2.257) 21.088 2.456 ( 3.658 19.123 -1.429) 19.522 2.570 ( -7.539 7.928 -3.167) 11.390 2.711 ( 2.327 10.843 -9.811) 14.807 2.817 ( -6.942 7.793 2.629) 10.763 2.944 ( -0.097 9.933 -0.946) 9.978 2.998 ( -1.225 8.050 -0.931) 8.195 3.105 ( -4.293 7.630 1.400) 8.866 3.253 ( 4.182 5.286 6.333) 9.249 3.281 ( 1.119 6.524 2.535) 7.088 3.360 ( -1.683 3.316 -0.921) 3.831 3.431 ( 1.628 -0.419 -3.682) 4.047 3.472 ( 1.846 7.958 -1.616) 8.327 3.585 ( 2.430 3.001 -3.231) 5.034 3.795 ( 8.332 8.567 8.137) 14.458 3.825 ( 2.738 16.637 10.268) 19.742 3.907 ( -0.618 6.205 6.110) 8.730 3.991 ( -4.946 8.436 0.800) 9.812 4.065 ( -0.703 5.901 1.701) 6.181 4.306 ( -1.420 12.089 9.578) 15.489 4.582 ( 1.510 8.912 -6.699) 11.251 4.815 ( -2.160 10.760 -5.291) 12.183 4.876 ( 2.331 5.613 -8.230) 10.231 4.967 ( -0.015 2.523 -4.412) 5.083 5.869 ( 0.965 -2.434 2.458) 3.591 5.977 ( -0.850 0.250 0.156) 0.900 6.143 ( 2.503 1.090 -1.295) 3.022 6.201 ( -0.705 1.613 -4.078) 4.442 6.863 ( -3.616 7.166 0.361) 8.034 6.893 ( -0.889 6.880 2.049) 7.234 7.027 ( 5.505 2.697 0.743) 6.175 7.113 ( 4.163 5.740 1.269) 7.204 7.254 ( 6.134 6.468 -5.486) 10.467 7.450 ( 1.336 12.734 -1.907) 12.945 7.547 ( 0.003 4.585 6.386) 7.861 7.639 ( 4.600 4.084 2.306) 6.570 8.000 ( -4.125 -5.618 8.966) 11.356 8.111 ( -10.203 6.948 -7.261) 14.321 8.285 ( 6.475 16.273 -5.549) 18.372 8.414 ( 1.413 12.157 -0.712) 12.259 8.602 ( 3.426 11.423 -2.033) 12.098 8.727 ( 6.002 12.436 1.137) 13.856 8.985 ( -4.170 5.015 6.547) 9.242 9.053 ( 8.637 18.409 3.265) 20.595 9.511 ( 7.835 6.996 -1.646) 10.632 9.592 ( -3.720 12.399 -2.746) 13.233 9.805 ( -1.755 12.236 6.060) 13.766 9.867 ( 1.039 8.968 -0.135) 9.029 10.052 ( 1.977 2.177 0.094) 2.942 10.132 ( -10.106 19.690 2.875) 22.317 10.431 ( 0.921 12.777 6.800) 14.503 10.599 ( -0.722 -15.364 -3.142) 15.699 10.735 ( 0.584 -18.510 -4.783) 19.127 10.773 ( -2.147 -17.536 -4.296) 18.181 10.909 ( 4.835 -9.473 -3.424) 11.173 10.971 ( -4.955 6.525 -10.236) 13.111 11.073 ( -8.679 1.245 -2.828) 9.213 11.145 ( -3.177 -0.015 -2.311) 3.928 11.226 ( -2.885 12.749 0.862) 13.100 11.458 ( -3.271 8.584 1.404) 9.293 11.812 ( 1.154 1.775 10.805) 11.010 11.912 ( 3.235 5.511 -3.682) 7.375 12.138 ( -6.838 3.753 -2.079) 8.073 12.421 ( -6.590 3.614 5.372) 9.238 12.640 ( -4.979 8.673 13.304) 16.644 12.731 ( 6.393 5.025 4.141) 9.125 12.877 ( -5.350 6.980 1.581) 8.935 12.910 ( 0.203 9.333 2.632) 9.699 13.620 ( 7.635 -3.006 -15.982) 17.965 13.831 ( 0.595 -3.340 -0.525) 3.433 14.145 ( 4.769 -3.605 -6.079) 8.526 14.271 ( -0.437 -5.270 -6.139) 8.103 15.028 ( 2.709 7.929 -8.363) 11.838 15.224 ( -1.639 -2.933 5.643) 6.567 15.387 ( 10.395 -4.642 -1.630) 11.500 15.880 ( 1.262 -1.660 3.206) 3.824 16.074 ( -3.508 3.441 0.253) 4.920 16.141 ( -5.613 -6.601 -10.517) 13.626 16.348 ( 0.397 0.006 -8.606) 8.616 16.456 ( -1.406 -2.513 -10.246) 10.643 17.436 ( 0.741 0.132 11.288) 11.313 17.525 ( -1.429 -1.790 10.690) 10.933 17.744 ( 4.585 -14.022 10.305) 17.995 18.208 ( -5.171 2.260 -16.984) 17.897 18.724 ( 1.376 10.080 10.399) 14.548 19.171 ( -15.305 -10.227 29.465) 34.742 20.032 ( 7.932 -12.799 -16.763) 22.533 20.369 ( -2.225 -17.109 -2.863) 17.489 22.547 ( 4.100 -4.563 1.558) 6.329 22.717 ( 4.126 -2.981 -3.108) 5.964 22.992 ( -6.153 2.172 1.826) 6.776 23.078 ( -3.454 5.657 -0.702) 6.666 24.331 ( -2.268 2.226 0.248) 3.188 24.346 ( -2.823 -1.761 0.582) 3.378 24.596 ( 7.464 -6.544 0.288) 9.931 24.657 ( 4.492 -15.021 -0.919) 15.705 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 2.712 16.062 3.000) 16.564 2.398 ( -8.085 9.896 2.494) 13.020 2.544 ( 5.124 16.080 -0.631) 16.889 2.654 ( -5.745 12.253 -0.346) 13.537 2.835 ( 5.402 8.644 -8.917) 13.543 2.931 ( -2.630 7.742 -5.589) 9.904 2.980 ( 0.038 9.906 -1.029) 9.960 3.016 ( -3.643 11.751 -1.647) 12.413 3.277 ( 0.820 6.384 1.610) 6.635 3.301 ( -1.365 5.516 2.432) 6.181 3.345 ( 1.895 7.724 0.511) 7.970 3.397 ( -3.065 5.174 -4.156) 7.309 3.583 ( 6.958 3.369 3.224) 8.376 3.659 ( 2.045 1.216 1.270) 2.697 3.803 ( -1.680 7.428 4.799) 9.002 3.856 ( -4.851 7.689 0.096) 9.091 3.955 ( 2.343 12.146 8.037) 14.751 3.978 ( 3.261 11.853 5.693) 13.547 4.075 ( 5.211 1.597 7.565) 9.324 4.226 ( -6.699 7.474 8.235) 12.983 4.646 ( 4.675 10.031 -5.664) 12.432 4.746 ( -4.728 11.929 -4.673) 13.656 4.926 ( 2.337 5.726 -7.877) 10.014 4.959 ( -0.949 4.877 -6.401) 8.103 5.902 ( 2.289 -2.851 1.827) 4.087 5.948 ( -2.061 -2.071 0.793) 3.027 6.178 ( 1.013 -0.132 -2.656) 2.846 6.191 ( -0.409 0.347 -3.035) 3.083 6.798 ( -1.628 7.468 2.975) 8.202 6.818 ( -3.672 7.924 3.807) 9.527 7.214 ( 7.405 3.234 -2.745) 8.534 7.290 ( 14.146 2.313 1.375) 14.400 7.339 ( -3.873 8.612 -3.719) 10.149 7.420 ( 2.227 9.141 -2.635) 9.771 7.619 ( 3.984 13.738 3.648) 14.762 7.738 ( 3.394 -2.149 1.338) 4.234 7.845 ( -12.188 9.448 -0.991) 15.453 7.904 ( -6.048 -5.808 5.069) 9.799 8.357 ( 2.904 17.267 -8.293) 19.374 8.416 ( -2.361 15.861 -3.084) 16.329 8.729 ( 7.371 6.385 7.080) 12.051 8.866 ( -5.370 3.190 7.687) 9.905 8.934 ( 12.748 15.639 1.944) 20.270 9.166 ( -4.490 18.235 0.185) 18.781 9.499 ( 5.247 16.660 0.713) 17.481 9.665 ( -5.135 14.605 -1.864) 15.593 9.775 ( 3.784 10.662 -2.922) 11.685 9.915 ( -9.518 15.099 -0.460) 17.855 9.947 ( 9.504 4.813 5.373) 11.932 10.189 ( 0.536 9.685 2.398) 9.992 10.328 ( 0.567 -0.825 -0.512) 1.124 10.562 ( -8.044 -9.914 -4.749) 13.622 10.704 ( -2.089 -11.907 -6.404) 13.680 10.729 ( -2.450 -15.107 -4.061) 15.834 10.881 ( -1.062 -10.521 -7.840) 13.164 10.916 ( -4.075 -13.801 -5.734) 15.491 11.053 ( 9.034 3.749 0.962) 9.828 11.145 ( 0.983 5.846 0.165) 5.930 11.185 ( -1.181 11.754 3.831) 12.419 11.301 ( -10.540 11.679 3.774) 16.178 11.865 ( 4.209 2.203 2.025) 5.165 11.984 ( -7.536 3.888 -2.080) 8.731 12.034 ( 8.928 7.059 2.173) 11.587 12.241 ( -10.926 7.268 4.670) 13.928 12.610 ( 1.979 7.211 9.127) 11.799 12.703 ( -6.948 8.791 3.515) 11.744 12.866 ( 5.224 1.761 5.407) 7.722 12.933 ( -1.155 2.403 4.092) 4.884 13.768 ( 6.490 -0.510 -11.002) 12.784 13.844 ( -0.794 -3.384 -7.206) 8.001 14.216 ( 2.367 -1.559 -8.237) 8.711 14.252 ( -1.440 -3.552 -7.713) 8.613 15.099 ( 4.030 3.052 -0.134) 5.056 15.174 ( -3.276 -1.071 5.896) 6.829 15.651 ( 14.934 -5.225 -3.801) 16.272 15.924 ( -0.002 0.165 0.603) 0.625 15.933 ( -8.629 -3.883 -4.016) 10.280 16.013 ( -5.274 2.904 -3.738) 7.087 16.375 ( 2.066 -0.255 -9.901) 10.117 16.419 ( -2.214 -1.460 -10.177) 10.517 17.459 ( 1.474 -0.073 11.173) 11.270 17.492 ( -1.767 -0.920 10.805) 10.987 17.873 ( 8.291 -11.177 4.008) 14.482 18.057 ( -9.431 -5.177 -7.279) 12.989 18.774 ( 4.069 7.495 15.238) 17.462 18.907 ( -9.955 0.882 23.570) 25.602 20.178 ( 6.686 -14.989 -13.717) 21.389 20.296 ( -5.013 -16.332 -8.617) 19.134 22.658 ( 6.866 -1.392 1.656) 7.198 22.785 ( -2.204 -1.193 -1.880) 3.133 22.883 ( 0.359 1.636 1.858) 2.502 22.982 ( -5.848 2.577 -0.970) 6.464 24.303 ( -0.348 2.522 0.575) 2.610 24.311 ( -1.032 -0.945 0.458) 1.472 24.712 ( 3.594 -11.543 -0.237) 12.092 24.728 ( 1.848 -14.130 -0.558) 14.261 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 0.000 15.753 0.217) 15.755 2.737 ( 0.000 7.754 -2.016) 8.012 2.801 ( 0.000 8.896 -2.737) 9.308 2.858 ( 0.000 6.640 -6.055) 8.987 3.016 ( 0.000 2.507 6.407) 6.880 3.108 ( 0.000 7.219 -1.717) 7.420 3.158 ( 0.000 6.235 -2.174) 6.603 3.172 ( 0.000 0.742 8.031) 8.065 3.232 ( 0.000 3.220 1.241) 3.451 3.405 ( 0.000 0.116 -5.121) 5.122 3.427 ( 0.000 3.140 -2.140) 3.800 3.443 ( 0.000 6.951 2.669) 7.446 3.558 ( 0.000 2.932 0.597) 2.992 3.605 ( 0.000 2.017 0.101) 2.019 3.767 ( 0.000 1.493 9.652) 9.767 3.971 ( 0.000 -0.477 1.663) 1.730 4.138 ( 0.000 5.486 1.593) 5.712 4.251 ( 0.000 7.789 -0.732) 7.824 4.277 ( 0.000 20.245 8.676) 22.026 4.526 ( 0.000 9.366 5.473) 10.848 4.771 ( 0.000 8.092 -4.076) 9.061 4.860 ( 0.000 0.183 -6.638) 6.640 5.042 ( 0.000 5.119 -3.253) 6.065 5.059 ( 0.000 8.649 -6.891) 11.058 5.872 ( 0.000 3.729 3.618) 5.196 6.005 ( 0.000 0.681 0.974) 1.188 6.142 ( 0.000 1.240 -2.296) 2.610 6.242 ( 0.000 0.704 -6.184) 6.224 6.910 ( 0.000 3.966 0.108) 3.968 7.095 ( 0.000 6.662 -0.657) 6.694 7.134 ( 0.000 6.869 -1.483) 7.027 7.149 ( 0.000 4.185 -5.750) 7.112 7.195 ( 0.000 -0.766 8.348) 8.383 7.580 ( 0.000 9.904 5.367) 11.265 7.660 ( 0.000 4.410 13.058) 13.782 7.763 ( 0.000 5.928 -0.718) 5.971 8.079 ( 0.000 4.453 10.994) 11.862 8.259 ( 0.000 -0.981 -9.264) 9.316 8.374 ( 0.000 10.942 5.458) 12.227 8.666 ( 0.000 8.385 -14.506) 16.755 8.802 ( 0.000 12.961 -2.541) 13.208 8.948 ( 0.000 11.917 -5.623) 13.177 9.145 ( 0.000 7.336 7.905) 10.784 9.309 ( 0.000 12.091 -3.741) 12.656 9.553 ( 0.000 9.014 5.045) 10.330 9.680 ( 0.000 -13.924 -11.027) 17.762 9.785 ( 0.000 -0.191 8.681) 8.683 9.915 ( 0.000 -22.243 -1.503) 22.294 10.079 ( 0.000 -15.707 -3.662) 16.128 10.093 ( 0.000 0.838 -8.931) 8.970 10.223 ( 0.000 -14.845 -10.307) 18.072 10.293 ( 0.000 -5.154 -1.005) 5.251 10.713 ( 0.000 11.030 13.830) 17.690 10.786 ( 0.000 1.262 6.404) 6.527 10.889 ( 0.000 3.872 -6.824) 7.846 11.125 ( 0.000 18.136 2.074) 18.255 11.284 ( 0.000 -0.238 4.200) 4.206 11.358 ( 0.000 13.193 2.639) 13.454 11.567 ( 0.000 9.737 -3.152) 10.235 11.686 ( 0.000 6.927 8.691) 11.114 11.961 ( 0.000 10.899 6.692) 12.789 12.085 ( 0.000 19.489 -14.188) 24.106 12.291 ( 0.000 5.872 -3.782) 6.985 12.576 ( 0.000 8.227 5.606) 9.955 12.656 ( 0.000 -6.409 -4.490) 7.826 12.842 ( 0.000 3.373 2.599) 4.258 13.047 ( 0.000 12.912 12.757) 18.151 13.347 ( 0.000 -8.931 -5.640) 10.563 13.347 ( 0.000 15.012 4.186) 15.585 13.808 ( 0.000 -1.283 2.894) 3.166 13.901 ( 0.000 -9.224 3.213) 9.767 14.196 ( 0.000 -4.374 -4.385) 6.193 15.135 ( 0.000 1.187 4.388) 4.546 15.160 ( 0.000 -4.116 -1.761) 4.477 15.213 ( 0.000 0.798 6.650) 6.698 15.889 ( 0.000 6.060 -19.908) 20.810 15.996 ( 0.000 -12.159 -3.408) 12.628 16.205 ( 0.000 5.897 -11.445) 12.875 16.341 ( 0.000 0.454 -20.995) 21.000 16.422 ( 0.000 -1.453 -21.268) 21.317 17.483 ( 0.000 -5.608 24.025) 24.671 17.497 ( 0.000 4.405 17.421) 17.969 17.575 ( 0.000 3.893 15.298) 15.785 18.232 ( 0.000 -7.983 -5.399) 9.637 18.949 ( 0.000 12.305 2.360) 12.529 19.175 ( 0.000 -1.141 19.865) 19.898 19.729 ( 0.000 -9.367 -17.004) 19.413 20.047 ( 0.000 -16.614 -1.944) 16.727 22.390 ( 0.000 -4.937 1.163) 5.072 22.550 ( 0.000 -7.537 -3.359) 8.252 22.970 ( 0.000 -8.553 2.555) 8.927 23.099 ( 0.000 -7.420 -1.116) 7.504 24.297 ( 0.000 -2.576 1.159) 2.824 24.374 ( 0.000 -6.751 -0.720) 6.789 24.454 ( 0.000 0.804 0.162) 0.820 24.463 ( 0.000 0.063 -0.136) 0.150 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -3.906 11.365 -0.056) 12.018 2.689 ( -5.375 8.736 1.500) 10.366 2.787 ( 1.337 13.658 -1.163) 13.772 2.885 ( 0.637 6.267 -6.266) 8.885 2.973 ( -1.545 7.144 0.724) 7.345 3.108 ( -2.860 3.970 -2.068) 5.312 3.141 ( 1.205 7.410 0.956) 7.568 3.226 ( 0.836 4.703 1.041) 4.889 3.289 ( 6.082 -1.176 4.764) 7.814 3.396 ( -1.840 4.320 -0.910) 4.783 3.404 ( 0.111 0.825 -2.646) 2.774 3.468 ( 1.103 5.256 0.830) 5.434 3.598 ( 4.104 3.144 -0.900) 5.248 3.620 ( 1.490 1.699 -0.135) 2.264 3.819 ( 4.085 -1.533 8.564) 9.611 3.954 ( -1.577 -0.008 2.465) 2.926 4.094 ( -2.770 8.043 1.774) 8.689 4.216 ( -3.082 9.544 2.415) 10.316 4.254 ( -1.639 12.957 7.553) 15.087 4.519 ( -4.655 8.317 7.061) 11.862 4.739 ( 2.555 7.484 -6.402) 10.175 4.941 ( 4.585 5.023 -6.069) 9.115 5.037 ( -0.479 7.131 -3.653) 8.027 5.075 ( 1.365 6.967 -6.767) 9.808 5.872 ( 0.106 3.091 3.212) 4.459 5.979 ( -2.263 0.386 1.084) 2.539 6.153 ( 0.419 -0.491 -3.445) 3.505 6.221 ( -1.894 0.132 -5.469) 5.789 6.977 ( 2.841 4.609 -0.869) 5.484 7.010 ( -1.956 5.646 2.600) 6.516 7.083 ( -2.510 4.435 5.376) 7.407 7.198 ( 4.989 4.011 0.079) 6.402 7.379 ( 12.764 5.030 -5.714) 14.862 7.571 ( 1.387 4.612 9.711) 10.840 7.661 ( -4.916 6.497 -6.198) 10.236 7.791 ( 5.639 4.263 11.504) 13.502 7.953 ( -7.556 4.801 10.737) 13.980 8.216 ( -5.265 3.249 -3.522) 7.119 8.580 ( 11.815 12.559 -1.175) 17.283 8.682 ( 2.666 10.818 -8.110) 13.781 8.809 ( 0.756 8.679 -3.838) 9.520 8.967 ( 2.261 9.768 -3.459) 10.606 9.099 ( -2.943 8.049 7.678) 11.507 9.391 ( 5.901 11.585 -4.217) 13.669 9.630 ( 7.969 6.368 1.224) 10.275 9.690 ( 2.398 -8.380 -8.676) 12.299 9.881 ( -1.535 -12.037 -0.966) 12.173 9.916 ( 10.790 -3.981 4.795) 12.460 10.004 ( -4.537 -9.395 -6.827) 12.468 10.080 ( -1.925 -11.328 -4.909) 12.495 10.246 ( -1.093 -5.330 -2.452) 5.968 10.292 ( 1.854 -11.665 -5.436) 13.002 10.576 ( -11.428 11.001 3.795) 16.310 10.681 ( -8.877 0.181 7.867) 11.863 10.840 ( -7.804 -3.538 0.102) 8.569 11.141 ( -5.134 7.658 -5.656) 10.816 11.218 ( 0.580 12.271 2.411) 12.519 11.378 ( 0.671 13.866 4.315) 14.537 11.509 ( -3.078 9.582 8.120) 12.931 11.693 ( -1.826 7.818 7.470) 10.966 11.968 ( 1.721 13.695 3.838) 14.326 12.066 ( 0.203 11.505 -12.656) 17.105 12.268 ( -4.255 10.020 -8.637) 13.896 12.485 ( -4.060 2.903 1.017) 5.093 12.774 ( 6.859 0.134 1.823) 7.098 12.794 ( -3.579 5.340 9.502) 11.472 13.016 ( -5.079 8.605 6.011) 11.661 13.099 ( -8.710 5.463 3.500) 10.861 13.588 ( 10.230 1.591 -2.019) 10.548 13.788 ( 0.021 -1.641 1.186) 2.025 14.002 ( 7.013 -7.841 2.464) 10.804 14.201 ( 0.253 -4.243 -4.214) 5.985 15.138 ( 0.313 0.976 5.275) 5.373 15.191 ( -0.436 1.651 5.047) 5.328 15.278 ( 9.409 -5.571 -0.025) 10.934 15.921 ( 3.096 6.285 -19.650) 20.862 15.937 ( -5.886 -11.514 -3.127) 13.304 16.179 ( -2.631 5.844 -12.782) 14.299 16.348 ( 0.732 0.456 -20.970) 20.988 16.415 ( -0.646 -1.048 -20.962) 20.998 17.503 ( 0.591 4.342 17.230) 17.779 17.513 ( 2.367 -3.339 20.866) 21.264 17.584 ( 1.611 1.343 17.041) 17.170 18.136 ( -9.191 -8.574 -0.354) 12.575 18.954 ( 0.547 12.109 2.962) 12.478 19.109 ( -5.026 3.526 15.549) 16.718 19.788 ( 4.813 -11.367 -14.926) 19.369 20.030 ( -1.760 -16.383 -3.749) 16.898 22.438 ( 4.701 -5.290 1.309) 7.198 22.600 ( 4.665 -7.554 -3.422) 9.516 22.911 ( -5.528 -8.089 2.922) 10.224 23.046 ( -5.029 -7.616 -1.117) 9.194 24.292 ( 0.203 -1.436 1.102) 1.822 24.381 ( -1.301 -0.557 -1.471) 2.041 24.454 ( 3.131 -4.824 1.340) 5.905 24.515 ( 2.614 -2.652 -0.526) 3.760 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -1.401 10.450 1.862) 10.707 2.599 ( -3.015 12.857 2.201) 13.388 2.822 ( 2.033 11.920 -1.007) 12.134 2.865 ( -2.080 8.851 -2.176) 9.349 2.984 ( 2.234 6.020 -4.417) 7.794 3.043 ( -3.383 3.826 -3.793) 6.362 3.175 ( 2.187 8.361 0.201) 8.645 3.217 ( -1.659 7.693 -0.384) 7.879 3.356 ( 0.732 0.623 0.516) 1.090 3.368 ( -0.835 3.211 0.054) 3.318 3.437 ( 2.751 -0.303 1.167) 3.004 3.474 ( -0.743 3.454 0.987) 3.669 3.669 ( 3.247 2.741 0.979) 4.361 3.690 ( 3.165 3.754 -0.372) 4.924 3.847 ( -0.035 -2.537 1.260) 2.833 3.909 ( -4.171 -1.500 0.894) 4.522 4.131 ( 7.980 7.672 6.849) 13.017 4.183 ( 0.250 8.460 5.867) 10.298 4.213 ( -2.094 9.359 6.964) 11.852 4.343 ( -11.052 4.884 7.098) 14.013 4.855 ( 6.784 10.731 -4.740) 13.552 4.962 ( -3.267 9.571 -4.696) 11.150 5.057 ( 2.698 6.713 -6.140) 9.489 5.091 ( -0.308 6.727 -7.110) 9.793 5.884 ( 1.375 1.420 2.352) 3.072 5.927 ( -2.706 0.209 1.416) 3.061 6.158 ( 0.513 -1.929 -4.018) 4.486 6.181 ( -1.778 -1.295 -4.309) 4.838 6.933 ( -1.350 6.665 4.193) 7.989 6.954 ( -3.402 6.417 5.283) 8.981 7.219 ( 9.226 -0.135 -3.153) 9.750 7.312 ( 2.395 0.013 -0.461) 2.439 7.536 ( 2.842 8.894 -2.630) 9.700 7.595 ( 2.304 9.948 -1.424) 10.310 7.686 ( 5.300 2.194 5.458) 7.918 7.793 ( -5.512 -1.625 12.182) 13.469 7.907 ( 3.905 8.980 4.911) 10.954 8.055 ( -9.441 8.646 -0.288) 12.805 8.663 ( 2.378 10.400 -10.456) 14.938 8.729 ( -2.877 12.724 -6.780) 14.702 8.865 ( 4.411 7.346 7.063) 11.104 8.947 ( -4.065 7.058 7.336) 10.962 9.212 ( 13.186 9.151 -4.305) 16.618 9.418 ( -5.053 4.887 -5.603) 8.990 9.800 ( 7.099 -2.864 -5.673) 9.528 9.809 ( 2.683 4.013 -5.339) 7.198 9.897 ( 3.214 -7.423 -4.604) 9.307 9.936 ( 5.675 3.685 0.622) 6.795 10.074 ( 1.032 -16.608 -1.002) 16.670 10.092 ( 0.688 -4.297 1.388) 4.567 10.238 ( -8.861 4.135 3.531) 10.397 10.303 ( 5.404 0.925 0.568) 5.512 10.377 ( -4.243 -4.380 -0.988) 6.178 10.491 ( -5.747 -5.278 -1.525) 7.950 10.672 ( -3.167 -9.450 -5.072) 11.183 10.876 ( -17.909 2.556 -8.490) 19.983 11.294 ( 4.948 8.876 5.393) 11.505 11.383 ( -2.793 4.561 11.933) 13.076 11.505 ( 3.910 19.381 9.074) 21.754 11.609 ( -5.503 15.322 7.755) 18.032 12.026 ( 4.021 13.888 -3.280) 14.826 12.128 ( -3.367 8.660 -5.711) 10.906 12.175 ( 5.490 7.900 -10.664) 14.362 12.366 ( -9.244 5.094 -4.720) 11.562 12.766 ( 1.749 6.912 12.729) 14.590 12.844 ( -4.442 4.948 6.836) 9.536 12.922 ( 3.383 4.396 5.110) 7.542 13.006 ( -3.850 4.990 4.618) 7.813 13.742 ( 5.134 -0.504 -2.610) 5.781 13.794 ( -0.447 -1.427 -1.608) 2.196 14.127 ( 5.018 -5.953 -0.158) 7.787 14.192 ( -1.584 -4.489 -2.936) 5.593 15.149 ( 0.865 1.168 6.554) 6.713 15.171 ( -1.243 1.545 6.907) 7.186 15.517 ( 13.296 -7.616 -1.638) 15.410 15.766 ( -11.057 -9.817 -2.364) 14.974 16.005 ( 5.006 6.498 -18.502) 20.239 16.105 ( -4.656 6.114 -15.750) 17.525 16.369 ( 1.324 0.212 -20.797) 20.840 16.396 ( -1.247 -0.325 -20.697) 20.737 17.518 ( 0.837 4.126 16.314) 16.848 17.531 ( -0.357 3.246 16.001) 16.330 17.689 ( 8.852 -6.060 17.958) 20.918 17.908 ( -12.430 -8.105 10.041) 17.917 18.974 ( 1.581 11.315 4.945) 12.449 19.022 ( -3.403 8.987 9.059) 13.207 19.888 ( 4.915 -13.707 -11.747) 18.709 19.975 ( -3.729 -15.384 -7.782) 17.638 22.565 ( 7.575 -6.000 1.145) 9.731 22.685 ( -0.315 -7.011 -2.839) 7.570 22.807 ( -0.516 -7.774 2.886) 8.309 22.917 ( -7.403 -7.904 -0.833) 10.862 24.311 ( 1.537 0.370 0.616) 1.697 24.346 ( -1.878 1.413 -0.242) 2.362 24.523 ( 2.765 -7.091 0.324) 7.617 24.547 ( 0.333 -5.752 -0.283) 5.769 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 0.000 -0.232 0.385) 0.450 2.823 ( 0.000 -1.459 -3.131) 3.454 3.022 ( 0.000 8.799 2.225) 9.076 3.028 ( 0.000 9.845 -1.186) 9.916 3.078 ( 0.000 3.196 3.124) 4.469 3.173 ( 0.000 1.218 1.561) 1.980 3.214 ( 0.000 1.309 -2.698) 2.999 3.215 ( 0.000 0.466 -2.270) 2.317 3.328 ( 0.000 5.600 1.941) 5.926 3.419 ( 0.000 1.986 -2.828) 3.456 3.503 ( 0.000 3.526 0.632) 3.582 3.536 ( 0.000 1.933 1.458) 2.422 3.579 ( 0.000 -3.819 3.447) 5.145 3.590 ( 0.000 0.280 1.248) 1.279 3.810 ( 0.000 2.706 4.561) 5.303 3.923 ( 0.000 -3.514 0.707) 3.584 4.258 ( 0.000 5.854 2.115) 6.224 4.353 ( 0.000 2.401 0.480) 2.449 4.604 ( 0.000 12.136 6.555) 13.793 4.682 ( 0.000 6.060 3.932) 7.223 4.868 ( 0.000 0.441 -6.300) 6.315 4.879 ( 0.000 2.494 -4.772) 5.384 5.139 ( 0.000 4.181 -3.242) 5.291 5.176 ( 0.000 3.223 -4.773) 5.760 5.993 ( 0.000 7.444 1.108) 7.526 6.027 ( 0.000 1.686 0.856) 1.891 6.134 ( 0.000 -2.138 -2.058) 2.968 6.227 ( 0.000 -2.520 -4.805) 5.426 7.015 ( 0.000 6.386 0.330) 6.394 7.179 ( 0.000 0.362 -2.877) 2.899 7.242 ( 0.000 5.451 -0.079) 5.452 7.259 ( 0.000 5.507 0.279) 5.514 7.298 ( 0.000 10.423 8.161) 13.238 7.752 ( 0.000 4.594 -0.645) 4.639 7.783 ( 0.000 8.295 13.307) 15.680 7.801 ( 0.000 -0.449 1.357) 1.429 8.189 ( 0.000 0.441 -2.438) 2.478 8.239 ( 0.000 5.246 1.042) 5.348 8.530 ( 0.000 1.142 8.753) 8.827 8.617 ( 0.000 -13.321 -5.068) 14.252 9.005 ( 0.000 5.550 2.342) 6.023 9.047 ( 0.000 -6.653 -10.387) 12.335 9.295 ( 0.000 7.505 -3.777) 8.402 9.430 ( 0.000 1.848 -6.089) 6.363 9.446 ( 0.000 5.084 0.947) 5.172 9.527 ( 0.000 -7.143 -1.361) 7.272 9.676 ( 0.000 1.938 -0.983) 2.173 9.824 ( 0.000 1.994 1.763) 2.662 9.925 ( 0.000 -13.974 -12.923) 19.034 10.015 ( 0.000 -1.157 -4.689) 4.829 10.057 ( 0.000 -0.808 -10.877) 10.907 10.198 ( 0.000 -6.459 -10.830) 12.610 10.874 ( 0.000 5.080 8.654) 10.035 10.883 ( 0.000 0.773 7.268) 7.309 10.984 ( 0.000 15.780 11.977) 19.811 11.304 ( 0.000 3.472 10.236) 10.809 11.415 ( 0.000 6.969 -2.069) 7.269 11.563 ( 0.000 -1.772 1.416) 2.268 11.633 ( 0.000 -0.753 5.112) 5.167 11.655 ( 0.000 -1.663 10.838) 10.965 12.178 ( 0.000 9.762 -5.492) 11.201 12.478 ( 0.000 -7.438 -12.447) 14.500 12.497 ( 0.000 14.021 4.797) 14.819 12.525 ( 0.000 17.335 -10.162) 20.094 12.750 ( 0.000 6.216 -0.706) 6.256 12.903 ( 0.000 1.842 8.457) 8.656 13.169 ( 0.000 -7.690 7.653) 10.850 13.206 ( 0.000 2.357 7.690) 8.043 13.596 ( 0.000 10.023 4.052) 10.811 13.766 ( 0.000 -3.683 1.351) 3.923 13.792 ( 0.000 0.176 3.565) 3.569 14.063 ( 0.000 -8.920 0.876) 8.963 15.091 ( 0.000 -2.805 8.955) 9.384 15.094 ( 0.000 -2.365 2.882) 3.728 15.310 ( 0.000 7.643 6.230) 9.860 15.746 ( 0.000 -12.442 0.383) 12.448 16.078 ( 0.000 11.002 -32.258) 34.083 16.330 ( 0.000 5.883 -21.637) 22.423 16.345 ( 0.000 -1.186 -28.790) 28.815 16.415 ( 0.000 0.612 -26.244) 26.251 17.458 ( 0.000 2.049 27.283) 27.360 17.551 ( 0.000 0.485 21.232) 21.237 17.670 ( 0.000 5.563 18.056) 18.893 18.013 ( 0.000 -11.771 11.188) 16.240 19.186 ( 0.000 11.041 -1.045) 11.090 19.266 ( 0.000 8.417 4.343) 9.471 19.553 ( 0.000 -8.300 -11.391) 14.094 19.734 ( 0.000 -14.464 -2.801) 14.733 22.320 ( 0.000 -1.760 0.824) 1.943 22.410 ( 0.000 -5.892 -1.553) 6.093 22.802 ( 0.000 -6.446 1.543) 6.628 22.901 ( 0.000 -10.132 -1.047) 10.186 24.262 ( 0.000 -1.100 0.460) 1.192 24.287 ( 0.000 -2.639 -0.180) 2.645 24.455 ( 0.000 -0.628 0.140) 0.643 24.457 ( 0.000 -0.383 0.089) 0.393 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -0.595 3.530 1.110) 3.748 2.883 ( 3.134 0.559 -4.027) 5.133 2.961 ( -3.434 7.710 -0.041) 8.440 3.039 ( -0.128 9.035 -0.485) 9.049 3.095 ( 0.639 5.050 1.958) 5.454 3.130 ( -2.633 0.431 -0.222) 2.678 3.236 ( 2.781 0.973 -1.697) 3.400 3.273 ( 3.373 -0.926 0.552) 3.541 3.316 ( -0.119 4.690 2.207) 5.185 3.395 ( -2.105 1.265 -2.861) 3.770 3.489 ( -2.572 1.665 1.112) 3.259 3.532 ( -1.328 0.036 1.701) 2.158 3.600 ( 4.353 -0.093 2.356) 4.951 3.644 ( 4.167 -0.054 0.317) 4.179 3.819 ( 0.464 1.525 3.825) 4.144 3.911 ( -1.362 -3.179 0.674) 3.524 4.243 ( -0.739 6.436 2.477) 6.936 4.331 ( -1.815 2.863 1.074) 3.556 4.482 ( -7.021 8.787 6.728) 13.106 4.620 ( -8.939 1.932 5.270) 10.555 4.900 ( 7.798 7.832 -5.896) 12.526 5.024 ( 7.221 2.347 -5.140) 9.169 5.150 ( 0.800 4.486 -3.371) 5.668 5.185 ( 0.744 3.449 -5.250) 6.326 5.977 ( -1.493 6.183 0.715) 6.401 6.002 ( -2.078 2.328 1.162) 3.330 6.116 ( -1.402 -2.994 -2.536) 4.166 6.198 ( -2.635 -2.579 -4.602) 5.897 7.074 ( 4.107 4.707 -1.352) 6.391 7.118 ( -2.707 4.043 -1.083) 4.984 7.213 ( -4.362 8.805 6.334) 11.691 7.282 ( 2.291 4.107 3.308) 5.749 7.443 ( 12.694 1.896 3.109) 13.206 7.666 ( -3.181 -0.381 -3.216) 4.540 7.787 ( 2.573 9.934 4.969) 11.402 7.876 ( 2.408 7.124 5.672) 9.419 8.134 ( -5.574 10.213 8.126) 14.191 8.235 ( 0.794 -0.890 -0.292) 1.228 8.614 ( -0.430 -14.991 -4.153) 15.562 8.695 ( 8.637 -9.231 1.695) 12.755 8.972 ( 0.744 7.412 -1.963) 7.703 9.109 ( 4.229 1.279 -4.284) 6.154 9.240 ( -4.173 8.308 -2.234) 9.562 9.405 ( -1.429 -5.022 -6.198) 8.104 9.541 ( 4.133 1.986 -0.094) 4.587 9.581 ( 8.326 1.078 -7.126) 11.012 9.777 ( 6.118 -1.132 -2.679) 6.774 9.847 ( 2.016 -1.117 -5.305) 5.784 9.943 ( 7.869 -2.046 -2.540) 8.518 10.005 ( -1.066 -5.869 -11.219) 12.706 10.100 ( 3.657 -2.094 -3.900) 5.742 10.193 ( 0.242 -4.746 -8.034) 9.334 10.702 ( -13.237 2.656 7.053) 15.232 10.749 ( -11.932 3.156 7.073) 14.225 10.923 ( -10.307 13.047 12.436) 20.764 11.229 ( -8.982 4.065 -3.009) 10.308 11.404 ( -0.858 4.988 0.080) 5.062 11.505 ( -4.877 0.109 12.167) 13.109 11.666 ( 2.431 -7.154 3.016) 8.136 11.681 ( 3.490 3.822 12.946) 13.942 12.196 ( 2.081 8.910 -5.317) 10.583 12.359 ( -5.965 14.517 -1.099) 15.733 12.404 ( -5.367 -2.144 -12.310) 13.599 12.618 ( 0.376 12.728 -8.950) 15.564 12.797 ( 2.911 0.804 6.752) 7.397 12.901 ( 1.973 6.013 7.367) 9.711 13.086 ( -5.566 -0.146 9.306) 10.844 13.184 ( -2.535 2.695 5.692) 6.789 13.680 ( 5.988 6.269 3.954) 9.529 13.762 ( 1.192 -0.269 1.737) 2.124 13.876 ( 5.955 -4.512 2.121) 7.767 14.068 ( 0.267 -8.838 0.870) 8.885 15.112 ( 2.109 -1.375 8.625) 8.985 15.176 ( 7.698 -3.863 2.482) 8.963 15.291 ( -1.861 6.982 6.441) 9.680 15.700 ( -4.670 -11.805 0.532) 12.707 16.104 ( 2.517 10.399 -31.389) 33.162 16.305 ( -2.243 5.921 -23.115) 23.966 16.354 ( 0.737 -0.661 -28.152) 28.170 16.412 ( -0.426 0.328 -26.467) 26.472 17.490 ( 3.250 1.473 26.269) 26.510 17.560 ( 0.858 0.856 20.770) 20.806 17.659 ( -1.039 4.675 18.394) 19.007 17.938 ( -7.036 -9.822 13.521) 18.133 19.189 ( 0.401 11.139 -0.854) 11.179 19.251 ( -1.271 9.426 3.022) 9.980 19.581 ( 2.440 -9.469 -10.274) 14.184 19.723 ( -1.143 -14.180 -3.727) 14.706 22.360 ( 3.954 -2.052 0.889) 4.543 22.455 ( 4.310 -6.251 -1.680) 7.776 22.752 ( -4.778 -6.072 1.691) 7.909 22.852 ( -4.728 -9.833 -0.995) 10.956 24.275 ( 1.587 -0.336 0.649) 1.748 24.325 ( 3.005 -2.990 -0.734) 4.303 24.428 ( -1.531 -0.014 0.855) 1.754 24.469 ( 0.116 -2.039 -0.269) 2.060 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 3.269 8.285 1.134) 8.979 2.846 ( -4.812 10.471 0.374) 11.530 2.972 ( 2.829 1.144 -4.971) 5.833 3.022 ( -1.837 5.698 -2.890) 6.648 3.093 ( -0.447 5.130 -0.313) 5.159 3.096 ( -0.623 4.245 1.303) 4.484 3.292 ( 2.058 2.442 -0.522) 3.236 3.324 ( 1.831 2.518 1.528) 3.468 3.332 ( -0.059 -2.024 -0.558) 2.100 3.376 ( 0.810 -1.345 -0.053) 1.571 3.431 ( -1.341 -0.400 2.085) 2.511 3.481 ( -3.445 -2.038 2.379) 4.657 3.707 ( 5.462 1.597 0.049) 5.691 3.745 ( 5.322 0.204 -0.820) 5.389 3.801 ( -2.396 -0.011 0.826) 2.534 3.858 ( -4.200 -2.581 0.015) 4.929 4.274 ( 4.540 5.809 5.455) 9.171 4.313 ( 0.761 4.243 3.888) 5.805 4.366 ( -4.492 5.893 6.981) 10.181 4.427 ( -9.392 2.954 6.268) 11.672 5.049 ( 6.211 7.985 -5.157) 11.355 5.120 ( 0.285 5.835 -5.062) 7.730 5.164 ( 1.864 3.572 -5.104) 6.503 5.195 ( -0.259 3.324 -6.215) 7.053 5.950 ( -0.665 4.152 0.653) 4.255 5.961 ( -1.659 3.527 1.038) 4.033 6.103 ( 0.554 -3.458 -2.918) 4.558 6.139 ( -2.810 -2.984 -3.749) 5.555 7.068 ( -0.983 6.053 2.201) 6.515 7.084 ( -2.547 6.501 4.470) 8.291 7.216 ( 3.713 -0.560 -1.856) 4.189 7.286 ( -2.727 -2.277 1.843) 4.003 7.660 ( 10.552 5.401 4.545) 12.695 7.778 ( 5.413 6.173 -3.038) 8.754 7.844 ( 5.052 11.774 9.811) 16.137 7.886 ( -0.224 11.424 2.397) 11.675 8.037 ( -3.068 5.221 6.678) 9.014 8.155 ( -8.914 1.353 1.494) 9.139 8.624 ( 2.683 -15.487 -1.457) 15.785 8.710 ( -4.501 -15.834 -3.036) 16.739 9.078 ( 6.183 11.127 -1.805) 12.857 9.164 ( -3.216 10.887 -2.793) 11.691 9.211 ( 5.965 -1.716 -2.851) 6.831 9.334 ( -5.443 -5.910 -4.408) 9.164 9.639 ( 4.682 -0.477 -8.545) 9.755 9.690 ( 0.440 -0.971 -11.810) 11.858 9.878 ( 4.782 -6.182 -9.145) 12.030 9.951 ( -1.736 -6.478 -9.224) 11.404 10.047 ( 17.433 6.721 0.666) 18.696 10.176 ( 7.507 4.503 0.020) 8.754 10.193 ( 5.265 -1.265 1.637) 5.657 10.316 ( 12.365 0.871 -0.336) 12.400 10.404 ( -16.202 3.009 4.514) 17.086 10.540 ( -4.298 -3.503 3.940) 6.802 10.592 ( -16.811 10.616 5.144) 20.537 10.896 ( -22.602 -1.013 -7.068) 23.703 11.406 ( 1.227 4.889 6.493) 8.220 11.441 ( -2.161 3.948 13.815) 14.529 11.717 ( 2.368 -3.472 8.518) 9.498 11.736 ( 0.929 -0.275 10.474) 10.518 12.254 ( 2.130 7.227 -4.996) 9.040 12.291 ( -2.155 8.085 -5.056) 9.776 12.348 ( 3.177 7.055 -10.175) 12.783 12.503 ( -9.321 6.149 -8.350) 13.943 12.874 ( 4.563 6.011 11.414) 13.683 12.950 ( -1.531 6.648 9.598) 11.775 13.026 ( 2.463 4.798 5.999) 8.067 13.113 ( -4.445 4.271 4.412) 7.581 13.770 ( 2.720 3.208 2.803) 5.054 13.789 ( 0.662 1.113 1.334) 1.859 13.992 ( 4.996 -7.257 1.450) 8.929 14.058 ( -1.669 -8.468 1.003) 8.689 15.169 ( 3.406 1.895 7.867) 8.780 15.238 ( -3.230 5.115 6.972) 9.231 15.367 ( 10.548 -7.058 1.714) 12.807 15.565 ( -8.758 -9.928 0.973) 13.275 16.170 ( 3.848 8.912 -28.877) 30.465 16.246 ( -3.563 7.245 -25.596) 26.839 16.373 ( 1.166 -0.542 -27.824) 27.853 16.396 ( -1.067 -0.200 -27.185) 27.206 17.577 ( 3.905 1.239 22.219) 22.593 17.584 ( 1.604 2.053 19.485) 19.658 17.643 ( 1.011 0.838 20.434) 20.476 17.769 ( -8.940 -5.538 18.677) 21.435 19.202 ( 0.894 11.202 -0.203) 11.240 19.224 ( -1.298 10.730 1.079) 10.862 19.636 ( 2.899 -11.487 -8.208) 14.413 19.689 ( -2.273 -13.173 -5.873) 14.601 22.468 ( 6.539 -2.827 0.750) 7.164 22.555 ( 3.273 -5.401 -2.205) 6.689 22.643 ( -3.570 -6.803 2.269) 8.011 22.730 ( -6.947 -9.174 -0.700) 11.529 24.319 ( 2.610 0.601 0.507) 2.726 24.362 ( -0.859 0.348 -0.799) 1.223 24.418 ( 1.603 -3.646 0.991) 4.104 24.456 ( -1.463 -3.653 -0.208) 3.940 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 0.000 -1.937 0.104) 1.940 2.776 ( 0.000 1.937 0.104) 1.940 3.114 ( 0.000 -0.403 3.761) 3.783 3.114 ( 0.000 0.403 3.761) 3.783 3.165 ( 0.000 -3.315 -3.655) 4.934 3.165 ( 0.000 3.315 -3.655) 4.934 3.214 ( 0.000 -0.026 -2.107) 2.107 3.214 ( 0.000 0.027 -2.107) 2.107 3.428 ( 0.000 -3.598 2.453) 4.355 3.428 ( 0.000 3.598 2.453) 4.355 3.526 ( 0.000 -1.536 0.592) 1.646 3.526 ( 0.000 1.536 0.592) 1.646 3.569 ( 0.000 -2.063 1.846) 2.768 3.569 ( 0.000 2.063 1.846) 2.768 3.861 ( 0.000 -2.509 1.430) 2.888 3.861 ( 0.000 2.509 1.430) 2.888 4.348 ( 0.000 -2.701 1.649) 3.165 4.348 ( 0.000 2.701 1.649) 3.165 4.743 ( 0.000 -1.206 5.921) 6.042 4.743 ( 0.000 1.206 5.921) 6.042 4.881 ( 0.000 -1.164 -7.070) 7.166 4.881 ( 0.000 1.164 -7.070) 7.166 5.195 ( 0.000 -1.168 -3.486) 3.677 5.195 ( 0.000 1.168 -3.486) 3.677 6.074 ( 0.000 -2.719 -0.186) 2.726 6.074 ( 0.000 2.720 -0.186) 2.726 6.139 ( 0.000 -5.959 -1.999) 6.286 6.139 ( 0.000 5.959 -1.999) 6.286 7.133 ( 0.000 -4.602 -0.762) 4.665 7.133 ( 0.000 4.602 -0.762) 4.665 7.309 ( 0.000 -0.608 0.572) 0.834 7.309 ( 0.000 0.608 0.572) 0.834 7.579 ( 0.000 -14.890 3.466) 15.288 7.579 ( 0.000 14.890 3.466) 15.288 7.890 ( 0.000 -1.722 2.962) 3.426 7.890 ( 0.000 1.722 2.962) 3.426 8.272 ( 0.000 -13.814 -0.434) 13.821 8.272 ( 0.000 13.815 -0.434) 13.822 8.410 ( 0.000 -9.668 3.995) 10.461 8.410 ( 0.000 9.668 3.995) 10.461 9.016 ( 0.000 -2.633 2.467) 3.608 9.016 ( 0.000 2.634 2.467) 3.609 9.400 ( 0.000 -3.077 -2.900) 4.229 9.400 ( 0.000 3.078 -2.900) 4.229 9.598 ( 0.000 -11.564 -11.804) 16.525 9.598 ( 0.000 11.564 -11.804) 16.525 9.684 ( 0.000 -11.407 2.195) 11.616 9.684 ( 0.000 11.407 2.195) 11.616 9.886 ( 0.000 -9.354 -12.121) 15.311 9.886 ( 0.000 9.354 -12.121) 15.311 10.108 ( 0.000 -3.124 -8.486) 9.043 10.108 ( 0.000 3.124 -8.486) 9.043 10.914 ( 0.000 -0.902 11.599) 11.634 10.914 ( 0.000 0.902 11.599) 11.634 11.321 ( 0.000 -15.975 3.921) 16.449 11.321 ( 0.000 15.975 3.921) 16.449 11.429 ( 0.000 -6.455 3.703) 7.442 11.429 ( 0.000 6.455 3.703) 7.442 11.621 ( 0.000 -1.190 10.982) 11.046 11.621 ( 0.000 1.190 10.982) 11.046 12.345 ( 0.000 -6.795 -9.927) 12.030 12.345 ( 0.000 6.796 -9.927) 12.030 12.745 ( 0.000 -2.301 -10.486) 10.736 12.745 ( 0.000 2.302 -10.486) 10.736 12.797 ( 0.000 -9.769 13.187) 16.411 12.797 ( 0.000 9.769 13.187) 16.411 13.160 ( 0.000 -5.029 8.682) 10.034 13.160 ( 0.000 5.030 8.682) 10.034 13.728 ( 0.000 -2.122 -0.287) 2.142 13.728 ( 0.000 2.123 -0.287) 2.142 13.868 ( 0.000 -8.804 5.234) 10.243 13.868 ( 0.000 8.804 5.234) 10.243 15.065 ( 0.000 -0.333 6.356) 6.365 15.065 ( 0.000 0.334 6.356) 6.365 15.505 ( 0.000 -11.388 3.388) 11.881 15.505 ( 0.000 11.388 3.388) 11.881 16.266 ( 0.000 -6.894 -32.939) 33.652 16.266 ( 0.000 6.894 -32.939) 33.652 16.412 ( 0.000 -1.898 -26.517) 26.585 16.412 ( 0.000 1.898 -26.517) 26.585 17.520 ( 0.000 -3.125 24.914) 25.109 17.520 ( 0.000 3.126 24.914) 25.109 17.807 ( 0.000 -8.481 17.961) 19.862 17.807 ( 0.000 8.481 17.961) 19.862 19.385 ( 0.000 -8.945 -5.481) 10.491 19.385 ( 0.000 8.945 -5.481) 10.491 19.472 ( 0.000 -11.790 -1.577) 11.895 19.472 ( 0.000 11.790 -1.577) 11.895 22.326 ( 0.000 -2.336 0.130) 2.340 22.326 ( 0.000 2.336 0.130) 2.340 22.761 ( 0.000 -2.801 -0.154) 2.806 22.761 ( 0.000 2.802 -0.154) 2.806 24.256 ( 0.000 -0.592 0.126) 0.606 24.256 ( 0.000 0.593 0.126) 0.606 24.449 ( 0.000 -0.151 0.130) 0.199 24.449 ( 0.000 0.151 0.130) 0.199 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 3.697 -4.611 -0.455) 5.927 2.815 ( 3.697 4.611 -0.455) 5.927 3.080 ( -2.962 -3.330 0.776) 4.524 3.080 ( -2.962 3.330 0.776) 4.524 3.181 ( 1.368 -2.191 -1.255) 2.872 3.181 ( 1.368 2.191 -1.255) 2.872 3.228 ( 1.012 -1.910 -1.363) 2.555 3.228 ( 1.012 1.910 -1.363) 2.555 3.402 ( -1.834 -2.941 2.054) 4.029 3.402 ( -1.834 2.941 2.054) 4.029 3.495 ( -2.926 -2.138 1.002) 3.760 3.495 ( -2.926 2.138 1.002) 3.760 3.626 ( 4.790 -1.607 1.283) 5.213 3.626 ( 4.790 1.607 1.283) 5.213 3.857 ( -0.631 -2.118 1.033) 2.440 3.857 ( -0.631 2.118 1.033) 2.440 4.335 ( -0.873 -2.402 2.029) 3.263 4.335 ( -0.873 2.403 2.029) 3.264 4.604 ( -8.877 -3.434 5.118) 10.807 4.604 ( -8.877 3.435 5.118) 10.807 5.016 ( 8.354 -3.273 -5.582) 10.567 5.016 ( 8.354 3.273 -5.582) 10.567 5.209 ( 1.061 -1.059 -3.752) 4.040 5.209 ( 1.061 1.059 -3.752) 4.041 6.047 ( -2.015 -3.016 -0.361) 3.645 6.047 ( -2.015 3.016 -0.361) 3.645 6.115 ( -2.296 -5.546 -1.975) 6.319 6.115 ( -2.296 5.546 -1.975) 6.319 7.141 ( 0.156 -1.514 -2.741) 3.135 7.141 ( 0.156 1.514 -2.741) 3.135 7.336 ( -1.885 -0.388 6.476) 6.756 7.336 ( -1.885 0.388 6.476) 6.756 7.541 ( 4.233 -9.169 -0.063) 10.099 7.541 ( 4.233 9.169 -0.063) 10.099 7.990 ( 7.098 -3.198 3.699) 8.619 7.990 ( 7.098 3.198 3.699) 8.619 8.255 ( -2.273 -12.608 0.752) 12.833 8.255 ( -2.273 12.608 0.752) 12.833 8.389 ( -2.485 -14.291 3.660) 14.961 8.389 ( -2.485 14.292 3.660) 14.961 9.096 ( 6.489 -3.680 1.040) 7.532 9.096 ( 6.489 3.680 1.040) 7.532 9.361 ( -3.089 -2.384 -2.775) 4.788 9.361 ( -3.089 2.384 -2.775) 4.788 9.629 ( 3.048 -9.071 -14.157) 17.088 9.629 ( 3.048 9.071 -14.157) 17.088 9.767 ( 4.981 -8.824 -3.734) 10.799 9.767 ( 4.981 8.824 -3.734) 10.799 9.915 ( 6.347 -2.838 -6.267) 9.360 9.915 ( 6.347 2.838 -6.267) 9.360 10.118 ( 1.770 -2.115 -5.794) 6.417 10.118 ( 1.770 2.115 -5.794) 6.417 10.757 ( -13.482 -1.915 11.319) 17.707 10.757 ( -13.482 1.915 11.319) 17.707 11.203 ( -13.388 -10.520 0.294) 17.029 11.203 ( -13.388 10.521 0.293) 17.030 11.477 ( 3.596 -3.285 3.340) 5.906 11.477 ( 3.596 3.285 3.340) 5.906 11.605 ( -0.496 -5.579 13.191) 14.331 11.605 ( -0.496 5.579 13.191) 14.331 12.337 ( -0.119 -4.900 -7.643) 9.080 12.337 ( -0.119 4.901 -7.643) 9.080 12.612 ( -7.670 -9.971 -1.603) 12.682 12.612 ( -7.670 9.972 -1.603) 12.682 12.911 ( 6.097 -6.382 4.856) 10.074 12.911 ( 6.097 6.382 4.856) 10.074 13.148 ( -1.312 -5.468 7.829) 9.639 13.148 ( -1.312 5.468 7.829) 9.639 13.774 ( 3.943 -1.842 0.304) 4.362 13.774 ( 3.943 1.842 0.304) 4.362 13.880 ( 0.869 -8.034 4.538) 9.268 13.880 ( 0.869 8.034 4.538) 9.268 15.116 ( 4.919 -1.854 5.898) 7.901 15.116 ( 4.919 1.855 5.898) 7.901 15.472 ( -3.304 -10.669 3.535) 11.715 15.472 ( -3.304 10.669 3.535) 11.715 16.280 ( 1.381 -6.335 -32.374) 33.017 16.280 ( 1.381 6.336 -32.374) 33.017 16.399 ( -1.289 -2.387 -27.150) 27.285 16.399 ( -1.289 2.388 -27.150) 27.285 17.539 ( 1.959 -2.492 24.356) 24.562 17.539 ( 1.959 2.493 24.356) 24.562 17.770 ( -3.475 -6.797 18.713) 20.210 17.770 ( -3.475 6.797 18.713) 20.210 19.395 ( 0.941 -9.413 -5.127) 10.760 19.395 ( 0.941 9.413 -5.127) 10.760 19.465 ( -0.693 -11.663 -2.000) 11.854 19.465 ( -0.692 11.663 -2.000) 11.854 22.365 ( 3.806 -2.513 0.111) 4.562 22.365 ( 3.806 2.513 0.111) 4.562 22.715 ( -4.417 -2.824 -0.119) 5.243 22.715 ( -4.417 2.824 -0.119) 5.243 24.282 ( 2.506 -1.244 0.125) 2.801 24.282 ( 2.506 1.245 0.125) 2.801 24.437 ( -1.192 -1.016 0.129) 1.571 24.437 ( -1.192 1.016 0.129) 1.572 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 5.210 -5.958 -1.468) 8.050 2.908 ( 5.210 5.958 -1.468) 8.050 3.006 ( -4.432 -4.845 -1.309) 6.696 3.006 ( -4.432 4.845 -1.309) 6.696 3.215 ( 1.811 -3.187 0.146) 3.669 3.215 ( 1.811 3.187 0.146) 3.669 3.239 ( -0.270 -3.331 -0.029) 3.342 3.239 ( -0.270 3.331 -0.029) 3.342 3.383 ( 0.462 -1.796 1.423) 2.337 3.383 ( 0.462 1.796 1.423) 2.337 3.426 ( -3.470 -2.369 1.479) 4.454 3.426 ( -3.470 2.369 1.479) 4.454 3.732 ( 5.395 -0.927 -0.096) 5.475 3.732 ( 5.395 0.927 -0.096) 5.475 3.821 ( -3.226 -1.302 -0.176) 3.483 3.821 ( -3.226 1.302 -0.176) 3.483 4.345 ( 2.592 -1.067 4.346) 5.171 4.345 ( 2.592 1.067 4.346) 5.171 4.443 ( -6.959 -1.574 6.213) 9.460 4.443 ( -6.959 1.574 6.213) 9.460 5.155 ( 5.235 -2.330 -5.887) 8.215 5.155 ( 5.235 2.330 -5.887) 8.215 5.216 ( -0.958 -1.306 -4.829) 5.094 5.216 ( -0.958 1.307 -4.829) 5.094 6.025 ( 0.330 -3.730 -0.812) 3.832 6.025 ( 0.330 3.730 -0.812) 3.832 6.060 ( -2.762 -4.661 -1.503) 5.623 6.060 ( -2.762 4.662 -1.503) 5.623 7.153 ( 1.759 -1.843 -0.284) 2.563 7.153 ( 1.759 1.843 -0.284) 2.563 7.227 ( -5.672 -3.265 3.212) 7.291 7.227 ( -5.672 3.265 3.212) 7.291 7.785 ( 15.791 -5.512 3.075) 17.006 7.785 ( 15.791 5.512 3.075) 17.006 8.047 ( -6.804 -5.499 1.728) 8.917 8.047 ( -6.804 5.499 1.728) 8.917 8.213 ( 2.441 -17.225 4.043) 17.860 8.213 ( 2.441 17.225 4.043) 17.860 8.310 ( -5.115 -16.553 2.421) 17.494 8.310 ( -5.115 16.553 2.421) 17.494 9.213 ( 4.922 -1.869 -1.796) 5.563 9.213 ( 4.922 1.869 -1.796) 5.563 9.296 ( -3.576 -1.727 -3.073) 5.021 9.296 ( -3.576 1.727 -3.073) 5.021 9.706 ( 4.295 -7.037 -15.302) 17.381 9.706 ( 4.295 7.037 -15.302) 17.381 9.777 ( -2.345 -7.446 -12.952) 15.123 9.777 ( -2.345 7.446 -12.952) 15.123 10.168 ( 11.347 -2.856 3.757) 12.289 10.168 ( 11.347 2.856 3.757) 12.289 10.260 ( 14.092 -4.080 -1.448) 14.742 10.260 ( 14.092 4.080 -1.448) 14.742 10.482 ( -8.781 -3.337 8.710) 12.810 10.482 ( -8.781 3.337 8.710) 12.810 10.806 ( -24.452 -8.479 -2.294) 25.982 10.806 ( -24.452 8.479 -2.294) 25.982 11.547 ( 3.248 -8.798 6.206) 11.246 11.547 ( 3.248 8.798 6.206) 11.246 11.595 ( -1.334 -9.657 10.854) 14.589 11.595 ( -1.334 9.657 10.854) 14.589 12.368 ( 3.490 -3.126 -4.020) 6.174 12.368 ( 3.490 3.126 -4.020) 6.174 12.470 ( -6.453 -7.123 -2.061) 9.830 12.470 ( -6.453 7.123 -2.061) 9.830 13.022 ( 4.967 -5.291 5.691) 9.222 13.022 ( 4.967 5.291 5.691) 9.222 13.104 ( -3.222 -5.506 6.566) 9.154 13.104 ( -3.222 5.506 6.566) 9.155 13.851 ( 3.125 -3.923 1.574) 5.257 13.851 ( 3.125 3.923 1.574) 5.257 13.887 ( -0.523 -6.291 3.064) 7.017 13.887 ( -0.523 6.292 3.064) 7.017 15.241 ( 7.136 -5.246 4.905) 10.124 15.241 ( 7.136 5.246 4.905) 10.125 15.377 ( -6.118 -8.533 4.029) 11.245 15.377 ( -6.118 8.533 4.029) 11.246 16.318 ( 2.242 -4.975 -30.823) 31.302 16.318 ( 2.242 4.976 -30.823) 31.302 16.363 ( -2.187 -3.509 -28.809) 29.105 16.363 ( -2.187 3.509 -28.809) 29.105 17.597 ( 3.823 -0.537 22.777) 23.102 17.597 ( 3.823 0.538 22.777) 23.102 17.685 ( -4.749 -3.078 20.610) 21.373 17.685 ( -4.749 3.078 20.610) 21.373 19.419 ( 1.366 -10.372 -4.206) 11.275 19.419 ( 1.366 10.372 -4.206) 11.275 19.445 ( -1.222 -11.204 -3.030) 11.671 19.445 ( -1.222 11.204 -3.030) 11.671 22.468 ( 6.306 -2.769 0.053) 6.887 22.468 ( 6.306 2.769 0.053) 6.887 22.601 ( -6.658 -2.854 -0.036) 7.244 22.601 ( -6.658 2.854 -0.036) 7.244 24.343 ( 3.245 -1.792 0.124) 3.709 24.343 ( 3.245 1.792 0.124) 3.709 24.401 ( -2.460 -1.694 0.126) 2.989 24.401 ( -2.460 1.694 0.126) 2.989 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.000 0.000 26.759) 26.759 1.275 ( 0.000 0.000 31.163) 31.163 1.454 ( 0.000 0.000 -25.751) 25.751 1.788 ( 0.000 0.000 -25.193) 25.193 1.961 ( 0.000 0.000 45.777) 45.777 2.523 ( 0.000 0.000 9.231) 9.231 2.544 ( 0.000 0.000 9.421) 9.421 2.559 ( 0.000 0.000 -9.050) 9.050 2.689 ( 0.000 0.000 -8.333) 8.333 2.739 ( 0.000 0.000 -22.362) 22.362 2.888 ( 0.000 0.000 5.964) 5.964 2.912 ( 0.000 0.000 6.048) 6.048 3.004 ( 0.000 0.000 -6.985) 6.985 3.007 ( 0.000 0.000 -4.246) 4.246 3.155 ( 0.000 0.000 2.646) 2.646 3.195 ( 0.000 0.000 -1.723) 1.723 3.387 ( 0.000 0.000 9.111) 9.111 3.552 ( 0.000 0.000 -7.762) 7.762 3.793 ( 0.000 0.000 7.765) 7.765 3.937 ( 0.000 0.000 -7.564) 7.564 4.283 ( 0.000 0.000 9.497) 9.497 4.482 ( 0.000 0.000 -11.330) 11.330 4.814 ( 0.000 0.000 7.470) 7.470 4.952 ( 0.000 0.000 -0.073) 0.073 4.952 ( 0.000 0.000 -0.070) 0.070 4.980 ( 0.000 0.000 -9.517) 9.517 5.222 ( 0.000 0.000 2.198) 2.198 5.261 ( 0.000 0.000 -2.012) 2.012 5.790 ( 0.000 0.000 4.983) 4.983 5.902 ( 0.000 0.000 -6.558) 6.558 6.649 ( 0.000 0.000 3.838) 3.838 6.702 ( 0.000 0.000 -0.954) 0.954 7.046 ( 0.000 0.000 2.125) 2.125 7.091 ( 0.000 0.000 -2.369) 2.369 7.341 ( 0.000 0.000 0.605) 0.605 7.349 ( 0.000 0.000 0.568) 0.568 7.694 ( 0.000 0.000 3.032) 3.032 7.827 ( 0.000 0.000 -12.067) 12.067 7.983 ( 0.000 0.000 2.497) 2.497 8.034 ( 0.000 0.000 -2.924) 2.924 8.076 ( 0.000 0.000 10.572) 10.572 8.278 ( 0.000 0.000 -10.988) 10.988 8.540 ( 0.000 0.000 5.325) 5.325 8.622 ( 0.000 0.000 -3.573) 3.573 8.666 ( 0.000 0.000 5.607) 5.607 8.760 ( 0.000 0.000 -3.941) 3.941 8.857 ( 0.000 0.000 4.411) 4.411 8.961 ( 0.000 0.000 -6.408) 6.408 9.732 ( 0.000 0.000 6.631) 6.631 9.838 ( 0.000 0.000 15.819) 15.819 9.841 ( 0.000 0.000 -5.159) 5.159 10.071 ( 0.000 0.000 -9.958) 9.958 10.332 ( 0.000 0.000 4.009) 4.009 10.417 ( 0.000 0.000 -5.397) 5.397 10.755 ( 0.000 0.000 17.211) 17.211 11.119 ( 0.000 0.000 -22.162) 22.162 11.288 ( 0.000 0.000 16.921) 16.921 11.299 ( 0.000 0.000 10.213) 10.213 11.532 ( 0.000 0.000 -15.177) 15.177 11.572 ( 0.000 0.000 -11.877) 11.877 11.777 ( 0.000 0.000 1.595) 1.595 11.847 ( 0.000 0.000 -6.636) 6.636 12.342 ( 0.000 0.000 2.202) 2.202 12.354 ( 0.000 0.000 0.995) 0.995 12.764 ( 0.000 0.000 18.577) 18.577 13.166 ( 0.000 0.000 -25.157) 25.157 13.656 ( 0.000 0.000 3.770) 3.770 13.744 ( 0.000 0.000 -6.218) 6.218 13.745 ( 0.000 0.000 21.429) 21.429 13.824 ( 0.000 0.000 19.848) 19.848 14.099 ( 0.000 0.000 -16.845) 16.845 14.153 ( 0.000 0.000 -15.718) 15.718 14.894 ( 0.000 0.000 0.121) 0.121 14.913 ( 0.000 0.000 -2.489) 2.489 15.366 ( 0.000 0.000 7.113) 7.113 15.477 ( 0.000 0.000 -4.160) 4.160 15.649 ( 0.000 0.000 5.956) 5.956 15.749 ( 0.000 0.000 -4.202) 4.202 16.329 ( 0.000 0.000 18.078) 18.078 16.617 ( 0.000 0.000 -13.122) 13.122 18.250 ( 0.000 0.000 24.307) 24.307 18.699 ( 0.000 0.000 -23.628) 23.628 19.695 ( 0.000 0.000 2.160) 2.160 19.700 ( 0.000 0.000 2.118) 2.118 19.735 ( 0.000 0.000 -2.088) 2.088 19.739 ( 0.000 0.000 -2.049) 2.049 20.366 ( 0.000 0.000 8.258) 8.258 20.521 ( 0.000 0.000 -8.324) 8.324 21.404 ( 0.000 0.000 4.591) 4.591 21.499 ( 0.000 0.000 -5.804) 5.804 21.959 ( 0.000 0.000 3.659) 3.659 22.011 ( 0.000 0.000 -2.041) 2.041 24.213 ( 0.000 0.000 10.040) 10.040 24.428 ( 0.000 0.000 -13.346) 13.346 25.582 ( 0.000 0.000 14.350) 14.350 25.816 ( 0.000 0.000 -11.158) 11.158 ======================= Grid point 151 (50/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 15.146 0.000 21.312) 26.146 1.379 ( 9.901 0.000 27.515) 29.242 1.562 ( 9.038 0.000 -22.514) 24.260 1.833 ( 3.926 0.000 -21.649) 22.003 2.129 ( 15.321 0.000 39.753) 42.603 2.401 ( -9.482 0.000 12.822) 15.948 2.403 ( -9.940 0.000 9.065) 13.453 2.502 ( -7.688 0.000 -6.308) 9.945 2.589 ( -8.924 0.000 -10.402) 13.705 2.794 ( 4.500 0.000 -13.212) 13.957 2.892 ( -3.908 0.000 0.248) 3.916 2.924 ( 2.664 0.000 -11.623) 11.924 2.939 ( 2.061 0.000 5.956) 6.303 3.016 ( 0.113 0.000 -2.155) 2.158 3.187 ( 2.616 0.000 1.369) 2.952 3.217 ( 1.751 0.000 -1.639) 2.398 3.472 ( 5.482 0.000 5.489) 7.758 3.619 ( 3.119 0.000 -9.521) 10.019 3.755 ( -5.541 0.000 10.080) 11.502 3.943 ( -3.424 0.000 -9.369) 9.975 4.222 ( -2.560 0.000 10.827) 11.126 4.389 ( -4.476 0.000 -5.031) 6.734 4.831 ( 0.278 0.000 3.185) 3.197 4.962 ( -1.653 0.000 -8.706) 8.861 4.979 ( 2.659 0.000 0.320) 2.678 4.986 ( 3.093 0.000 -0.426) 3.123 5.197 ( -2.391 0.000 2.024) 3.132 5.234 ( -2.690 0.000 -1.862) 3.271 5.879 ( 7.854 0.000 3.395) 8.557 5.971 ( 5.466 0.000 -6.279) 8.325 6.537 ( -8.093 0.000 4.309) 9.169 6.567 ( -7.004 0.000 1.113) 7.092 7.159 ( 6.280 0.000 3.194) 7.046 7.248 ( 5.780 0.000 -6.036) 8.358 7.456 ( 9.840 0.000 3.443) 10.425 7.532 ( 15.645 0.000 -4.726) 16.343 7.761 ( 6.600 0.000 4.948) 8.248 7.917 ( 9.443 0.000 -11.236) 14.677 7.993 ( 0.940 0.000 2.057) 2.262 8.035 ( 0.010 0.000 -2.342) 2.342 8.065 ( 1.019 0.000 8.516) 8.576 8.211 ( -2.069 0.000 -5.767) 6.126 8.530 ( -3.500 0.000 -2.432) 4.262 8.552 ( -4.379 0.000 -2.555) 5.070 8.711 ( 4.136 0.000 5.249) 6.683 8.800 ( 3.701 0.000 -3.783) 5.293 8.855 ( -0.222 0.000 4.094) 4.100 8.951 ( -0.961 0.000 -5.830) 5.909 9.675 ( -5.045 0.000 5.157) 7.214 9.710 ( -10.614 0.000 13.551) 17.213 9.752 ( -7.685 0.000 -3.088) 8.282 9.916 ( -15.295 0.000 -8.392) 17.446 10.261 ( -5.482 0.000 4.349) 6.998 10.363 ( -5.662 0.000 -6.823) 8.866 10.837 ( 7.282 0.000 15.120) 16.783 11.163 ( 3.493 0.000 -18.263) 18.594 11.214 ( -5.280 0.000 12.710) 13.763 11.273 ( -2.093 0.000 7.864) 8.137 11.415 ( -10.728 0.000 -9.152) 14.101 11.503 ( -2.891 0.000 -15.425) 15.693 11.871 ( 9.336 0.000 10.619) 14.140 12.077 ( 14.167 0.000 -9.849) 17.254 12.296 ( -1.836 0.000 9.589) 9.764 12.452 ( 6.124 0.000 -6.855) 9.192 12.858 ( 7.871 0.000 11.276) 13.752 13.147 ( -1.656 0.000 -19.180) 19.251 13.686 ( 2.759 0.000 2.441) 3.684 13.753 ( 0.756 0.000 21.267) 21.280 13.765 ( 1.619 0.000 -6.530) 6.727 13.817 ( -0.720 0.000 19.988) 20.001 14.104 ( 0.515 0.000 -16.732) 16.740 14.148 ( -0.502 0.000 -15.821) 15.829 14.885 ( -0.690 0.000 1.414) 1.574 14.919 ( 0.466 0.000 -2.438) 2.483 15.360 ( -1.770 0.000 8.396) 8.581 15.487 ( -1.520 0.000 -5.691) 5.890 15.661 ( 4.114 0.000 8.047) 9.038 15.775 ( 3.396 0.000 -4.528) 5.660 16.257 ( -6.215 0.000 16.248) 17.396 16.510 ( -10.063 0.000 -11.166) 15.031 18.284 ( 3.515 0.000 24.588) 24.838 18.672 ( -3.197 0.000 -13.829) 14.194 19.696 ( 0.026 0.000 2.135) 2.135 19.699 ( -0.066 0.000 2.093) 2.094 19.736 ( 0.061 0.000 -2.054) 2.055 19.739 ( -0.017 0.000 -2.032) 2.032 20.222 ( -13.877 0.000 11.019) 17.719 20.432 ( -9.728 0.000 -10.930) 14.632 21.341 ( -11.285 0.000 10.510) 15.421 21.421 ( -7.128 0.000 5.687) 9.118 21.515 ( -15.838 0.000 1.342) 15.895 21.701 ( -21.746 0.000 -9.522) 23.739 24.398 ( 13.440 0.000 11.317) 17.570 24.648 ( 9.961 0.000 -15.920) 18.779 25.783 ( 15.574 0.000 5.618) 16.557 25.934 ( 9.791 0.000 -9.889) 13.916 ======================= Grid point 152 (51/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 15.653 0.000 12.234) 19.866 1.629 ( 14.065 0.000 18.742) 23.433 1.686 ( -1.102 0.000 -9.237) 9.302 1.856 ( -5.437 0.000 -1.184) 5.565 2.139 ( -3.164 0.000 7.121) 7.792 2.258 ( -0.396 0.000 -3.130) 3.155 2.266 ( -12.014 0.000 -4.784) 12.931 2.387 ( -10.239 0.000 -12.328) 16.025 2.703 ( 27.404 0.000 25.824) 37.655 2.804 ( -0.204 0.000 5.670) 5.674 2.848 ( 1.545 0.000 0.912) 1.794 2.977 ( 1.676 0.000 4.054) 4.387 3.005 ( -1.075 0.000 1.166) 1.586 3.183 ( 18.652 0.000 -21.301) 28.313 3.233 ( 1.638 0.000 -0.178) 1.647 3.244 ( 0.592 0.000 -1.152) 1.295 3.356 ( -28.283 0.000 11.060) 30.369 3.488 ( -8.463 0.000 -3.002) 8.980 3.701 ( 3.104 0.000 -3.632) 4.778 3.796 ( -7.206 0.000 -10.789) 12.974 4.293 ( 5.712 0.000 6.791) 8.874 4.358 ( -0.618 0.000 1.707) 1.816 4.840 ( 1.862 0.000 -0.491) 1.925 4.907 ( -3.873 0.000 -6.163) 7.279 5.049 ( 4.112 0.000 0.897) 4.209 5.066 ( 4.621 0.000 -0.912) 4.710 5.133 ( -3.881 0.000 1.536) 4.174 5.161 ( -4.446 0.000 -1.446) 4.675 6.039 ( 6.327 0.000 0.148) 6.329 6.068 ( 3.167 0.000 -3.098) 4.430 6.423 ( -2.779 0.000 4.348) 5.160 6.449 ( -4.693 0.000 1.451) 4.912 7.242 ( 3.138 0.000 0.305) 3.153 7.293 ( -0.959 0.000 -4.607) 4.705 7.578 ( 1.709 0.000 1.627) 2.360 7.619 ( -2.448 0.000 -2.437) 3.454 7.999 ( 12.982 0.000 6.694) 14.607 8.015 ( 1.079 0.000 0.821) 1.355 8.031 ( -0.469 0.000 -0.872) 0.990 8.115 ( 9.641 0.000 -2.244) 9.899 8.206 ( -0.624 0.000 1.368) 1.503 8.229 ( 1.773 0.000 0.618) 1.878 8.501 ( 2.815 0.000 -3.735) 4.677 8.532 ( 7.097 0.000 -7.461) 10.297 8.801 ( 3.904 0.000 4.131) 5.684 8.845 ( -0.868 0.000 2.684) 2.820 8.882 ( 3.601 0.000 -2.617) 4.451 8.928 ( -1.361 0.000 -4.236) 4.450 9.472 ( -10.503 0.000 2.423) 10.778 9.549 ( -17.127 0.000 -4.628) 17.742 9.580 ( -2.997 0.000 2.355) 3.812 9.604 ( -5.504 0.000 -0.237) 5.509 10.186 ( -0.896 0.000 0.609) 1.084 10.235 ( -5.466 0.000 -4.966) 7.385 11.000 ( 8.324 0.000 12.156) 14.732 11.144 ( -5.654 0.000 8.026) 9.817 11.153 ( 0.139 0.000 5.092) 5.094 11.229 ( -7.215 0.000 -3.335) 7.949 11.309 ( 5.564 0.000 -15.298) 16.279 11.421 ( -5.208 0.000 -16.082) 16.904 12.057 ( 8.397 0.000 14.509) 16.764 12.188 ( -4.167 0.000 7.812) 8.854 12.380 ( 10.298 0.000 -1.486) 10.405 12.514 ( -1.666 0.000 -9.522) 9.666 13.014 ( 6.732 0.000 0.847) 6.785 13.106 ( -2.789 0.000 -9.060) 9.479 13.747 ( 2.796 0.000 0.098) 2.797 13.773 ( 1.204 0.000 20.854) 20.888 13.781 ( -0.453 0.000 -3.650) 3.678 13.797 ( -1.182 0.000 20.366) 20.400 14.118 ( 0.826 0.000 -16.443) 16.464 14.135 ( -0.819 0.000 -16.095) 16.116 14.886 ( 1.192 0.000 3.932) 4.108 14.918 ( -1.091 0.000 1.037) 1.505 15.319 ( 0.357 0.000 1.469) 1.512 15.400 ( -6.092 0.000 -6.180) 8.678 15.807 ( 8.397 0.000 6.124) 10.393 15.878 ( 3.935 0.000 -1.886) 4.363 16.145 ( -2.257 0.000 9.490) 9.754 16.271 ( -12.135 0.000 -4.229) 12.851 18.392 ( 7.281 0.000 23.151) 24.268 18.555 ( -8.206 0.000 10.473) 13.305 19.696 ( 0.059 0.000 2.087) 2.087 19.698 ( -0.082 0.000 2.065) 2.067 19.737 ( 0.072 0.000 -2.007) 2.009 19.738 ( -0.046 0.000 -2.004) 2.004 20.015 ( -1.687 0.000 -1.797) 2.465 20.166 ( -14.081 0.000 -14.379) 20.125 21.184 ( 0.087 0.000 10.611) 10.611 21.279 ( -8.462 0.000 3.724) 9.245 21.390 ( -0.651 0.000 -5.238) 5.278 21.438 ( -5.728 0.000 -7.249) 9.239 24.620 ( 8.210 0.000 5.049) 9.638 24.718 ( -1.492 0.000 -5.259) 5.466 26.032 ( 8.080 0.000 -0.593) 8.102 26.084 ( 3.075 0.000 -6.001) 6.743 ======================= Grid point 155 (52/72) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 14.709 22.431) 26.824 1.226 ( 0.000 2.668 28.908) 29.031 1.557 ( 0.000 10.017 -23.495) 25.541 1.737 ( 0.000 -1.599 -26.142) 26.191 2.316 ( 0.000 27.047 35.151) 44.353 2.495 ( 0.000 2.959 8.966) 9.442 2.568 ( 0.000 0.782 -3.030) 3.130 2.724 ( 0.000 12.070 7.364) 14.139 2.815 ( 0.000 10.473 -5.853) 11.997 2.897 ( 0.000 11.945 -13.896) 18.324 2.906 ( 0.000 2.388 6.674) 7.088 2.966 ( 0.000 6.996 -2.132) 7.313 3.018 ( 0.000 1.278 -2.479) 2.789 3.036 ( 0.000 3.847 -8.341) 9.186 3.257 ( 0.000 9.487 1.540) 9.611 3.273 ( 0.000 6.725 0.155) 6.726 3.435 ( 0.000 3.720 5.823) 6.910 3.550 ( 0.000 -0.451 -6.460) 6.476 3.721 ( 0.000 -3.605 8.141) 8.903 3.891 ( 0.000 -2.019 -9.574) 9.785 4.267 ( 0.000 -0.561 10.379) 10.394 4.473 ( 0.000 -0.160 -11.345) 11.346 4.724 ( 0.000 -3.326 9.429) 9.999 4.916 ( 0.000 -1.730 -10.669) 10.809 5.301 ( 0.000 25.798 1.961) 25.873 5.334 ( 0.000 27.562 -1.684) 27.613 5.478 ( 0.000 23.630 2.945) 23.813 5.533 ( 0.000 24.903 -2.915) 25.073 5.838 ( 0.000 5.270 4.280) 6.790 5.932 ( 0.000 3.298 -5.446) 6.367 6.591 ( 0.000 -6.506 3.387) 7.334 6.597 ( 0.000 -3.569 1.618) 3.918 7.042 ( 0.000 -0.102 2.189) 2.191 7.091 ( 0.000 -0.054 -2.635) 2.635 7.351 ( 0.000 1.370 0.362) 1.417 7.363 ( 0.000 2.425 -0.566) 2.490 7.652 ( 0.000 -2.128 4.593) 5.062 7.775 ( 0.000 -4.271 -9.624) 10.529 8.081 ( 0.000 3.309 9.829) 10.371 8.197 ( 0.000 9.429 -2.451) 9.742 8.306 ( 0.000 20.642 -7.168) 21.851 8.329 ( 0.000 8.999 -7.966) 12.018 8.405 ( 0.000 -8.186 3.362) 8.850 8.469 ( 0.000 -10.233 -4.393) 11.136 8.781 ( 0.000 8.216 3.765) 9.037 8.857 ( 0.000 7.220 -4.355) 8.432 8.964 ( 0.000 8.349 5.033) 9.749 9.045 ( 0.000 7.942 -4.223) 8.995 9.709 ( 0.000 -2.287 6.822) 7.195 9.732 ( 0.000 -3.212 6.847) 7.563 9.981 ( 0.000 5.411 5.548) 7.750 10.106 ( 0.000 0.614 -2.488) 2.563 10.234 ( 0.000 6.900 3.061) 7.548 10.330 ( 0.000 4.582 -3.969) 6.062 11.124 ( 0.000 -7.830 4.026) 8.804 11.134 ( 0.000 -8.082 5.243) 9.634 11.274 ( 0.000 7.250 -4.455) 8.510 11.337 ( 0.000 22.478 -12.728) 25.832 11.540 ( 0.000 1.613 -4.238) 4.534 11.619 ( 0.000 5.048 -9.475) 10.736 11.944 ( 0.000 11.889 2.550) 12.160 12.016 ( 0.000 13.451 -5.413) 14.499 12.378 ( 0.000 3.500 3.731) 5.116 12.430 ( 0.000 6.361 -2.306) 6.766 12.750 ( 0.000 -1.644 17.810) 17.886 13.103 ( 0.000 -8.085 -19.090) 20.731 13.278 ( 0.000 -25.972 11.488) 28.399 13.433 ( 0.000 -25.674 18.618) 31.714 13.493 ( 0.000 -18.274 -14.273) 23.187 13.766 ( 0.000 -25.255 -17.373) 30.653 13.966 ( 0.000 5.266 11.075) 12.264 14.192 ( 0.000 2.144 -13.088) 13.262 14.920 ( 0.000 0.400 2.274) 2.309 14.968 ( 0.000 3.338 -3.562) 4.881 15.606 ( 0.000 19.171 7.625) 20.631 15.649 ( 0.000 8.262 5.096) 9.707 15.833 ( 0.000 18.934 -3.903) 19.332 15.845 ( 0.000 9.256 -3.378) 9.853 16.311 ( 0.000 -1.270 17.418) 17.464 16.587 ( 0.000 -2.673 -12.538) 12.820 18.174 ( 0.000 -7.283 16.822) 18.331 18.464 ( 0.000 -19.717 -14.001) 24.183 18.820 ( 0.000 -50.782 9.701) 51.700 18.941 ( 0.000 -48.167 -4.571) 48.383 19.540 ( 0.000 -12.789 10.912) 16.812 19.769 ( 0.000 1.244 -13.694) 13.750 20.893 ( 0.000 19.118 4.289) 19.593 20.918 ( 0.000 7.138 2.738) 7.645 21.691 ( 0.000 24.915 2.372) 25.027 21.741 ( 0.000 22.131 -3.066) 22.343 22.095 ( 0.000 15.638 6.144) 16.802 22.239 ( 0.000 20.708 -10.401) 23.174 24.174 ( 0.000 -2.365 9.013) 9.318 24.375 ( 0.000 -4.514 -12.750) 13.526 25.466 ( 0.000 -11.005 12.939) 16.986 25.667 ( 0.000 -13.575 -8.653) 16.098 ======================= Grid point 156 (53/72) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 11.549 11.094 18.762) 24.667 1.368 ( 13.998 3.977 24.893) 28.835 1.641 ( 6.928 7.714 -20.105) 22.621 1.825 ( 7.899 1.288 -23.237) 24.577 2.325 ( -8.263 6.561 12.622) 16.451 2.439 ( 1.324 11.950 14.789) 19.059 2.514 ( -2.525 8.099 5.945) 10.359 2.568 ( -11.003 10.104 9.055) 17.469 2.715 ( -8.523 9.664 -6.391) 14.383 2.862 ( -1.426 3.996 2.135) 4.750 2.907 ( -3.923 2.436 0.989) 4.723 2.980 ( 4.592 6.771 0.462) 8.194 3.064 ( 7.258 12.605 -15.212) 21.047 3.082 ( 0.352 5.634 -3.601) 6.696 3.271 ( 1.939 7.231 1.974) 7.742 3.298 ( 1.917 7.311 -0.613) 7.583 3.485 ( 3.649 1.315 4.119) 5.658 3.608 ( 2.834 -0.753 -8.317) 8.819 3.721 ( -2.126 -0.880 8.852) 9.146 3.896 ( -1.526 -1.710 -8.741) 9.036 4.226 ( -2.249 0.819 10.188) 10.466 4.386 ( -5.618 0.358 -4.766) 7.376 4.757 ( 2.472 -3.019 4.091) 5.654 4.901 ( -1.355 -2.036 -9.334) 9.649 5.312 ( 1.216 26.147 2.285) 26.275 5.355 ( 1.896 27.313 -2.407) 27.484 5.468 ( -1.302 24.950 2.509) 25.109 5.516 ( -1.717 25.844 -2.711) 26.043 5.908 ( 6.306 3.153 3.190) 7.738 5.989 ( 4.620 2.173 -5.331) 7.382 6.506 ( -5.553 -1.960 4.351) 7.321 6.538 ( -4.984 -2.095 0.705) 5.452 7.135 ( 6.159 -1.698 2.543) 6.876 7.195 ( 5.619 -3.173 -3.543) 7.361 7.438 ( 7.269 -0.323 1.840) 7.505 7.464 ( 9.999 -2.016 -1.452) 10.303 7.723 ( 6.575 -2.543 3.636) 7.932 7.826 ( 4.553 -5.195 -7.739) 10.374 8.044 ( -2.036 2.433 6.570) 7.296 8.125 ( -7.051 1.592 -1.852) 7.462 8.299 ( 2.555 11.413 0.359) 11.701 8.336 ( -0.327 8.964 -4.987) 10.263 8.452 ( 1.750 -2.576 -2.146) 3.782 8.507 ( 7.288 7.110 -8.983) 13.577 8.814 ( 2.511 5.750 3.776) 7.323 8.883 ( 1.115 5.234 -3.218) 6.245 8.969 ( 1.366 11.605 4.132) 12.394 9.040 ( -0.697 9.382 -3.614) 10.078 9.581 ( -9.162 -3.740 9.936) 14.024 9.691 ( -6.957 -1.807 -1.959) 7.450 9.893 ( -7.150 8.123 6.402) 12.574 10.030 ( -9.196 9.299 -7.805) 15.230 10.236 ( 2.585 1.411 7.323) 7.893 10.321 ( -2.551 7.231 -1.909) 7.902 11.069 ( -4.183 -4.149 5.705) 8.201 11.119 ( -1.034 -7.412 3.443) 8.238 11.203 ( -7.988 6.367 -4.861) 11.313 11.221 ( -4.337 4.303 -9.200) 11.044 11.516 ( -4.446 8.135 -4.337) 10.235 11.557 ( -4.793 8.676 -8.823) 13.270 11.991 ( 5.704 8.345 8.780) 13.389 12.163 ( 8.526 6.388 -7.745) 13.171 12.363 ( 1.055 5.719 9.067) 10.771 12.519 ( 6.353 4.681 -7.199) 10.682 12.844 ( 7.554 -1.697 10.055) 12.690 13.087 ( -1.239 -7.104 -13.762) 15.537 13.291 ( 1.137 -26.633 9.602) 28.334 13.376 ( -2.951 -26.674 8.739) 28.224 13.574 ( 4.961 -17.603 -3.319) 18.587 13.746 ( -1.794 -22.387 -10.124) 24.635 14.009 ( 3.975 3.424 3.624) 6.377 14.187 ( -0.608 1.931 -12.617) 12.778 14.947 ( 2.366 2.730 2.115) 4.186 14.997 ( 2.520 5.776 -3.314) 7.120 15.581 ( -3.690 15.837 10.259) 19.227 15.701 ( 3.750 9.797 2.148) 10.708 15.777 ( -3.660 16.276 -0.256) 16.685 15.856 ( 2.413 9.096 -4.199) 10.305 16.253 ( -4.982 0.114 15.238) 16.032 16.488 ( -9.287 -1.870 -10.281) 13.980 18.195 ( 2.135 -8.309 16.699) 18.773 18.435 ( -2.927 -19.574 -6.216) 20.745 18.828 ( 0.857 -48.587 5.383) 48.892 18.930 ( -1.104 -47.726 -4.761) 47.975 19.561 ( 2.122 -11.470 10.946) 15.996 19.769 ( -0.417 1.104 -10.171) 10.239 20.729 ( -13.119 10.571 10.508) 19.857 20.901 ( -5.656 11.657 -6.687) 14.581 21.648 ( -9.379 27.147 4.620) 29.091 21.681 ( -3.730 23.886 2.555) 24.310 21.767 ( -17.150 26.176 2.518) 31.395 21.916 ( -19.426 24.272 -9.459) 32.495 24.340 ( 12.660 -4.850 10.871) 17.378 24.576 ( 9.754 -6.467 -14.744) 18.824 25.639 ( 14.064 -13.652 5.961) 20.486 25.768 ( 8.471 -15.029 -7.040) 18.633 ======================= Grid point 157 (54/72) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 14.837 7.861 12.065) 20.676 1.671 ( 12.958 4.832 13.093) 19.045 1.757 ( 1.854 6.750 -7.027) 9.918 1.883 ( -6.949 4.515 -0.887) 8.334 2.220 ( 5.139 4.522 -2.977) 7.465 2.296 ( -7.132 4.992 -1.944) 8.920 2.331 ( -9.176 5.429 -4.077) 11.415 2.428 ( -11.904 5.718 -7.577) 15.225 2.817 ( 4.093 5.011 10.453) 12.294 2.848 ( -1.342 4.113 5.702) 7.157 2.914 ( 15.997 11.378 12.887) 23.483 3.054 ( 4.202 7.522 3.898) 9.457 3.063 ( -0.996 5.421 1.046) 5.611 3.274 ( 9.974 8.554 -11.091) 17.195 3.303 ( -0.183 6.456 1.337) 6.595 3.338 ( 2.903 7.955 -3.869) 9.310 3.446 ( -17.337 8.395 7.205) 20.566 3.508 ( -6.059 2.103 -0.541) 6.436 3.687 ( 3.675 0.624 -4.444) 5.800 3.797 ( -6.984 1.998 -10.739) 12.965 4.259 ( 3.996 -1.760 6.538) 7.862 4.319 ( -1.981 -2.151 1.670) 3.368 4.811 ( 3.022 -1.835 -0.996) 3.673 4.867 ( -2.238 -2.164 -5.789) 6.573 5.352 ( 2.769 25.953 2.364) 26.207 5.394 ( 0.852 26.289 -1.229) 26.331 5.430 ( -1.200 27.672 0.593) 27.704 5.468 ( -2.906 27.667 -2.594) 27.940 6.039 ( 5.336 0.301 0.378) 5.358 6.069 ( 2.326 0.456 -2.951) 3.785 6.422 ( -2.190 0.077 3.933) 4.502 6.443 ( -3.868 -0.436 1.619) 4.216 7.219 ( 2.521 -1.322 -0.088) 2.848 7.246 ( 0.026 -2.444 -2.743) 3.674 7.568 ( 3.901 -0.975 2.565) 4.770 7.595 ( 1.499 -0.910 -0.466) 1.814 7.871 ( 5.767 -6.354 0.285) 8.585 7.899 ( 1.804 -6.400 -2.179) 6.997 8.046 ( 2.573 0.069 2.718) 3.743 8.093 ( 4.172 -3.198 -2.468) 5.807 8.246 ( -4.895 1.339 1.350) 5.252 8.298 ( -4.675 -0.200 -3.635) 5.925 8.635 ( 14.769 14.110 1.559) 20.486 8.735 ( 12.049 17.266 -8.311) 22.635 8.834 ( -1.310 -0.000 2.399) 2.733 8.876 ( -1.311 5.607 -1.403) 5.926 9.020 ( 2.347 12.394 0.926) 12.649 9.031 ( 0.341 10.949 -0.643) 10.973 9.382 ( -9.217 -2.921 3.300) 10.216 9.442 ( -14.516 -2.648 -2.683) 14.997 9.793 ( -1.776 13.680 1.421) 13.867 9.848 ( -7.152 14.927 -3.974) 17.022 10.260 ( -0.302 4.866 1.139) 5.007 10.266 ( -1.480 8.258 0.480) 8.404 11.009 ( -0.570 -1.986 5.791) 6.149 11.061 ( -5.414 -1.502 2.533) 6.164 11.130 ( 2.153 -6.350 -0.219) 6.709 11.176 ( -1.482 -6.612 -8.399) 10.791 11.426 ( -2.173 10.923 -3.984) 11.829 11.460 ( -4.459 8.717 -8.082) 12.696 12.114 ( 5.863 3.689 11.006) 13.005 12.207 ( -2.892 1.751 5.281) 6.271 12.483 ( 8.407 6.410 -0.981) 10.618 12.588 ( -0.928 3.955 -9.090) 9.956 12.989 ( 6.028 -2.596 1.855) 6.820 13.062 ( -1.699 -4.580 -5.298) 7.206 13.312 ( 0.870 -27.938 7.148) 28.851 13.332 ( -1.458 -28.372 6.769) 29.205 13.655 ( 3.055 -16.949 0.837) 17.242 13.704 ( -2.258 -18.961 -0.761) 19.110 14.098 ( 4.260 1.838 -5.588) 7.264 14.162 ( -2.112 1.561 -10.503) 10.826 15.000 ( 2.712 7.562 3.079) 8.603 15.035 ( 0.133 9.565 0.463) 9.577 15.512 ( 0.074 12.826 3.445) 13.281 15.612 ( -7.915 14.394 -6.278) 17.585 15.869 ( 7.736 7.391 6.736) 12.643 15.939 ( 3.136 7.754 -1.438) 8.487 16.160 ( -2.008 1.571 9.437) 9.776 16.271 ( -10.792 0.365 -2.968) 11.199 18.258 ( 4.219 -11.605 15.098) 19.504 18.353 ( -4.934 -16.566 7.796) 18.962 18.857 ( 1.981 -46.088 -1.869) 46.168 18.898 ( -1.984 -46.570 -4.752) 46.854 19.627 ( 4.538 -7.421 10.145) 13.363 19.725 ( -4.358 -1.720 2.591) 5.353 20.538 ( -1.548 11.049 -1.797) 11.301 20.682 ( -13.227 11.825 -13.941) 22.564 21.484 ( -1.116 30.999 8.980) 32.293 21.552 ( -7.004 28.055 3.769) 29.160 21.658 ( -0.389 25.153 -3.959) 25.466 21.696 ( -4.721 25.124 -6.570) 26.394 24.555 ( 8.043 -6.028 4.991) 11.222 24.649 ( -1.266 -6.417 -4.993) 8.229 25.870 ( 7.329 -15.382 -0.490) 17.046 25.908 ( 3.515 -16.290 -4.148) 17.173 ======================= Grid point 160 (55/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 20.129 13.986) 24.511 1.505 ( 0.000 21.172 14.949) 25.918 1.822 ( 0.000 10.740 -20.414) 23.067 1.832 ( 0.000 16.698 -18.226) 24.719 2.584 ( 0.000 8.032 3.032) 8.585 2.628 ( 0.000 5.404 -1.650) 5.650 2.918 ( 0.000 26.508 23.107) 35.165 2.979 ( 0.000 12.737 5.875) 14.027 2.997 ( 0.000 7.051 7.951) 10.627 3.002 ( 0.000 6.706 3.492) 7.561 3.062 ( 0.000 9.116 -3.582) 9.794 3.075 ( 0.000 5.772 0.944) 5.849 3.111 ( 0.000 6.548 -4.885) 8.169 3.303 ( 0.000 15.860 -9.706) 18.594 3.373 ( 0.000 0.967 5.132) 5.222 3.456 ( 0.000 6.242 -3.508) 7.160 3.524 ( 0.000 7.773 0.459) 7.787 3.584 ( 0.000 9.063 -8.975) 12.755 3.767 ( 0.000 7.663 7.602) 10.794 3.929 ( 0.000 6.084 -8.261) 10.260 4.283 ( 0.000 2.358 10.399) 10.663 4.495 ( 0.000 2.581 -11.590) 11.874 4.679 ( 0.000 -1.395 9.778) 9.877 4.880 ( 0.000 -1.900 -11.175) 11.335 5.739 ( 0.000 12.692 1.705) 12.806 5.784 ( 0.000 12.035 -2.823) 12.362 6.002 ( 0.000 16.347 4.514) 16.959 6.056 ( 0.000 8.243 -0.987) 8.302 6.120 ( 0.000 31.166 0.815) 31.177 6.145 ( 0.000 32.904 -2.387) 32.991 6.562 ( 0.000 5.455 2.923) 6.189 6.599 ( 0.000 6.262 -1.068) 6.353 7.051 ( 0.000 1.358 2.064) 2.471 7.093 ( 0.000 0.761 -2.148) 2.278 7.410 ( 0.000 4.877 2.953) 5.702 7.475 ( 0.000 8.911 -4.028) 9.779 7.638 ( 0.000 1.256 -0.544) 1.369 7.687 ( 0.000 -3.698 -6.339) 7.339 8.173 ( 0.000 5.921 7.655) 9.678 8.261 ( 0.000 0.024 -1.131) 1.131 8.264 ( 0.000 -2.329 0.104) 2.331 8.329 ( 0.000 -1.547 -7.554) 7.710 8.664 ( 0.000 17.800 -0.216) 17.801 8.732 ( 0.000 16.462 -7.071) 17.916 8.939 ( 0.000 10.233 1.040) 10.286 8.976 ( 0.000 5.232 -1.866) 5.555 9.197 ( 0.000 15.596 6.555) 16.918 9.285 ( 0.000 16.128 -2.976) 16.401 9.718 ( 0.000 4.168 6.540) 7.756 9.732 ( 0.000 3.713 5.848) 6.927 10.092 ( 0.000 7.743 7.785) 10.980 10.248 ( 0.000 12.028 -7.708) 14.286 10.478 ( 0.000 13.239 2.322) 13.441 10.537 ( 0.000 12.966 -3.171) 13.348 10.993 ( 0.000 -2.200 0.217) 2.211 10.996 ( 0.000 -4.110 0.709) 4.171 11.356 ( 0.000 0.623 4.244) 4.290 11.477 ( 0.000 -1.922 -7.764) 7.998 11.532 ( 0.000 -6.657 4.248) 7.897 11.760 ( 0.000 -1.132 -20.116) 20.148 12.133 ( 0.000 3.884 7.300) 8.269 12.265 ( 0.000 7.306 -6.425) 9.730 12.458 ( 0.000 2.723 2.942) 4.009 12.474 ( 0.000 -4.350 0.027) 4.350 12.676 ( 0.000 -5.579 12.836) 13.996 12.745 ( 0.000 -21.594 18.081) 28.164 12.756 ( 0.000 -20.273 -1.245) 20.311 13.026 ( 0.000 -9.928 17.336) 19.978 13.241 ( 0.000 -8.109 -31.422) 32.451 13.442 ( 0.000 -1.415 -27.137) 27.174 14.004 ( 0.000 -0.587 8.513) 8.533 14.198 ( 0.000 -1.063 -12.903) 12.947 14.900 ( 0.000 -1.881 6.526) 6.792 15.022 ( 0.000 2.114 -7.142) 7.449 15.736 ( 0.000 0.137 11.804) 11.804 15.901 ( 0.000 7.775 -4.868) 9.174 16.112 ( 0.000 15.155 3.524) 15.559 16.159 ( 0.000 9.075 1.773) 9.246 16.315 ( 0.000 1.826 12.690) 12.820 16.530 ( 0.000 -2.511 -9.795) 10.112 17.958 ( 0.000 -14.806 3.679) 15.256 18.039 ( 0.000 -22.290 -4.459) 22.732 18.102 ( 0.000 -17.728 0.383) 17.732 18.122 ( 0.000 -29.674 -1.932) 29.737 19.279 ( 0.000 -12.034 24.845) 27.606 19.741 ( 0.000 -3.976 -24.853) 25.169 20.768 ( 0.000 -17.065 16.451) 23.703 20.944 ( 0.000 -9.426 -3.724) 10.135 22.254 ( 0.000 28.476 0.150) 28.477 22.256 ( 0.000 26.074 -0.099) 26.074 22.503 ( 0.000 20.017 4.606) 20.540 22.595 ( 0.000 11.380 -5.116) 12.477 24.182 ( 0.000 3.707 3.090) 4.826 24.294 ( 0.000 -2.370 -8.811) 9.124 25.173 ( 0.000 -17.397 10.170) 20.152 25.326 ( 0.000 -19.588 -6.306) 20.578 ======================= Grid point 161 (56/72) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 9.122 17.448 14.312) 24.341 1.618 ( 9.687 18.583 11.608) 23.956 1.861 ( 4.725 14.090 -14.547) 20.796 1.948 ( 9.070 11.089 -19.665) 24.330 2.471 ( -10.003 9.685 5.015) 14.799 2.561 ( -6.483 6.727 -4.370) 10.314 2.739 ( -13.599 8.050 5.687) 16.796 2.829 ( -12.186 8.211 -1.954) 14.823 2.963 ( -0.740 11.690 8.817) 14.661 2.988 ( -1.590 9.282 2.072) 9.642 3.077 ( 3.538 17.017 9.929) 20.017 3.138 ( 5.020 11.334 7.343) 14.408 3.201 ( 1.389 5.778 -2.250) 6.354 3.367 ( 5.333 9.293 -5.289) 11.949 3.404 ( 3.323 7.445 0.536) 8.171 3.450 ( 2.049 7.907 -1.971) 8.402 3.564 ( 1.942 8.239 0.771) 8.500 3.659 ( 4.995 8.396 -9.908) 13.915 3.784 ( 0.661 7.050 8.288) 10.901 3.945 ( 0.822 6.573 -7.048) 9.672 4.266 ( -1.251 3.301 9.037) 9.702 4.425 ( -5.879 3.792 -4.998) 8.597 4.710 ( 2.706 -1.891 3.777) 5.016 4.861 ( -1.658 -2.024 -10.065) 10.399 5.783 ( 3.724 14.096 1.302) 14.638 5.819 ( 3.539 12.329 -2.431) 13.055 6.022 ( 1.457 14.653 2.391) 14.918 6.044 ( -1.714 14.180 0.043) 14.283 6.145 ( 2.256 27.043 0.417) 27.140 6.163 ( 2.085 31.638 -1.956) 31.767 6.526 ( -3.367 5.954 2.678) 7.346 6.557 ( -3.968 7.303 -0.675) 8.339 7.123 ( 6.012 0.725 2.147) 6.425 7.162 ( 5.618 -0.184 -1.744) 5.885 7.463 ( 5.041 2.013 1.823) 5.726 7.501 ( 2.856 6.702 -2.240) 7.621 7.682 ( 4.017 -1.639 -0.792) 4.410 7.735 ( 4.084 -2.685 -6.381) 8.038 8.131 ( -3.660 6.134 3.623) 8.009 8.159 ( -5.974 4.272 0.150) 7.346 8.286 ( 0.449 -2.912 -0.503) 2.989 8.336 ( 0.330 0.953 -5.023) 5.123 8.711 ( 4.703 13.921 1.705) 14.792 8.806 ( 4.581 12.742 -7.879) 15.666 8.943 ( 2.256 10.627 3.385) 11.379 9.011 ( 3.230 9.490 -3.741) 10.700 9.234 ( 2.930 14.068 6.225) 15.661 9.312 ( 1.950 16.574 -1.903) 16.796 9.579 ( -9.168 3.877 9.515) 13.770 9.715 ( -5.771 6.146 -4.279) 9.454 10.061 ( -1.892 10.050 9.429) 13.911 10.225 ( -2.662 11.560 -8.299) 14.477 10.444 ( -1.891 12.500 5.551) 13.807 10.545 ( -1.658 12.382 -4.572) 13.303 10.950 ( -2.646 -3.047 4.182) 5.812 10.999 ( 0.783 -1.698 -1.325) 2.292 11.253 ( -8.348 1.597 0.202) 8.502 11.302 ( -10.872 0.757 -5.315) 12.125 11.579 ( -0.100 -5.135 1.732) 5.420 11.727 ( -4.013 -0.141 -14.712) 15.251 12.131 ( 0.355 2.879 9.881) 10.298 12.304 ( 2.034 5.484 -6.157) 8.493 12.389 ( -3.670 -7.517 5.891) 10.231 12.486 ( 0.987 -8.147 -3.225) 8.817 12.731 ( 1.512 -17.764 5.627) 18.695 12.757 ( 1.183 -22.078 5.168) 22.706 12.819 ( 7.150 -5.920 11.080) 14.455 12.985 ( -1.766 -6.808 8.875) 11.324 13.315 ( 5.294 -7.630 -19.215) 21.342 13.456 ( 0.748 -1.154 -22.038) 22.081 14.033 ( 2.690 -1.047 4.476) 5.326 14.186 ( -1.196 -1.499 -11.962) 12.114 14.969 ( 6.304 -0.182 6.425) 9.003 15.093 ( 6.468 3.668 -7.134) 10.304 15.711 ( -3.359 -0.379 11.944) 12.413 15.889 ( -1.951 5.566 -5.287) 7.921 16.082 ( -1.998 14.318 4.517) 15.146 16.138 ( -0.479 10.703 1.314) 10.794 16.285 ( -2.969 2.846 11.407) 12.126 16.459 ( -6.557 -0.475 -7.183) 9.738 17.970 ( 1.167 -14.623 3.510) 15.084 18.045 ( 0.364 -19.288 -3.647) 19.634 18.091 ( -0.757 -22.067 0.211) 22.081 18.119 ( -0.382 -28.774 -2.385) 28.875 19.322 ( 4.312 -11.360 24.379) 27.239 19.731 ( -1.754 -4.726 -17.275) 17.995 20.620 ( -11.270 -14.643 14.843) 23.701 20.864 ( -8.583 -10.943 -9.556) 16.874 22.204 ( -4.585 26.361 3.401) 26.972 22.239 ( -1.416 28.674 -0.169) 28.709 22.361 ( -9.473 27.436 2.481) 29.131 22.449 ( -10.603 21.614 -6.365) 24.902 24.258 ( 7.865 -2.089 8.051) 11.447 24.436 ( 7.223 -6.342 -11.142) 14.715 25.289 ( 10.150 -19.841 6.453) 23.202 25.398 ( 6.160 -20.737 -5.051) 22.214 ======================= Grid point 162 (57/72) ======================= q-point: ( 0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 13.286 16.197 8.299) 22.533 1.833 ( 10.435 11.502 7.851) 17.402 1.951 ( 1.811 12.361 -3.616) 13.006 2.060 ( -4.610 12.340 -4.690) 13.983 2.318 ( 1.126 6.742 -3.455) 7.658 2.420 ( -5.586 8.184 -8.749) 13.218 2.501 ( -7.922 10.021 1.364) 12.847 2.576 ( -11.864 7.970 -6.088) 15.535 2.947 ( -0.462 8.516 3.868) 9.365 2.955 ( -1.202 7.333 2.443) 7.822 3.136 ( 2.306 7.976 6.092) 10.298 3.180 ( -2.085 5.917 0.735) 6.316 3.329 ( 12.553 17.647 11.100) 24.335 3.455 ( 2.268 7.754 1.646) 8.245 3.479 ( 1.948 9.582 -3.622) 10.427 3.493 ( 1.414 8.045 -1.412) 8.290 3.586 ( 0.697 7.805 4.473) 9.023 3.672 ( -7.097 12.508 7.230) 16.096 3.803 ( 5.224 11.151 -7.611) 14.476 3.917 ( -4.290 9.478 -8.232) 13.266 4.266 ( 1.522 2.790 5.229) 6.120 4.319 ( -3.938 2.789 1.293) 4.996 4.770 ( 3.049 -2.275 -2.204) 4.396 4.822 ( -2.209 -2.354 -6.686) 7.424 5.868 ( 4.951 17.514 2.059) 18.317 5.918 ( 5.518 14.934 -3.289) 16.257 5.974 ( -4.628 16.592 1.878) 17.327 6.016 ( -3.028 12.198 -2.478) 12.810 6.204 ( 3.451 29.876 0.670) 30.082 6.222 ( 2.320 27.061 -1.288) 27.190 6.452 ( -2.945 4.614 2.390) 5.973 6.465 ( -4.099 5.673 0.941) 7.062 7.230 ( 3.722 2.556 1.161) 4.663 7.249 ( 2.010 2.289 -0.655) 3.116 7.568 ( 3.744 -1.232 0.743) 4.011 7.572 ( 2.993 0.671 0.438) 3.099 7.775 ( 4.537 -2.361 -1.937) 5.469 7.805 ( 1.920 -2.992 -4.684) 5.880 8.049 ( -2.921 0.587 -0.593) 3.038 8.066 ( -3.717 0.762 -2.269) 4.421 8.313 ( 2.280 7.187 1.455) 7.679 8.343 ( -0.113 8.466 -1.663) 8.628 8.791 ( 1.719 2.720 1.444) 3.526 8.816 ( -1.739 1.993 -0.398) 2.675 9.099 ( 11.628 15.493 0.640) 19.382 9.142 ( 10.237 14.732 -4.338) 18.457 9.264 ( -1.155 9.692 6.545) 11.752 9.342 ( 0.603 19.944 4.745) 20.510 9.389 ( -8.849 4.138 -0.631) 9.789 9.510 ( -12.797 12.540 -6.690) 19.125 10.071 ( 3.042 14.609 3.616) 15.354 10.152 ( -4.343 15.890 -4.908) 17.188 10.416 ( -0.172 6.998 3.515) 7.834 10.465 ( -4.646 7.827 -1.191) 9.180 10.941 ( 2.022 -0.591 6.435) 6.771 11.014 ( -2.221 -0.169 -0.013) 2.227 11.108 ( -2.714 3.338 -4.108) 5.949 11.142 ( -4.510 2.112 -7.319) 8.853 11.558 ( -0.125 -0.865 -0.419) 0.969 11.618 ( -5.642 1.393 -7.208) 9.259 12.166 ( 3.292 -0.943 12.227) 12.698 12.251 ( -4.805 -0.054 10.113) 11.197 12.418 ( 3.664 -14.287 -7.986) 16.773 12.479 ( -1.964 -14.536 -8.071) 16.742 12.752 ( 0.862 -22.276 5.714) 23.013 12.764 ( -0.331 -23.498 4.436) 23.916 12.957 ( 4.979 -0.663 5.081) 7.144 12.990 ( 1.012 -1.026 4.444) 4.672 13.403 ( 3.335 -5.529 -10.314) 12.169 13.451 ( -1.445 -2.217 -12.652) 12.926 14.096 ( 3.237 -1.964 -3.067) 4.872 14.152 ( -2.315 -2.162 -8.773) 9.327 15.117 ( 7.632 3.710 6.453) 10.661 15.203 ( 1.396 6.204 -1.244) 6.480 15.645 ( 0.685 1.174 3.035) 3.326 15.777 ( -9.078 3.056 -9.302) 13.352 16.097 ( 4.008 10.443 9.240) 14.508 16.184 ( 4.399 10.679 -0.634) 11.567 16.201 ( -4.872 3.460 11.243) 12.732 16.310 ( -7.472 4.233 -1.521) 8.722 18.001 ( 1.834 -13.831 2.858) 14.242 18.036 ( -1.454 -12.900 0.876) 13.012 18.090 ( 0.690 -29.411 -2.843) 29.556 18.107 ( -0.829 -28.961 -3.123) 29.141 19.450 ( 8.443 -9.637 21.244) 24.808 19.631 ( -8.438 -7.262 6.872) 13.082 20.493 ( 1.044 -10.287 -3.947) 11.068 20.641 ( -11.727 -10.204 -14.827) 21.482 22.138 ( -0.664 29.669 6.614) 30.404 22.182 ( -4.289 30.321 5.156) 31.054 22.253 ( -0.618 29.687 -4.810) 30.081 22.294 ( -4.637 28.801 -6.195) 29.823 24.414 ( 6.505 -6.983 4.390) 10.505 24.492 ( -1.069 -8.293 -3.940) 9.244 25.472 ( 6.180 -22.579 0.526) 23.415 25.503 ( 2.831 -22.537 -2.507) 22.852 ======================= Grid point 165 (58/72) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.000 23.986 3.824) 24.289 1.944 ( 0.000 22.062 7.845) 23.415 2.134 ( 0.000 18.781 -10.538) 21.535 2.192 ( 0.000 18.454 -12.275) 22.164 2.765 ( 0.000 9.368 0.113) 9.369 2.769 ( 0.000 8.144 -0.403) 8.154 3.117 ( 0.000 4.766 5.359) 7.172 3.125 ( 0.000 5.993 3.352) 6.867 3.150 ( 0.000 4.448 4.817) 6.556 3.167 ( 0.000 8.340 2.466) 8.697 3.215 ( 0.000 6.387 -1.577) 6.579 3.260 ( 0.000 6.107 -5.871) 8.472 3.383 ( 0.000 2.935 1.961) 3.530 3.430 ( 0.000 1.390 -4.850) 5.045 3.523 ( 0.000 25.630 16.254) 30.349 3.630 ( 0.000 10.972 1.254) 11.043 3.744 ( 0.000 13.575 2.974) 13.897 3.885 ( 0.000 15.463 -7.569) 17.216 3.941 ( 0.000 8.288 6.896) 10.781 4.119 ( 0.000 12.355 -11.116) 16.620 4.363 ( 0.000 5.766 11.569) 12.926 4.577 ( 0.000 5.394 -11.265) 12.490 4.676 ( 0.000 1.485 6.622) 6.786 4.845 ( 0.000 -1.285 -10.254) 10.334 5.894 ( 0.000 5.302 -0.396) 5.316 5.897 ( 0.000 2.342 -0.574) 2.411 6.121 ( 0.000 -0.695 1.566) 1.714 6.142 ( 0.000 0.574 -0.689) 0.896 6.693 ( 0.000 17.565 0.588) 17.575 6.712 ( 0.000 20.643 -1.441) 20.693 6.781 ( 0.000 12.247 1.126) 12.299 6.803 ( 0.000 10.447 -1.106) 10.505 7.138 ( 0.000 9.414 1.954) 9.615 7.168 ( 0.000 8.026 -1.363) 8.141 7.547 ( 0.000 8.221 8.996) 12.187 7.613 ( 0.000 1.347 3.063) 3.346 7.730 ( 0.000 8.593 -8.654) 12.195 7.741 ( 0.000 11.919 -11.775) 16.755 8.252 ( 0.000 3.600 2.107) 4.171 8.287 ( 0.000 3.588 0.669) 3.650 8.377 ( 0.000 4.286 -1.974) 4.718 8.383 ( 0.000 11.582 -0.370) 11.588 8.872 ( 0.000 6.108 4.436) 7.549 8.920 ( 0.000 6.971 -0.961) 7.037 9.210 ( 0.000 16.429 2.926) 16.688 9.271 ( 0.000 18.538 -4.757) 19.139 9.572 ( 0.000 20.237 8.263) 21.859 9.697 ( 0.000 24.430 -4.026) 24.760 9.857 ( 0.000 9.319 3.272) 9.877 9.866 ( 0.000 8.972 2.189) 9.235 10.316 ( 0.000 14.250 12.585) 19.012 10.530 ( 0.000 15.257 -11.191) 18.921 10.662 ( 0.000 5.415 5.219) 7.521 10.741 ( 0.000 5.677 -2.224) 6.097 10.985 ( 0.000 2.565 -1.267) 2.861 11.034 ( 0.000 2.377 -6.124) 6.569 11.187 ( 0.000 -24.795 6.541) 25.643 11.321 ( 0.000 -4.356 2.758) 5.156 11.343 ( 0.000 -21.751 -9.232) 23.630 11.464 ( 0.000 -13.023 -11.904) 17.644 11.970 ( 0.000 -12.277 3.349) 12.726 12.015 ( 0.000 -19.994 -1.766) 20.072 12.498 ( 0.000 7.922 0.474) 7.936 12.502 ( 0.000 1.444 5.222) 5.418 12.562 ( 0.000 -1.373 20.713) 20.758 12.701 ( 0.000 6.311 2.005) 6.622 12.701 ( 0.000 9.602 4.492) 10.601 13.028 ( 0.000 7.634 25.654) 26.766 13.113 ( 0.000 -3.917 -32.569) 32.803 13.583 ( 0.000 10.434 -32.665) 34.291 13.972 ( 0.000 -2.164 7.788) 8.083 14.166 ( 0.000 -1.950 -13.992) 14.127 14.870 ( 0.000 -0.327 9.327) 9.333 15.056 ( 0.000 1.399 -10.639) 10.730 15.667 ( 0.000 -5.942 15.646) 16.736 15.951 ( 0.000 -1.678 -14.799) 14.894 16.211 ( 0.000 -2.769 6.811) 7.352 16.271 ( 0.000 -7.145 14.013) 15.729 16.292 ( 0.000 1.268 -2.205) 2.544 16.469 ( 0.000 -5.419 -7.637) 9.364 17.661 ( 0.000 -8.781 5.489) 10.355 17.791 ( 0.000 -8.449 6.046) 10.390 17.809 ( 0.000 1.610 -10.777) 10.896 17.910 ( 0.000 -5.273 -7.091) 8.837 19.085 ( 0.000 -6.989 30.102) 30.903 19.627 ( 0.000 -6.924 -28.428) 29.259 20.356 ( 0.000 -22.370 23.425) 32.390 20.652 ( 0.000 -17.880 -9.327) 20.167 22.615 ( 0.000 1.226 0.153) 1.236 22.618 ( 0.000 6.671 -0.067) 6.671 22.829 ( 0.000 18.456 1.364) 18.506 22.854 ( 0.000 16.611 -1.310) 16.663 24.296 ( 0.000 6.499 -1.238) 6.615 24.305 ( 0.000 3.121 -2.369) 3.919 24.810 ( 0.000 -17.834 7.108) 19.198 24.918 ( 0.000 -20.168 -4.696) 20.707 ======================= Grid point 166 (59/72) ======================= q-point: ( 0.20 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 4.038 20.281 8.409) 22.324 2.030 ( 6.170 21.377 2.541) 22.395 2.189 ( 4.431 17.895 -8.299) 20.217 2.229 ( 3.709 15.653 -11.922) 20.022 2.689 ( -7.639 11.057 2.121) 13.606 2.724 ( -4.576 8.858 -1.810) 10.133 2.883 ( -11.569 6.961 4.622) 14.271 2.960 ( -11.775 6.340 -2.725) 13.648 3.146 ( -1.150 9.090 2.483) 9.493 3.196 ( -3.115 9.526 -2.227) 10.267 3.261 ( -0.386 6.263 2.756) 6.853 3.296 ( 0.470 3.494 -0.523) 3.564 3.412 ( 6.207 2.433 2.226) 7.029 3.457 ( 6.324 4.695 -1.203) 7.968 3.621 ( 5.380 20.353 11.530) 24.003 3.701 ( 4.440 12.987 1.223) 13.780 3.776 ( 1.270 12.591 3.430) 13.111 3.901 ( 2.184 11.033 0.656) 11.266 3.962 ( 2.585 9.751 1.996) 10.283 4.138 ( 1.461 12.435 -10.105) 16.090 4.359 ( -0.269 6.047 10.003) 11.692 4.540 ( -3.809 7.494 -6.325) 10.520 4.688 ( 1.404 0.141 1.286) 1.909 4.824 ( -1.935 -1.321 -9.900) 10.173 5.918 ( 1.974 1.382 -0.189) 2.417 5.923 ( 2.515 3.646 -0.748) 4.493 6.140 ( 1.442 -0.471 0.650) 1.650 6.148 ( 0.502 0.447 -0.301) 0.737 6.685 ( -1.813 16.376 1.214) 16.521 6.695 ( -2.398 15.508 0.220) 15.694 6.822 ( 4.631 20.982 0.880) 21.505 6.848 ( 3.591 18.094 -1.862) 18.541 7.166 ( 3.697 3.844 1.273) 5.483 7.191 ( 2.916 3.921 -1.381) 5.078 7.543 ( -0.353 6.495 8.087) 10.378 7.651 ( 3.942 2.689 1.866) 5.124 7.712 ( -2.154 10.124 -8.907) 13.656 7.768 ( 2.814 6.606 -9.351) 11.790 8.233 ( -5.775 2.110 1.540) 6.338 8.255 ( -4.725 5.988 -0.883) 7.679 8.386 ( 6.584 11.638 3.857) 13.916 8.459 ( 7.511 11.464 -3.711) 14.199 8.897 ( 1.318 7.917 4.579) 9.241 8.953 ( 1.639 5.800 -0.290) 6.034 9.263 ( 3.529 17.764 0.961) 18.137 9.282 ( 2.917 13.998 -1.507) 14.378 9.555 ( -2.523 18.723 5.410) 19.652 9.647 ( -4.553 15.077 -3.957) 16.239 9.768 ( -2.669 15.736 9.155) 18.400 9.914 ( 0.203 11.323 -5.294) 12.501 10.321 ( 0.009 15.563 11.248) 19.202 10.501 ( -1.650 15.647 -8.541) 17.903 10.609 ( -4.612 5.989 4.361) 8.727 10.707 ( -5.768 3.115 -5.756) 8.724 10.954 ( -0.387 1.880 4.173) 4.594 11.047 ( 1.297 0.480 -5.302) 5.480 11.198 ( -0.195 -17.959 3.166) 18.237 11.260 ( -4.279 -2.589 0.751) 5.058 11.331 ( -2.554 -13.178 -4.700) 14.222 11.423 ( -2.539 -22.006 -12.223) 25.300 11.959 ( -0.805 -11.988 3.588) 12.539 12.012 ( -0.224 -18.315 -1.846) 18.409 12.328 ( -9.181 -1.929 9.295) 13.206 12.413 ( -7.514 0.462 -0.763) 7.567 12.644 ( 1.128 8.223 11.380) 14.085 12.685 ( -1.136 10.306 9.231) 13.883 12.805 ( 7.481 1.359 2.333) 7.953 12.952 ( -0.402 -0.367 3.037) 3.085 13.266 ( 8.889 3.267 -10.936) 14.467 13.576 ( -1.054 9.044 -27.616) 29.078 13.994 ( 2.138 -2.122 3.588) 4.685 14.145 ( -1.946 -2.309 -12.610) 12.966 14.963 ( 8.527 0.313 9.296) 12.619 15.148 ( 8.195 1.990 -10.080) 13.143 15.643 ( -2.379 -5.374 14.459) 15.607 15.918 ( -3.687 -1.855 -14.426) 15.004 16.188 ( -2.014 -1.997 7.074) 7.622 16.238 ( -2.769 -4.215 10.552) 11.695 16.291 ( 0.144 -1.398 0.478) 1.485 16.436 ( -2.968 -4.343 -6.609) 8.447 17.667 ( 0.665 -8.780 5.417) 10.338 17.758 ( -2.103 -5.988 2.513) 6.826 17.834 ( 1.390 -1.922 -6.683) 7.092 17.903 ( -0.678 -4.784 -7.363) 8.807 19.130 ( 4.602 -7.293 29.422) 30.660 19.601 ( -3.437 -7.676 -17.389) 19.316 20.265 ( -6.319 -19.353 16.150) 25.986 20.568 ( -8.099 -17.283 -12.949) 23.065 22.580 ( -0.977 8.568 3.574) 9.335 22.648 ( 1.353 6.529 -3.687) 7.620 22.788 ( -4.356 18.400 1.594) 18.976 22.816 ( -2.869 17.931 -1.373) 18.211 24.274 ( 0.843 3.155 3.571) 4.839 24.357 ( 1.567 -1.421 -5.276) 5.684 24.897 ( 7.484 -18.209 4.851) 20.275 24.978 ( 4.925 -20.252 -3.823) 21.189 ======================= Grid point 167 (60/72) ======================= q-point: ( 0.40 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 8.174 14.145 8.172) 18.267 2.164 ( 5.310 17.095 -0.263) 17.903 2.227 ( 0.771 14.860 1.452) 14.951 2.332 ( 1.170 13.975 -8.060) 16.175 2.505 ( -4.292 11.578 0.999) 12.389 2.618 ( -6.651 10.684 -7.929) 14.875 2.721 ( -4.855 12.199 -0.920) 13.162 2.744 ( -7.117 9.413 -3.466) 12.299 3.133 ( -0.167 9.975 1.860) 10.149 3.143 ( -1.417 10.548 0.840) 10.675 3.256 ( 0.578 4.479 2.103) 4.981 3.279 ( -1.434 3.772 -0.310) 4.047 3.558 ( 7.173 5.436 2.247) 9.277 3.595 ( 6.070 4.919 -1.264) 7.914 3.674 ( -1.501 11.335 1.912) 11.593 3.689 ( -3.826 9.662 0.198) 10.394 3.843 ( 5.163 16.593 12.046) 21.144 3.920 ( -1.442 11.777 10.841) 16.072 4.057 ( 5.768 11.564 -3.173) 13.306 4.141 ( -2.022 12.252 -5.329) 13.513 4.369 ( 1.952 7.450 3.646) 8.521 4.443 ( -5.100 9.246 -1.370) 10.647 4.728 ( 2.457 -1.306 -4.702) 5.464 4.778 ( -2.499 -1.508 -8.258) 8.759 5.965 ( 2.254 -0.556 0.126) 2.325 5.973 ( 1.777 0.031 -0.688) 1.906 6.153 ( -0.049 0.959 -0.228) 0.987 6.156 ( -0.077 0.762 -0.539) 0.936 6.636 ( -1.904 14.567 1.748) 14.794 6.640 ( -2.151 12.628 1.279) 12.873 6.896 ( 1.949 28.249 -0.780) 28.327 6.904 ( 1.258 27.839 -1.498) 27.908 7.284 ( 6.391 2.208 1.177) 6.863 7.295 ( 5.706 1.495 -0.025) 5.899 7.534 ( 0.273 1.056 3.939) 4.088 7.617 ( -6.390 3.240 -4.833) 8.642 7.778 ( 7.182 2.350 0.390) 7.566 7.838 ( 2.781 6.832 -5.516) 9.210 8.090 ( -6.064 2.576 -0.453) 6.604 8.116 ( -7.118 6.489 -2.784) 10.026 8.584 ( 10.669 17.617 3.956) 20.972 8.637 ( 7.574 18.351 -1.789) 19.934 8.881 ( -2.698 7.085 4.273) 8.702 8.919 ( -5.160 8.065 0.646) 9.596 9.306 ( 2.981 8.235 5.298) 10.236 9.367 ( -0.223 10.480 -1.237) 10.555 9.502 ( 1.041 14.660 2.028) 14.836 9.570 ( -3.242 12.575 -4.462) 13.731 9.788 ( 4.241 22.282 5.814) 23.416 9.881 ( -3.330 20.831 -3.353) 21.360 10.314 ( 0.732 4.854 4.327) 6.544 10.416 ( -7.897 4.486 -6.548) 11.197 10.559 ( 0.087 13.834 0.762) 13.856 10.583 ( -3.048 11.339 -2.136) 11.934 10.988 ( 3.024 1.123 6.883) 7.601 11.051 ( -1.882 -2.425 1.260) 3.318 11.149 ( -1.653 -3.621 -0.339) 3.995 11.180 ( -4.584 2.673 -4.522) 6.972 11.317 ( 2.703 -21.016 -4.188) 21.599 11.380 ( -2.676 -24.381 -10.486) 26.675 11.962 ( 1.525 -10.876 4.384) 11.825 12.002 ( -1.371 -12.850 0.968) 12.959 12.203 ( -2.101 -7.110 5.007) 8.946 12.260 ( -6.666 -4.974 -0.330) 8.324 12.641 ( -0.271 7.810 9.411) 12.233 12.651 ( -1.404 8.284 9.895) 12.981 12.941 ( 5.165 -0.930 2.464) 5.798 12.984 ( 0.909 -0.905 0.763) 1.492 13.423 ( 6.781 5.878 -11.499) 14.587 13.529 ( -3.814 7.309 -18.680) 20.419 14.045 ( 2.738 -2.363 -3.389) 4.956 14.098 ( -2.603 -2.591 -8.861) 9.592 15.160 ( 9.987 1.265 9.205) 13.641 15.281 ( 0.898 2.012 -0.246) 2.217 15.623 ( 3.628 -2.549 1.072) 4.562 15.787 ( -9.350 -1.448 -13.265) 16.294 16.157 ( -0.228 -2.811 10.236) 10.617 16.183 ( -2.406 -4.134 11.438) 12.398 16.312 ( 2.089 -1.112 -2.537) 3.469 16.369 ( -3.390 -2.185 -4.843) 6.302 17.687 ( 1.288 -8.475 5.105) 9.977 17.718 ( -1.830 -7.381 4.130) 8.653 17.860 ( 1.271 -2.823 -7.352) 7.977 17.884 ( -1.148 -3.776 -7.660) 8.617 19.266 ( 8.887 -8.114 25.634) 28.318 19.463 ( -9.878 -8.771 11.035) 17.213 20.226 ( 3.438 -15.215 -6.607) 16.940 20.373 ( -10.070 -15.425 -15.980) 24.387 22.596 ( 2.695 14.225 4.679) 15.216 22.671 ( -2.214 12.424 -0.363) 12.625 22.697 ( -0.588 18.128 -0.557) 18.146 22.751 ( -3.485 17.076 -3.268) 17.731 24.316 ( 2.628 -2.236 2.584) 4.311 24.358 ( -1.275 -4.425 -1.835) 4.957 25.033 ( 4.767 -19.991 0.872) 20.570 25.059 ( 2.078 -20.649 -1.793) 20.830 ======================= Grid point 170 (61/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 0.000 20.171 3.926) 20.550 2.386 ( 0.000 20.698 0.463) 20.703 2.502 ( 0.000 16.442 -5.488) 17.334 2.528 ( 0.000 13.935 -6.542) 15.394 2.934 ( 0.000 8.087 -0.114) 8.088 2.944 ( 0.000 8.519 -1.168) 8.598 3.165 ( 0.000 -0.094 7.767) 7.768 3.205 ( 0.000 2.772 1.879) 3.349 3.223 ( 0.000 3.113 0.635) 3.177 3.298 ( 0.000 1.059 -6.493) 6.579 3.346 ( 0.000 8.645 3.637) 9.379 3.352 ( 0.000 4.832 2.682) 5.527 3.468 ( 0.000 4.964 -0.973) 5.058 3.491 ( 0.000 4.854 -4.241) 6.445 3.840 ( 0.000 9.121 6.906) 11.441 3.913 ( 0.000 11.542 -0.576) 11.556 4.059 ( 0.000 9.617 1.296) 9.704 4.077 ( 0.000 4.471 -0.008) 4.471 4.109 ( 0.000 16.622 16.630) 23.513 4.387 ( 0.000 11.954 -11.466) 16.564 4.537 ( 0.000 12.094 9.707) 15.508 4.689 ( 0.000 5.014 -8.060) 9.493 4.748 ( 0.000 5.637 -1.134) 5.750 4.848 ( 0.000 2.189 -8.738) 9.008 5.926 ( 0.000 1.252 4.246) 4.426 5.983 ( 0.000 3.642 -1.113) 3.808 6.097 ( 0.000 -0.967 -0.662) 1.171 6.119 ( 0.000 -1.630 -3.999) 4.319 6.865 ( 0.000 3.956 2.223) 4.538 6.931 ( 0.000 5.826 -4.909) 7.619 6.960 ( 0.000 6.494 0.112) 6.495 6.969 ( 0.000 6.619 -0.946) 6.687 7.338 ( 0.000 5.567 4.803) 7.353 7.401 ( 0.000 12.700 -1.166) 12.753 7.710 ( 0.000 9.550 11.632) 15.050 7.712 ( 0.000 7.695 10.790) 13.252 7.958 ( 0.000 7.947 -14.154) 16.233 7.976 ( 0.000 14.991 -14.394) 20.783 8.365 ( 0.000 7.910 2.095) 8.183 8.380 ( 0.000 2.948 12.958) 13.289 8.466 ( 0.000 7.275 -3.324) 7.999 8.612 ( 0.000 9.777 -7.133) 12.102 9.073 ( 0.000 13.484 3.993) 14.063 9.093 ( 0.000 10.275 1.998) 10.467 9.472 ( 0.000 8.236 3.872) 9.101 9.546 ( 0.000 7.015 -5.511) 8.921 9.876 ( 0.000 8.190 7.875) 11.362 9.989 ( 0.000 4.883 -3.742) 6.152 10.055 ( 0.000 6.495 7.327) 9.792 10.219 ( 0.000 16.832 -8.504) 18.859 10.495 ( 0.000 -14.391 5.735) 15.492 10.617 ( 0.000 -6.082 -1.615) 6.293 10.633 ( 0.000 -30.935 -5.183) 31.366 10.692 ( 0.000 -4.514 -1.552) 4.773 10.835 ( 0.000 9.365 3.496) 9.996 10.904 ( 0.000 12.626 -3.296) 13.049 11.124 ( 0.000 9.632 1.231) 9.711 11.174 ( 0.000 8.307 -4.122) 9.273 11.251 ( 0.000 5.590 3.876) 6.802 11.419 ( 0.000 7.149 -9.967) 12.266 11.824 ( 0.000 -1.072 2.214) 2.460 11.898 ( 0.000 4.008 -3.073) 5.050 12.398 ( 0.000 -8.272 19.110) 20.824 12.630 ( 0.000 5.007 5.971) 7.792 12.667 ( 0.000 2.387 -3.240) 4.025 12.720 ( 0.000 -0.169 -6.847) 6.849 12.978 ( 0.000 15.031 5.315) 15.943 13.151 ( 0.000 6.942 -16.676) 18.063 13.260 ( 0.000 14.250 26.337) 29.945 13.770 ( 0.000 7.407 -26.122) 27.152 13.930 ( 0.000 -1.824 7.686) 7.899 14.117 ( 0.000 -3.169 -11.836) 12.253 14.925 ( 0.000 6.614 4.862) 8.209 15.081 ( 0.000 1.288 -9.891) 9.974 15.539 ( 0.000 -5.983 17.491) 18.486 15.883 ( 0.000 -3.996 -19.375) 19.783 16.006 ( 0.000 -13.647 9.802) 16.802 16.159 ( 0.000 -5.615 5.310) 7.728 16.197 ( 0.000 -8.814 -10.328) 13.578 16.287 ( 0.000 -11.469 -8.658) 14.370 17.670 ( 0.000 6.315 14.336) 15.665 17.736 ( 0.000 1.858 9.499) 9.679 17.827 ( 0.000 -1.426 0.066) 1.427 17.947 ( 0.000 7.654 -15.492) 17.280 19.011 ( 0.000 -0.248 23.548) 23.549 19.486 ( 0.000 -6.635 -26.556) 27.373 19.921 ( 0.000 -20.217 25.822) 32.795 20.274 ( 0.000 -19.185 -12.787) 23.056 22.542 ( 0.000 -5.871 2.860) 6.531 22.606 ( 0.000 -5.068 -3.948) 6.424 23.081 ( 0.000 4.137 1.190) 4.304 23.100 ( 0.000 6.184 -0.870) 6.245 24.375 ( 0.000 2.174 1.249) 2.507 24.403 ( 0.000 3.465 -1.727) 3.871 24.512 ( 0.000 -10.214 3.116) 10.678 24.565 ( 0.000 -13.880 -2.506) 14.105 ======================= Grid point 171 (62/72) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -0.286 18.834 5.250) 19.554 2.435 ( 2.932 18.570 -1.983) 18.904 2.517 ( -0.978 12.707 -2.384) 12.966 2.536 ( 2.819 14.680 -6.680) 16.373 2.869 ( -6.800 7.289 2.102) 10.188 2.906 ( -3.287 8.729 -2.300) 9.607 3.032 ( -5.228 7.877 3.920) 10.235 3.098 ( -7.299 7.250 -2.364) 10.557 3.303 ( -0.488 4.592 1.519) 4.862 3.333 ( 1.844 0.835 -1.242) 2.375 3.356 ( 0.011 7.119 1.219) 7.222 3.369 ( 0.018 4.274 -1.088) 4.410 3.480 ( 4.938 5.392 2.114) 7.611 3.531 ( 5.255 3.611 -2.980) 7.038 3.922 ( 2.938 10.554 4.313) 11.774 3.951 ( 1.751 8.301 1.867) 8.687 4.012 ( -2.134 5.055 4.546) 7.126 4.070 ( 2.654 6.107 1.978) 6.946 4.152 ( 2.641 15.125 13.199) 20.248 4.408 ( 0.978 12.215 -12.369) 17.412 4.515 ( -1.175 9.368 11.682) 15.021 4.694 ( 0.224 6.737 -8.727) 11.027 4.745 ( -0.326 6.709 -1.924) 6.987 4.836 ( -1.199 3.083 -8.911) 9.505 5.929 ( 0.376 0.369 3.769) 3.806 5.977 ( -0.489 1.960 -0.825) 2.182 6.112 ( 1.039 -1.646 -1.500) 2.457 6.124 ( 0.530 -1.530 -3.242) 3.624 6.879 ( -0.675 6.430 1.335) 6.601 6.904 ( 0.314 6.668 -0.940) 6.742 7.054 ( 9.672 5.477 2.441) 11.380 7.112 ( 10.171 8.619 -3.120) 13.692 7.235 ( -4.728 2.838 5.288) 7.640 7.362 ( -4.944 9.453 -6.962) 12.738 7.718 ( 1.715 6.751 12.175) 14.026 7.757 ( 2.548 11.431 9.221) 14.906 7.928 ( -3.492 11.017 -9.786) 15.144 7.997 ( 1.447 13.617 -13.433) 19.182 8.271 ( -5.153 1.685 8.399) 9.997 8.415 ( -2.839 9.620 -4.872) 11.150 8.596 ( 12.612 8.784 5.047) 16.177 8.706 ( 9.494 11.201 -4.276) 15.294 9.093 ( 0.152 9.955 4.491) 10.922 9.119 ( 3.173 11.966 2.096) 12.556 9.495 ( 1.241 7.187 0.470) 7.308 9.541 ( 1.644 8.399 -3.368) 9.197 9.899 ( -7.323 11.030 4.564) 14.005 9.915 ( 2.127 10.243 3.390) 10.997 10.044 ( 0.508 0.878 0.675) 1.218 10.118 ( -7.534 15.496 -4.533) 17.816 10.538 ( 2.211 -14.998 2.832) 15.422 10.579 ( -2.986 -8.666 1.600) 9.305 10.607 ( -2.285 -25.698 -4.473) 26.184 10.724 ( -2.975 -7.732 -10.694) 13.528 10.811 ( -1.755 5.142 5.697) 7.872 10.901 ( -1.252 12.753 -2.945) 13.148 11.038 ( -6.421 3.404 0.716) 7.303 11.092 ( -1.061 9.772 -3.427) 10.410 11.278 ( 1.148 10.813 6.235) 12.535 11.426 ( -1.421 11.261 -6.873) 13.269 11.848 ( 2.513 -1.151 -0.472) 2.804 11.883 ( -0.636 3.034 -2.312) 3.867 12.277 ( -9.389 -4.310 13.832) 17.265 12.454 ( -10.572 1.212 -3.365) 11.160 12.780 ( 4.991 4.803 4.113) 8.056 12.826 ( 6.732 0.006 1.619) 6.924 12.958 ( -2.993 12.573 3.655) 13.431 13.001 ( -5.843 8.641 4.536) 11.374 13.422 ( 9.220 10.727 3.655) 14.610 13.737 ( -2.490 6.194 -17.674) 18.892 13.971 ( 3.061 0.175 -0.992) 3.222 14.100 ( -1.480 -2.225 -11.312) 11.623 15.012 ( 8.014 5.329 6.718) 11.737 15.180 ( 8.660 1.404 -9.241) 12.742 15.528 ( -0.900 -5.435 15.986) 16.909 15.852 ( -3.249 -3.878 -17.699) 18.407 16.011 ( 0.234 -12.720 8.559) 15.333 16.125 ( -3.110 -6.182 5.387) 8.769 16.189 ( -0.676 -8.344 -9.516) 12.674 16.262 ( -2.168 -11.397 -9.617) 15.069 17.672 ( 0.305 5.977 13.784) 15.027 17.725 ( -0.970 2.257 10.046) 10.342 17.836 ( 0.867 -0.579 -1.559) 1.876 17.932 ( -1.417 6.633 -14.108) 15.653 19.045 ( 3.450 -1.007 23.638) 23.909 19.448 ( -4.404 -7.021 -12.543) 15.034 19.888 ( -1.546 -17.531 13.683) 22.292 20.208 ( -6.291 -18.093 -14.794) 24.203 22.588 ( 4.389 -4.620 2.987) 7.037 22.651 ( 4.279 -4.208 -3.790) 7.098 23.028 ( -4.926 3.889 1.935) 6.567 23.058 ( -4.020 5.068 -1.389) 6.616 24.341 ( -2.148 1.936 0.674) 2.969 24.350 ( -2.619 0.097 -0.195) 2.628 24.609 ( 6.438 -9.626 1.133) 11.636 24.634 ( 5.195 -13.003 -1.490) 14.081 ======================= Grid point 172 (63/72) ======================= q-point: ( 0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 2.813 14.302 5.924) 15.734 2.443 ( -3.318 11.558 0.715) 12.046 2.531 ( 3.906 14.154 -0.123) 14.684 2.591 ( 0.523 11.315 -6.181) 12.904 2.749 ( -1.961 12.036 0.888) 12.227 2.818 ( -5.620 9.245 -5.867) 12.308 2.965 ( -1.690 12.010 -0.193) 12.130 2.980 ( -3.372 12.935 -1.765) 13.483 3.307 ( 0.976 4.678 1.595) 5.038 3.332 ( -1.048 2.338 -0.005) 2.562 3.346 ( -0.464 8.772 -0.590) 8.804 3.352 ( -0.517 6.915 -0.146) 6.936 3.630 ( 7.643 2.469 2.024) 8.283 3.658 ( 5.768 1.772 -0.977) 6.113 3.858 ( -5.339 6.036 1.179) 8.144 3.862 ( -5.941 6.862 0.328) 9.082 4.118 ( 5.114 8.701 8.660) 13.299 4.155 ( 2.126 11.529 9.280) 14.951 4.213 ( 5.778 5.454 6.887) 10.515 4.353 ( -6.151 7.455 -0.576) 9.682 4.557 ( 4.842 10.948 1.245) 12.036 4.657 ( -4.254 11.252 -4.101) 12.709 4.761 ( 1.991 5.546 -7.755) 9.740 4.803 ( -1.995 4.737 -9.242) 10.576 5.945 ( 1.114 -1.043 2.428) 2.868 5.965 ( -0.777 -0.644 0.469) 1.113 6.126 ( 0.502 -2.224 -2.141) 3.128 6.132 ( 0.031 -1.902 -2.613) 3.232 6.858 ( -0.545 9.021 3.056) 9.540 6.878 ( -2.368 9.928 1.572) 10.327 7.182 ( 2.465 2.156 0.613) 3.331 7.248 ( -3.635 4.391 -5.485) 7.911 7.323 ( 12.771 5.763 2.017) 14.155 7.367 ( 8.848 7.011 -2.813) 11.634 7.698 ( -3.103 12.812 4.547) 13.945 7.767 ( -8.364 10.285 -2.108) 13.423 7.874 ( 5.769 7.757 7.811) 12.428 7.999 ( -3.614 7.366 0.863) 8.250 8.202 ( 0.908 8.742 -3.567) 9.486 8.303 ( -7.019 11.160 -8.645) 15.766 8.867 ( 12.036 8.824 6.869) 16.429 8.940 ( 13.117 10.888 -0.591) 17.057 9.043 ( -5.113 8.452 8.340) 12.929 9.149 ( -3.882 12.947 -2.957) 13.836 9.521 ( 3.162 12.687 1.937) 13.218 9.586 ( -0.935 9.964 -5.128) 11.245 9.782 ( -1.475 11.729 3.339) 12.284 9.868 ( -7.132 15.837 -4.586) 17.964 10.074 ( 9.055 3.389 7.910) 12.492 10.190 ( 12.535 5.969 -3.605) 14.344 10.367 ( -16.060 2.638 5.351) 17.132 10.480 ( -13.422 0.011 -5.118) 14.365 10.597 ( 1.483 -16.866 -3.015) 17.197 10.626 ( -1.818 -18.307 -5.709) 19.263 10.765 ( -0.920 -20.702 -2.851) 20.918 10.798 ( -4.524 -18.304 -5.533) 19.650 11.105 ( 7.620 17.206 3.265) 19.099 11.143 ( 4.053 20.136 -0.885) 20.559 11.269 ( -1.588 13.376 5.183) 14.433 11.335 ( -6.948 13.811 -0.964) 15.491 11.889 ( 2.895 0.202 1.238) 3.155 11.931 ( 2.220 0.916 -3.147) 3.959 12.123 ( -2.682 -2.365 6.606) 7.511 12.238 ( -10.472 0.528 -4.621) 11.458 12.828 ( 0.736 8.143 11.312) 13.958 12.860 ( -3.223 10.664 12.110) 16.455 12.944 ( 4.177 0.921 1.295) 4.469 12.984 ( -0.059 3.021 -0.427) 3.052 13.580 ( 6.503 8.798 -5.279) 12.148 13.679 ( -3.653 6.893 -11.476) 13.877 14.026 ( 2.334 0.728 -6.677) 7.111 14.066 ( -1.815 -0.451 -9.410) 9.594 15.195 ( 9.029 2.924 9.546) 13.462 15.308 ( 0.054 1.336 3.434) 3.685 15.560 ( 6.754 -3.454 -0.543) 7.605 15.739 ( -8.418 -2.947 -14.167) 16.741 16.015 ( 0.725 -10.352 8.241) 13.252 16.056 ( -3.241 -7.694 6.480) 10.569 16.187 ( 0.806 -9.224 -9.993) 13.623 16.218 ( -2.029 -10.677 -10.775) 15.304 17.683 ( 0.779 4.976 12.507) 13.483 17.703 ( -1.159 3.512 11.166) 11.763 17.860 ( 1.599 1.434 -5.512) 5.916 17.897 ( -1.988 4.128 -10.301) 11.274 19.148 ( 6.909 -3.165 22.219) 23.483 19.309 ( -8.633 -5.986 12.774) 16.539 19.919 ( 4.791 -14.787 -8.851) 17.887 20.055 ( -8.163 -15.777 -16.205) 24.045 22.698 ( 5.885 -2.229 2.529) 6.783 22.744 ( 3.291 -2.553 -2.503) 4.859 22.921 ( -3.978 3.120 2.132) 5.487 22.957 ( -5.479 3.088 -1.754) 6.529 24.314 ( -0.463 1.253 0.515) 1.432 24.318 ( -0.792 -0.117 0.145) 0.814 24.710 ( 3.044 -11.987 0.096) 12.368 24.717 ( 2.316 -13.047 -0.610) 13.265 ======================= Grid point 175 (64/72) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 0.000 9.705 0.479) 9.717 2.711 ( 0.000 6.362 -0.603) 6.390 2.761 ( 0.000 14.893 -1.219) 14.942 2.775 ( 0.000 13.562 -2.903) 13.869 3.084 ( 0.000 6.295 -0.444) 6.311 3.093 ( 0.000 4.935 -0.388) 4.951 3.161 ( 0.000 0.705 4.884) 4.935 3.238 ( 0.000 -1.551 -1.385) 2.079 3.261 ( 0.000 3.399 1.881) 3.885 3.310 ( 0.000 1.903 -4.347) 4.746 3.458 ( 0.000 5.209 4.290) 6.748 3.495 ( 0.000 5.866 1.734) 6.117 3.560 ( 0.000 3.834 0.034) 3.834 3.588 ( 0.000 3.843 -1.962) 4.315 3.930 ( 0.000 -0.458 7.216) 7.230 3.993 ( 0.000 -1.611 -0.022) 1.611 4.174 ( 0.000 6.761 2.379) 7.168 4.223 ( 0.000 8.452 -2.484) 8.809 4.463 ( 0.000 14.900 9.525) 17.684 4.570 ( 0.000 7.336 -2.785) 7.847 4.769 ( 0.000 3.505 -0.497) 3.540 4.774 ( 0.000 8.921 6.718) 11.168 4.890 ( 0.000 8.482 -10.343) 13.377 4.934 ( 0.000 5.665 -8.214) 9.978 5.966 ( 0.000 2.881 6.484) 7.095 6.033 ( 0.000 1.245 1.849) 2.229 6.090 ( 0.000 0.121 -3.059) 3.062 6.108 ( 0.000 0.771 -7.634) 7.673 6.941 ( 0.000 4.511 3.607) 5.775 7.034 ( 0.000 5.040 -6.246) 8.026 7.089 ( 0.000 6.873 0.107) 6.873 7.103 ( 0.000 7.065 -1.428) 7.208 7.408 ( 0.000 3.204 12.988) 13.377 7.594 ( 0.000 6.985 -5.970) 9.188 7.831 ( 0.000 3.979 9.594) 10.387 7.931 ( 0.000 10.380 16.617) 19.593 8.047 ( 0.000 1.581 -12.801) 12.898 8.271 ( 0.000 12.784 -19.479) 23.300 8.376 ( 0.000 -1.167 20.369) 20.402 8.564 ( 0.000 10.976 7.300) 13.181 8.716 ( 0.000 15.628 -6.995) 17.122 8.746 ( 0.000 3.809 -16.956) 17.379 9.294 ( 0.000 4.909 1.986) 5.296 9.296 ( 0.000 8.090 5.571) 9.823 9.531 ( 0.000 -6.703 -2.729) 7.237 9.588 ( 0.000 6.805 -3.633) 7.714 9.898 ( 0.000 -24.396 2.122) 24.488 9.917 ( 0.000 -3.692 6.776) 7.717 10.014 ( 0.000 -8.080 -3.538) 8.820 10.021 ( 0.000 -19.372 -9.126) 21.414 10.040 ( 0.000 -8.569 2.569) 8.946 10.186 ( 0.000 -10.982 -9.851) 14.752 10.823 ( 0.000 11.336 2.866) 11.692 10.843 ( 0.000 14.214 0.216) 14.215 11.067 ( 0.000 7.386 18.097) 19.546 11.167 ( 0.000 10.328 3.030) 10.763 11.263 ( 0.000 8.357 -5.404) 9.952 11.330 ( 0.000 13.619 -7.333) 15.467 11.611 ( 0.000 18.714 6.831) 19.922 11.781 ( 0.000 9.210 -10.792) 14.187 11.897 ( 0.000 20.299 7.905) 21.784 12.059 ( 0.000 10.164 -3.789) 10.848 12.233 ( 0.000 -5.087 7.129) 8.757 12.475 ( 0.000 -12.914 -14.126) 19.139 12.754 ( 0.000 7.184 10.354) 12.602 12.870 ( 0.000 7.795 -1.649) 7.967 13.220 ( 0.000 8.308 4.590) 9.492 13.271 ( 0.000 3.517 -2.670) 4.416 13.540 ( 0.000 12.048 17.372) 21.141 13.844 ( 0.000 -0.976 -11.714) 11.754 13.899 ( 0.000 -1.335 7.310) 7.431 14.059 ( 0.000 -1.711 -9.430) 9.584 15.124 ( 0.000 3.300 -1.564) 3.652 15.135 ( 0.000 13.417 -2.788) 13.704 15.449 ( 0.000 -3.064 18.286) 18.541 15.748 ( 0.000 -11.031 6.197) 12.653 15.817 ( 0.000 -2.553 -19.201) 19.370 16.013 ( 0.000 -8.307 -18.619) 20.388 16.042 ( 0.000 -5.284 -4.576) 6.990 16.055 ( 0.000 -10.998 -8.391) 13.834 17.801 ( 0.000 4.901 11.651) 12.640 17.818 ( 0.000 0.588 9.499) 9.517 17.826 ( 0.000 6.679 13.606) 15.157 18.076 ( 0.000 4.253 -11.660) 12.412 19.067 ( 0.000 5.261 12.235) 13.318 19.380 ( 0.000 -3.722 -20.202) 20.542 19.580 ( 0.000 -13.149 22.005) 25.634 19.909 ( 0.000 -16.877 -13.269) 21.468 22.423 ( 0.000 -5.404 2.543) 5.972 22.481 ( 0.000 -6.355 -3.745) 7.376 23.022 ( 0.000 -8.305 2.889) 8.794 23.069 ( 0.000 -7.842 -2.158) 8.133 24.324 ( 0.000 -3.884 1.706) 4.242 24.354 ( 0.000 -5.511 -1.446) 5.698 24.457 ( 0.000 0.623 0.206) 0.657 24.461 ( 0.000 0.371 -0.180) 0.412 ======================= Grid point 176 (65/72) ======================= q-point: ( 0.20 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -2.145 9.673 2.539) 10.229 2.708 ( -2.258 9.148 -0.187) 9.425 2.762 ( 0.827 10.931 -1.572) 11.074 2.775 ( 0.005 12.936 -3.768) 13.474 3.005 ( -3.974 6.143 2.051) 7.598 3.052 ( -3.643 5.603 -3.223) 7.420 3.183 ( 0.315 6.473 3.617) 7.422 3.236 ( -0.922 6.350 -0.864) 6.474 3.314 ( 3.416 -1.291 -0.670) 3.713 3.325 ( 1.691 -1.498 -2.821) 3.614 3.458 ( 0.020 4.598 4.037) 6.119 3.493 ( -0.158 5.453 0.627) 5.491 3.593 ( 3.235 4.186 0.041) 5.291 3.603 ( 2.436 3.666 -1.288) 4.586 3.953 ( -0.348 -3.948 5.275) 6.598 3.994 ( -0.981 -2.752 0.713) 3.007 4.156 ( 0.786 9.028 4.877) 10.291 4.223 ( 1.088 8.352 -1.257) 8.516 4.437 ( -2.365 10.951 9.914) 14.960 4.591 ( -2.118 6.226 -7.795) 10.199 4.694 ( 0.455 8.761 10.388) 13.597 4.854 ( 2.828 8.610 -2.438) 9.385 4.903 ( 1.337 7.517 -9.436) 12.137 4.937 ( -0.052 6.499 -7.289) 9.766 5.952 ( -1.073 2.129 5.246) 5.762 6.006 ( -2.409 1.192 1.207) 2.947 6.081 ( -0.248 -1.196 -3.501) 3.708 6.109 ( -0.295 -0.162 -5.578) 5.588 6.983 ( 2.741 4.571 1.269) 5.479 7.011 ( 1.176 4.581 -1.456) 4.949 7.178 ( 7.102 7.624 3.908) 11.128 7.265 ( 8.874 7.247 -5.498) 12.709 7.297 ( -3.242 4.200 10.312) 11.597 7.502 ( -7.381 4.771 -10.772) 13.903 7.834 ( 2.573 5.300 17.658) 18.615 7.995 ( 2.849 10.222 9.174) 14.027 8.104 ( 0.750 5.343 -5.498) 7.703 8.229 ( -5.123 6.832 6.704) 10.857 8.325 ( 0.734 6.222 -8.202) 10.321 8.608 ( -5.157 7.451 -16.007) 18.394 8.758 ( 13.921 8.422 7.507) 17.918 8.894 ( 8.791 8.573 -5.804) 13.582 9.263 ( -2.937 6.035 7.726) 10.234 9.335 ( 2.364 5.471 -1.613) 6.175 9.556 ( 4.136 -4.319 -2.531) 6.494 9.613 ( 3.456 4.597 -5.124) 7.703 9.855 ( -2.715 -16.923 0.854) 17.161 9.934 ( -1.754 -10.416 -5.595) 11.953 10.010 ( 3.678 -5.864 7.257) 10.029 10.034 ( 2.609 -12.676 2.952) 13.274 10.137 ( 6.670 -12.654 -6.436) 15.685 10.182 ( 0.377 -8.442 -8.301) 11.845 10.643 ( -14.300 13.512 3.582) 19.997 10.691 ( -12.464 6.054 -2.025) 14.003 10.987 ( -13.772 5.449 7.639) 16.665 11.071 ( -12.468 2.471 -2.946) 13.047 11.284 ( 7.799 15.891 8.172) 19.497 11.427 ( 8.271 18.785 -2.106) 20.633 11.638 ( 2.114 18.827 6.125) 19.911 11.796 ( 2.506 8.606 -12.612) 15.473 11.863 ( -3.849 14.770 8.960) 17.699 12.022 ( -3.136 9.580 -4.749) 11.143 12.183 ( -4.956 -2.037 6.593) 8.496 12.395 ( -6.804 -6.402 -11.375) 14.719 12.846 ( 7.086 3.917 5.635) 9.864 12.895 ( 2.536 6.178 1.344) 6.812 13.159 ( -7.503 6.074 4.932) 10.841 13.174 ( -3.938 7.290 3.883) 9.151 13.639 ( 6.586 9.610 9.405) 14.972 13.812 ( -1.161 1.526 -1.809) 2.636 13.973 ( 4.617 -1.586 -3.206) 5.840 14.063 ( 0.358 -0.995 -9.239) 9.299 15.185 ( 4.930 11.154 0.970) 12.234 15.218 ( 8.250 2.760 -2.156) 8.963 15.446 ( -0.145 -2.619 17.510) 17.706 15.753 ( 0.304 -8.854 0.343) 8.866 15.801 ( -1.816 -4.332 -12.183) 13.057 15.986 ( -2.899 -7.081 -10.168) 12.726 16.023 ( -1.620 -7.296 -10.460) 12.855 16.037 ( -1.344 -9.773 -13.364) 16.611 17.799 ( -0.183 4.989 11.645) 12.670 17.805 ( -0.619 4.277 12.014) 12.768 17.852 ( 1.961 3.002 9.107) 9.788 18.047 ( -2.781 3.789 -9.289) 10.410 19.086 ( 1.946 4.605 12.707) 13.655 19.340 ( -3.952 -3.434 -5.592) 7.660 19.592 ( 1.705 -11.546 7.259) 13.745 19.865 ( -4.111 -15.687 -14.042) 21.451 22.474 ( 4.830 -5.788 2.634) 7.986 22.532 ( 4.727 -6.603 -3.673) 8.913 22.968 ( -5.094 -8.093 3.052) 10.038 23.016 ( -5.007 -7.866 -2.200) 9.581 24.318 ( -0.093 -1.785 1.730) 2.488 24.351 ( -0.522 -1.757 -1.791) 2.563 24.479 ( 2.640 -3.186 1.348) 4.352 24.501 ( 2.593 -2.657 -1.012) 3.848 ======================= Grid point 177 (66/72) ======================= q-point: ( 0.40 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -0.422 10.580 3.856) 11.269 2.655 ( -2.268 10.882 3.090) 11.537 2.777 ( 0.286 10.360 -3.648) 10.987 2.777 ( 0.287 7.711 -5.229) 9.321 2.960 ( -0.380 8.711 0.766) 8.753 2.986 ( -2.674 7.303 -2.088) 8.053 3.183 ( 0.271 8.864 0.884) 8.912 3.204 ( -1.769 8.792 -1.169) 9.044 3.353 ( 1.169 0.175 -0.073) 1.184 3.360 ( 0.711 1.394 -0.677) 1.705 3.465 ( 0.710 2.750 1.451) 3.189 3.482 ( -0.862 4.054 -0.272) 4.154 3.683 ( 4.817 2.746 0.547) 5.572 3.688 ( 4.875 1.933 -0.039) 5.245 3.886 ( -4.147 -2.731 2.164) 5.417 3.911 ( -5.838 -1.864 -0.583) 6.156 4.268 ( 7.958 6.813 6.371) 12.261 4.289 ( 5.582 5.927 4.333) 9.223 4.372 ( -4.141 7.683 8.799) 12.394 4.459 ( -8.834 4.346 2.013) 10.049 4.784 ( 5.690 10.904 0.195) 12.301 4.870 ( -2.057 9.792 -4.531) 10.984 4.923 ( 0.713 8.778 -7.310) 11.446 4.934 ( -0.033 6.915 -7.649) 10.311 5.939 ( 0.047 0.727 3.135) 3.218 5.959 ( -1.933 0.323 1.422) 2.421 6.084 ( 0.467 -1.888 -3.013) 3.587 6.097 ( -0.780 -1.536 -3.997) 4.353 7.010 ( 1.310 6.270 3.942) 7.522 7.046 ( -1.203 6.865 2.006) 7.252 7.185 ( 1.841 0.331 1.563) 2.438 7.268 ( -4.322 0.746 -4.741) 6.458 7.501 ( 9.970 10.176 -0.295) 14.249 7.531 ( 8.656 9.386 -3.207) 13.164 7.891 ( 2.017 6.304 11.198) 13.007 7.965 ( -6.074 9.488 2.054) 11.452 8.058 ( -1.264 7.406 8.934) 11.673 8.115 ( -5.766 5.370 13.782) 15.875 8.389 ( 4.983 8.101 -16.254) 18.832 8.502 ( -5.840 7.115 -17.275) 19.574 8.998 ( 8.797 5.249 6.945) 12.377 9.079 ( 7.158 4.988 0.984) 8.780 9.186 ( -1.817 3.596 4.711) 6.198 9.308 ( -5.785 1.879 -6.321) 8.772 9.701 ( 4.812 -2.662 -2.653) 6.106 9.719 ( 4.365 2.309 -3.860) 6.268 9.845 ( 5.048 -7.528 1.591) 9.202 9.958 ( 1.583 -10.364 -8.903) 13.755 10.028 ( 5.795 -3.599 7.325) 10.010 10.149 ( 4.746 -8.716 -1.407) 10.024 10.258 ( 4.116 -7.156 1.461) 8.384 10.299 ( 7.992 -2.188 -0.654) 8.312 10.335 ( -12.388 8.377 0.239) 14.957 10.426 ( -11.497 0.325 -7.762) 13.876 10.653 ( -14.036 0.663 4.377) 14.718 10.750 ( -17.277 2.696 -5.702) 18.392 11.471 ( 9.716 13.423 12.393) 20.693 11.584 ( 4.431 18.300 5.059) 19.496 11.656 ( -0.322 21.305 8.127) 22.804 11.743 ( -6.123 21.603 4.333) 22.868 11.889 ( 4.678 0.634 -8.192) 9.455 11.967 ( -2.605 5.160 -10.194) 11.719 12.097 ( -0.045 1.051 2.774) 2.966 12.225 ( -9.542 -0.917 -9.419) 13.439 12.957 ( 3.681 5.907 6.326) 9.405 12.984 ( 6.021 3.368 3.316) 7.655 13.037 ( -4.734 6.902 8.199) 11.716 13.088 ( -4.647 5.427 2.871) 7.700 13.745 ( 3.893 7.115 3.926) 9.011 13.794 ( -1.256 4.423 1.132) 4.735 14.044 ( 2.276 -0.528 -7.207) 7.577 14.067 ( -0.232 -0.104 -8.738) 8.742 15.295 ( 5.172 6.828 8.569) 12.116 15.353 ( 1.026 3.127 8.087) 8.731 15.496 ( 8.023 -2.755 2.805) 8.935 15.681 ( -8.064 -2.861 -8.793) 12.268 15.811 ( 3.405 -8.746 0.156) 9.387 15.902 ( -5.119 -6.567 -4.311) 9.376 16.002 ( -0.099 -8.621 -16.206) 18.356 16.013 ( -1.004 -8.541 -18.081) 20.022 17.796 ( -0.114 5.154 11.777) 12.856 17.796 ( -0.211 5.048 11.848) 12.880 17.903 ( 3.215 2.399 3.792) 5.520 17.977 ( -3.933 2.876 -3.163) 5.809 19.145 ( 3.988 2.566 13.113) 13.945 19.240 ( -5.420 -0.716 9.580) 11.030 19.656 ( 4.587 -11.095 -9.038) 15.028 19.763 ( -5.743 -13.079 -14.113) 20.080 22.594 ( 6.298 -6.433 2.006) 9.223 22.636 ( 3.848 -6.828 -2.562) 8.246 22.856 ( -4.192 -7.817 2.463) 9.206 22.894 ( -6.263 -7.876 -1.687) 10.203 24.325 ( 0.613 0.408 0.831) 1.110 24.338 ( -0.690 0.786 -0.600) 1.206 24.531 ( 1.872 -6.317 0.524) 6.609 24.540 ( 0.946 -5.825 -0.498) 5.923 ======================= Grid point 180 (67/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 0.000 1.021 0.507) 1.140 2.784 ( 0.000 0.794 -1.280) 1.506 3.016 ( 0.000 9.335 0.141) 9.336 3.029 ( 0.000 9.694 -0.811) 9.728 3.129 ( 0.000 1.151 1.977) 2.288 3.160 ( 0.000 1.212 -2.060) 2.390 3.189 ( 0.000 0.568 -0.265) 0.627 3.195 ( 0.000 -1.697 -0.212) 1.710 3.359 ( 0.000 5.840 1.493) 6.028 3.385 ( 0.000 4.929 -1.432) 5.132 3.542 ( 0.000 2.525 2.814) 3.781 3.566 ( 0.000 0.778 0.715) 1.057 3.612 ( 0.000 1.350 1.097) 1.740 3.618 ( 0.000 -0.737 0.844) 1.121 3.891 ( 0.000 -1.888 3.565) 4.034 3.927 ( 0.000 -3.707 -0.537) 3.746 4.310 ( 0.000 5.807 3.356) 6.707 4.355 ( 0.000 4.217 -0.897) 4.311 4.681 ( 0.000 6.917 -1.325) 7.042 4.693 ( 0.000 4.746 -3.074) 5.655 4.837 ( 0.000 3.164 7.224) 7.886 4.879 ( 0.000 2.382 5.614) 6.098 5.043 ( 0.000 4.529 -6.827) 8.192 5.044 ( 0.000 5.520 -8.917) 10.487 6.037 ( 0.000 3.848 3.752) 5.374 6.051 ( 0.000 0.996 1.732) 1.998 6.090 ( 0.000 -0.289 -2.425) 2.442 6.126 ( 0.000 0.255 -5.660) 5.666 7.047 ( 0.000 5.364 3.142) 6.217 7.116 ( 0.000 2.584 -3.992) 4.755 7.236 ( 0.000 6.965 -0.119) 6.966 7.244 ( 0.000 6.369 -0.957) 6.441 7.501 ( 0.000 6.182 12.115) 13.601 7.683 ( 0.000 1.412 -7.090) 7.230 7.880 ( 0.000 1.616 6.935) 7.120 8.006 ( 0.000 -2.737 -1.172) 2.977 8.127 ( 0.000 7.106 9.680) 12.008 8.385 ( 0.000 2.630 12.980) 13.244 8.413 ( 0.000 -0.130 -15.992) 15.992 8.628 ( 0.000 -6.443 -6.852) 9.405 8.896 ( 0.000 12.474 2.728) 12.769 9.028 ( 0.000 13.621 -3.061) 13.960 9.278 ( 0.000 -3.022 -5.404) 6.191 9.298 ( 0.000 -2.920 -1.115) 3.126 9.409 ( 0.000 -9.278 3.958) 10.087 9.618 ( 0.000 -13.666 -13.292) 19.064 9.621 ( 0.000 4.807 8.984) 10.189 9.763 ( 0.000 -5.904 4.108) 7.193 9.800 ( 0.000 3.682 -8.396) 9.168 9.905 ( 0.000 -9.081 -8.110) 12.175 9.931 ( 0.000 -4.820 1.111) 4.947 10.009 ( 0.000 -4.501 -7.342) 8.611 11.043 ( 0.000 7.073 8.411) 10.990 11.051 ( 0.000 9.403 9.041) 13.044 11.192 ( 0.000 7.715 7.453) 10.726 11.320 ( 0.000 5.788 -8.164) 10.008 11.394 ( 0.000 2.375 2.924) 3.767 11.510 ( 0.000 -0.980 -6.405) 6.480 11.840 ( 0.000 4.136 14.993) 15.553 11.878 ( 0.000 6.524 10.323) 12.212 12.102 ( 0.000 1.764 -3.357) 3.792 12.224 ( 0.000 -8.676 -15.135) 17.445 12.391 ( 0.000 18.588 -2.613) 18.771 12.434 ( 0.000 15.542 -6.149) 16.714 12.892 ( 0.000 6.117 10.442) 12.101 12.994 ( 0.000 4.388 0.243) 4.395 13.290 ( 0.000 -1.098 4.535) 4.666 13.310 ( 0.000 0.968 2.619) 2.792 13.696 ( 0.000 3.754 6.252) 7.293 13.775 ( 0.000 -3.543 -1.532) 3.860 13.892 ( 0.000 1.080 7.262) 7.342 14.023 ( 0.000 -3.026 -5.680) 6.436 15.200 ( 0.000 3.587 9.842) 10.475 15.347 ( 0.000 -1.793 18.366) 18.453 15.433 ( 0.000 8.682 -2.773) 9.114 15.628 ( 0.000 0.245 -3.686) 3.694 15.747 ( 0.000 -5.479 -9.483) 10.951 15.847 ( 0.000 -8.086 -14.156) 16.303 15.931 ( 0.000 -0.730 -24.860) 24.870 15.970 ( 0.000 -1.880 -15.209) 15.325 17.844 ( 0.000 1.669 12.803) 12.911 17.867 ( 0.000 1.678 10.384) 10.519 17.953 ( 0.000 5.676 12.587) 13.808 18.106 ( 0.000 -1.035 -2.416) 2.628 19.193 ( 0.000 6.558 3.306) 7.344 19.333 ( 0.000 -1.414 -11.451) 11.538 19.411 ( 0.000 -3.715 11.051) 11.659 19.615 ( 0.000 -12.235 -9.894) 15.735 22.342 ( 0.000 -2.438 1.585) 2.908 22.376 ( 0.000 -3.897 -2.008) 4.384 22.837 ( 0.000 -8.138 2.128) 8.412 22.874 ( 0.000 -9.440 -1.849) 9.619 24.272 ( 0.000 -1.605 0.609) 1.717 24.282 ( 0.000 -2.197 -0.437) 2.240 24.457 ( 0.000 -0.512 0.115) 0.525 24.458 ( 0.000 -0.421 0.026) 0.422 ======================= Grid point 181 (68/72) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 0.465 3.084 2.301) 3.876 2.815 ( 2.206 1.694 -3.354) 4.357 2.971 ( -3.866 8.735 1.441) 9.661 3.011 ( -2.179 8.447 -2.488) 9.071 3.107 ( -0.933 4.238 0.790) 4.411 3.128 ( -1.580 2.680 -1.072) 3.291 3.231 ( 3.823 -1.277 1.350) 4.250 3.264 ( 3.747 -3.080 -1.660) 5.127 3.350 ( -0.262 5.192 1.142) 5.322 3.364 ( -1.706 4.802 -0.777) 5.155 3.525 ( -1.943 1.251 2.543) 3.436 3.552 ( -1.562 0.013 0.051) 1.563 3.640 ( 3.023 1.118 1.585) 3.591 3.652 ( 3.125 0.934 0.146) 3.265 3.881 ( -1.537 -2.288 2.789) 3.921 3.914 ( -1.664 -3.872 -0.677) 4.268 4.312 ( 1.160 6.005 4.358) 7.509 4.353 ( 0.496 4.218 0.393) 4.265 4.599 ( -4.867 5.821 4.833) 8.996 4.671 ( -5.285 2.192 -2.746) 6.346 4.861 ( 4.664 7.014 5.686) 10.162 4.960 ( 4.876 2.223 -0.646) 5.398 5.044 ( 0.288 5.723 -8.083) 9.908 5.061 ( 0.936 4.805 -6.643) 8.252 6.007 ( -2.280 2.726 2.495) 4.342 6.033 ( -2.325 1.656 1.986) 3.477 6.065 ( -1.402 -0.558 -2.455) 2.882 6.106 ( -1.774 -0.452 -4.797) 5.134 7.067 ( 2.091 3.536 0.506) 4.139 7.087 ( 0.072 2.728 -1.617) 3.172 7.346 ( 6.871 8.200 4.707) 11.688 7.372 ( -8.681 4.895 8.324) 12.985 7.435 ( 14.824 7.023 -2.658) 16.617 7.553 ( -6.092 0.198 -8.536) 10.489 7.934 ( 4.593 5.031 12.505) 14.240 8.123 ( 2.842 0.780 12.895) 13.228 8.146 ( 2.276 2.388 -3.665) 4.931 8.340 ( -3.316 6.056 12.119) 13.948 8.422 ( 1.021 -0.634 -15.294) 15.341 8.605 ( -3.536 -6.769 -13.770) 15.746 8.968 ( 6.508 11.050 6.074) 14.190 9.084 ( 4.461 9.770 -2.294) 10.982 9.280 ( -1.494 -1.609 1.861) 2.878 9.292 ( -0.161 -4.981 -2.723) 5.679 9.445 ( 4.093 -9.076 -0.769) 9.986 9.576 ( -1.203 -0.561 3.566) 3.805 9.635 ( 1.796 -12.730 -12.015) 17.597 9.730 ( -3.187 0.859 -11.185) 11.662 9.873 ( 6.914 -4.796 5.968) 10.316 9.981 ( 9.104 -2.985 1.507) 9.699 10.022 ( 2.905 -4.068 -8.265) 9.659 10.036 ( 7.919 -0.586 -3.550) 8.698 10.853 ( -15.376 8.295 7.967) 19.202 10.888 ( -13.390 8.389 5.737) 16.810 11.089 ( -15.626 5.173 2.998) 16.731 11.132 ( -15.193 3.566 -5.528) 16.556 11.452 ( 5.683 2.833 7.077) 9.508 11.611 ( 7.622 -3.174 -6.700) 10.633 11.823 ( -1.865 3.049 17.268) 17.634 11.924 ( 3.399 6.897 11.746) 14.039 12.094 ( 0.168 5.340 -7.255) 9.010 12.163 ( -4.551 -2.314 -13.722) 14.641 12.337 ( -4.331 15.923 1.365) 16.558 12.441 ( -1.693 12.124 -9.111) 15.260 12.949 ( 5.071 5.403 8.149) 11.014 13.011 ( 2.159 5.149 2.187) 5.996 13.235 ( -4.162 2.113 5.854) 7.487 13.270 ( -3.478 2.409 2.189) 4.764 13.763 ( 4.934 2.526 4.970) 7.445 13.813 ( 2.899 -0.799 1.398) 3.317 13.922 ( 2.888 -1.685 4.005) 5.217 14.030 ( 0.444 -3.295 -5.433) 6.369 15.268 ( 6.376 2.081 8.689) 10.977 15.363 ( 1.518 -1.221 18.203) 18.307 15.444 ( 0.643 7.218 3.799) 8.182 15.645 ( 2.044 0.468 -9.312) 9.545 15.720 ( -3.228 -5.731 -2.486) 7.032 15.844 ( 0.049 -6.561 -20.253) 21.289 15.916 ( -1.784 -0.981 -22.761) 22.852 15.943 ( -2.412 -1.838 -18.045) 18.298 17.856 ( 1.217 1.855 11.870) 12.076 17.870 ( 0.317 2.060 10.345) 10.553 17.944 ( -0.692 4.707 12.161) 13.059 18.073 ( -3.094 -0.927 -0.371) 3.251 19.203 ( 1.004 6.353 3.641) 7.391 19.315 ( -1.668 0.743 -3.301) 3.772 19.429 ( 1.743 -5.124 2.027) 5.779 19.593 ( -2.087 -11.370 -9.943) 15.248 22.384 ( 4.029 -2.802 1.669) 5.184 22.419 ( 4.118 -4.259 -2.100) 6.285 22.789 ( -4.580 -7.859 2.178) 9.353 22.826 ( -4.611 -9.153 -1.805) 10.407 24.290 ( 1.796 -0.947 1.006) 2.266 24.309 ( 2.246 -1.874 -1.021) 3.098 24.446 ( -0.707 -0.928 0.966) 1.514 24.461 ( -0.168 -1.614 -0.642) 1.745 ======================= Grid point 182 (69/72) ======================= q-point: ( 0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 2.916 6.457 2.995) 7.692 2.855 ( -0.067 6.831 -1.395) 6.973 2.896 ( -1.307 5.070 -0.843) 5.303 2.947 ( -3.698 5.686 -4.335) 8.049 3.102 ( 0.310 5.993 0.833) 6.059 3.111 ( -0.508 5.640 0.080) 5.663 3.285 ( 1.158 0.357 0.163) 1.223 3.304 ( -0.507 -0.939 -1.727) 2.030 3.356 ( 2.335 2.693 1.759) 3.974 3.378 ( 2.035 1.249 -0.487) 2.437 3.477 ( -1.813 -0.968 2.402) 3.161 3.504 ( -3.031 -1.511 -0.195) 3.392 3.717 ( 4.388 1.177 0.927) 4.637 3.733 ( 4.474 1.022 -0.734) 4.648 3.822 ( -3.826 -1.978 1.524) 4.568 3.848 ( -4.678 -2.876 -1.107) 5.602 4.387 ( 6.303 4.646 5.232) 9.417 4.398 ( 4.024 4.137 3.887) 6.958 4.496 ( -5.399 4.695 6.082) 9.391 4.534 ( -7.788 2.778 3.118) 8.837 4.966 ( 4.974 6.967 -1.435) 8.680 5.033 ( -0.005 5.591 -2.940) 6.317 5.042 ( 0.955 3.947 -7.514) 8.542 5.066 ( -0.413 4.878 -5.988) 7.735 5.972 ( -0.762 2.226 1.580) 2.834 5.983 ( -1.841 2.055 0.988) 2.931 6.051 ( 0.067 -1.455 -1.893) 2.389 6.069 ( -1.628 -1.407 -3.287) 3.929 7.108 ( 2.832 3.561 2.295) 5.096 7.143 ( 3.451 2.441 -0.495) 4.256 7.217 ( -4.753 2.847 3.737) 6.683 7.286 ( -7.367 0.566 -2.368) 7.759 7.704 ( 12.930 9.527 1.151) 16.102 7.735 ( 11.959 9.961 -2.015) 15.694 8.004 ( 2.278 5.050 9.919) 11.361 8.096 ( -6.842 2.992 2.912) 8.016 8.138 ( 0.785 3.221 14.799) 15.166 8.235 ( -7.629 5.464 9.317) 13.224 8.455 ( 2.422 -3.020 -15.926) 16.390 8.520 ( -4.026 -6.034 -16.972) 18.458 9.093 ( 5.806 4.767 4.142) 8.578 9.171 ( 3.604 1.684 -2.697) 4.807 9.207 ( -4.152 3.766 5.382) 7.771 9.265 ( -3.534 -3.240 -2.373) 5.350 9.526 ( 2.972 -9.770 -2.259) 10.459 9.563 ( -1.024 -5.535 -1.951) 5.958 9.701 ( 3.050 -10.506 -8.290) 13.726 9.720 ( 0.843 -9.210 -11.238) 14.554 10.099 ( 17.582 4.431 3.318) 18.433 10.154 ( 12.066 4.087 -2.294) 12.945 10.221 ( 10.041 2.820 1.456) 10.530 10.263 ( 14.476 -1.016 -3.473) 14.921 10.506 ( -17.605 8.381 6.334) 20.501 10.602 ( -15.609 9.117 -2.529) 18.252 10.666 ( -19.081 0.619 6.087) 20.038 10.774 ( -19.572 -0.044 -5.906) 20.444 11.585 ( 7.449 1.620 12.190) 14.377 11.732 ( -6.330 -0.138 14.852) 16.146 11.773 ( 7.857 -4.798 -2.927) 9.660 11.924 ( -5.495 -4.150 4.355) 8.147 12.114 ( 3.257 12.816 -7.716) 15.310 12.164 ( 3.128 13.237 -4.733) 14.402 12.250 ( -2.266 12.283 -0.602) 12.505 12.346 ( -7.007 10.167 -8.361) 14.912 13.057 ( 4.960 4.473 6.842) 9.562 13.083 ( 4.438 5.614 3.840) 8.121 13.154 ( -3.661 4.978 6.020) 8.627 13.189 ( -4.464 4.539 2.314) 6.774 13.839 ( 2.377 2.057 4.704) 5.658 13.855 ( 0.818 2.406 4.699) 5.342 13.988 ( 3.127 -4.420 -1.682) 5.670 14.029 ( -0.871 -4.005 -4.451) 6.050 15.394 ( 2.847 0.890 15.485) 15.770 15.424 ( 3.180 2.862 10.524) 11.360 15.450 ( 3.942 -0.738 10.921) 11.634 15.608 ( -7.473 -4.753 3.636) 9.574 15.723 ( 5.281 0.880 -16.052) 16.922 15.831 ( -4.325 -0.499 -18.015) 18.534 15.870 ( 0.408 -4.054 -23.961) 24.305 15.900 ( -1.861 -2.854 -24.922) 25.154 17.879 ( 0.626 3.058 10.514) 10.968 17.883 ( 0.647 3.430 10.057) 10.645 17.942 ( 1.223 1.297 9.988) 10.146 17.999 ( -3.890 -0.503 4.496) 5.967 19.232 ( 1.877 5.555 4.111) 7.161 19.274 ( -2.271 3.723 3.020) 5.305 19.476 ( 2.940 -7.159 -6.312) 9.987 19.539 ( -3.149 -9.340 -9.333) 13.575 22.488 ( 5.748 -3.369 1.389) 6.805 22.518 ( 4.517 -4.206 -1.882) 6.453 22.681 ( -4.789 -8.003 1.934) 9.526 22.712 ( -6.066 -8.764 -1.371) 10.746 24.331 ( 1.943 0.409 0.793) 2.138 24.347 ( 0.842 0.227 -0.865) 1.228 24.436 ( 0.024 -3.438 0.929) 3.561 24.450 ( -0.923 -3.526 -0.555) 3.687 ======================= Grid point 185 (70/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 0.000 -0.480 0.301) 0.567 2.781 ( 0.000 0.480 0.301) 0.567 3.112 ( 0.000 -1.185 -1.745) 2.109 3.112 ( 0.000 1.185 -1.745) 2.109 3.171 ( 0.000 -0.480 1.786) 1.850 3.171 ( 0.000 0.480 1.786) 1.850 3.179 ( 0.000 -0.228 -1.254) 1.274 3.179 ( 0.000 0.228 -1.254) 1.274 3.456 ( 0.000 -1.304 0.642) 1.453 3.456 ( 0.000 1.304 0.642) 1.453 3.538 ( 0.000 -0.794 0.448) 0.912 3.538 ( 0.000 0.794 0.448) 0.912 3.617 ( 0.000 -0.625 2.425) 2.504 3.617 ( 0.000 0.625 2.425) 2.504 3.879 ( 0.000 -0.810 0.476) 0.940 3.879 ( 0.000 0.810 0.476) 0.940 4.384 ( 0.000 -1.262 1.727) 2.139 4.384 ( 0.000 1.262 1.727) 2.139 4.746 ( 0.000 -0.145 -5.228) 5.230 4.746 ( 0.000 0.145 -5.228) 5.230 4.886 ( 0.000 -1.388 7.945) 8.065 4.886 ( 0.000 1.389 7.945) 8.065 5.095 ( 0.000 -0.304 -6.725) 6.732 5.095 ( 0.000 0.305 -6.725) 6.732 6.074 ( 0.000 -1.094 0.275) 1.128 6.074 ( 0.000 1.094 0.275) 1.128 6.104 ( 0.000 -2.366 -1.427) 2.763 6.104 ( 0.000 2.366 -1.427) 2.764 7.124 ( 0.000 -1.879 -0.211) 1.890 7.124 ( 0.000 1.879 -0.211) 1.890 7.317 ( 0.000 -0.127 0.199) 0.237 7.317 ( 0.000 0.127 0.199) 0.237 7.633 ( 0.000 -5.810 1.786) 6.078 7.633 ( 0.000 5.810 1.786) 6.079 7.931 ( 0.000 -3.704 1.138) 3.875 7.931 ( 0.000 3.704 1.138) 3.875 8.290 ( 0.000 -9.213 1.622) 9.355 8.290 ( 0.000 9.214 1.622) 9.355 8.476 ( 0.000 -6.396 2.466) 6.855 8.476 ( 0.000 6.396 2.466) 6.855 9.101 ( 0.000 -6.008 7.513) 9.620 9.101 ( 0.000 6.008 7.513) 9.620 9.287 ( 0.000 -1.139 -10.844) 10.904 9.287 ( 0.000 1.139 -10.844) 10.904 9.391 ( 0.000 -7.364 -5.897) 9.434 9.391 ( 0.000 7.364 -5.897) 9.434 9.692 ( 0.000 -3.259 -4.811) 5.811 9.692 ( 0.000 3.259 -4.811) 5.811 9.786 ( 0.000 -5.036 5.247) 7.272 9.786 ( 0.000 5.036 5.247) 7.272 9.945 ( 0.000 -3.869 -8.185) 9.053 9.945 ( 0.000 3.869 -8.185) 9.053 11.138 ( 0.000 -1.206 11.577) 11.639 11.138 ( 0.000 1.207 11.577) 11.639 11.377 ( 0.000 -8.575 -3.007) 9.087 11.377 ( 0.000 8.575 -3.007) 9.087 11.389 ( 0.000 -0.553 -1.925) 2.003 11.389 ( 0.000 0.553 -1.925) 2.003 11.894 ( 0.000 -3.192 16.155) 16.468 11.894 ( 0.000 3.192 16.155) 16.468 12.154 ( 0.000 -1.147 -11.905) 11.960 12.154 ( 0.000 1.147 -11.905) 11.960 12.596 ( 0.000 -1.229 -4.800) 4.955 12.596 ( 0.000 1.230 -4.800) 4.955 13.006 ( 0.000 -4.334 7.519) 8.678 13.006 ( 0.000 4.334 7.519) 8.678 13.282 ( 0.000 -1.927 3.886) 4.337 13.282 ( 0.000 1.927 3.886) 4.337 13.738 ( 0.000 -1.082 0.789) 1.339 13.738 ( 0.000 1.082 0.789) 1.339 13.942 ( 0.000 -3.987 2.276) 4.591 13.942 ( 0.000 3.987 2.276) 4.591 15.263 ( 0.000 -3.460 15.966) 16.337 15.263 ( 0.000 3.461 15.966) 16.337 15.610 ( 0.000 -7.561 3.103) 8.173 15.610 ( 0.000 7.561 3.104) 8.174 15.714 ( 0.000 -6.110 -20.107) 21.015 15.714 ( 0.000 6.110 -20.108) 21.016 15.947 ( 0.000 -1.082 -22.121) 22.148 15.947 ( 0.000 1.082 -22.121) 22.148 17.872 ( 0.000 -0.896 11.790) 11.824 17.872 ( 0.000 0.897 11.790) 11.824 18.051 ( 0.000 -4.074 6.960) 8.065 18.051 ( 0.000 4.074 6.960) 8.065 19.296 ( 0.000 -3.102 -3.193) 4.452 19.296 ( 0.000 3.102 -3.193) 4.452 19.431 ( 0.000 -5.651 -1.948) 5.977 19.431 ( 0.000 5.651 -1.948) 5.977 22.328 ( 0.000 -0.907 0.081) 0.911 22.328 ( 0.000 0.907 0.081) 0.911 22.758 ( 0.000 -1.086 -0.096) 1.090 22.758 ( 0.000 1.086 -0.096) 1.090 24.258 ( 0.000 -0.227 0.078) 0.240 24.258 ( 0.000 0.227 0.078) 0.240 24.451 ( 0.000 -0.058 0.080) 0.099 24.451 ( 0.000 0.058 0.080) 0.099 ======================= Grid point 187 (71/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 2.904 -1.619 -0.005) 3.324 2.811 ( 2.904 1.619 -0.005) 3.324 3.070 ( -3.629 -1.536 -0.917) 4.046 3.070 ( -3.629 1.536 -0.917) 4.046 3.185 ( 1.369 -2.579 0.753) 3.016 3.185 ( 1.369 2.580 0.753) 3.016 3.200 ( 1.588 -2.929 -1.233) 3.553 3.200 ( 1.588 2.929 -1.233) 3.553 3.431 ( -1.880 -0.961 0.883) 2.288 3.431 ( -1.880 0.961 0.883) 2.288 3.516 ( -2.248 -1.040 0.908) 2.638 3.516 ( -2.248 1.040 0.908) 2.638 3.656 ( 3.321 -0.512 1.420) 3.648 3.656 ( 3.321 0.512 1.420) 3.648 3.867 ( -1.458 -0.779 0.133) 1.658 3.867 ( -1.458 0.779 0.133) 1.658 4.384 ( 0.749 -1.102 2.598) 2.920 4.384 ( 0.749 1.102 2.598) 2.920 4.676 ( -5.481 -1.811 1.160) 5.888 4.676 ( -5.481 1.811 1.160) 5.888 4.957 ( 5.247 -2.478 1.146) 5.915 4.957 ( 5.247 2.478 1.146) 5.915 5.107 ( 0.837 -0.414 -6.383) 6.451 5.107 ( 0.837 0.415 -6.383) 6.451 6.043 ( -2.419 -1.082 -0.065) 2.651 6.043 ( -2.419 1.083 -0.065) 2.651 6.082 ( -2.022 -1.962 -1.178) 3.054 6.082 ( -2.022 1.962 -1.178) 3.054 7.110 ( 0.267 -0.553 -0.760) 0.977 7.110 ( 0.267 0.553 -0.760) 0.977 7.445 ( -3.160 -0.710 5.046) 5.996 7.445 ( -3.160 0.710 5.046) 5.996 7.522 ( 7.271 -2.419 -2.244) 7.985 7.522 ( 7.271 2.419 -2.244) 7.985 8.044 ( 6.113 -5.797 1.543) 8.565 8.044 ( 6.113 5.797 1.543) 8.565 8.284 ( -0.536 -9.763 1.747) 9.933 8.284 ( -0.536 9.764 1.747) 9.933 8.462 ( -2.431 -6.238 3.138) 7.394 8.462 ( -2.431 6.239 3.138) 7.394 9.141 ( 3.029 -5.429 4.708) 7.799 9.141 ( 3.029 5.429 4.708) 7.799 9.277 ( -1.284 -2.987 -8.139) 8.765 9.277 ( -1.284 2.987 -8.140) 8.765 9.410 ( 2.527 -6.932 -5.555) 9.235 9.410 ( 2.527 6.932 -5.555) 9.236 9.638 ( -3.392 -4.929 -6.504) 8.838 9.638 ( -3.392 4.929 -6.504) 8.838 9.880 ( 8.643 -3.107 0.337) 9.191 9.880 ( 8.643 3.108 0.337) 9.191 10.034 ( 8.915 -0.757 -2.665) 9.336 10.034 ( 8.915 0.757 -2.665) 9.336 10.958 ( -14.778 -1.480 9.313) 17.530 10.958 ( -14.778 1.480 9.313) 17.530 11.168 ( -17.451 -1.342 -4.191) 17.997 11.168 ( -17.451 1.342 -4.191) 17.998 11.505 ( 6.685 -4.464 0.499) 8.054 11.505 ( 6.685 4.464 0.499) 8.054 11.884 ( -2.149 -4.910 14.467) 15.428 11.884 ( -2.149 4.910 14.467) 15.428 12.179 ( 3.077 -0.807 -9.744) 10.250 12.179 ( 3.077 0.807 -9.744) 10.250 12.542 ( -4.884 -3.327 -3.196) 6.719 12.542 ( -4.884 3.328 -3.196) 6.719 13.049 ( 3.982 -2.967 6.240) 7.975 13.049 ( 3.982 2.967 6.240) 7.975 13.267 ( -1.523 -1.868 4.063) 4.724 13.267 ( -1.523 1.868 4.063) 4.724 13.792 ( 4.582 -1.383 0.984) 4.886 13.792 ( 4.582 1.383 0.984) 4.886 13.945 ( 0.090 -3.835 2.041) 4.345 13.945 ( 0.090 3.836 2.041) 4.346 15.302 ( 3.802 -2.198 15.176) 15.799 15.302 ( 3.802 2.198 15.176) 15.799 15.587 ( -2.465 -6.587 7.291) 10.130 15.587 ( -2.465 6.587 7.292) 10.131 15.732 ( 1.954 -5.531 -23.389) 24.113 15.732 ( 1.954 5.531 -23.389) 24.114 15.925 ( -2.159 -0.743 -22.497) 22.612 15.925 ( -2.159 0.743 -22.497) 22.612 17.883 ( 1.080 -0.594 11.393) 11.459 17.883 ( 1.080 0.594 11.393) 11.459 18.026 ( -2.324 -3.409 7.480) 8.543 18.026 ( -2.324 3.409 7.480) 8.543 19.310 ( 1.325 -3.530 -3.117) 4.892 19.310 ( 1.325 3.530 -3.117) 4.892 19.418 ( -1.225 -5.509 -2.116) 6.027 19.418 ( -1.225 5.509 -2.116) 6.027 22.367 ( 3.773 -0.973 0.069) 3.897 22.367 ( 3.773 0.973 0.069) 3.897 22.713 ( -4.360 -1.093 -0.074) 4.496 22.713 ( -4.360 1.093 -0.074) 4.496 24.285 ( 2.505 -0.475 0.077) 2.550 24.285 ( 2.505 0.475 0.077) 2.550 24.439 ( -1.194 -0.388 0.079) 1.258 24.439 ( -1.194 0.388 0.079) 1.258 ======================= Grid point 189 (72/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 4.594 -2.155 -0.566) 5.106 2.888 ( 4.594 2.155 -0.566) 5.106 2.983 ( -4.803 -1.901 -0.787) 5.225 2.983 ( -4.803 1.901 -0.787) 5.225 3.216 ( 1.484 -2.768 0.035) 3.141 3.216 ( 1.484 2.768 0.035) 3.141 3.228 ( 0.660 -2.853 -0.761) 3.026 3.228 ( 0.660 2.853 -0.761) 3.026 3.410 ( 0.476 -0.556 1.057) 1.285 3.410 ( 0.476 0.556 1.057) 1.285 3.455 ( -3.395 -1.272 1.218) 3.825 3.455 ( -3.395 1.272 1.218) 3.825 3.733 ( 4.246 -0.516 0.137) 4.279 3.733 ( 4.246 0.516 0.137) 4.279 3.815 ( -3.706 -0.699 -0.334) 3.786 3.815 ( -3.706 0.699 -0.334) 3.786 4.438 ( 4.702 -0.268 4.308) 6.383 4.438 ( 4.702 0.268 4.308) 6.383 4.554 ( -6.465 -0.978 4.359) 7.858 4.554 ( -6.465 0.978 4.359) 7.858 5.055 ( 4.107 -1.815 -3.356) 5.605 5.055 ( 4.107 1.815 -3.356) 5.605 5.108 ( -1.150 -0.820 -5.464) 5.643 5.108 ( -1.150 0.821 -5.464) 5.643 6.012 ( -0.139 -1.235 -0.444) 1.319 6.012 ( -0.139 1.235 -0.444) 1.320 6.036 ( -2.205 -1.527 -0.805) 2.800 6.036 ( -2.205 1.527 -0.805) 2.800 7.153 ( 4.080 -0.964 0.124) 4.195 7.153 ( 4.080 0.965 0.124) 4.195 7.272 ( -7.907 -2.023 1.430) 8.286 7.272 ( -7.907 2.023 1.430) 8.286 7.839 ( 16.940 -1.817 2.103) 17.167 7.839 ( 16.940 1.817 2.103) 17.167 8.077 ( -4.643 -3.406 1.126) 5.868 8.077 ( -4.643 3.407 1.126) 5.868 8.282 ( 1.185 -10.738 2.513) 11.092 8.282 ( 1.185 10.738 2.513) 11.092 8.360 ( -6.449 -7.366 2.278) 10.052 8.360 ( -6.449 7.366 2.278) 10.052 9.190 ( 2.123 -3.662 0.261) 4.241 9.190 ( 2.123 3.662 0.261) 4.241 9.236 ( -2.472 -2.295 -3.525) 4.879 9.236 ( -2.472 2.295 -3.525) 4.879 9.491 ( 4.639 -4.238 -5.972) 8.669 9.491 ( 4.639 4.238 -5.972) 8.669 9.571 ( -3.519 -2.124 -7.891) 8.897 9.571 ( -3.519 2.124 -7.891) 8.898 10.162 ( 18.837 -1.940 -1.587) 19.003 10.162 ( 18.837 1.941 -1.587) 19.003 10.273 ( 13.362 -0.886 1.246) 13.449 10.273 ( 13.362 0.886 1.246) 13.449 10.631 ( -16.077 -3.511 7.129) 17.934 10.631 ( -16.077 3.511 7.129) 17.934 10.742 ( -22.630 -3.683 -4.723) 23.409 10.742 ( -22.630 3.683 -4.723) 23.409 11.644 ( 7.342 -5.116 3.343) 9.553 11.644 ( 7.342 5.116 3.343) 9.553 11.789 ( -6.796 -5.642 7.814) 11.793 11.789 ( -6.796 5.642 7.814) 11.793 12.283 ( 6.780 -1.824 -4.131) 8.146 12.283 ( 6.780 1.825 -4.131) 8.146 12.422 ( -6.871 -3.275 -2.079) 7.891 12.422 ( -6.871 3.276 -2.079) 7.891 13.141 ( 4.671 -1.863 5.054) 7.129 13.141 ( 4.671 1.863 5.054) 7.130 13.221 ( -3.236 -1.729 4.483) 5.793 13.221 ( -3.236 1.730 4.483) 5.793 13.882 ( 3.900 -2.555 1.306) 4.842 13.882 ( 3.900 2.555 1.306) 4.842 13.935 ( -1.401 -3.413 1.631) 4.034 13.935 ( -1.401 3.413 1.631) 4.034 15.401 ( 5.710 -1.046 13.281) 14.494 15.401 ( 5.710 1.047 13.281) 14.494 15.511 ( -4.991 -4.224 10.984) 12.783 15.511 ( -4.991 4.224 10.984) 12.783 15.790 ( 3.652 -3.757 -24.576) 25.128 15.790 ( 3.652 3.758 -24.576) 25.128 15.865 ( -3.647 -1.570 -23.524) 23.857 15.865 ( -3.647 1.570 -23.524) 23.857 17.916 ( 2.257 -0.456 10.283) 10.537 17.916 ( 2.257 0.456 10.283) 10.538 17.970 ( -3.015 -1.902 8.785) 9.481 17.970 ( -3.015 1.902 8.785) 9.481 19.344 ( 2.031 -4.352 -2.879) 5.599 19.344 ( 2.031 4.352 -2.878) 5.599 19.385 ( -1.978 -5.068 -2.501) 5.987 19.385 ( -1.978 5.068 -2.501) 5.987 22.469 ( 6.239 -1.069 0.033) 6.330 22.469 ( 6.239 1.069 0.033) 6.330 22.600 ( -6.578 -1.103 -0.022) 6.670 22.600 ( -6.578 1.103 -0.022) 6.670 24.345 ( 3.246 -0.684 0.077) 3.318 24.345 ( 3.246 0.684 0.077) 3.318 24.403 ( -2.462 -0.647 0.078) 2.547 24.403 ( -2.462 0.647 0.078) 2.547 =================== 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 4556.454 6593.431 5833.067 0.000 0.000 -0.000 3/33600 20.0 720.708 1275.118 967.685 0.000 0.000 -0.000 3/33600 30.0 231.775 450.697 326.473 0.000 0.000 -0.000 3/33600 40.0 112.608 229.833 159.777 0.000 0.000 -0.000 3/33600 50.0 67.317 139.999 95.359 0.000 0.000 -0.000 3/33600 60.0 45.298 94.837 63.979 0.000 0.000 -0.000 3/33600 70.0 32.911 69.062 46.341 0.000 0.000 -0.000 3/33600 80.0 25.250 53.034 35.445 0.000 0.000 -0.000 3/33600 90.0 20.182 42.415 28.246 0.000 0.000 -0.000 3/33600 100.0 16.654 35.023 23.242 0.000 0.000 -0.000 3/33600 110.0 14.095 29.666 19.620 0.000 0.000 -0.000 3/33600 120.0 12.177 25.652 16.911 0.000 0.000 -0.000 3/33600 130.0 10.696 22.559 14.827 0.000 0.000 -0.000 3/33600 140.0 9.527 20.117 13.185 0.000 0.000 -0.000 3/33600 150.0 8.583 18.149 11.866 0.000 0.000 -0.000 3/33600 160.0 7.808 16.535 10.786 0.000 0.000 -0.000 3/33600 170.0 7.162 15.191 9.889 0.000 0.000 -0.000 3/33600 180.0 6.616 14.056 9.132 0.000 0.000 -0.000 3/33600 190.0 6.149 13.085 8.487 0.000 0.000 -0.000 3/33600 200.0 5.745 12.247 7.930 0.000 0.000 -0.000 3/33600 210.0 5.393 11.516 7.445 0.000 0.000 -0.000 3/33600 220.0 5.083 10.872 7.019 0.000 0.000 -0.000 3/33600 230.0 4.808 10.302 6.642 0.000 0.000 -0.000 3/33600 240.0 4.562 9.792 6.305 0.000 0.000 -0.000 3/33600 250.0 4.342 9.335 6.003 0.000 0.000 -0.000 3/33600 260.0 4.142 8.921 5.730 0.000 0.000 -0.000 3/33600 270.0 3.962 8.545 5.483 0.000 0.000 -0.000 3/33600 280.0 3.797 8.202 5.257 0.000 0.000 -0.000 3/33600 290.0 3.645 7.887 5.050 0.000 0.000 -0.000 3/33600 300.0 3.506 7.597 4.860 0.000 0.000 -0.000 3/33600 310.0 3.378 7.330 4.684 0.000 0.000 -0.000 3/33600 320.0 3.259 7.082 4.521 0.000 0.000 -0.000 3/33600 330.0 3.149 6.851 4.370 0.000 0.000 -0.000 3/33600 340.0 3.046 6.635 4.229 0.000 0.000 -0.000 3/33600 350.0 2.950 6.434 4.097 0.000 0.000 -0.000 3/33600 360.0 2.860 6.245 3.974 0.000 0.000 -0.000 3/33600 370.0 2.776 6.068 3.858 0.000 0.000 -0.000 3/33600 380.0 2.697 5.901 3.749 0.000 0.000 -0.000 3/33600 390.0 2.622 5.743 3.646 0.000 0.000 -0.000 3/33600 400.0 2.552 5.594 3.549 0.000 0.000 -0.000 3/33600 410.0 2.485 5.453 3.457 0.000 0.000 -0.000 3/33600 420.0 2.422 5.319 3.370 0.000 0.000 -0.000 3/33600 430.0 2.362 5.191 3.287 0.000 0.000 -0.000 3/33600 440.0 2.305 5.070 3.209 0.000 0.000 -0.000 3/33600 450.0 2.251 4.955 3.134 0.000 0.000 -0.000 3/33600 460.0 2.199 4.845 3.063 0.000 0.000 -0.000 3/33600 470.0 2.150 4.739 2.995 0.000 0.000 -0.000 3/33600 480.0 2.103 4.639 2.930 0.000 0.000 -0.000 3/33600 490.0 2.058 4.543 2.867 0.000 0.000 -0.000 3/33600 500.0 2.015 4.450 2.808 0.000 0.000 -0.000 3/33600 510.0 1.974 4.362 2.751 0.000 0.000 -0.000 3/33600 520.0 1.934 4.277 2.696 0.000 0.000 -0.000 3/33600 530.0 1.896 4.195 2.644 0.000 0.000 -0.000 3/33600 540.0 1.860 4.117 2.593 0.000 0.000 -0.000 3/33600 550.0 1.825 4.041 2.545 0.000 0.000 -0.000 3/33600 560.0 1.791 3.969 2.498 0.000 0.000 -0.000 3/33600 570.0 1.759 3.898 2.453 0.000 0.000 -0.000 3/33600 580.0 1.727 3.831 2.410 0.000 0.000 -0.000 3/33600 590.0 1.697 3.765 2.368 0.000 0.000 -0.000 3/33600 600.0 1.668 3.702 2.327 0.000 0.000 -0.000 3/33600 610.0 1.640 3.641 2.288 0.000 0.000 -0.000 3/33600 620.0 1.613 3.582 2.251 0.000 0.000 -0.000 3/33600 630.0 1.587 3.525 2.214 0.000 0.000 -0.000 3/33600 640.0 1.561 3.470 2.179 0.000 0.000 -0.000 3/33600 650.0 1.537 3.416 2.145 0.000 0.000 -0.000 3/33600 660.0 1.513 3.364 2.111 0.000 0.000 -0.000 3/33600 670.0 1.490 3.314 2.079 0.000 0.000 -0.000 3/33600 680.0 1.467 3.265 2.048 0.000 0.000 -0.000 3/33600 690.0 1.446 3.218 2.018 0.000 0.000 -0.000 3/33600 700.0 1.425 3.172 1.989 0.000 0.000 -0.000 3/33600 710.0 1.404 3.127 1.960 0.000 0.000 -0.000 3/33600 720.0 1.384 3.083 1.933 0.000 0.000 -0.000 3/33600 730.0 1.365 3.041 1.906 0.000 0.000 -0.000 3/33600 740.0 1.346 3.000 1.880 0.000 0.000 -0.000 3/33600 750.0 1.328 2.960 1.854 0.000 0.000 -0.000 3/33600 760.0 1.310 2.921 1.829 0.000 0.000 -0.000 3/33600 770.0 1.293 2.883 1.805 0.000 0.000 -0.000 3/33600 780.0 1.276 2.846 1.782 0.000 0.000 -0.000 3/33600 790.0 1.260 2.810 1.759 0.000 0.000 -0.000 3/33600 800.0 1.244 2.775 1.737 0.000 0.000 -0.000 3/33600 810.0 1.228 2.741 1.715 0.000 0.000 -0.000 3/33600 820.0 1.213 2.707 1.694 0.000 0.000 -0.000 3/33600 830.0 1.198 2.675 1.673 0.000 0.000 -0.000 3/33600 840.0 1.184 2.643 1.653 0.000 0.000 -0.000 3/33600 850.0 1.169 2.612 1.634 0.000 0.000 -0.000 3/33600 860.0 1.156 2.581 1.614 0.000 0.000 -0.000 3/33600 870.0 1.142 2.552 1.596 0.000 0.000 -0.000 3/33600 880.0 1.129 2.523 1.577 0.000 0.000 -0.000 3/33600 890.0 1.116 2.494 1.559 0.000 0.000 -0.000 3/33600 900.0 1.104 2.467 1.542 0.000 0.000 -0.000 3/33600 910.0 1.091 2.440 1.525 0.000 0.000 -0.000 3/33600 920.0 1.079 2.413 1.508 0.000 0.000 -0.000 3/33600 930.0 1.068 2.387 1.492 0.000 0.000 -0.000 3/33600 940.0 1.056 2.362 1.476 0.000 0.000 -0.000 3/33600 950.0 1.045 2.337 1.460 0.000 0.000 -0.000 3/33600 960.0 1.034 2.313 1.445 0.000 0.000 -0.000 3/33600 970.0 1.023 2.289 1.430 0.000 0.000 -0.000 3/33600 980.0 1.013 2.266 1.415 0.000 0.000 -0.000 3/33600 990.0 1.002 2.243 1.401 0.000 0.000 -0.000 3/33600 1000.0 0.992 2.220 1.387 0.000 0.000 -0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:26:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|