# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/3817b255-1460-4796-906f-d56d6bbd6394/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for RbSm2CuSe4 / Cmcm (63) / materials id 16116](https://mdr.nims.go.jp/datasets/eb4f88fa-a10e-498b-bd53-edc5197b1bed) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 01:47:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 2.068860565000000 -7.160642395000000 0.000000000000000 b 2.068860565000000 7.160642395000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.370102579999998Atomic positions (fractional): *1 Cu 0.16195657847693 0.83804342152307 0.25000000000000 63.546 2 Cu 0.83804342152307 0.16195657847693 0.75000000000000 63.546 *3 Se 0.42926569494244 0.57073430505756 0.75000000000000 78.960 4 Se 0.57073430505756 0.42926569494244 0.25000000000000 78.960 *5 Se 0.73760635612302 0.26239364387698 0.61243079126682 78.960 6 Se 0.26239364387698 0.73760635612302 0.38756920873318 78.960 *7 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 8 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 9 Se 0.73760635612302 0.26239364387698 0.88756920873318 78.960 10 Se 0.26239364387698 0.73760635612302 0.11243079126682 78.960 *11 Rb 0.89118393439349 0.10881606560651 0.25000000000000 85.468 12 Rb 0.10881606560651 0.89118393439349 0.75000000000000 85.468 *13 Sm 0.36582428420508 0.63417571579492 0.56262016376124 150.360 14 Sm 0.63417571579492 0.36582428420508 0.43737983623876 150.360 15 Sm 0.36582428420508 0.63417571579492 0.93737983623876 150.360 16 Sm 0.63417571579492 0.36582428420508 0.06262016376123 150.360-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.137721130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.321284790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.370102579999998Atomic positions (fractional): *1 Cu 0.50000000000000 0.33804342152307 0.25000000000000 63.546 > 1 2 Cu 0.00000000000000 0.16195657847693 0.75000000000000 63.546 > 2 3 Cu 0.00000000000000 0.83804342152307 0.25000000000000 63.546 > 1 4 Cu 0.50000000000000 0.66195657847693 0.75000000000000 63.546 > 2 *5 Se 0.50000000000000 0.07073430505756 0.75000000000000 78.960 > 3 6 Se 0.00000000000000 0.42926569494244 0.25000000000000 78.960 > 4 *7 Se 0.00000000000000 0.26239364387698 0.61243079126682 78.960 > 5 8 Se 0.50000000000000 0.23760635612302 0.38756920873318 78.960 > 6 *9 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 7 10 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 8 11 Se 0.00000000000000 0.26239364387698 0.88756920873318 78.960 > 9 12 Se 0.50000000000000 0.23760635612302 0.11243079126682 78.960 > 10 13 Se 0.00000000000000 0.57073430505756 0.75000000000000 78.960 > 3 14 Se 0.50000000000000 0.92926569494244 0.25000000000000 78.960 > 4 15 Se 0.50000000000000 0.76239364387698 0.61243079126682 78.960 > 5 16 Se 0.00000000000000 0.73760635612302 0.38756920873318 78.960 > 6 17 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 7 18 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 > 8 19 Se 0.50000000000000 0.76239364387698 0.88756920873318 78.960 > 9 20 Se 0.00000000000000 0.73760635612302 0.11243079126682 78.960 > 10 *21 Rb 0.00000000000000 0.10881606560651 0.25000000000000 85.468 > 11 22 Rb 0.50000000000000 0.39118393439349 0.75000000000000 85.468 > 12 23 Rb 0.50000000000000 0.60881606560651 0.25000000000000 85.468 > 11 24 Rb 0.00000000000000 0.89118393439349 0.75000000000000 85.468 > 12 *25 Sm 0.50000000000000 0.13417571579492 0.56262016376124 150.360 > 13 26 Sm 0.00000000000000 0.36582428420508 0.43737983623876 150.360 > 14 27 Sm 0.50000000000000 0.13417571579492 0.93737983623876 150.360 > 15 28 Sm 0.00000000000000 0.36582428420508 0.06262016376123 150.360 > 16 29 Sm 0.00000000000000 0.63417571579492 0.56262016376124 150.360 > 13 30 Sm 0.50000000000000 0.86582428420508 0.43737983623876 150.360 > 14 31 Sm 0.00000000000000 0.63417571579492 0.93737983623876 150.360 > 15 32 Sm 0.50000000000000 0.86582428420508 0.06262016376123 150.360 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 16.550884520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.321284790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.370102579999998Atomic positions (fractional): *1 Cu 0.12500000000000 0.33804342152307 0.25000000000000 63.546 > 1 2 Cu 0.37500000000000 0.33804342152307 0.25000000000000 63.546 > 1 3 Cu 0.62500000000000 0.33804342152307 0.25000000000000 63.546 > 1 4 Cu 0.87500000000000 0.33804342152307 0.25000000000000 63.546 > 1 5 Cu 0.00000000000000 0.16195657847693 0.75000000000000 63.546 > 2 6 Cu 0.25000000000000 0.16195657847693 0.75000000000000 63.546 > 2 7 Cu 0.50000000000000 0.16195657847693 0.75000000000000 63.546 > 2 8 Cu 0.75000000000000 0.16195657847693 0.75000000000000 63.546 > 2 9 Cu 0.00000000000000 0.83804342152307 0.25000000000000 63.546 > 1 10 Cu 0.25000000000000 0.83804342152307 0.25000000000000 63.546 > 1 11 Cu 0.50000000000000 0.83804342152307 0.25000000000000 63.546 > 1 12 Cu 0.75000000000000 0.83804342152307 0.25000000000000 63.546 > 1 13 Cu 0.12500000000000 0.66195657847693 0.75000000000000 63.546 > 2 14 Cu 0.37500000000000 0.66195657847693 0.75000000000000 63.546 > 2 15 Cu 0.62500000000000 0.66195657847693 0.75000000000000 63.546 > 2 16 Cu 0.87500000000000 0.66195657847693 0.75000000000000 63.546 > 2 *17 Se 0.12500000000000 0.07073430505756 0.75000000000000 78.960 > 3 18 Se 0.37500000000000 0.07073430505756 0.75000000000000 78.960 > 3 19 Se 0.62500000000000 0.07073430505756 0.75000000000000 78.960 > 3 20 Se 0.87500000000000 0.07073430505756 0.75000000000000 78.960 > 3 21 Se 0.00000000000000 0.42926569494244 0.25000000000000 78.960 > 4 22 Se 0.25000000000000 0.42926569494244 0.25000000000000 78.960 > 4 23 Se 0.50000000000000 0.42926569494244 0.25000000000000 78.960 > 4 24 Se 0.75000000000000 0.42926569494244 0.25000000000000 78.960 > 4 *25 Se 0.00000000000000 0.26239364387698 0.61243079126682 78.960 > 5 26 Se 0.25000000000000 0.26239364387698 0.61243079126682 78.960 > 5 27 Se 0.50000000000000 0.26239364387698 0.61243079126682 78.960 > 5 28 Se 0.75000000000000 0.26239364387698 0.61243079126682 78.960 > 5 29 Se 0.12500000000000 0.23760635612302 0.38756920873318 78.960 > 6 30 Se 0.37500000000000 0.23760635612302 0.38756920873318 78.960 > 6 31 Se 0.62500000000000 0.23760635612302 0.38756920873318 78.960 > 6 32 Se 0.87500000000000 0.23760635612302 0.38756920873318 78.960 > 6 *33 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 7 34 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 7 35 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 7 36 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 7 37 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 8 38 Se 0.25000000000000 0.00000000000000 0.50000000000000 78.960 > 8 39 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 8 40 Se 0.75000000000000 0.00000000000000 0.50000000000000 78.960 > 8 41 Se 0.00000000000000 0.26239364387698 0.88756920873318 78.960 > 9 42 Se 0.25000000000000 0.26239364387698 0.88756920873318 78.960 > 9 43 Se 0.50000000000000 0.26239364387698 0.88756920873318 78.960 > 9 44 Se 0.75000000000000 0.26239364387698 0.88756920873318 78.960 > 9 45 Se 0.12500000000000 0.23760635612302 0.11243079126682 78.960 > 10 46 Se 0.37500000000000 0.23760635612302 0.11243079126682 78.960 > 10 47 Se 0.62500000000000 0.23760635612302 0.11243079126682 78.960 > 10 48 Se 0.87500000000000 0.23760635612302 0.11243079126682 78.960 > 10 49 Se 0.00000000000000 0.57073430505756 0.75000000000000 78.960 > 3 50 Se 0.25000000000000 0.57073430505756 0.75000000000000 78.960 > 3 51 Se 0.50000000000000 0.57073430505756 0.75000000000000 78.960 > 3 52 Se 0.75000000000000 0.57073430505756 0.75000000000000 78.960 > 3 53 Se 0.12500000000000 0.92926569494244 0.25000000000000 78.960 > 4 54 Se 0.37500000000000 0.92926569494244 0.25000000000000 78.960 > 4 55 Se 0.62500000000000 0.92926569494244 0.25000000000000 78.960 > 4 56 Se 0.87500000000000 0.92926569494244 0.25000000000000 78.960 > 4 57 Se 0.12500000000000 0.76239364387698 0.61243079126682 78.960 > 5 58 Se 0.37500000000000 0.76239364387698 0.61243079126682 78.960 > 5 59 Se 0.62500000000000 0.76239364387698 0.61243079126682 78.960 > 5 60 Se 0.87500000000000 0.76239364387698 0.61243079126682 78.960 > 5 61 Se 0.00000000000000 0.73760635612302 0.38756920873318 78.960 > 6 62 Se 0.25000000000000 0.73760635612302 0.38756920873318 78.960 > 6 63 Se 0.50000000000000 0.73760635612302 0.38756920873318 78.960 > 6 64 Se 0.75000000000000 0.73760635612302 0.38756920873318 78.960 > 6 65 Se 0.12500000000000 0.50000000000000 0.00000000000000 78.960 > 7 66 Se 0.37500000000000 0.50000000000000 0.00000000000000 78.960 > 7 67 Se 0.62500000000000 0.50000000000000 0.00000000000000 78.960 > 7 68 Se 0.87500000000000 0.50000000000000 0.00000000000000 78.960 > 7 69 Se 0.12500000000000 0.50000000000000 0.50000000000000 78.960 > 8 70 Se 0.37500000000000 0.50000000000000 0.50000000000000 78.960 > 8 71 Se 0.62500000000000 0.50000000000000 0.50000000000000 78.960 > 8 72 Se 0.87500000000000 0.50000000000000 0.50000000000000 78.960 > 8 73 Se 0.12500000000000 0.76239364387698 0.88756920873318 78.960 > 9 74 Se 0.37500000000000 0.76239364387698 0.88756920873318 78.960 > 9 75 Se 0.62500000000000 0.76239364387698 0.88756920873318 78.960 > 9 76 Se 0.87500000000000 0.76239364387698 0.88756920873318 78.960 > 9 77 Se 0.00000000000000 0.73760635612302 0.11243079126682 78.960 > 10 78 Se 0.25000000000000 0.73760635612302 0.11243079126682 78.960 > 10 79 Se 0.50000000000000 0.73760635612302 0.11243079126682 78.960 > 10 80 Se 0.75000000000000 0.73760635612302 0.11243079126682 78.960 > 10 *81 Rb 0.00000000000000 0.10881606560651 0.25000000000000 85.468 > 11 82 Rb 0.25000000000000 0.10881606560651 0.25000000000000 85.468 > 11 83 Rb 0.50000000000000 0.10881606560651 0.25000000000000 85.468 > 11 84 Rb 0.75000000000000 0.10881606560651 0.25000000000000 85.468 > 11 85 Rb 0.12500000000000 0.39118393439349 0.75000000000000 85.468 > 12 86 Rb 0.37500000000000 0.39118393439349 0.75000000000000 85.468 > 12 87 Rb 0.62500000000000 0.39118393439349 0.75000000000000 85.468 > 12 88 Rb 0.87500000000000 0.39118393439349 0.75000000000000 85.468 > 12 89 Rb 0.12500000000000 0.60881606560651 0.25000000000000 85.468 > 11 90 Rb 0.37500000000000 0.60881606560651 0.25000000000000 85.468 > 11 91 Rb 0.62500000000000 0.60881606560651 0.25000000000000 85.468 > 11 92 Rb 0.87500000000000 0.60881606560651 0.25000000000000 85.468 > 11 93 Rb 0.00000000000000 0.89118393439349 0.75000000000000 85.468 > 12 94 Rb 0.25000000000000 0.89118393439349 0.75000000000000 85.468 > 12 95 Rb 0.50000000000000 0.89118393439349 0.75000000000000 85.468 > 12 96 Rb 0.75000000000000 0.89118393439349 0.75000000000000 85.468 > 12 *97 Sm 0.12500000000000 0.13417571579492 0.56262016376124 150.360 > 13 98 Sm 0.37500000000000 0.13417571579492 0.56262016376124 150.360 > 13 99 Sm 0.62500000000000 0.13417571579492 0.56262016376124 150.360 > 13 100 Sm 0.87500000000000 0.13417571579492 0.56262016376124 150.360 > 13 101 Sm 0.00000000000000 0.36582428420508 0.43737983623876 150.360 > 14 102 Sm 0.25000000000000 0.36582428420508 0.43737983623876 150.360 > 14 103 Sm 0.50000000000000 0.36582428420508 0.43737983623876 150.360 > 14 104 Sm 0.75000000000000 0.36582428420508 0.43737983623876 150.360 > 14 105 Sm 0.12500000000000 0.13417571579492 0.93737983623876 150.360 > 15 106 Sm 0.37500000000000 0.13417571579492 0.93737983623876 150.360 > 15 107 Sm 0.62500000000000 0.13417571579492 0.93737983623876 150.360 > 15 108 Sm 0.87500000000000 0.13417571579492 0.93737983623876 150.360 > 15 109 Sm 0.00000000000000 0.36582428420508 0.06262016376123 150.360 > 16 110 Sm 0.25000000000000 0.36582428420508 0.06262016376123 150.360 > 16 111 Sm 0.50000000000000 0.36582428420508 0.06262016376123 150.360 > 16 112 Sm 0.75000000000000 0.36582428420508 0.06262016376123 150.360 > 16 113 Sm 0.00000000000000 0.63417571579492 0.56262016376124 150.360 > 13 114 Sm 0.25000000000000 0.63417571579492 0.56262016376124 150.360 > 13 115 Sm 0.50000000000000 0.63417571579492 0.56262016376124 150.360 > 13 116 Sm 0.75000000000000 0.63417571579492 0.56262016376124 150.360 > 13 117 Sm 0.12500000000000 0.86582428420508 0.43737983623876 150.360 > 14 118 Sm 0.37500000000000 0.86582428420508 0.43737983623876 150.360 > 14 119 Sm 0.62500000000000 0.86582428420508 0.43737983623876 150.360 > 14 120 Sm 0.87500000000000 0.86582428420508 0.43737983623876 150.360 > 14 121 Sm 0.00000000000000 0.63417571579492 0.93737983623876 150.360 > 15 122 Sm 0.25000000000000 0.63417571579492 0.93737983623876 150.360 > 15 123 Sm 0.50000000000000 0.63417571579492 0.93737983623876 150.360 > 15 124 Sm 0.75000000000000 0.63417571579492 0.93737983623876 150.360 > 15 125 Sm 0.12500000000000 0.86582428420508 0.06262016376123 150.360 > 16 126 Sm 0.37500000000000 0.86582428420508 0.06262016376123 150.360 > 16 127 Sm 0.62500000000000 0.86582428420508 0.06262016376123 150.360 > 16 128 Sm 0.87500000000000 0.86582428420508 0.06262016376123 150.360 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.9513681 0.0000000 0.0000000 0.0000000 6.9025324 0.0000000 0.0000000 0.0000000 9.3207839-------------------------- Born effective charges -------------------------- 1 Cu 0.6631515 0.0000000 0.0000000 0.0000000 0.4226762 0.0000000 0.0000000 0.0000000 0.5480981 2 Cu 0.6631515 0.0000000 0.0000000 0.0000000 0.4226762 0.0000000 0.0000000 0.0000000 0.5480981 3 Se -1.6875422 0.0000000 0.0000000 0.0000000 -1.4088001 0.0000000 0.0000000 0.0000000 -3.8220643 4 Se -1.6875422 0.0000000 0.0000000 0.0000000 -1.4088001 0.0000000 0.0000000 0.0000000 -3.8220643 5 Se -2.7741879 0.0000000 0.0000000 0.0000000 -2.2728538 0.4544203 0.0000000 0.7543994 -2.9818296 6 Se -2.7741879 0.0000000 0.0000000 0.0000000 -2.2728538 0.4544203 0.0000000 0.7543994 -2.9818296 7 Se -4.4138914 0.0000000 0.0000000 0.0000000 -3.2516202 1.0187551 0.0000000 0.8821965 -1.5596559 8 Se -4.4138914 0.0000000 0.0000000 0.0000000 -3.2516202 -1.0187551 0.0000000 -0.8821965 -1.5596559 9 Se -2.7741879 0.0000000 0.0000000 0.0000000 -2.2728538 -0.4544203 0.0000000 -0.7543994 -2.9818296 10 Se -2.7741879 0.0000000 0.0000000 0.0000000 -2.2728538 -0.4544203 0.0000000 -0.7543994 -2.9818296 11 Rb 1.1176778 0.0000000 0.0000000 0.0000000 1.5950092 0.0000000 0.0000000 0.0000000 1.3017503 12 Rb 1.1176778 0.0000000 0.0000000 0.0000000 1.5950092 0.0000000 0.0000000 0.0000000 1.3017503 13 Sm 4.9344900 0.0000000 0.0000000 0.0000000 3.5942212 -0.0214386 0.0000000 -0.3584266 4.7477656 14 Sm 4.9344900 0.0000000 0.0000000 0.0000000 3.5942212 -0.0214386 0.0000000 -0.3584266 4.7477656 15 Sm 4.9344900 0.0000000 0.0000000 0.0000000 3.5942212 0.0214386 0.0000000 0.3584266 4.7477656 16 Sm 4.9344900 0.0000000 0.0000000 0.0000000 3.5942212 0.0214386 0.0000000 0.3584266 4.7477656----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 384/384Permutation basis: 10992/10992Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1333Number of blocks in projector: 1333Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 280Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 225Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 225Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 225Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 216Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 162Use standard eigh solver.Tree of FC basis block matrices:- (1333, 1309), data: False|-- (162, 162), data: True|-- (216, 216), data: True|-- (225, 219), data: True|-- (225, 219), data: True|-- (225, 219), data: True|-- (280, 274), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 240 - Time: 1.853Solver_block: 200 / 240 - Time: 1.874Solver_block: 240 / 240 - Time: 0.826Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.583--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384Permutation basis: 10992/10992Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1333Number of blocks in projector: 1333Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 280Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 225Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 225Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 225Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 216Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 162Use standard eigh solver.Tree of FC basis block matrices:- (1333, 1309), data: False|-- (162, 162), data: True|-- (216, 216), data: True|-- (225, 219), data: True|-- (225, 219), data: True|-- (225, 219), data: True|-- (280, 274), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 01:48:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:48:05]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [4 1 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.068860565000000 -7.160642395000000 0.000000000000000 b 2.068860565000000 7.160642395000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.370102579999998Atomic positions (fractional): 1 Cu 0.16195657847693 0.83804342152307 0.25000000000000 63.546 2 Cu 0.83804342152307 0.16195657847693 0.75000000000000 63.546 3 Se 0.42926569494244 0.57073430505756 0.75000000000000 78.960 4 Se 0.57073430505756 0.42926569494244 0.25000000000000 78.960 5 Se 0.73760635612302 0.26239364387698 0.61243079126682 78.960 6 Se 0.26239364387698 0.73760635612302 0.38756920873318 78.960 7 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 8 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 9 Se 0.73760635612302 0.26239364387698 0.88756920873318 78.960 10 Se 0.26239364387698 0.73760635612302 0.11243079126682 78.960 11 Rb 0.89118393439349 0.10881606560651 0.25000000000000 85.468 12 Rb 0.10881606560651 0.89118393439349 0.75000000000000 85.468 13 Sm 0.36582428420508 0.63417571579492 0.56262016376124 150.360 14 Sm 0.63417571579492 0.36582428420508 0.43737983623876 150.360 15 Sm 0.36582428420508 0.63417571579492 0.93737983623876 150.360 16 Sm 0.63417571579492 0.36582428420508 0.06262016376123 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 16.550884520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.321284790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.370102579999998Atomic positions (fractional): 1 Cu 0.12500000000000 0.33804342152307 0.25000000000000 63.546 > 1 2 Cu 0.37500000000000 0.33804342152307 0.25000000000000 63.546 > 1 3 Cu 0.62500000000000 0.33804342152307 0.25000000000000 63.546 > 1 4 Cu 0.87500000000000 0.33804342152307 0.25000000000000 63.546 > 1 5 Cu 0.00000000000000 0.16195657847693 0.75000000000000 63.546 > 5 6 Cu 0.25000000000000 0.16195657847693 0.75000000000000 63.546 > 5 7 Cu 0.50000000000000 0.16195657847693 0.75000000000000 63.546 > 5 8 Cu 0.75000000000000 0.16195657847693 0.75000000000000 63.546 > 5 9 Cu 0.00000000000000 0.83804342152307 0.25000000000000 63.546 > 1 10 Cu 0.25000000000000 0.83804342152307 0.25000000000000 63.546 > 1 11 Cu 0.50000000000000 0.83804342152307 0.25000000000000 63.546 > 1 12 Cu 0.75000000000000 0.83804342152307 0.25000000000000 63.546 > 1 13 Cu 0.12500000000000 0.66195657847693 0.75000000000000 63.546 > 5 14 Cu 0.37500000000000 0.66195657847693 0.75000000000000 63.546 > 5 15 Cu 0.62500000000000 0.66195657847693 0.75000000000000 63.546 > 5 16 Cu 0.87500000000000 0.66195657847693 0.75000000000000 63.546 > 5 17 Se 0.12500000000000 0.07073430505756 0.75000000000000 78.960 > 17 18 Se 0.37500000000000 0.07073430505756 0.75000000000000 78.960 > 17 19 Se 0.62500000000000 0.07073430505756 0.75000000000000 78.960 > 17 20 Se 0.87500000000000 0.07073430505756 0.75000000000000 78.960 > 17 21 Se 0.00000000000000 0.42926569494244 0.25000000000000 78.960 > 21 22 Se 0.25000000000000 0.42926569494244 0.25000000000000 78.960 > 21 23 Se 0.50000000000000 0.42926569494244 0.25000000000000 78.960 > 21 24 Se 0.75000000000000 0.42926569494244 0.25000000000000 78.960 > 21 25 Se 0.00000000000000 0.26239364387698 0.61243079126682 78.960 > 25 26 Se 0.25000000000000 0.26239364387698 0.61243079126682 78.960 > 25 27 Se 0.50000000000000 0.26239364387698 0.61243079126682 78.960 > 25 28 Se 0.75000000000000 0.26239364387698 0.61243079126682 78.960 > 25 29 Se 0.12500000000000 0.23760635612302 0.38756920873318 78.960 > 29 30 Se 0.37500000000000 0.23760635612302 0.38756920873318 78.960 > 29 31 Se 0.62500000000000 0.23760635612302 0.38756920873318 78.960 > 29 32 Se 0.87500000000000 0.23760635612302 0.38756920873318 78.960 > 29 33 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 33 34 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 33 35 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 33 36 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 33 37 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 37 38 Se 0.25000000000000 0.00000000000000 0.50000000000000 78.960 > 37 39 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 37 40 Se 0.75000000000000 0.00000000000000 0.50000000000000 78.960 > 37 41 Se 0.00000000000000 0.26239364387698 0.88756920873318 78.960 > 41 42 Se 0.25000000000000 0.26239364387698 0.88756920873318 78.960 > 41 43 Se 0.50000000000000 0.26239364387698 0.88756920873318 78.960 > 41 44 Se 0.75000000000000 0.26239364387698 0.88756920873318 78.960 > 41 45 Se 0.12500000000000 0.23760635612302 0.11243079126682 78.960 > 45 46 Se 0.37500000000000 0.23760635612302 0.11243079126682 78.960 > 45 47 Se 0.62500000000000 0.23760635612302 0.11243079126682 78.960 > 45 48 Se 0.87500000000000 0.23760635612302 0.11243079126682 78.960 > 45 49 Se 0.00000000000000 0.57073430505756 0.75000000000000 78.960 > 17 50 Se 0.25000000000000 0.57073430505756 0.75000000000000 78.960 > 17 51 Se 0.50000000000000 0.57073430505756 0.75000000000000 78.960 > 17 52 Se 0.75000000000000 0.57073430505756 0.75000000000000 78.960 > 17 53 Se 0.12500000000000 0.92926569494244 0.25000000000000 78.960 > 21 54 Se 0.37500000000000 0.92926569494244 0.25000000000000 78.960 > 21 55 Se 0.62500000000000 0.92926569494244 0.25000000000000 78.960 > 21 56 Se 0.87500000000000 0.92926569494244 0.25000000000000 78.960 > 21 57 Se 0.12500000000000 0.76239364387698 0.61243079126682 78.960 > 25 58 Se 0.37500000000000 0.76239364387698 0.61243079126682 78.960 > 25 59 Se 0.62500000000000 0.76239364387698 0.61243079126682 78.960 > 25 60 Se 0.87500000000000 0.76239364387698 0.61243079126682 78.960 > 25 61 Se 0.00000000000000 0.73760635612302 0.38756920873318 78.960 > 29 62 Se 0.25000000000000 0.73760635612302 0.38756920873318 78.960 > 29 63 Se 0.50000000000000 0.73760635612302 0.38756920873318 78.960 > 29 64 Se 0.75000000000000 0.73760635612302 0.38756920873318 78.960 > 29 65 Se 0.12500000000000 0.50000000000000 0.00000000000000 78.960 > 33 66 Se 0.37500000000000 0.50000000000000 0.00000000000000 78.960 > 33 67 Se 0.62500000000000 0.50000000000000 0.00000000000000 78.960 > 33 68 Se 0.87500000000000 0.50000000000000 0.00000000000000 78.960 > 33 69 Se 0.12500000000000 0.50000000000000 0.50000000000000 78.960 > 37 70 Se 0.37500000000000 0.50000000000000 0.50000000000000 78.960 > 37 71 Se 0.62500000000000 0.50000000000000 0.50000000000000 78.960 > 37 72 Se 0.87500000000000 0.50000000000000 0.50000000000000 78.960 > 37 73 Se 0.12500000000000 0.76239364387698 0.88756920873318 78.960 > 41 74 Se 0.37500000000000 0.76239364387698 0.88756920873318 78.960 > 41 75 Se 0.62500000000000 0.76239364387698 0.88756920873318 78.960 > 41 76 Se 0.87500000000000 0.76239364387698 0.88756920873318 78.960 > 41 77 Se 0.00000000000000 0.73760635612302 0.11243079126682 78.960 > 45 78 Se 0.25000000000000 0.73760635612302 0.11243079126682 78.960 > 45 79 Se 0.50000000000000 0.73760635612302 0.11243079126682 78.960 > 45 80 Se 0.75000000000000 0.73760635612302 0.11243079126682 78.960 > 45 81 Rb 0.00000000000000 0.10881606560651 0.25000000000000 85.468 > 81 82 Rb 0.25000000000000 0.10881606560651 0.25000000000000 85.468 > 81 83 Rb 0.50000000000000 0.10881606560651 0.25000000000000 85.468 > 81 84 Rb 0.75000000000000 0.10881606560651 0.25000000000000 85.468 > 81 85 Rb 0.12500000000000 0.39118393439349 0.75000000000000 85.468 > 85 86 Rb 0.37500000000000 0.39118393439349 0.75000000000000 85.468 > 85 87 Rb 0.62500000000000 0.39118393439349 0.75000000000000 85.468 > 85 88 Rb 0.87500000000000 0.39118393439349 0.75000000000000 85.468 > 85 89 Rb 0.12500000000000 0.60881606560651 0.25000000000000 85.468 > 81 90 Rb 0.37500000000000 0.60881606560651 0.25000000000000 85.468 > 81 91 Rb 0.62500000000000 0.60881606560651 0.25000000000000 85.468 > 81 92 Rb 0.87500000000000 0.60881606560651 0.25000000000000 85.468 > 81 93 Rb 0.00000000000000 0.89118393439349 0.75000000000000 85.468 > 85 94 Rb 0.25000000000000 0.89118393439349 0.75000000000000 85.468 > 85 95 Rb 0.50000000000000 0.89118393439349 0.75000000000000 85.468 > 85 96 Rb 0.75000000000000 0.89118393439349 0.75000000000000 85.468 > 85 97 Sm 0.12500000000000 0.13417571579492 0.56262016376124 150.360 > 97 98 Sm 0.37500000000000 0.13417571579492 0.56262016376124 150.360 > 97 99 Sm 0.62500000000000 0.13417571579492 0.56262016376124 150.360 > 97 100 Sm 0.87500000000000 0.13417571579492 0.56262016376124 150.360 > 97 101 Sm 0.00000000000000 0.36582428420508 0.43737983623876 150.360 > 101 102 Sm 0.25000000000000 0.36582428420508 0.43737983623876 150.360 > 101 103 Sm 0.50000000000000 0.36582428420508 0.43737983623876 150.360 > 101 104 Sm 0.75000000000000 0.36582428420508 0.43737983623876 150.360 > 101 105 Sm 0.12500000000000 0.13417571579492 0.93737983623876 150.360 > 105 106 Sm 0.37500000000000 0.13417571579492 0.93737983623876 150.360 > 105 107 Sm 0.62500000000000 0.13417571579492 0.93737983623876 150.360 > 105 108 Sm 0.87500000000000 0.13417571579492 0.93737983623876 150.360 > 105 109 Sm 0.00000000000000 0.36582428420508 0.06262016376123 150.360 > 109 110 Sm 0.25000000000000 0.36582428420508 0.06262016376123 150.360 > 109 111 Sm 0.50000000000000 0.36582428420508 0.06262016376123 150.360 > 109 112 Sm 0.75000000000000 0.36582428420508 0.06262016376123 150.360 > 109 113 Sm 0.00000000000000 0.63417571579492 0.56262016376124 150.360 > 97 114 Sm 0.25000000000000 0.63417571579492 0.56262016376124 150.360 > 97 115 Sm 0.50000000000000 0.63417571579492 0.56262016376124 150.360 > 97 116 Sm 0.75000000000000 0.63417571579492 0.56262016376124 150.360 > 97 117 Sm 0.12500000000000 0.86582428420508 0.43737983623876 150.360 > 101 118 Sm 0.37500000000000 0.86582428420508 0.43737983623876 150.360 > 101 119 Sm 0.62500000000000 0.86582428420508 0.43737983623876 150.360 > 101 120 Sm 0.87500000000000 0.86582428420508 0.43737983623876 150.360 > 101 121 Sm 0.00000000000000 0.63417571579492 0.93737983623876 150.360 > 105 122 Sm 0.25000000000000 0.63417571579492 0.93737983623876 150.360 > 105 123 Sm 0.50000000000000 0.63417571579492 0.93737983623876 150.360 > 105 124 Sm 0.75000000000000 0.63417571579492 0.93737983623876 150.360 > 105 125 Sm 0.12500000000000 0.86582428420508 0.06262016376123 150.360 > 109 126 Sm 0.37500000000000 0.86582428420508 0.06262016376123 150.360 > 109 127 Sm 0.62500000000000 0.86582428420508 0.06262016376123 150.360 > 109 128 Sm 0.87500000000000 0.86582428420508 0.06262016376123 150.360 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.9513681 0.0000000 0.0000000 0.0000000 6.9025324 0.0000000 0.0000000 0.0000000 9.3207839-------------------------- Born effective charges -------------------------- 1 Cu 0.6631515 0.0000000 0.0000000 0.0000000 0.4226762 0.0000000 0.0000000 0.0000000 0.5480981 2 Cu 0.6631515 0.0000000 0.0000000 0.0000000 0.4226762 0.0000000 0.0000000 0.0000000 0.5480981 3 Se -1.6875422 0.0000000 0.0000000 0.0000000 -1.4088001 0.0000000 0.0000000 0.0000000 -3.8220643 4 Se -1.6875422 0.0000000 0.0000000 0.0000000 -1.4088001 0.0000000 0.0000000 0.0000000 -3.8220643 5 Se -2.7741879 0.0000000 0.0000000 0.0000000 -2.2728538 0.4544203 0.0000000 0.7543994 -2.9818296 6 Se -2.7741879 0.0000000 0.0000000 0.0000000 -2.2728538 0.4544203 0.0000000 0.7543994 -2.9818296 7 Se -4.4138914 0.0000000 0.0000000 0.0000000 -3.2516202 1.0187551 0.0000000 0.8821965 -1.5596559 8 Se -4.4138914 0.0000000 0.0000000 0.0000000 -3.2516202 -1.0187551 0.0000000 -0.8821965 -1.5596559 9 Se -2.7741879 0.0000000 0.0000000 0.0000000 -2.2728538 -0.4544203 0.0000000 -0.7543994 -2.9818296 10 Se -2.7741879 0.0000000 0.0000000 0.0000000 -2.2728538 -0.4544203 0.0000000 -0.7543994 -2.9818296 11 Rb 1.1176778 0.0000000 0.0000000 0.0000000 1.5950092 0.0000000 0.0000000 0.0000000 1.3017503 12 Rb 1.1176778 0.0000000 0.0000000 0.0000000 1.5950092 0.0000000 0.0000000 0.0000000 1.3017503 13 Sm 4.9344900 0.0000000 0.0000000 0.0000000 3.5942212 -0.0214386 0.0000000 -0.3584266 4.7477656 14 Sm 4.9344900 0.0000000 0.0000000 0.0000000 3.5942212 -0.0214386 0.0000000 -0.3584266 4.7477656 15 Sm 4.9344900 0.0000000 0.0000000 0.0000000 3.5942212 0.0214386 0.0000000 0.3584266 4.7477656 16 Sm 4.9344900 0.0000000 0.0000000 0.0000000 3.5942212 0.0214386 0.0000000 0.3584266 4.7477656----------------------------------------------------------------------------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[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (zzx) 0.00000000 (zzx) 0.00000000 (zxz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 01:48:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:48:26]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [4 1 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.068860565000000 -7.160642395000000 0.000000000000000 b 2.068860565000000 7.160642395000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.370102579999998Atomic positions (fractional): 1 Cu 0.16195657847693 0.83804342152307 0.25000000000000 63.546 2 Cu 0.83804342152307 0.16195657847693 0.75000000000000 63.546 3 Se 0.42926569494244 0.57073430505756 0.75000000000000 78.960 4 Se 0.57073430505756 0.42926569494244 0.25000000000000 78.960 5 Se 0.73760635612302 0.26239364387698 0.61243079126682 78.960 6 Se 0.26239364387698 0.73760635612302 0.38756920873318 78.960 7 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 8 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 9 Se 0.73760635612302 0.26239364387698 0.88756920873318 78.960 10 Se 0.26239364387698 0.73760635612302 0.11243079126682 78.960 11 Rb 0.89118393439349 0.10881606560651 0.25000000000000 85.468 12 Rb 0.10881606560651 0.89118393439349 0.75000000000000 85.468 13 Sm 0.36582428420508 0.63417571579492 0.56262016376124 150.360 14 Sm 0.63417571579492 0.36582428420508 0.43737983623876 150.360 15 Sm 0.36582428420508 0.63417571579492 0.93737983623876 150.360 16 Sm 0.63417571579492 0.36582428420508 0.06262016376123 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 16.550884520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.321284790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.370102579999998Atomic positions (fractional): 1 Cu 0.12500000000000 0.33804342152307 0.25000000000000 63.546 > 1 2 Cu 0.37500000000000 0.33804342152307 0.25000000000000 63.546 > 1 3 Cu 0.62500000000000 0.33804342152307 0.25000000000000 63.546 > 1 4 Cu 0.87500000000000 0.33804342152307 0.25000000000000 63.546 > 1 5 Cu 0.00000000000000 0.16195657847693 0.75000000000000 63.546 > 5 6 Cu 0.25000000000000 0.16195657847693 0.75000000000000 63.546 > 5 7 Cu 0.50000000000000 0.16195657847693 0.75000000000000 63.546 > 5 8 Cu 0.75000000000000 0.16195657847693 0.75000000000000 63.546 > 5 9 Cu 0.00000000000000 0.83804342152307 0.25000000000000 63.546 > 1 10 Cu 0.25000000000000 0.83804342152307 0.25000000000000 63.546 > 1 11 Cu 0.50000000000000 0.83804342152307 0.25000000000000 63.546 > 1 12 Cu 0.75000000000000 0.83804342152307 0.25000000000000 63.546 > 1 13 Cu 0.12500000000000 0.66195657847693 0.75000000000000 63.546 > 5 14 Cu 0.37500000000000 0.66195657847693 0.75000000000000 63.546 > 5 15 Cu 0.62500000000000 0.66195657847693 0.75000000000000 63.546 > 5 16 Cu 0.87500000000000 0.66195657847693 0.75000000000000 63.546 > 5 17 Se 0.12500000000000 0.07073430505756 0.75000000000000 78.960 > 17 18 Se 0.37500000000000 0.07073430505756 0.75000000000000 78.960 > 17 19 Se 0.62500000000000 0.07073430505756 0.75000000000000 78.960 > 17 20 Se 0.87500000000000 0.07073430505756 0.75000000000000 78.960 > 17 21 Se 0.00000000000000 0.42926569494244 0.25000000000000 78.960 > 21 22 Se 0.25000000000000 0.42926569494244 0.25000000000000 78.960 > 21 23 Se 0.50000000000000 0.42926569494244 0.25000000000000 78.960 > 21 24 Se 0.75000000000000 0.42926569494244 0.25000000000000 78.960 > 21 25 Se 0.00000000000000 0.26239364387698 0.61243079126682 78.960 > 25 26 Se 0.25000000000000 0.26239364387698 0.61243079126682 78.960 > 25 27 Se 0.50000000000000 0.26239364387698 0.61243079126682 78.960 > 25 28 Se 0.75000000000000 0.26239364387698 0.61243079126682 78.960 > 25 29 Se 0.12500000000000 0.23760635612302 0.38756920873318 78.960 > 29 30 Se 0.37500000000000 0.23760635612302 0.38756920873318 78.960 > 29 31 Se 0.62500000000000 0.23760635612302 0.38756920873318 78.960 > 29 32 Se 0.87500000000000 0.23760635612302 0.38756920873318 78.960 > 29 33 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 33 34 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 33 35 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 33 36 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 33 37 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 37 38 Se 0.25000000000000 0.00000000000000 0.50000000000000 78.960 > 37 39 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 37 40 Se 0.75000000000000 0.00000000000000 0.50000000000000 78.960 > 37 41 Se 0.00000000000000 0.26239364387698 0.88756920873318 78.960 > 41 42 Se 0.25000000000000 0.26239364387698 0.88756920873318 78.960 > 41 43 Se 0.50000000000000 0.26239364387698 0.88756920873318 78.960 > 41 44 Se 0.75000000000000 0.26239364387698 0.88756920873318 78.960 > 41 45 Se 0.12500000000000 0.23760635612302 0.11243079126682 78.960 > 45 46 Se 0.37500000000000 0.23760635612302 0.11243079126682 78.960 > 45 47 Se 0.62500000000000 0.23760635612302 0.11243079126682 78.960 > 45 48 Se 0.87500000000000 0.23760635612302 0.11243079126682 78.960 > 45 49 Se 0.00000000000000 0.57073430505756 0.75000000000000 78.960 > 17 50 Se 0.25000000000000 0.57073430505756 0.75000000000000 78.960 > 17 51 Se 0.50000000000000 0.57073430505756 0.75000000000000 78.960 > 17 52 Se 0.75000000000000 0.57073430505756 0.75000000000000 78.960 > 17 53 Se 0.12500000000000 0.92926569494244 0.25000000000000 78.960 > 21 54 Se 0.37500000000000 0.92926569494244 0.25000000000000 78.960 > 21 55 Se 0.62500000000000 0.92926569494244 0.25000000000000 78.960 > 21 56 Se 0.87500000000000 0.92926569494244 0.25000000000000 78.960 > 21 57 Se 0.12500000000000 0.76239364387698 0.61243079126682 78.960 > 25 58 Se 0.37500000000000 0.76239364387698 0.61243079126682 78.960 > 25 59 Se 0.62500000000000 0.76239364387698 0.61243079126682 78.960 > 25 60 Se 0.87500000000000 0.76239364387698 0.61243079126682 78.960 > 25 61 Se 0.00000000000000 0.73760635612302 0.38756920873318 78.960 > 29 62 Se 0.25000000000000 0.73760635612302 0.38756920873318 78.960 > 29 63 Se 0.50000000000000 0.73760635612302 0.38756920873318 78.960 > 29 64 Se 0.75000000000000 0.73760635612302 0.38756920873318 78.960 > 29 65 Se 0.12500000000000 0.50000000000000 0.00000000000000 78.960 > 33 66 Se 0.37500000000000 0.50000000000000 0.00000000000000 78.960 > 33 67 Se 0.62500000000000 0.50000000000000 0.00000000000000 78.960 > 33 68 Se 0.87500000000000 0.50000000000000 0.00000000000000 78.960 > 33 69 Se 0.12500000000000 0.50000000000000 0.50000000000000 78.960 > 37 70 Se 0.37500000000000 0.50000000000000 0.50000000000000 78.960 > 37 71 Se 0.62500000000000 0.50000000000000 0.50000000000000 78.960 > 37 72 Se 0.87500000000000 0.50000000000000 0.50000000000000 78.960 > 37 73 Se 0.12500000000000 0.76239364387698 0.88756920873318 78.960 > 41 74 Se 0.37500000000000 0.76239364387698 0.88756920873318 78.960 > 41 75 Se 0.62500000000000 0.76239364387698 0.88756920873318 78.960 > 41 76 Se 0.87500000000000 0.76239364387698 0.88756920873318 78.960 > 41 77 Se 0.00000000000000 0.73760635612302 0.11243079126682 78.960 > 45 78 Se 0.25000000000000 0.73760635612302 0.11243079126682 78.960 > 45 79 Se 0.50000000000000 0.73760635612302 0.11243079126682 78.960 > 45 80 Se 0.75000000000000 0.73760635612302 0.11243079126682 78.960 > 45 81 Rb 0.00000000000000 0.10881606560651 0.25000000000000 85.468 > 81 82 Rb 0.25000000000000 0.10881606560651 0.25000000000000 85.468 > 81 83 Rb 0.50000000000000 0.10881606560651 0.25000000000000 85.468 > 81 84 Rb 0.75000000000000 0.10881606560651 0.25000000000000 85.468 > 81 85 Rb 0.12500000000000 0.39118393439349 0.75000000000000 85.468 > 85 86 Rb 0.37500000000000 0.39118393439349 0.75000000000000 85.468 > 85 87 Rb 0.62500000000000 0.39118393439349 0.75000000000000 85.468 > 85 88 Rb 0.87500000000000 0.39118393439349 0.75000000000000 85.468 > 85 89 Rb 0.12500000000000 0.60881606560651 0.25000000000000 85.468 > 81 90 Rb 0.37500000000000 0.60881606560651 0.25000000000000 85.468 > 81 91 Rb 0.62500000000000 0.60881606560651 0.25000000000000 85.468 > 81 92 Rb 0.87500000000000 0.60881606560651 0.25000000000000 85.468 > 81 93 Rb 0.00000000000000 0.89118393439349 0.75000000000000 85.468 > 85 94 Rb 0.25000000000000 0.89118393439349 0.75000000000000 85.468 > 85 95 Rb 0.50000000000000 0.89118393439349 0.75000000000000 85.468 > 85 96 Rb 0.75000000000000 0.89118393439349 0.75000000000000 85.468 > 85 97 Sm 0.12500000000000 0.13417571579492 0.56262016376124 150.360 > 97 98 Sm 0.37500000000000 0.13417571579492 0.56262016376124 150.360 > 97 99 Sm 0.62500000000000 0.13417571579492 0.56262016376124 150.360 > 97 100 Sm 0.87500000000000 0.13417571579492 0.56262016376124 150.360 > 97 101 Sm 0.00000000000000 0.36582428420508 0.43737983623876 150.360 > 101 102 Sm 0.25000000000000 0.36582428420508 0.43737983623876 150.360 > 101 103 Sm 0.50000000000000 0.36582428420508 0.43737983623876 150.360 > 101 104 Sm 0.75000000000000 0.36582428420508 0.43737983623876 150.360 > 101 105 Sm 0.12500000000000 0.13417571579492 0.93737983623876 150.360 > 105 106 Sm 0.37500000000000 0.13417571579492 0.93737983623876 150.360 > 105 107 Sm 0.62500000000000 0.13417571579492 0.93737983623876 150.360 > 105 108 Sm 0.87500000000000 0.13417571579492 0.93737983623876 150.360 > 105 109 Sm 0.00000000000000 0.36582428420508 0.06262016376123 150.360 > 109 110 Sm 0.25000000000000 0.36582428420508 0.06262016376123 150.360 > 109 111 Sm 0.50000000000000 0.36582428420508 0.06262016376123 150.360 > 109 112 Sm 0.75000000000000 0.36582428420508 0.06262016376123 150.360 > 109 113 Sm 0.00000000000000 0.63417571579492 0.56262016376124 150.360 > 97 114 Sm 0.25000000000000 0.63417571579492 0.56262016376124 150.360 > 97 115 Sm 0.50000000000000 0.63417571579492 0.56262016376124 150.360 > 97 116 Sm 0.75000000000000 0.63417571579492 0.56262016376124 150.360 > 97 117 Sm 0.12500000000000 0.86582428420508 0.43737983623876 150.360 > 101 118 Sm 0.37500000000000 0.86582428420508 0.43737983623876 150.360 > 101 119 Sm 0.62500000000000 0.86582428420508 0.43737983623876 150.360 > 101 120 Sm 0.87500000000000 0.86582428420508 0.43737983623876 150.360 > 101 121 Sm 0.00000000000000 0.63417571579492 0.93737983623876 150.360 > 105 122 Sm 0.25000000000000 0.63417571579492 0.93737983623876 150.360 > 105 123 Sm 0.50000000000000 0.63417571579492 0.93737983623876 150.360 > 105 124 Sm 0.75000000000000 0.63417571579492 0.93737983623876 150.360 > 105 125 Sm 0.12500000000000 0.86582428420508 0.06262016376123 150.360 > 109 126 Sm 0.37500000000000 0.86582428420508 0.06262016376123 150.360 > 109 127 Sm 0.62500000000000 0.86582428420508 0.06262016376123 150.360 > 109 128 Sm 0.87500000000000 0.86582428420508 0.06262016376123 150.360 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 8.9513681 0.0000000 0.0000000 0.0000000 6.9025324 0.0000000 0.0000000 0.0000000 9.3207839-------------------------- Born effective charges -------------------------- 1 Cu 0.6631515 0.0000000 0.0000000 0.0000000 0.4226762 0.0000000 0.0000000 0.0000000 0.5480981 2 Cu 0.6631515 0.0000000 0.0000000 0.0000000 0.4226762 0.0000000 0.0000000 0.0000000 0.5480981 3 Se -1.6875422 0.0000000 0.0000000 0.0000000 -1.4088001 0.0000000 0.0000000 0.0000000 -3.8220643 4 Se -1.6875422 0.0000000 0.0000000 0.0000000 -1.4088001 0.0000000 0.0000000 0.0000000 -3.8220643 5 Se -2.7741879 0.0000000 0.0000000 0.0000000 -2.2728538 0.4544203 0.0000000 0.7543994 -2.9818296 6 Se -2.7741879 0.0000000 0.0000000 0.0000000 -2.2728538 0.4544203 0.0000000 0.7543994 -2.9818296 7 Se -4.4138914 0.0000000 0.0000000 0.0000000 -3.2516202 1.0187551 0.0000000 0.8821965 -1.5596559 8 Se -4.4138914 0.0000000 0.0000000 0.0000000 -3.2516202 -1.0187551 0.0000000 -0.8821965 -1.5596559 9 Se -2.7741879 0.0000000 0.0000000 0.0000000 -2.2728538 -0.4544203 0.0000000 -0.7543994 -2.9818296 10 Se -2.7741879 0.0000000 0.0000000 0.0000000 -2.2728538 -0.4544203 0.0000000 -0.7543994 -2.9818296 11 Rb 1.1176778 0.0000000 0.0000000 0.0000000 1.5950092 0.0000000 0.0000000 0.0000000 1.3017503 12 Rb 1.1176778 0.0000000 0.0000000 0.0000000 1.5950092 0.0000000 0.0000000 0.0000000 1.3017503 13 Sm 4.9344900 0.0000000 0.0000000 0.0000000 3.5942212 -0.0214386 0.0000000 -0.3584266 4.7477656 14 Sm 4.9344900 0.0000000 0.0000000 0.0000000 3.5942212 -0.0214386 0.0000000 -0.3584266 4.7477656 15 Sm 4.9344900 0.0000000 0.0000000 0.0000000 3.5942212 0.0214386 0.0000000 0.3584266 4.7477656 16 Sm 4.9344900 0.0000000 0.0000000 0.0000000 3.5942212 0.0214386 0.0000000 0.3584266 4.7477656----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zzx) 0.00000000 (zzx) 0.00000000 (zxz)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 13 13 3 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 303, Lambda: 0.17Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/98) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.782 ( 0.000 0.000 0.000) 0.000 1.087 ( 0.000 0.000 0.000) 0.000 1.369 ( 0.000 0.000 0.000) 0.000 1.650 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.882 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/98) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( 18.629 -4.488 0.000) 19.162 0.466 ( 24.705 0.171 0.000) 24.706 0.800 ( 38.119 -11.680 0.000) 39.869 0.899 ( 10.401 -3.637 0.000) 11.019 1.221 ( 11.116 -1.306 0.000) 11.193 1.470 ( 9.087 -0.785 0.000) 9.121 1.669 ( 2.223 2.809 0.000) 3.582 1.810 ( 0.417 1.148 0.000) 1.222 1.817 ( -0.588 0.636 0.000) 0.867 1.845 ( 1.499 3.111 0.000) 3.453 1.860 ( 0.102 0.303 0.000) 0.320 1.921 ( 10.406 0.219 0.000) 10.409 2.023 ( 1.880 5.559 0.000) 5.868 2.170 ( 5.606 -3.495 0.000) 6.606 2.206 ( 2.883 -1.995 0.000) 3.506 2.289 ( 3.320 -1.928 0.000) 3.839 2.539 ( -4.571 1.107 0.000) 4.703 2.662 ( 4.721 0.408 0.000) 4.739 2.841 ( -0.229 0.215 0.000) 0.314 2.841 ( 1.221 3.786 0.000) 3.978 2.849 ( -1.008 -0.188 0.000) 1.025 3.009 ( 0.427 0.255 0.000) 0.498 3.058 ( -4.408 1.188 0.000) 4.565 3.122 ( 2.072 -3.375 0.000) 3.960 3.385 ( -1.240 -1.514 0.000) 1.957 3.422 ( -4.267 1.019 0.000) 4.387 3.777 ( 17.114 0.067 0.000) 17.114 4.054 ( 2.492 1.259 0.000) 2.792 4.167 ( 3.726 0.584 0.000) 3.772 4.250 ( 0.801 -0.963 0.000) 1.253 4.317 ( -0.022 0.731 0.000) 0.732 4.445 ( 1.558 -1.206 0.000) 1.970 4.603 ( -1.676 -0.763 0.000) 1.842 4.604 ( 3.830 12.066 0.000) 12.659 4.852 ( 0.961 3.139 0.000) 3.283 4.955 ( 0.440 0.211 0.000) 0.488 5.001 ( -4.779 -1.065 0.000) 4.896 5.044 ( -5.175 0.770 0.000) 5.232 5.074 ( -2.801 3.175 0.000) 4.234 5.239 ( 0.181 -6.266 0.000) 6.268 5.333 ( -1.441 -0.785 0.000) 1.641 5.410 ( 3.551 -0.529 0.000) 3.590 5.621 ( -0.727 0.109 0.000) 0.736 5.628 ( -0.618 0.066 0.000) 0.622 5.837 ( -0.101 5.927 0.000) 5.928 5.866 ( -0.640 2.714 0.000) 2.788 5.924 ( -0.997 -3.298 0.000) 3.446 6.105 ( -5.912 -5.088 0.000) 7.800======================= Grid point 2 (3/98) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.734 ( 16.994 -3.296 0.000) 17.311 0.908 ( 23.269 2.012 0.000) 23.356 1.159 ( 14.334 -3.440 0.000) 14.741 1.412 ( 7.886 -0.718 0.000) 7.919 1.512 ( 31.051 -9.196 0.000) 32.384 1.631 ( 6.199 -2.406 0.000) 6.649 1.755 ( 7.940 3.717 0.000) 8.767 1.756 ( -2.002 2.670 0.000) 3.337 1.819 ( -0.197 -0.041 0.000) 0.201 1.847 ( 0.329 -0.961 0.000) 1.016 1.947 ( 7.336 0.412 0.000) 7.348 2.022 ( -0.299 2.734 0.000) 2.751 2.138 ( 11.965 4.121 0.000) 12.655 2.290 ( 5.288 0.112 0.000) 5.289 2.331 ( 10.463 3.055 0.000) 10.900 2.410 ( 8.092 -4.132 0.000) 9.086 2.466 ( -0.355 0.683 0.000) 0.770 2.770 ( 6.009 0.621 0.000) 6.041 2.834 ( -0.095 -1.406 0.000) 1.409 2.835 ( -0.604 0.536 0.000) 0.808 2.868 ( 2.330 -0.762 0.000) 2.451 2.939 ( -4.947 2.790 0.000) 5.680 3.030 ( 0.542 -0.757 0.000) 0.931 3.158 ( 0.286 0.680 0.000) 0.738 3.299 ( -5.786 1.702 0.000) 6.031 3.389 ( -0.930 -2.711 0.000) 2.866 4.041 ( 8.094 0.370 0.000) 8.103 4.103 ( 3.108 0.697 0.000) 3.185 4.245 ( 0.767 -0.134 0.000) 0.778 4.314 ( -0.277 -0.328 0.000) 0.429 4.346 ( 12.991 -1.959 0.000) 13.137 4.498 ( 3.413 -0.328 0.000) 3.429 4.564 ( -2.665 -1.183 0.000) 2.916 4.605 ( 0.085 1.520 0.000) 1.522 4.857 ( 1.034 1.586 0.000) 1.894 4.905 ( -7.438 2.063 0.000) 7.719 4.917 ( -3.856 1.519 0.000) 4.144 4.975 ( 0.938 -0.465 0.000) 1.047 5.007 ( -2.371 1.966 0.000) 3.080 5.173 ( -7.743 -3.061 0.000) 8.326 5.379 ( 3.597 -0.350 0.000) 3.614 5.478 ( 3.198 -0.252 0.000) 3.207 5.605 ( -1.983 0.091 0.000) 1.985 5.606 ( -0.691 0.223 0.000) 0.726 5.778 ( -1.848 9.251 0.000) 9.434 5.839 ( -0.297 3.749 0.000) 3.761 5.922 ( -1.104 -3.769 0.000) 3.928 6.011 ( -6.359 -4.543 0.000) 7.815======================= Grid point 3 (4/98) =======================q-point: ( 0.23 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 14.843 -2.132 0.000) 14.996 1.299 ( 20.194 4.164 0.000) 20.619 1.427 ( 12.085 -0.491 0.000) 12.095 1.546 ( 7.066 -1.568 0.000) 7.238 1.721 ( 1.045 -1.692 0.000) 1.989 1.725 ( 0.288 1.850 0.000) 1.872 1.801 ( 3.683 -0.856 0.000) 3.781 1.836 ( -1.861 -1.643 0.000) 2.483 1.923 ( 8.547 4.762 0.000) 9.784 1.951 ( 9.886 4.142 0.000) 10.719 1.980 ( -2.716 1.272 0.000) 2.999 2.161 ( 15.959 -7.684 0.000) 17.712 2.268 ( 2.277 -4.061 0.000) 4.656 2.348 ( 2.991 7.856 0.000) 8.406 2.471 ( 4.675 2.872 0.000) 5.487 2.585 ( 12.961 0.352 0.000) 12.966 2.595 ( 5.507 -2.157 0.000) 5.914 2.809 ( 2.236 1.365 0.000) 2.620 2.817 ( 2.075 -0.015 0.000) 2.075 2.900 ( 2.273 -1.024 0.000) 2.493 2.903 ( 2.213 1.007 0.000) 2.431 2.941 ( 4.507 -4.153 0.000) 6.129 3.040 ( 0.161 0.016 0.000) 0.161 3.105 ( -3.603 2.470 0.000) 4.369 3.223 ( -2.432 -1.834 0.000) 3.046 3.395 ( 0.629 -1.344 0.000) 1.484 4.130 ( 3.521 -0.101 0.000) 3.523 4.160 ( 3.387 0.540 0.000) 3.430 4.235 ( -2.018 -2.040 0.000) 2.870 4.303 ( -1.582 -1.129 0.000) 1.943 4.492 ( -3.716 -1.045 0.000) 3.860 4.554 ( 5.294 2.155 0.000) 5.716 4.587 ( -2.184 -2.200 0.000) 3.100 4.619 ( 5.989 -1.694 0.000) 6.224 4.779 ( -2.192 1.183 0.000) 2.491 4.845 ( -2.289 2.312 0.000) 3.254 4.877 ( 0.936 0.375 0.000) 1.009 4.975 ( -0.050 1.469 0.000) 1.470 5.009 ( 2.397 -0.211 0.000) 2.406 5.048 ( -5.626 -1.380 0.000) 5.793 5.419 ( 0.479 0.670 0.000) 0.823 5.521 ( 1.194 0.011 0.000) 1.194 5.554 ( -3.384 0.088 0.000) 3.385 5.589 ( -1.139 1.747 0.000) 2.086 5.687 ( -1.762 8.641 0.000) 8.819 5.811 ( -0.669 3.642 0.000) 3.703 5.922 ( -0.814 -1.915 0.000) 2.081 5.923 ( -5.546 -3.432 0.000) 6.522======================= Grid point 4 (5/98) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( 12.372 -1.112 0.000) 12.422 1.583 ( 5.530 1.642 0.000) 5.768 1.589 ( 11.459 4.112 0.000) 12.174 1.667 ( 2.868 -1.104 0.000) 3.073 1.722 ( 2.087 1.557 0.000) 2.604 1.759 ( 2.230 0.841 0.000) 2.384 1.828 ( 2.007 -2.666 0.000) 3.337 1.906 ( 5.001 -2.790 0.000) 5.727 1.931 ( -0.840 0.036 0.000) 0.841 1.964 ( 3.068 6.914 0.000) 7.565 2.126 ( 10.609 5.794 0.000) 12.089 2.255 ( -2.024 10.740 0.000) 10.929 2.325 ( -0.942 -5.491 0.000) 5.571 2.431 ( -4.816 5.940 0.000) 7.647 2.438 ( 7.085 -3.852 0.000) 8.065 2.644 ( 1.096 -2.542 0.000) 2.768 2.807 ( -0.793 -4.654 0.000) 4.721 2.881 ( 2.422 -0.476 0.000) 2.469 2.902 ( 6.177 -0.872 0.000) 6.238 2.940 ( 9.410 -0.785 0.000) 9.443 3.018 ( 2.417 -0.951 0.000) 2.597 3.019 ( 8.567 -0.817 0.000) 8.606 3.033 ( -0.412 0.694 0.000) 0.807 3.079 ( -0.549 -3.046 0.000) 3.095 3.213 ( 0.720 -3.653 0.000) 3.724 3.433 ( 2.856 -0.713 0.000) 2.943 4.193 ( 0.252 -0.813 0.000) 0.851 4.215 ( 2.180 -1.418 0.000) 2.601 4.224 ( 3.655 0.265 0.000) 3.665 4.269 ( -2.222 -0.772 0.000) 2.353 4.417 ( -3.857 0.737 0.000) 3.926 4.557 ( -1.667 -1.478 0.000) 2.228 4.603 ( 1.804 2.381 0.000) 2.987 4.626 ( -1.005 1.378 0.000) 1.706 4.790 ( -2.828 0.540 0.000) 2.879 4.846 ( 3.887 -2.665 0.000) 4.713 4.876 ( -0.549 1.058 0.000) 1.192 4.987 ( 2.040 0.702 0.000) 2.158 5.021 ( 1.917 0.136 0.000) 1.921 5.065 ( 3.353 -0.416 0.000) 3.379 5.398 ( -1.730 1.609 0.000) 2.362 5.481 ( -4.316 0.220 0.000) 4.321 5.510 ( -2.476 2.535 0.000) 3.543 5.536 ( -1.734 2.822 0.000) 3.312 5.642 ( -0.474 2.854 0.000) 2.893 5.776 ( -1.113 2.908 0.000) 3.113 5.833 ( -5.788 -1.817 0.000) 6.067 5.900 ( -2.256 0.157 0.000) 2.261======================= Grid point 5 (6/98) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( 9.189 -0.474 0.000) 9.201 1.625 ( 0.647 2.116 0.000) 2.213 1.642 ( -0.535 -0.286 0.000) 0.606 1.697 ( 1.070 0.527 0.000) 1.193 1.754 ( -1.046 -1.583 0.000) 1.898 1.805 ( 4.276 6.399 0.000) 7.696 1.866 ( -0.796 -2.348 0.000) 2.479 1.995 ( 3.896 3.330 0.000) 5.125 2.010 ( 5.128 2.311 0.000) 5.625 2.011 ( 7.226 -0.359 0.000) 7.235 2.165 ( 0.389 5.546 0.000) 5.560 2.270 ( 6.943 5.450 0.000) 8.826 2.308 ( -3.317 -3.239 0.000) 4.636 2.309 ( -4.036 5.367 0.000) 6.715 2.565 ( 6.054 -1.831 0.000) 6.325 2.660 ( -0.501 -1.254 0.000) 1.350 2.733 ( -4.129 -1.232 0.000) 4.309 2.918 ( 1.619 -0.457 0.000) 1.682 2.959 ( -3.776 -6.827 0.000) 7.802 3.008 ( -1.304 0.717 0.000) 1.488 3.016 ( -3.030 2.902 0.000) 4.196 3.077 ( 2.316 -0.058 0.000) 2.316 3.123 ( 4.276 -6.742 0.000) 7.984 3.156 ( 4.065 -2.614 0.000) 4.833 3.321 ( 5.287 -2.004 0.000) 5.654 3.521 ( 6.864 -1.844 0.000) 7.107 4.177 ( -0.712 -0.566 0.000) 0.910 4.236 ( -1.006 -0.403 0.000) 1.084 4.288 ( 2.440 0.306 0.000) 2.459 4.295 ( 2.951 -0.345 0.000) 2.971 4.375 ( 1.184 0.744 0.000) 1.398 4.558 ( 1.140 -0.956 0.000) 1.487 4.599 ( -0.663 4.719 0.000) 4.765 4.629 ( 2.383 -0.061 0.000) 2.384 4.752 ( -0.064 0.846 0.000) 0.849 4.864 ( 0.008 1.309 0.000) 1.309 4.888 ( -1.217 -3.498 0.000) 3.704 5.021 ( 0.983 0.056 0.000) 0.984 5.086 ( 4.867 0.614 0.000) 4.905 5.134 ( 3.727 -0.489 0.000) 3.759 5.347 ( -2.642 1.482 0.000) 3.030 5.391 ( -5.083 0.343 0.000) 5.095 5.437 ( -2.723 3.363 0.000) 4.327 5.486 ( -3.097 0.688 0.000) 3.173 5.618 ( -0.911 1.079 0.000) 1.412 5.730 ( -5.711 -0.835 0.000) 5.772 5.742 ( -0.962 1.983 0.000) 2.204 5.841 ( -3.340 0.876 0.000) 3.453======================= Grid point 6 (7/98) =======================q-point: ( 0.46 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( -0.261 0.362 0.000) 0.446 1.633 ( -0.447 -0.339 0.000) 0.561 1.652 ( 2.222 0.689 0.000) 2.326 1.733 ( 4.172 0.099 0.000) 4.173 1.755 ( 0.503 -0.255 0.000) 0.564 1.795 ( -0.253 4.037 0.000) 4.045 1.829 ( -4.449 -1.670 0.000) 4.752 2.042 ( 2.500 1.964 0.000) 3.179 2.080 ( 2.350 0.020 0.000) 2.350 2.130 ( 4.493 -0.782 0.000) 4.560 2.189 ( 2.056 -0.540 0.000) 2.126 2.232 ( -2.048 2.792 0.000) 3.463 2.241 ( -3.409 0.284 0.000) 3.421 2.352 ( 3.168 2.717 0.000) 4.174 2.650 ( -0.617 -0.348 0.000) 0.709 2.658 ( 1.865 -2.117 0.000) 2.822 2.733 ( 4.742 3.880 0.000) 6.127 2.882 ( -7.278 -8.792 0.000) 11.414 2.922 ( -3.677 3.044 0.000) 4.773 2.949 ( 1.433 -0.486 0.000) 1.513 2.979 ( -1.369 0.569 0.000) 1.483 3.097 ( 0.606 0.532 0.000) 0.806 3.203 ( 0.453 -1.212 0.000) 1.294 3.232 ( 2.726 -4.505 0.000) 5.265 3.352 ( -0.028 2.422 0.000) 2.422 3.659 ( 4.272 -1.890 0.000) 4.671 4.174 ( -0.067 -0.254 0.000) 0.263 4.228 ( -0.140 -0.086 0.000) 0.164 4.312 ( 0.304 0.606 0.000) 0.678 4.312 ( 0.589 0.279 0.000) 0.652 4.437 ( 2.778 -1.441 0.000) 3.130 4.556 ( -1.029 3.295 0.000) 3.452 4.579 ( 0.218 -0.332 0.000) 0.398 4.698 ( 4.652 0.844 0.000) 4.728 4.802 ( 4.539 0.049 0.000) 4.539 4.846 ( -4.336 -2.547 0.000) 5.029 4.863 ( 0.362 0.111 0.000) 0.379 5.001 ( -2.733 0.738 0.000) 2.831 5.182 ( 5.284 0.368 0.000) 5.296 5.209 ( 4.141 -0.219 0.000) 4.147 5.282 ( -4.028 0.073 0.000) 4.028 5.295 ( -4.937 0.224 0.000) 4.942 5.393 ( 0.081 1.848 0.000) 1.850 5.423 ( -3.025 -0.017 0.000) 3.025 5.604 ( -0.016 0.398 0.000) 0.398 5.647 ( -3.006 -0.342 0.000) 3.026 5.722 ( -0.363 0.724 0.000) 0.810 5.786 ( -1.645 0.462 0.000) 1.708======================= Grid point 14 (8/98) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( 17.810 0.000 0.000) 17.810 0.923 ( 23.767 0.000 0.000) 23.767 1.139 ( 15.269 0.000 0.000) 15.269 1.407 ( 8.170 0.000 0.000) 8.170 1.457 ( 33.671 0.000 0.000) 33.671 1.617 ( 5.744 0.000 0.000) 5.744 1.772 ( -2.417 -0.000 0.000) 2.417 1.779 ( 8.345 0.000 0.000) 8.345 1.816 ( -1.430 -0.000 0.000) 1.430 1.840 ( 0.077 0.000 0.000) 0.077 1.949 ( 7.961 0.000 0.000) 7.961 2.038 ( -1.408 -0.000 0.000) 1.408 2.166 ( 10.365 0.000 0.000) 10.365 2.285 ( 7.276 0.000 0.000) 7.276 2.358 ( 12.993 0.000 0.000) 12.993 2.376 ( 6.433 0.000 0.000) 6.433 2.471 ( -0.656 -0.000 0.000) 0.656 2.774 ( 6.789 0.000 0.000) 6.789 2.822 ( -1.220 -0.000 0.000) 1.220 2.838 ( -0.408 -0.000 0.000) 0.408 2.867 ( 0.908 0.000 0.000) 0.908 2.955 ( -5.650 -0.000 0.000) 5.650 3.025 ( 0.936 0.000 0.000) 0.936 3.163 ( 1.820 0.000 0.000) 1.820 3.309 ( -7.342 -0.000 0.000) 7.342 3.373 ( 0.020 0.000 0.000) 0.020 4.043 ( 8.010 0.000 0.000) 8.010 4.107 ( 2.961 0.000 0.000) 2.961 4.244 ( -0.983 -0.000 0.000) 0.983 4.312 ( -0.715 -0.000 0.000) 0.715 4.336 ( 14.720 0.000 0.000) 14.720 4.496 ( 3.527 0.000 0.000) 3.527 4.558 ( -2.425 -0.000 0.000) 2.425 4.613 ( -2.006 -0.000 0.000) 2.006 4.868 ( 0.512 0.000 0.000) 0.512 4.917 ( -7.992 -0.000 0.000) 7.992 4.923 ( -3.354 -0.000 0.000) 3.354 4.972 ( 1.375 0.000 0.000) 1.375 5.023 ( -2.827 -0.000 0.000) 2.827 5.152 ( -7.099 -0.000 0.000) 7.099 5.377 ( 3.966 0.000 0.000) 3.966 5.477 ( 3.341 0.000 0.000) 3.341 5.605 ( -2.000 -0.000 0.000) 2.000 5.607 ( -0.682 -0.000 0.000) 0.682 5.841 ( -1.138 -0.000 0.000) 1.138 5.875 ( 0.776 0.000 0.000) 0.776 5.886 ( -1.780 -0.000 0.000) 1.780 5.974 ( -6.800 -0.000 0.000) 6.800======================= Grid point 15 (9/98) =======================q-point: ( 0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.030 ( 15.543 -0.749 0.000) 15.561 1.335 ( 20.576 1.986 0.000) 20.672 1.424 ( 13.999 -0.178 0.000) 14.000 1.534 ( 6.114 -0.580 0.000) 6.142 1.701 ( 2.788 -1.237 0.000) 3.050 1.739 ( -0.331 0.719 0.000) 0.791 1.802 ( 1.247 0.336 0.000) 1.291 1.820 ( -2.065 -0.894 0.000) 2.250 1.958 ( 11.731 1.557 0.000) 11.834 1.983 ( 17.098 1.400 0.000) 17.155 1.991 ( -3.155 0.601 0.000) 3.212 2.106 ( 9.323 -2.242 0.000) 9.589 2.228 ( 0.386 -2.395 0.000) 2.426 2.409 ( 5.508 2.933 0.000) 6.240 2.496 ( 6.036 1.463 0.000) 6.211 2.575 ( 5.097 -1.257 0.000) 5.250 2.592 ( 10.791 0.618 0.000) 10.808 2.820 ( 1.275 0.536 0.000) 1.383 2.822 ( 2.369 0.546 0.000) 2.431 2.887 ( 0.690 -1.089 0.000) 1.289 2.912 ( 7.398 -1.225 0.000) 7.499 2.912 ( 1.912 0.562 0.000) 1.993 3.040 ( 0.487 -0.031 0.000) 0.488 3.112 ( -7.609 -0.438 0.000) 7.622 3.217 ( -1.558 0.217 0.000) 1.574 3.385 ( 1.136 -0.504 0.000) 1.243 4.130 ( 3.254 0.006 0.000) 3.254 4.164 ( 3.287 0.243 0.000) 3.296 4.218 ( -1.809 -0.851 0.000) 1.999 4.293 ( -1.559 -0.601 0.000) 1.670 4.484 ( -3.418 -0.423 0.000) 3.444 4.571 ( -2.303 -0.717 0.000) 2.412 4.577 ( 6.814 1.931 0.000) 7.082 4.600 ( 5.749 -1.794 0.000) 6.023 4.789 ( -3.518 0.486 0.000) 3.552 4.863 ( -3.094 0.951 0.000) 3.236 4.880 ( 0.566 0.076 0.000) 0.571 4.991 ( -0.091 1.166 0.000) 1.170 5.008 ( 2.407 -0.090 0.000) 2.409 5.032 ( -4.906 -1.278 0.000) 5.070 5.423 ( 0.678 0.176 0.000) 0.700 5.521 ( 1.257 -0.005 0.000) 1.257 5.554 ( -3.375 0.031 0.000) 3.375 5.597 ( -0.540 0.216 0.000) 0.581 5.782 ( -2.820 7.880 0.000) 8.370 5.843 ( -1.681 2.071 0.000) 2.668 5.874 ( -5.399 -5.417 0.000) 7.648 5.902 ( 0.758 -1.436 0.000) 1.624======================= Grid point 16 (10/98) =======================q-point: ( 0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( 12.853 -0.602 0.000) 12.867 1.601 ( 5.454 1.702 0.000) 5.713 1.622 ( 7.788 1.922 0.000) 8.022 1.651 ( 4.198 -1.601 0.000) 4.493 1.740 ( 5.816 1.514 0.000) 6.010 1.769 ( 0.432 0.872 0.000) 0.973 1.801 ( 3.108 -2.031 0.000) 3.712 1.885 ( 5.996 -1.156 0.000) 6.106 1.934 ( -1.507 0.228 0.000) 1.524 2.028 ( 0.784 4.601 0.000) 4.668 2.180 ( 10.618 4.230 0.000) 11.430 2.258 ( 3.261 -4.057 0.000) 5.205 2.350 ( 3.151 0.649 0.000) 3.217 2.429 ( 2.623 5.252 0.000) 5.871 2.489 ( -5.090 4.710 0.000) 6.934 2.615 ( 1.969 -2.819 0.000) 3.439 2.750 ( 0.444 -5.477 0.000) 5.495 2.877 ( 2.369 -0.248 0.000) 2.382 2.884 ( 0.985 -1.560 0.000) 1.845 2.944 ( 9.800 0.551 0.000) 9.815 3.000 ( -0.535 -2.449 0.000) 2.507 3.013 ( 7.297 -0.264 0.000) 7.302 3.039 ( -0.441 0.396 0.000) 0.592 3.050 ( 3.197 -1.426 0.000) 3.501 3.192 ( -0.468 -0.589 0.000) 0.752 3.425 ( 3.040 -0.618 0.000) 3.103 4.188 ( -0.430 -0.294 0.000) 0.521 4.202 ( 3.322 -0.919 0.000) 3.447 4.228 ( 3.581 0.292 0.000) 3.593 4.260 ( -1.991 -0.680 0.000) 2.104 4.423 ( -2.941 0.370 0.000) 2.964 4.545 ( -0.832 -0.720 0.000) 1.100 4.611 ( -0.859 0.028 0.000) 0.860 4.651 ( 2.112 2.248 0.000) 3.085 4.794 ( -3.382 0.242 0.000) 3.390 4.822 ( 2.924 -1.816 0.000) 3.442 4.883 ( -0.188 0.305 0.000) 0.359 4.994 ( 1.219 0.450 0.000) 1.299 5.022 ( 2.596 0.074 0.000) 2.597 5.062 ( 3.279 -0.223 0.000) 3.287 5.408 ( -1.806 0.484 0.000) 1.870 5.483 ( -4.261 0.109 0.000) 4.263 5.521 ( -1.207 0.363 0.000) 1.260 5.565 ( -2.646 1.718 0.000) 3.155 5.690 ( -2.337 5.781 0.000) 6.235 5.800 ( -1.846 1.597 0.000) 2.441 5.804 ( -5.303 -3.714 0.000) 6.474 5.902 ( -1.473 0.147 0.000) 1.480======================= Grid point 17 (11/98) =======================q-point: ( 0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( 9.227 -0.462 0.000) 9.238 1.639 ( -0.963 -0.242 0.000) 0.992 1.644 ( 0.863 1.301 0.000) 1.561 1.702 ( 1.237 0.391 0.000) 1.297 1.746 ( -0.650 0.117 0.000) 0.660 1.839 ( -1.272 -2.460 0.000) 2.769 1.870 ( 5.418 5.429 0.000) 7.670 1.996 ( 5.232 -0.232 0.000) 5.237 2.008 ( 7.254 -0.215 0.000) 7.258 2.047 ( 2.762 1.173 0.000) 3.001 2.243 ( -4.925 9.080 0.000) 10.330 2.295 ( -0.352 0.674 0.000) 0.760 2.322 ( 6.577 3.944 0.000) 7.669 2.361 ( -5.176 4.169 0.000) 6.646 2.537 ( 5.651 -3.368 0.000) 6.578 2.646 ( 0.106 -1.331 0.000) 1.335 2.704 ( -2.983 -4.417 0.000) 5.330 2.870 ( -6.192 -7.967 0.000) 10.090 2.914 ( 1.613 -0.394 0.000) 1.660 3.016 ( -1.329 0.715 0.000) 1.509 3.044 ( -2.308 0.652 0.000) 2.399 3.074 ( 5.103 -0.882 0.000) 5.179 3.094 ( 3.482 2.088 0.000) 4.060 3.131 ( 4.032 -2.081 0.000) 4.537 3.293 ( 8.621 -3.164 0.000) 9.183 3.504 ( 5.076 -1.310 0.000) 5.242 4.174 ( -0.343 -0.101 0.000) 0.358 4.233 ( -0.751 -0.215 0.000) 0.781 4.289 ( 3.972 -0.603 0.000) 4.017 4.290 ( 2.619 0.197 0.000) 2.626 4.384 ( -0.247 0.829 0.000) 0.865 4.549 ( 0.930 -0.579 0.000) 1.096 4.621 ( 1.933 -0.115 0.000) 1.936 4.654 ( 0.381 4.279 0.000) 4.296 4.758 ( 0.109 0.361 0.000) 0.377 4.850 ( -1.537 -3.593 0.000) 3.907 4.873 ( -0.592 0.429 0.000) 0.731 5.024 ( 1.416 0.361 0.000) 1.461 5.092 ( 4.809 0.498 0.000) 4.835 5.130 ( 3.838 -0.318 0.000) 3.852 5.357 ( -3.321 0.492 0.000) 3.357 5.395 ( -5.097 0.218 0.000) 5.102 5.471 ( -3.111 2.451 0.000) 3.961 5.495 ( -3.590 1.033 0.000) 3.735 5.635 ( -1.601 1.999 0.000) 2.561 5.716 ( -5.356 -1.809 0.000) 5.653 5.760 ( -1.677 1.195 0.000) 2.059 5.851 ( -3.271 0.825 0.000) 3.374======================= Grid point 18 (12/98) =======================q-point: ( 0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( -0.110 0.038 0.000) 0.116 1.629 ( -0.158 -0.303 0.000) 0.342 1.665 ( 1.573 1.740 0.000) 2.345 1.731 ( 3.408 -0.279 0.000) 3.419 1.755 ( 1.831 0.078 0.000) 1.833 1.809 ( -3.639 -1.993 0.000) 4.149 1.857 ( -2.267 7.248 0.000) 7.595 2.056 ( -0.097 0.587 0.000) 0.595 2.081 ( 2.056 0.069 0.000) 2.057 2.121 ( 4.132 -0.748 0.000) 4.199 2.182 ( 1.241 -0.184 0.000) 1.254 2.249 ( -3.065 0.864 0.000) 3.185 2.261 ( -3.891 2.441 0.000) 4.593 2.378 ( -0.098 1.481 0.000) 1.484 2.626 ( 3.198 -4.243 0.000) 5.313 2.645 ( -0.293 -0.587 0.000) 0.656 2.740 ( -1.280 -2.772 0.000) 3.053 2.797 ( -0.548 -4.563 0.000) 4.596 2.944 ( 1.453 -0.425 0.000) 1.513 2.969 ( -1.755 4.712 0.000) 5.029 2.986 ( -1.460 0.606 0.000) 1.581 3.109 ( 0.191 1.358 0.000) 1.372 3.185 ( 4.229 -3.655 0.000) 5.589 3.190 ( 1.745 -1.143 0.000) 2.086 3.390 ( 1.943 4.107 0.000) 4.544 3.628 ( 5.063 -3.700 0.000) 6.271 4.175 ( 0.442 0.435 0.000) 0.620 4.229 ( 0.163 0.257 0.000) 0.305 4.315 ( 0.358 0.308 0.000) 0.472 4.319 ( 0.002 0.765 0.000) 0.765 4.417 ( 2.064 -2.212 0.000) 3.025 4.571 ( 0.403 -1.040 0.000) 1.116 4.596 ( -2.428 3.954 0.000) 4.640 4.705 ( 4.155 0.348 0.000) 4.170 4.803 ( 4.130 0.122 0.000) 4.132 4.817 ( -2.435 -2.759 0.000) 3.680 4.860 ( -0.706 -0.503 0.000) 0.867 5.014 ( -2.109 1.512 0.000) 2.595 5.186 ( 5.157 0.382 0.000) 5.171 5.207 ( 4.258 -0.186 0.000) 4.262 5.281 ( -4.546 -0.160 0.000) 4.549 5.297 ( -5.035 0.180 0.000) 5.038 5.412 ( -1.417 1.459 0.000) 2.034 5.423 ( -3.464 0.182 0.000) 3.469 5.609 ( -0.460 0.478 0.000) 0.664 5.643 ( -2.613 -0.534 0.000) 2.667 5.728 ( -1.209 0.357 0.000) 1.261 5.793 ( -2.007 0.631 0.000) 2.104======================= Grid point 19 (13/98) =======================q-point: (-0.54 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( -0.190 -0.534 0.000) 0.566 1.636 ( 0.818 0.263 0.000) 0.860 1.650 ( -3.153 0.137 0.000) 3.156 1.728 ( -4.014 -0.685 0.000) 4.072 1.763 ( 1.330 1.194 0.000) 1.787 1.774 ( -3.329 0.124 0.000) 3.331 1.843 ( 4.868 0.926 0.000) 4.955 2.015 ( -4.964 -3.084 0.000) 5.844 2.082 ( -1.928 0.353 0.000) 1.960 2.137 ( -4.301 0.471 0.000) 4.327 2.184 ( -4.094 -1.188 0.000) 4.263 2.204 ( -0.423 -2.429 0.000) 2.465 2.246 ( 4.153 0.710 0.000) 4.213 2.326 ( -4.084 -2.014 0.000) 4.554 2.652 ( 0.962 0.049 0.000) 0.963 2.660 ( -3.962 -3.698 0.000) 5.420 2.697 ( 0.029 0.249 0.000) 0.251 2.866 ( 3.480 -4.975 0.000) 6.071 2.954 ( -1.449 0.440 0.000) 1.514 2.974 ( 1.308 -0.425 0.000) 1.375 2.991 ( 6.709 8.437 0.000) 10.779 3.099 ( -0.230 0.774 0.000) 0.807 3.215 ( 0.761 0.987 0.000) 1.246 3.258 ( 1.468 -0.525 0.000) 1.559 3.361 ( -1.140 4.931 0.000) 5.061 3.667 ( -2.822 -0.506 0.000) 2.867 4.181 ( 0.583 1.102 0.000) 1.246 4.232 ( 0.337 0.514 0.000) 0.615 4.307 ( -0.955 -0.335 0.000) 1.012 4.310 ( -0.803 -0.168 0.000) 0.821 4.441 ( -1.739 -1.096 0.000) 2.055 4.532 ( -2.110 -0.924 0.000) 2.303 4.578 ( -0.003 -0.636 0.000) 0.636 4.688 ( -4.056 -1.030 0.000) 4.185 4.802 ( -4.636 0.102 0.000) 4.637 4.855 ( -1.239 -1.278 0.000) 1.780 4.870 ( 5.466 1.957 0.000) 5.806 5.002 ( 2.733 0.863 0.000) 2.866 5.179 ( -5.479 -0.253 0.000) 5.485 5.211 ( -4.022 0.201 0.000) 4.027 5.279 ( 3.315 -0.456 0.000) 3.346 5.292 ( 4.830 -0.218 0.000) 4.835 5.374 ( -0.993 -1.563 0.000) 1.851 5.423 ( 2.301 -0.014 0.000) 2.301 5.600 ( -0.198 -0.313 0.000) 0.371 5.650 ( 3.077 0.179 0.000) 3.083 5.713 ( -0.537 -0.948 0.000) 1.089 5.783 ( 1.236 -0.162 0.000) 1.246======================= Grid point 20 (14/98) =======================q-point: (-0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.519 ( -8.934 0.324 0.000) 8.940 1.601 ( -0.684 -2.216 0.000) 2.319 1.644 ( -0.617 0.049 0.000) 0.618 1.690 ( -1.223 -0.678 0.000) 1.399 1.738 ( -3.265 -5.812 0.000) 6.666 1.779 ( 1.342 2.986 0.000) 3.274 1.888 ( 0.484 1.750 0.000) 1.815 1.921 ( -6.754 -7.499 0.000) 10.092 2.016 ( -6.902 0.657 0.000) 6.933 2.019 ( -3.739 1.680 0.000) 4.099 2.116 ( -4.006 -3.711 0.000) 5.461 2.210 ( -7.270 -5.637 0.000) 9.200 2.249 ( 2.901 -5.702 0.000) 6.398 2.358 ( 5.825 5.552 0.000) 8.047 2.573 ( -5.385 -0.409 0.000) 5.400 2.672 ( 1.027 0.926 0.000) 1.383 2.740 ( 4.675 0.466 0.000) 4.698 2.923 ( -1.622 0.414 0.000) 1.674 2.959 ( 2.142 -4.267 0.000) 4.775 3.001 ( 1.240 -0.605 0.000) 1.379 3.024 ( -0.635 2.434 0.000) 2.516 3.101 ( -0.295 3.796 0.000) 3.807 3.185 ( -3.910 2.539 0.000) 4.662 3.210 ( -1.929 8.365 0.000) 8.584 3.338 ( -1.568 1.565 0.000) 2.215 3.541 ( -8.462 1.705 0.000) 8.632 4.187 ( 0.979 1.273 0.000) 1.606 4.242 ( 1.206 0.584 0.000) 1.340 4.285 ( -2.264 -0.199 0.000) 2.272 4.295 ( -1.366 -0.495 0.000) 1.452 4.370 ( -2.986 -0.000 0.000) 2.986 4.545 ( 0.282 -5.039 0.000) 5.047 4.569 ( -0.785 0.955 0.000) 1.237 4.631 ( -1.900 0.286 0.000) 1.921 4.739 ( -0.265 -1.395 0.000) 1.420 4.844 ( -0.868 -2.341 0.000) 2.497 4.923 ( 1.113 2.902 0.000) 3.108 5.025 ( -0.704 0.651 0.000) 0.959 5.080 ( -4.808 -0.437 0.000) 4.828 5.140 ( -3.537 0.589 0.000) 3.586 5.322 ( 0.980 -3.189 0.000) 3.337 5.387 ( 5.038 -0.425 0.000) 5.056 5.408 ( 2.614 -1.844 0.000) 3.199 5.479 ( 2.974 -0.624 0.000) 3.039 5.610 ( 0.739 -0.576 0.000) 0.937 5.718 ( 0.129 -2.376 0.000) 2.380 5.735 ( 5.694 0.125 0.000) 5.696 5.833 ( 3.412 -0.670 0.000) 3.477======================= Grid point 21 (15/98) =======================q-point: (-0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( -11.597 1.450 0.000) 11.687 1.539 ( -13.262 -4.827 0.000) 14.113 1.566 ( -4.838 -1.331 0.000) 5.017 1.672 ( -1.620 -0.143 0.000) 1.627 1.708 ( -0.192 -1.125 0.000) 1.141 1.752 ( -4.442 -0.492 0.000) 4.469 1.852 ( -2.141 1.548 0.000) 2.642 1.883 ( -3.200 -7.826 0.000) 8.455 1.938 ( 0.620 1.591 0.000) 1.707 1.945 ( -3.140 3.960 0.000) 5.054 2.056 ( -9.300 -7.353 0.000) 11.856 2.133 ( -0.909 -10.292 0.000) 10.332 2.365 ( 5.232 -6.147 0.000) 8.072 2.402 ( 2.012 8.156 0.000) 8.400 2.474 ( -5.588 2.438 0.000) 6.097 2.668 ( -0.737 1.903 0.000) 2.041 2.844 ( 4.875 1.964 0.000) 5.256 2.887 ( -2.264 0.600 0.000) 2.342 2.895 ( -9.458 -1.095 0.000) 9.521 2.963 ( -7.067 2.053 0.000) 7.359 3.025 ( -0.199 -0.817 0.000) 0.841 3.032 ( -9.446 1.619 0.000) 9.583 3.035 ( -2.604 2.799 0.000) 3.823 3.104 ( -6.280 1.997 0.000) 6.590 3.270 ( -0.045 6.355 0.000) 6.356 3.439 ( -2.401 0.288 0.000) 2.419 4.205 ( -0.645 1.352 0.000) 1.497 4.223 ( -3.811 0.083 0.000) 3.812 4.231 ( -1.259 1.599 0.000) 2.035 4.275 ( 2.363 0.408 0.000) 2.398 4.407 ( 4.858 -1.091 0.000) 4.979 4.562 ( -1.730 -4.567 0.000) 4.883 4.576 ( 2.690 2.068 0.000) 3.392 4.621 ( 1.070 -0.123 0.000) 1.077 4.782 ( 2.401 -0.964 0.000) 2.588 4.858 ( 1.361 -2.480 0.000) 2.829 4.876 ( -4.532 2.799 0.000) 5.326 4.980 ( -3.087 -0.670 0.000) 3.159 5.020 ( -1.682 -0.078 0.000) 1.684 5.070 ( -3.512 0.559 0.000) 3.556 5.366 ( 1.401 -4.572 0.000) 4.782 5.468 ( 2.333 -3.517 0.000) 4.220 5.478 ( 4.403 -0.330 0.000) 4.416 5.522 ( 0.981 -0.578 0.000) 1.139 5.624 ( 0.227 -0.828 0.000) 0.858 5.740 ( 0.434 -3.535 0.000) 3.561 5.844 ( 5.905 0.382 0.000) 5.917 5.898 ( 3.044 -0.101 0.000) 3.046======================= Grid point 22 (16/98) =======================q-point: (-0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( -13.599 3.189 0.000) 13.968 1.257 ( -18.443 -3.070 0.000) 18.697 1.434 ( -9.537 0.895 0.000) 9.579 1.566 ( -8.099 1.833 0.000) 8.304 1.700 ( -0.814 -2.611 0.000) 2.735 1.723 ( 0.100 -1.314 0.000) 1.318 1.820 ( -8.459 0.784 0.000) 8.496 1.846 ( 0.808 -0.240 0.000) 0.843 1.861 ( -4.035 -6.293 0.000) 7.475 1.915 ( -6.733 -0.680 0.000) 6.767 1.971 ( 2.130 0.005 0.000) 2.130 2.220 ( 1.187 -12.380 0.000) 12.437 2.254 ( -15.476 8.837 0.000) 17.821 2.333 ( -7.527 4.562 0.000) 8.802 2.437 ( -2.900 -3.388 0.000) 4.460 2.595 ( -14.273 2.672 0.000) 14.521 2.618 ( -5.453 2.055 0.000) 5.827 2.795 ( -4.273 -1.104 0.000) 4.413 2.823 ( -2.732 0.903 0.000) 2.878 2.893 ( -2.375 -0.721 0.000) 2.482 2.908 ( -4.772 0.270 0.000) 4.780 2.994 ( -0.841 5.366 0.000) 5.431 3.040 ( 0.293 -0.151 0.000) 0.329 3.060 ( 2.178 -5.194 0.000) 5.632 3.251 ( 0.404 2.838 0.000) 2.866 3.412 ( 0.092 1.697 0.000) 1.700 4.132 ( -4.003 0.409 0.000) 4.024 4.154 ( -3.513 -0.362 0.000) 3.532 4.258 ( 1.961 2.142 0.000) 2.904 4.312 ( 1.355 0.429 0.000) 1.421 4.503 ( 3.252 0.816 0.000) 3.353 4.532 ( -2.203 -1.807 0.000) 2.850 4.618 ( 2.174 3.490 0.000) 4.112 4.635 ( -4.571 1.067 0.000) 4.694 4.767 ( -0.974 -1.046 0.000) 1.429 4.817 ( 1.059 -2.856 0.000) 3.046 4.872 ( -1.854 -0.574 0.000) 1.941 4.960 ( 0.475 -1.316 0.000) 1.399 5.012 ( -2.439 0.213 0.000) 2.449 5.056 ( 6.472 -0.041 0.000) 6.472 5.406 ( 0.241 -2.069 0.000) 2.083 5.520 ( -1.353 -0.524 0.000) 1.451 5.540 ( 2.498 -6.606 0.000) 7.063 5.552 ( 3.414 -0.132 0.000) 3.417 5.628 ( -0.193 -1.968 0.000) 1.978 5.769 ( 0.423 -4.001 0.000) 4.023 5.941 ( 2.066 1.660 0.000) 2.650 5.948 ( 5.786 1.273 0.000) 5.924======================= Grid point 23 (17/98) =======================q-point: (-0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.784 ( -14.949 5.754 0.000) 16.018 0.901 ( -20.042 1.463 0.000) 20.095 1.209 ( -11.857 5.691 0.000) 13.152 1.421 ( -7.314 0.815 0.000) 7.359 1.613 ( -19.607 6.408 0.000) 20.627 1.660 ( -10.286 1.656 0.000) 10.419 1.721 ( 1.115 -3.592 0.000) 3.762 1.723 ( -9.229 0.728 0.000) 9.258 1.817 ( -2.070 -0.169 0.000) 2.077 1.853 ( -0.858 -0.166 0.000) 0.873 1.943 ( -7.390 0.186 0.000) 7.392 1.986 ( -2.279 -3.553 0.000) 4.221 2.096 ( -14.707 -3.187 0.000) 15.048 2.267 ( -1.584 -4.448 0.000) 4.722 2.297 ( -10.258 -3.356 0.000) 10.793 2.458 ( -6.714 4.615 0.000) 8.147 2.460 ( -0.881 -0.240 0.000) 0.913 2.760 ( -6.139 -1.633 0.000) 6.352 2.825 ( 1.447 -1.414 0.000) 2.023 2.833 ( -2.089 -0.917 0.000) 2.281 2.900 ( -3.417 4.944 0.000) 6.010 2.904 ( 3.328 -3.179 0.000) 4.602 3.039 ( -0.017 0.828 0.000) 0.828 3.153 ( 3.184 -0.069 0.000) 3.184 3.274 ( 2.648 -2.982 0.000) 3.988 3.422 ( 2.067 3.099 0.000) 3.725 4.036 ( -8.390 -0.608 0.000) 8.412 4.094 ( -3.517 -0.909 0.000) 3.633 4.244 ( -3.868 -0.467 0.000) 3.896 4.314 ( -1.000 -0.576 0.000) 1.154 4.377 ( -10.214 3.521 0.000) 10.804 4.503 ( -2.738 0.737 0.000) 2.836 4.582 ( 3.209 2.063 0.000) 3.815 4.583 ( -5.524 -2.348 0.000) 6.002 4.844 ( -0.618 -0.570 0.000) 0.841 4.876 ( 6.897 -3.269 0.000) 7.632 4.885 ( 3.731 -4.084 0.000) 5.532 4.980 ( -0.706 0.289 0.000) 0.763 4.995 ( 2.678 -0.428 0.000) 2.712 5.204 ( 8.585 2.431 0.000) 8.923 5.385 ( -2.538 0.699 0.000) 2.633 5.482 ( -2.748 0.271 0.000) 2.761 5.600 ( 1.067 -1.304 0.000) 1.685 5.604 ( 1.934 -0.154 0.000) 1.940 5.675 ( 2.224 -8.891 0.000) 9.165 5.800 ( 0.741 -3.501 0.000) 3.579 5.962 ( 1.769 3.625 0.000) 4.034 6.050 ( 6.366 2.551 0.000) 6.858======================= Grid point 24 (18/98) =======================q-point: (-0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.465 ( -14.304 10.260 0.000) 17.603 0.515 ( -17.052 10.415 0.000) 19.981 0.971 ( -8.436 9.320 0.000) 12.571 0.991 ( -31.456 21.459 0.000) 38.078 1.247 ( -9.996 3.324 0.000) 10.534 1.486 ( -9.754 1.951 0.000) 9.947 1.615 ( -2.313 -6.740 0.000) 7.126 1.780 ( 2.711 -4.490 0.000) 5.245 1.793 ( -7.544 -5.141 0.000) 9.129 1.807 ( -3.320 -1.240 0.000) 3.544 1.863 ( -1.018 0.286 0.000) 1.057 1.908 ( -4.479 -2.180 0.000) 4.981 1.941 ( -4.554 -8.500 0.000) 9.643 2.207 ( -1.712 -2.224 0.000) 2.807 2.219 ( -3.083 4.016 0.000) 5.063 2.338 ( -2.799 6.677 0.000) 7.240 2.517 ( 4.619 -3.044 0.000) 5.532 2.653 ( -5.102 -1.528 0.000) 5.326 2.779 ( -4.769 -5.455 0.000) 7.246 2.836 ( 0.138 -0.567 0.000) 0.583 2.868 ( 0.991 2.745 0.000) 2.918 2.994 ( 1.858 -3.111 0.000) 3.623 3.046 ( 1.958 -0.185 0.000) 1.966 3.171 ( 0.886 4.929 0.000) 5.008 3.364 ( 3.335 -5.742 0.000) 6.640 3.443 ( 2.539 4.708 0.000) 5.349 3.775 ( -16.713 -0.189 0.000) 16.714 4.027 ( -5.657 -3.896 0.000) 6.869 4.158 ( -3.354 -0.897 0.000) 3.471 4.264 ( -2.263 1.432 0.000) 2.678 4.291 ( -3.644 -5.315 0.000) 6.444 4.439 ( -15.115 -12.472 0.000) 19.596 4.470 ( -0.300 3.339 0.000) 3.353 4.618 ( 1.744 2.067 0.000) 2.704 4.837 ( -0.338 0.267 0.000) 0.430 4.950 ( -0.013 -0.678 0.000) 0.679 4.984 ( 3.695 -3.921 0.000) 5.388 5.028 ( 4.613 -2.076 0.000) 5.059 5.058 ( 3.763 0.141 0.000) 3.766 5.303 ( 2.271 4.294 0.000) 4.858 5.347 ( 1.533 1.616 0.000) 2.228 5.422 ( -2.667 1.874 0.000) 3.260 5.619 ( 0.712 -0.302 0.000) 0.773 5.627 ( 0.617 -0.179 0.000) 0.643 5.760 ( 1.519 -7.198 0.000) 7.356 5.834 ( 0.929 -2.887 0.000) 3.033 5.968 ( 1.173 4.577 0.000) 4.725 6.159 ( 7.249 3.707 0.000) 8.142======================= Grid point 25 (19/98) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.204 ( -0.000 18.518 0.000) 18.518 0.283 ( -0.000 26.043 0.000) 26.043 0.370 ( -0.000 34.214 0.000) 34.214 0.833 ( -0.000 9.094 0.000) 9.094 1.107 ( -0.000 3.485 0.000) 3.485 1.372 ( -0.000 0.561 0.000) 0.561 1.645 ( 0.000 -0.883 0.000) 0.883 1.698 ( 0.000 -10.029 0.000) 10.029 1.783 ( 0.000 -1.438 0.000) 1.438 1.835 ( 0.000 -1.709 0.000) 1.709 1.877 ( 0.000 -0.224 0.000) 0.224 1.893 ( 0.000 -0.887 0.000) 0.887 1.944 ( 0.000 -11.408 0.000) 11.408 2.150 ( -0.000 7.031 0.000) 7.031 2.204 ( -0.000 0.406 0.000) 0.406 2.279 ( -0.000 5.786 0.000) 5.786 2.588 ( 0.000 -0.463 0.000) 0.463 2.610 ( 0.000 -1.307 0.000) 1.307 2.779 ( 0.000 -10.928 0.000) 10.928 2.843 ( 0.000 -0.560 0.000) 0.560 2.869 ( -0.000 1.709 0.000) 1.709 3.006 ( -0.000 0.242 0.000) 0.242 3.089 ( 0.000 -2.974 0.000) 2.974 3.146 ( -0.000 8.829 0.000) 8.829 3.439 ( 0.000 -5.839 0.000) 5.839 3.571 ( -0.000 0.529 0.000) 0.529 3.589 ( -0.000 0.322 0.000) 0.322 3.661 ( 0.000 -0.183 0.000) 0.183 4.131 ( 0.000 -0.932 0.000) 0.932 4.133 ( 0.000 -0.717 0.000) 0.717 4.240 ( -0.000 0.272 0.000) 0.272 4.320 ( 0.000 -0.010 0.000) 0.010 4.448 ( -0.000 3.559 0.000) 3.559 4.624 ( -0.000 1.529 0.000) 1.529 4.828 ( -0.000 0.992 0.000) 0.992 4.950 ( 0.000 -0.195 0.000) 0.195 5.039 ( 0.000 -3.335 0.000) 3.335 5.087 ( 0.000 -1.849 0.000) 1.849 5.104 ( 0.000 -0.124 0.000) 0.124 5.331 ( -0.000 0.182 0.000) 0.182 5.368 ( -0.000 0.153 0.000) 0.153 5.379 ( -0.000 3.348 0.000) 3.348 5.627 ( 0.000 -0.261 0.000) 0.261 5.633 ( 0.000 -0.120 0.000) 0.120 5.794 ( 0.000 -2.166 0.000) 2.166 5.859 ( 0.000 -2.835 0.000) 2.835 5.955 ( -0.000 4.398 0.000) 4.398 6.275 ( 0.000 -0.787 0.000) 0.787======================= Grid point 28 (20/98) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( 13.013 0.000 0.000) 13.013 1.613 ( 4.792 0.000 0.000) 4.792 1.632 ( 6.028 0.000 0.000) 6.028 1.639 ( 5.286 0.000 0.000) 5.286 1.749 ( 7.676 0.000 0.000) 7.676 1.776 ( -2.165 -0.000 0.000) 2.165 1.788 ( 5.588 0.000 0.000) 5.588 1.880 ( 6.261 0.000 0.000) 6.261 1.935 ( -1.798 -0.000 0.000) 1.798 2.054 ( -1.404 -0.000 0.000) 1.404 2.219 ( 10.399 0.000 0.000) 10.399 2.220 ( 6.329 0.000 0.000) 6.329 2.338 ( 6.854 0.000 0.000) 6.854 2.478 ( 0.543 0.000 0.000) 0.543 2.520 ( -6.454 -0.000 0.000) 6.454 2.594 ( 3.573 0.000 0.000) 3.573 2.713 ( -0.755 -0.000 0.000) 0.755 2.875 ( -2.086 -0.000 0.000) 2.086 2.876 ( 2.307 0.000 0.000) 2.307 2.945 ( 8.120 0.000 0.000) 8.120 2.985 ( 0.767 0.000 0.000) 0.767 3.012 ( 6.816 0.000 0.000) 6.816 3.041 ( -0.476 -0.000 0.000) 0.476 3.045 ( 6.307 0.000 0.000) 6.307 3.191 ( -1.656 -0.000 0.000) 1.656 3.422 ( 3.069 0.000 0.000) 3.069 4.186 ( -1.242 -0.000 0.000) 1.242 4.196 ( 4.321 0.000 0.000) 4.321 4.229 ( 3.629 0.000 0.000) 3.629 4.256 ( -1.939 -0.000 0.000) 1.939 4.425 ( -2.569 -0.000 0.000) 2.569 4.541 ( -0.516 -0.000 0.000) 0.516 4.611 ( -1.376 -0.000 0.000) 1.376 4.664 ( 2.991 0.000 0.000) 2.991 4.795 ( -3.629 -0.000 0.000) 3.629 4.811 ( 2.346 0.000 0.000) 2.346 4.885 ( -0.108 -0.000 0.000) 0.108 4.996 ( 0.883 0.000 0.000) 0.883 5.023 ( 2.960 0.000 0.000) 2.960 5.060 ( 3.260 0.000 0.000) 3.260 5.410 ( -1.829 -0.000 0.000) 1.829 5.483 ( -4.243 -0.000 0.000) 4.243 5.523 ( -1.028 -0.000 0.000) 1.028 5.574 ( -2.386 -0.000 0.000) 2.386 5.753 ( -3.709 -0.000 0.000) 3.709 5.754 ( -4.758 -0.000 0.000) 4.758 5.809 ( -2.186 -0.000 0.000) 2.186 5.903 ( -1.119 -0.000 0.000) 1.119======================= Grid point 29 (21/98) =======================q-point: ( 0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( 9.180 -0.195 0.000) 9.183 1.637 ( -1.124 -0.091 0.000) 1.128 1.653 ( 1.225 0.334 0.000) 1.269 1.705 ( 1.226 0.217 0.000) 1.245 1.752 ( 0.071 0.649 0.000) 0.653 1.817 ( -2.027 -1.382 0.000) 2.453 1.915 ( 6.530 2.537 0.000) 7.006 1.996 ( 5.616 0.117 0.000) 5.617 2.006 ( 7.231 -0.077 0.000) 7.231 2.041 ( 1.000 -1.127 0.000) 1.507 2.309 ( -0.636 1.244 0.000) 1.397 2.335 ( 1.677 3.660 0.000) 4.026 2.366 ( -1.108 6.886 0.000) 6.975 2.394 ( -6.051 1.667 0.000) 6.277 2.488 ( 1.450 -5.799 0.000) 5.978 2.634 ( 0.646 -0.647 0.000) 0.915 2.652 ( 0.636 -3.571 0.000) 3.627 2.811 ( -5.350 -2.649 0.000) 5.969 2.911 ( 1.611 -0.161 0.000) 1.619 3.022 ( -1.366 0.347 0.000) 1.409 3.031 ( 2.646 -1.097 0.000) 2.865 3.089 ( 1.192 1.431 0.000) 1.863 3.114 ( 3.994 -0.839 0.000) 4.082 3.116 ( 2.279 1.516 0.000) 2.737 3.261 ( 11.009 -2.031 0.000) 11.195 3.494 ( 4.168 -0.475 0.000) 4.195 4.174 ( -0.073 0.023 0.000) 0.076 4.231 ( -0.564 -0.069 0.000) 0.569 4.284 ( 4.331 -0.277 0.000) 4.340 4.292 ( 2.733 0.063 0.000) 2.734 4.390 ( -0.936 0.343 0.000) 0.997 4.545 ( 0.643 -0.181 0.000) 0.668 4.619 ( 2.561 -0.123 0.000) 2.564 4.693 ( 0.641 2.350 0.000) 2.435 4.760 ( 0.315 0.089 0.000) 0.328 4.817 ( -2.168 -2.066 0.000) 2.994 4.875 ( -0.848 0.072 0.000) 0.852 5.027 ( 1.677 0.174 0.000) 1.686 5.096 ( 4.762 0.188 0.000) 4.766 5.128 ( 3.887 -0.110 0.000) 3.889 5.360 ( -3.527 0.118 0.000) 3.529 5.396 ( -5.099 0.074 0.000) 5.099 5.485 ( -2.869 0.459 0.000) 2.905 5.507 ( -4.231 0.799 0.000) 4.306 5.661 ( -3.021 2.778 0.000) 4.104 5.692 ( -4.445 -2.635 0.000) 5.168 5.768 ( -2.065 0.382 0.000) 2.100 5.857 ( -3.251 0.345 0.000) 3.270======================= Grid point 30 (22/98) =======================q-point: ( 0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( 0.289 -0.070 0.000) 0.297 1.627 ( 0.009 -0.180 0.000) 0.180 1.688 ( 1.619 2.291 0.000) 2.806 1.727 ( 2.915 -0.586 0.000) 2.973 1.753 ( 0.414 -0.499 0.000) 0.648 1.790 ( -1.585 -1.289 0.000) 2.043 1.938 ( -1.808 6.958 0.000) 7.189 2.058 ( -1.978 0.026 0.000) 1.978 2.080 ( 2.071 -0.489 0.000) 2.128 2.115 ( 3.756 -0.447 0.000) 3.783 2.191 ( -1.543 1.917 0.000) 2.461 2.256 ( -3.832 0.462 0.000) 3.860 2.283 ( -5.188 1.449 0.000) 5.387 2.369 ( -4.244 -3.478 0.000) 5.487 2.577 ( 5.526 -3.334 0.000) 6.453 2.639 ( -0.001 -0.483 0.000) 0.483 2.715 ( -2.859 -0.939 0.000) 3.009 2.764 ( 2.739 -2.537 0.000) 3.733 2.941 ( 1.512 -0.247 0.000) 1.532 2.992 ( -1.604 0.410 0.000) 1.656 3.012 ( 0.458 2.907 0.000) 2.943 3.121 ( -0.599 0.734 0.000) 0.947 3.159 ( 4.407 -1.272 0.000) 4.587 3.180 ( 2.772 -0.709 0.000) 2.861 3.436 ( 5.621 4.171 0.000) 7.000 3.584 ( 4.376 -4.218 0.000) 6.078 4.181 ( 0.878 0.519 0.000) 1.019 4.233 ( 0.472 0.277 0.000) 0.547 4.318 ( 0.209 0.216 0.000) 0.300 4.328 ( 0.218 0.753 0.000) 0.784 4.394 ( 0.828 -1.779 0.000) 1.962 4.560 ( 0.385 -0.912 0.000) 0.990 4.637 ( -2.985 3.473 0.000) 4.579 4.704 ( 1.707 -0.583 0.000) 1.804 4.790 ( 0.791 -2.040 0.000) 2.188 4.804 ( 3.687 0.101 0.000) 3.689 4.855 ( -1.355 -0.368 0.000) 1.404 5.029 ( -1.462 1.053 0.000) 1.802 5.190 ( 5.125 0.247 0.000) 5.131 5.205 ( 4.343 -0.107 0.000) 4.345 5.279 ( -4.955 -0.167 0.000) 4.958 5.298 ( -5.104 0.099 0.000) 5.105 5.419 ( -3.853 0.080 0.000) 3.853 5.430 ( -2.596 0.912 0.000) 2.751 5.614 ( -1.277 0.497 0.000) 1.370 5.636 ( -1.761 -0.586 0.000) 1.856 5.730 ( -1.778 0.117 0.000) 1.782 5.799 ( -2.282 0.444 0.000) 2.325======================= Grid point 31 (23/98) =======================q-point: (-0.62 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( -0.828 -0.405 0.000) 0.922 1.638 ( 1.124 0.126 0.000) 1.131 1.653 ( -4.507 0.415 0.000) 4.526 1.720 ( -2.890 -0.734 0.000) 2.982 1.778 ( 3.135 1.564 0.000) 3.503 1.794 ( -7.701 3.476 0.000) 8.449 1.849 ( 4.911 0.096 0.000) 4.912 1.977 ( -6.958 -4.014 0.000) 8.033 2.088 ( -0.843 0.686 0.000) 1.086 2.139 ( -2.792 -0.137 0.000) 2.795 2.171 ( -4.969 -0.937 0.000) 5.056 2.183 ( -3.875 -1.332 0.000) 4.098 2.245 ( -0.924 -0.844 0.000) 1.252 2.308 ( 1.265 -1.544 0.000) 1.996 2.620 ( -2.000 -2.032 0.000) 2.851 2.652 ( 1.300 -0.096 0.000) 1.304 2.714 ( 0.647 1.584 0.000) 1.711 2.809 ( 3.222 -5.205 0.000) 6.122 2.959 ( -1.440 0.350 0.000) 1.482 2.970 ( 1.209 -0.301 0.000) 1.246 3.063 ( 3.665 4.702 0.000) 5.961 3.110 ( 1.688 1.113 0.000) 2.022 3.224 ( 1.656 0.612 0.000) 1.766 3.239 ( 3.032 -2.024 0.000) 3.645 3.438 ( -0.512 8.282 0.000) 8.297 3.647 ( -1.293 -3.145 0.000) 3.400 4.196 ( 1.136 1.442 0.000) 1.835 4.238 ( 0.415 0.658 0.000) 0.778 4.305 ( -1.828 0.095 0.000) 1.830 4.309 ( -0.889 -0.028 0.000) 0.890 4.418 ( -0.227 -2.706 0.000) 2.715 4.533 ( -5.490 0.713 0.000) 5.536 4.568 ( 0.039 -1.103 0.000) 1.103 4.677 ( -2.945 -0.898 0.000) 3.079 4.804 ( -4.381 0.340 0.000) 4.394 4.839 ( -1.772 -1.640 0.000) 2.414 4.887 ( 6.150 1.212 0.000) 6.268 5.016 ( 2.304 1.490 0.000) 2.744 5.177 ( -5.656 -0.123 0.000) 5.658 5.213 ( -3.929 0.139 0.000) 3.931 5.273 ( 2.318 -0.695 0.000) 2.420 5.290 ( 4.742 -0.158 0.000) 4.744 5.361 ( -1.256 -0.957 0.000) 1.579 5.422 ( 1.676 -0.035 0.000) 1.676 5.598 ( -0.285 -0.208 0.000) 0.353 5.651 ( 3.004 0.080 0.000) 3.005 5.703 ( -1.260 -0.788 0.000) 1.486 5.782 ( 0.854 0.006 0.000) 0.854======================= Grid point 32 (24/98) =======================q-point: (-0.54 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( -8.517 0.190 0.000) 8.519 1.579 ( -0.864 -1.811 0.000) 2.006 1.640 ( -4.500 -1.141 0.000) 4.642 1.683 ( -1.602 -0.602 0.000) 1.711 1.688 ( -0.973 -3.104 0.000) 3.253 1.815 ( 1.114 3.464 0.000) 3.639 1.847 ( -8.704 -6.064 0.000) 10.608 1.902 ( 0.235 0.824 0.000) 0.857 2.027 ( -5.831 1.367 0.000) 5.989 2.038 ( -4.103 1.670 0.000) 4.430 2.087 ( -4.176 -1.589 0.000) 4.468 2.153 ( -7.456 -4.625 0.000) 8.774 2.188 ( 1.741 -5.532 0.000) 5.799 2.413 ( 6.948 3.691 0.000) 7.868 2.567 ( -3.699 0.284 0.000) 3.710 2.680 ( 1.451 0.594 0.000) 1.568 2.744 ( 4.021 -0.072 0.000) 4.022 2.911 ( 2.996 -4.134 0.000) 5.106 2.927 ( -1.622 0.328 0.000) 1.655 2.995 ( 1.141 -0.466 0.000) 1.233 3.046 ( -1.776 1.705 0.000) 2.462 3.142 ( -1.034 3.359 0.000) 3.515 3.209 ( -3.517 1.972 0.000) 4.032 3.269 ( -0.896 1.724 0.000) 1.943 3.378 ( -0.028 6.562 0.000) 6.562 3.554 ( -8.617 0.541 0.000) 8.634 4.205 ( 1.035 1.937 0.000) 2.196 4.247 ( 1.073 0.422 0.000) 1.153 4.285 ( -0.398 -1.207 0.000) 1.271 4.285 ( -1.844 0.413 0.000) 1.890 4.375 ( -3.708 0.783 0.000) 3.789 4.492 ( -0.459 -4.667 0.000) 4.690 4.575 ( 0.292 0.089 0.000) 0.305 4.634 ( -1.672 0.191 0.000) 1.682 4.724 ( -1.554 -1.255 0.000) 1.997 4.817 ( -1.589 -2.582 0.000) 3.032 4.950 ( 1.095 2.049 0.000) 2.324 5.034 ( -1.147 0.931 0.000) 1.478 5.078 ( -4.259 0.132 0.000) 4.261 5.146 ( -3.277 0.567 0.000) 3.326 5.284 ( -0.747 -3.599 0.000) 3.676 5.383 ( 4.952 -0.417 0.000) 4.969 5.396 ( 2.862 -0.638 0.000) 2.932 5.473 ( 2.962 -0.499 0.000) 3.003 5.605 ( 0.737 -0.326 0.000) 0.806 5.694 ( -0.586 -2.100 0.000) 2.180 5.735 ( 5.497 -0.199 0.000) 5.501 5.827 ( 3.436 -0.429 0.000) 3.463======================= Grid point 33 (25/98) =======================q-point: (-0.46 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( -10.634 1.527 0.000) 10.743 1.493 ( -12.362 -3.518 0.000) 12.853 1.554 ( -3.587 -0.975 0.000) 3.717 1.665 ( -1.086 -1.109 0.000) 1.552 1.697 ( -0.570 -1.174 0.000) 1.305 1.748 ( -6.549 -0.428 0.000) 6.563 1.796 ( -1.441 -8.127 0.000) 8.253 1.859 ( -3.789 -0.141 0.000) 3.792 1.967 ( 1.152 3.623 0.000) 3.802 1.969 ( -3.169 -5.453 0.000) 6.307 1.981 ( -8.629 -1.909 0.000) 8.838 2.059 ( -3.919 -1.824 0.000) 4.323 2.301 ( 5.997 -5.676 0.000) 8.257 2.481 ( -0.828 0.970 0.000) 1.275 2.498 ( -0.796 7.136 0.000) 7.180 2.685 ( -0.568 1.285 0.000) 1.405 2.848 ( 5.954 -0.845 0.000) 6.014 2.890 ( -8.016 -0.438 0.000) 8.028 2.894 ( -1.944 0.556 0.000) 2.022 2.976 ( -6.200 1.017 0.000) 6.283 3.016 ( 0.058 -0.768 0.000) 0.770 3.053 ( -10.763 2.242 0.000) 10.994 3.066 ( -0.958 1.954 0.000) 2.177 3.139 ( -12.153 4.939 0.000) 13.118 3.335 ( -1.526 5.332 0.000) 5.546 3.439 ( -1.756 -0.109 0.000) 1.759 4.222 ( -1.023 1.759 0.000) 2.035 4.227 ( -3.771 0.667 0.000) 3.829 4.248 ( -0.415 1.539 0.000) 1.594 4.277 ( 2.067 -0.000 0.000) 2.067 4.394 ( 5.397 -1.347 0.000) 5.563 4.511 ( -0.933 -4.788 0.000) 4.878 4.599 ( 3.521 2.083 0.000) 4.091 4.620 ( 0.361 -0.174 0.000) 0.401 4.768 ( 2.680 -1.522 0.000) 3.082 4.823 ( 1.994 -3.844 0.000) 4.330 4.905 ( -4.774 2.391 0.000) 5.339 4.974 ( -3.914 -0.482 0.000) 3.944 5.020 ( -2.414 0.155 0.000) 2.419 5.077 ( -3.767 0.620 0.000) 3.818 5.307 ( 0.721 -5.598 0.000) 5.644 5.445 ( 1.813 -1.159 0.000) 2.152 5.474 ( 4.513 -0.409 0.000) 4.532 5.517 ( 1.195 -0.352 0.000) 1.246 5.619 ( 0.396 -0.257 0.000) 0.472 5.703 ( -0.011 -3.278 0.000) 3.278 5.844 ( 5.823 -0.397 0.000) 5.837 5.898 ( 3.665 -0.052 0.000) 3.665======================= Grid point 34 (26/98) =======================q-point: (-0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( -12.063 3.712 0.000) 12.622 1.242 ( -14.884 0.504 0.000) 14.893 1.447 ( -7.312 1.464 0.000) 7.458 1.582 ( -8.969 0.994 0.000) 9.024 1.671 ( -0.815 -2.748 0.000) 2.866 1.698 ( -1.055 -3.271 0.000) 3.437 1.785 ( -9.942 -5.498 0.000) 11.361 1.800 ( -4.209 -5.174 0.000) 6.670 1.825 ( -0.770 -3.361 0.000) 3.448 1.959 ( -2.807 7.165 0.000) 7.695 1.984 ( 1.347 2.227 0.000) 2.603 2.072 ( 2.407 -14.600 0.000) 14.797 2.334 ( -12.235 5.069 0.000) 13.243 2.386 ( -11.668 5.535 0.000) 12.914 2.400 ( -1.152 -3.511 0.000) 3.695 2.638 ( -4.839 1.697 0.000) 5.127 2.645 ( -13.034 6.359 0.000) 14.502 2.790 ( -6.858 0.319 0.000) 6.865 2.826 ( -5.520 -1.186 0.000) 5.646 2.887 ( -2.412 -0.461 0.000) 2.455 2.909 ( -7.518 0.722 0.000) 7.552 3.009 ( 4.309 -3.790 0.000) 5.739 3.037 ( 0.716 -0.218 0.000) 0.748 3.051 ( 1.372 5.028 0.000) 5.212 3.275 ( -2.890 1.498 0.000) 3.256 3.429 ( 0.555 1.304 0.000) 1.417 4.139 ( -4.606 0.864 0.000) 4.686 4.154 ( -3.567 0.400 0.000) 3.589 4.277 ( 0.985 1.127 0.000) 1.497 4.310 ( 0.614 -0.932 0.000) 1.116 4.501 ( -0.925 -1.185 0.000) 1.503 4.524 ( 5.931 0.207 0.000) 5.934 4.640 ( -1.622 -0.155 0.000) 1.630 4.659 ( 2.581 3.891 0.000) 4.669 4.761 ( -5.885 0.079 0.000) 5.886 4.787 ( -0.418 -2.497 0.000) 2.531 4.865 ( -3.091 -0.679 0.000) 3.164 4.946 ( 1.805 -1.395 0.000) 2.281 5.014 ( -2.574 0.132 0.000) 2.577 5.044 ( 6.724 -2.319 0.000) 7.113 5.367 ( 2.131 -4.847 0.000) 5.294 5.477 ( 0.510 -3.402 0.000) 3.440 5.521 ( -0.585 -0.208 0.000) 0.621 5.551 ( 3.484 -0.156 0.000) 3.487 5.620 ( -0.272 -0.149 0.000) 0.310 5.727 ( 0.605 -3.676 0.000) 3.726 5.953 ( 5.915 -0.098 0.000) 5.916 5.957 ( 3.114 1.332 0.000) 3.387======================= Grid point 35 (27/98) =======================q-point: (-0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.854 ( -12.454 6.994 0.000) 14.284 0.949 ( -13.828 7.570 0.000) 15.765 1.275 ( -8.643 6.387 0.000) 10.747 1.424 ( -7.280 -0.494 0.000) 7.297 1.606 ( -9.759 -4.951 0.000) 10.943 1.656 ( -7.670 -1.677 0.000) 7.852 1.683 ( 0.274 -3.145 0.000) 3.157 1.775 ( -6.502 2.886 0.000) 7.113 1.821 ( -6.784 1.992 0.000) 7.070 1.836 ( -0.769 -3.199 0.000) 3.291 1.957 ( -5.288 -1.318 0.000) 5.449 1.983 ( -15.354 8.458 0.000) 17.529 2.070 ( -16.428 -2.143 0.000) 16.568 2.197 ( 2.603 -7.795 0.000) 8.218 2.258 ( -11.099 -3.874 0.000) 11.756 2.466 ( -4.022 1.579 0.000) 4.321 2.507 ( -5.021 4.483 0.000) 6.731 2.726 ( -7.314 -4.592 0.000) 8.636 2.805 ( 2.824 -2.239 0.000) 3.604 2.830 ( -2.261 0.408 0.000) 2.297 2.877 ( 1.181 -1.796 0.000) 2.150 2.961 ( -3.109 5.889 0.000) 6.659 3.047 ( 0.547 0.750 0.000) 0.929 3.158 ( 5.921 0.826 0.000) 5.978 3.234 ( -1.487 -4.228 0.000) 4.482 3.451 ( 2.784 2.164 0.000) 3.526 4.029 ( -8.962 -0.661 0.000) 8.986 4.086 ( -4.198 -0.526 0.000) 4.230 4.235 ( -5.327 -1.033 0.000) 5.426 4.297 ( -3.077 -2.623 0.000) 4.043 4.416 ( -9.992 3.585 0.000) 10.616 4.514 ( -0.820 1.365 0.000) 1.592 4.560 ( -10.804 -1.758 0.000) 10.946 4.607 ( 3.700 2.365 0.000) 4.392 4.835 ( 1.402 -4.048 0.000) 4.284 4.837 ( 6.693 -3.835 0.000) 7.713 4.851 ( 3.176 1.089 0.000) 3.358 4.981 ( -0.852 -0.009 0.000) 0.852 4.993 ( 3.212 -0.086 0.000) 3.213 5.221 ( 9.297 0.483 0.000) 9.309 5.394 ( -0.819 0.982 0.000) 1.279 5.481 ( -1.897 -0.832 0.000) 2.071 5.555 ( 3.118 -6.333 0.000) 7.059 5.602 ( 1.862 -0.175 0.000) 1.870 5.621 ( 0.320 -1.282 0.000) 1.322 5.765 ( 1.414 -2.978 0.000) 3.296 5.999 ( 2.684 3.280 0.000) 4.239 6.066 ( 6.425 0.720 0.000) 6.466======================= Grid point 36 (28/98) =======================q-point: (-0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( -10.148 11.948 0.000) 15.676 0.677 ( -6.356 18.649 0.000) 19.703 1.086 ( -5.684 11.474 0.000) 12.805 1.229 ( -25.060 21.756 0.000) 33.186 1.285 ( -7.783 3.305 0.000) 8.456 1.510 ( -10.797 2.584 0.000) 11.102 1.538 ( -3.563 -6.940 0.000) 7.801 1.714 ( -0.251 -7.465 0.000) 7.469 1.744 ( -8.051 -3.931 0.000) 8.960 1.791 ( -4.419 -1.755 0.000) 4.755 1.858 ( -4.550 -6.675 0.000) 8.079 1.859 ( -3.991 -1.453 0.000) 4.248 1.879 ( -1.494 -2.848 0.000) 3.216 2.167 ( -2.358 -4.881 0.000) 5.421 2.231 ( -1.252 -2.277 0.000) 2.599 2.413 ( -1.747 6.806 0.000) 7.027 2.480 ( 4.200 -3.383 0.000) 5.393 2.628 ( -4.933 -2.917 0.000) 5.731 2.748 ( -6.306 -0.231 0.000) 6.310 2.829 ( 0.098 -0.739 0.000) 0.745 2.908 ( 0.472 4.653 0.000) 4.677 2.950 ( 2.880 -4.323 0.000) 5.194 3.054 ( 0.844 1.313 0.000) 1.561 3.216 ( 2.512 2.701 0.000) 3.689 3.284 ( 1.856 -8.281 0.000) 8.486 3.494 ( 3.323 4.133 0.000) 5.303 3.773 ( -16.011 -0.279 0.000) 16.013 3.973 ( -11.950 -5.827 0.000) 13.295 4.150 ( -3.229 -0.632 0.000) 3.290 4.212 ( -9.563 -7.019 0.000) 11.863 4.276 ( -3.744 0.754 0.000) 3.819 4.373 ( -7.856 -2.267 0.000) 8.177 4.513 ( 1.093 4.327 0.000) 4.463 4.644 ( 1.833 2.648 0.000) 3.221 4.846 ( 0.251 0.713 0.000) 0.756 4.939 ( 1.250 -1.376 0.000) 1.859 4.940 ( 3.507 -3.243 0.000) 4.777 5.003 ( 3.172 -2.513 0.000) 4.046 5.062 ( 3.794 0.294 0.000) 3.805 5.332 ( 1.963 1.462 0.000) 2.448 5.366 ( 0.348 1.792 0.000) 1.826 5.447 ( -0.791 2.400 0.000) 2.527 5.615 ( 0.810 -0.510 0.000) 0.957 5.625 ( 0.615 -0.247 0.000) 0.663 5.686 ( 3.774 -6.598 0.000) 7.601 5.806 ( 1.306 -2.239 0.000) 2.592 6.019 ( 1.641 4.794 0.000) 5.067 6.182 ( 6.359 0.966 0.000) 6.432======================= Grid point 37 (29/98) =======================q-point: (-0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.395 ( -0.000 16.877 0.000) 16.877 0.557 ( -0.000 24.815 0.000) 24.815 0.732 ( -0.000 32.849 0.000) 32.849 0.962 ( -0.000 13.924 0.000) 13.924 1.158 ( -0.000 5.728 0.000) 5.728 1.380 ( -0.000 0.981 0.000) 0.981 1.586 ( 0.000 -10.100 0.000) 10.100 1.631 ( 0.000 -1.734 0.000) 1.734 1.744 ( 0.000 -7.973 0.000) 7.973 1.809 ( 0.000 -2.919 0.000) 2.919 1.824 ( 0.000 -8.302 0.000) 8.302 1.860 ( 0.000 -2.536 0.000) 2.536 1.878 ( 0.000 -1.865 0.000) 1.865 2.176 ( 0.000 -4.624 0.000) 4.624 2.213 ( -0.000 2.768 0.000) 2.768 2.361 ( -0.000 7.999 0.000) 7.999 2.580 ( 0.000 -1.093 0.000) 1.093 2.591 ( 0.000 -2.012 0.000) 2.012 2.671 ( 0.000 -7.438 0.000) 7.438 2.835 ( 0.000 -0.816 0.000) 0.816 2.896 ( -0.000 3.314 0.000) 3.314 2.996 ( 0.000 -2.732 0.000) 2.732 3.063 ( 0.000 -0.678 0.000) 0.678 3.234 ( -0.000 6.626 0.000) 6.626 3.353 ( 0.000 -9.542 0.000) 9.542 3.579 ( -0.000 0.908 0.000) 0.908 3.594 ( -0.000 0.549 0.000) 0.549 3.657 ( 0.000 -0.604 0.000) 0.604 4.118 ( 0.000 -1.364 0.000) 1.364 4.124 ( 0.000 -0.911 0.000) 0.911 4.243 ( -0.000 0.131 0.000) 0.131 4.319 ( 0.000 -0.295 0.000) 0.295 4.497 ( -0.000 5.186 0.000) 5.186 4.647 ( -0.000 2.552 0.000) 2.552 4.842 ( -0.000 1.452 0.000) 1.452 4.948 ( 0.000 -0.276 0.000) 0.276 4.995 ( 0.000 -4.216 0.000) 4.216 5.058 ( 0.000 -3.327 0.000) 3.327 5.103 ( 0.000 -0.071 0.000) 0.071 5.334 ( -0.000 0.321 0.000) 0.321 5.371 ( -0.000 0.270 0.000) 0.270 5.424 ( -0.000 4.546 0.000) 4.546 5.624 ( 0.000 -0.423 0.000) 0.423 5.631 ( 0.000 -0.209 0.000) 0.209 5.759 ( 0.000 -4.249 0.000) 4.249 5.831 ( 0.000 -2.269 0.000) 2.269 6.007 ( -0.000 5.183 0.000) 5.183 6.264 ( 0.000 -1.196 0.000) 1.196======================= Grid point 42 (30/98) =======================q-point: ( 0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( 0.467 0.000 0.000) 0.467 1.626 ( 0.062 0.000 0.000) 0.062 1.707 ( 3.655 0.000 0.000) 3.655 1.719 ( 0.772 0.000 0.000) 0.772 1.748 ( -1.334 -0.000 0.000) 1.334 1.783 ( 0.300 0.000 0.000) 0.300 1.981 ( -0.183 -0.000 0.000) 0.183 2.059 ( -2.802 -0.000 0.000) 2.802 2.074 ( 2.505 0.000 0.000) 2.505 2.112 ( 3.607 0.000 0.000) 3.607 2.210 ( -6.308 -0.000 0.000) 6.308 2.259 ( -4.025 -0.000 0.000) 4.025 2.291 ( -5.681 -0.000 0.000) 5.681 2.335 ( -4.290 -0.000 0.000) 4.290 2.562 ( 7.268 0.000 0.000) 7.268 2.636 ( 0.132 0.000 0.000) 0.132 2.713 ( -3.174 -0.000 0.000) 3.174 2.748 ( 3.391 0.000 0.000) 3.391 2.939 ( 1.545 0.000 0.000) 1.545 2.994 ( -1.684 -0.000 0.000) 1.684 3.028 ( 1.343 0.000 0.000) 1.343 3.125 ( -0.971 -0.000 0.000) 0.971 3.153 ( 4.139 0.000 0.000) 4.139 3.176 ( 3.171 0.000 0.000) 3.171 3.465 ( 9.047 0.000 0.000) 9.047 3.554 ( 2.249 0.000 0.000) 2.249 4.184 ( 1.059 0.000 0.000) 1.059 4.234 ( 0.607 0.000 0.000) 0.607 4.320 ( 0.164 0.000 0.000) 0.164 4.333 ( 0.616 0.000 0.000) 0.616 4.383 ( 0.029 0.000 0.000) 0.029 4.555 ( 0.323 0.000 0.000) 0.323 4.661 ( -2.656 -0.000 0.000) 2.656 4.697 ( -0.986 -0.000 0.000) 0.986 4.778 ( 3.242 0.000 0.000) 3.242 4.805 ( 3.503 0.000 0.000) 3.503 4.853 ( -1.544 -0.000 0.000) 1.544 5.035 ( -1.198 -0.000 0.000) 1.198 5.191 ( 5.131 0.000 0.000) 5.131 5.204 ( 4.375 0.000 0.000) 4.375 5.278 ( -5.128 -0.000 0.000) 5.128 5.299 ( -5.128 -0.000 0.000) 5.128 5.419 ( -4.228 -0.000 0.000) 4.228 5.436 ( -2.826 -0.000 0.000) 2.826 5.618 ( -2.115 -0.000 0.000) 2.115 5.632 ( -0.891 -0.000 0.000) 0.891 5.731 ( -1.974 -0.000 0.000) 1.974 5.801 ( -2.388 -0.000 0.000) 2.388======================= Grid point 43 (31/98) =======================q-point: (-0.69 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( -1.224 -0.145 0.000) 1.233 1.639 ( 1.268 0.031 0.000) 1.268 1.657 ( -5.796 0.219 0.000) 5.800 1.714 ( -1.814 -0.324 0.000) 1.842 1.792 ( 4.785 0.851 0.000) 4.861 1.838 ( -12.385 3.652 0.000) 12.912 1.847 ( 4.496 -0.220 0.000) 4.502 1.933 ( -6.901 -3.517 0.000) 7.746 2.094 ( 0.130 0.389 0.000) 0.410 2.136 ( -1.232 -0.250 0.000) 1.257 2.167 ( -5.037 0.033 0.000) 5.037 2.175 ( -6.585 -0.301 0.000) 6.592 2.233 ( -6.174 -1.044 0.000) 6.262 2.293 ( 7.343 -0.945 0.000) 7.403 2.618 ( 0.024 0.811 0.000) 0.811 2.651 ( 1.523 -0.058 0.000) 1.524 2.720 ( -2.852 -0.412 0.000) 2.881 2.767 ( 5.872 -1.934 0.000) 6.183 2.962 ( -1.574 0.194 0.000) 1.586 2.968 ( 1.278 -0.171 0.000) 1.290 3.094 ( -0.833 1.313 0.000) 1.555 3.120 ( 5.500 0.488 0.000) 5.522 3.224 ( 3.046 -0.742 0.000) 3.135 3.228 ( 2.119 0.203 0.000) 2.128 3.526 ( 0.267 7.718 0.000) 7.722 3.600 ( -0.224 -5.691 0.000) 5.695 4.208 ( 1.606 0.699 0.000) 1.752 4.244 ( 0.407 0.304 0.000) 0.508 4.308 ( -2.703 0.284 0.000) 2.718 4.309 ( -0.847 0.024 0.000) 0.847 4.393 ( 0.373 -1.477 0.000) 1.523 4.540 ( -7.198 0.427 0.000) 7.211 4.558 ( -0.037 -0.560 0.000) 0.562 4.670 ( -1.973 -0.374 0.000) 2.008 4.809 ( -4.095 0.569 0.000) 4.134 4.823 ( -2.123 -1.090 0.000) 2.386 4.896 ( 6.484 0.409 0.000) 6.497 5.028 ( 2.059 0.702 0.000) 2.176 5.176 ( -5.745 -0.032 0.000) 5.745 5.214 ( -3.880 0.049 0.000) 3.880 5.267 ( 1.475 -0.363 0.000) 1.519 5.289 ( 4.692 -0.058 0.000) 4.692 5.354 ( -1.156 -0.306 0.000) 1.195 5.422 ( 1.312 -0.018 0.000) 1.312 5.596 ( -0.311 -0.073 0.000) 0.320 5.652 ( 2.930 0.023 0.000) 2.930 5.697 ( -1.661 -0.302 0.000) 1.688 5.783 ( 0.624 0.021 0.000) 0.624======================= Grid point 44 (32/98) =======================q-point: (-0.62 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( -8.174 0.120 0.000) 8.175 1.564 ( -1.025 -1.053 0.000) 1.470 1.622 ( -9.398 -1.619 0.000) 9.537 1.671 ( 1.614 -0.532 0.000) 1.699 1.678 ( -1.936 -0.345 0.000) 1.967 1.795 ( -9.123 -3.430 0.000) 9.746 1.849 ( -0.012 2.714 0.000) 2.714 1.906 ( 0.358 -0.149 0.000) 0.388 2.047 ( -3.738 2.576 0.000) 4.540 2.050 ( -7.023 0.639 0.000) 7.052 2.079 ( -4.173 -0.882 0.000) 4.265 2.118 ( -4.528 -1.377 0.000) 4.733 2.131 ( 0.276 -4.960 0.000) 4.967 2.425 ( 4.830 -0.842 0.000) 4.903 2.597 ( 0.116 5.082 0.000) 5.083 2.685 ( 1.732 0.293 0.000) 1.757 2.728 ( 3.241 -3.223 0.000) 4.571 2.879 ( 3.747 -1.695 0.000) 4.112 2.930 ( -1.626 0.194 0.000) 1.638 2.991 ( 1.061 -0.270 0.000) 1.095 3.061 ( -1.430 1.091 0.000) 1.799 3.170 ( -1.852 1.783 0.000) 2.571 3.226 ( -3.075 1.069 0.000) 3.256 3.267 ( 0.758 -0.906 0.000) 1.181 3.456 ( -2.140 6.936 0.000) 7.259 3.549 ( -7.205 -1.595 0.000) 7.379 4.227 ( 0.981 2.167 0.000) 2.378 4.250 ( 0.473 0.048 0.000) 0.476 4.270 ( -0.330 -1.526 0.000) 1.561 4.293 ( -0.953 0.850 0.000) 1.277 4.386 ( -2.604 1.374 0.000) 2.945 4.447 ( -2.011 -3.686 0.000) 4.199 4.570 ( 1.186 -0.880 0.000) 1.477 4.635 ( -1.585 0.088 0.000) 1.587 4.716 ( -3.011 -0.174 0.000) 3.017 4.792 ( -1.931 -1.829 0.000) 2.660 4.967 ( 1.087 1.053 0.000) 1.513 5.041 ( -2.427 0.431 0.000) 2.465 5.083 ( -3.015 0.691 0.000) 3.093 5.152 ( -3.025 0.362 0.000) 3.046 5.250 ( -1.734 -2.430 0.000) 2.985 5.379 ( 4.852 -0.270 0.000) 4.859 5.392 ( 2.964 -0.203 0.000) 2.971 5.469 ( 2.987 -0.279 0.000) 3.000 5.603 ( 0.764 -0.156 0.000) 0.780 5.675 ( -1.045 -1.219 0.000) 1.605 5.732 ( 5.292 -0.190 0.000) 5.296 5.824 ( 3.430 -0.209 0.000) 3.436======================= Grid point 45 (33/98) =======================q-point: (-0.54 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( -9.703 1.223 0.000) 9.780 1.468 ( -9.378 -1.116 0.000) 9.444 1.545 ( -2.148 -0.621 0.000) 2.236 1.652 ( -1.306 -1.142 0.000) 1.735 1.672 ( -4.250 -4.289 0.000) 6.038 1.723 ( 1.642 -3.998 0.000) 4.323 1.742 ( -8.182 -0.595 0.000) 8.204 1.855 ( -5.436 -0.427 0.000) 5.453 1.907 ( -8.916 -4.257 0.000) 9.880 1.945 ( -8.941 -4.184 0.000) 9.872 2.009 ( 1.032 3.865 0.000) 4.001 2.087 ( -0.152 4.519 0.000) 4.522 2.245 ( 7.196 -4.602 0.000) 8.542 2.464 ( -1.689 -2.674 0.000) 3.163 2.586 ( 0.955 7.813 0.000) 7.871 2.696 ( -0.507 0.736 0.000) 0.893 2.835 ( 5.395 -1.684 0.000) 5.652 2.878 ( -5.043 -1.388 0.000) 5.231 2.899 ( -1.675 0.382 0.000) 1.718 2.992 ( -9.812 1.714 0.000) 9.960 3.009 ( 0.086 -0.543 0.000) 0.550 3.077 ( -0.458 0.386 0.000) 0.599 3.077 ( -11.179 2.050 0.000) 11.366 3.198 ( -9.217 5.244 0.000) 10.604 3.378 ( -4.902 2.420 0.000) 5.467 3.439 ( -1.301 0.254 0.000) 1.326 4.237 ( -2.990 1.055 0.000) 3.170 4.241 ( -1.331 1.747 0.000) 2.196 4.263 ( 0.293 1.255 0.000) 1.289 4.276 ( 0.836 -0.135 0.000) 0.847 4.379 ( 4.834 -1.269 0.000) 4.998 4.463 ( 0.271 -3.956 0.000) 3.965 4.618 ( 4.168 1.099 0.000) 4.311 4.618 ( -0.162 -0.195 0.000) 0.254 4.750 ( 4.171 -1.807 0.000) 4.546 4.783 ( 1.086 -3.293 0.000) 3.467 4.926 ( -4.763 1.570 0.000) 5.015 4.969 ( -4.189 -0.311 0.000) 4.200 5.023 ( -3.851 0.340 0.000) 3.866 5.083 ( -4.067 0.525 0.000) 4.101 5.256 ( 0.705 -3.695 0.000) 3.761 5.438 ( 1.707 -0.372 0.000) 1.747 5.470 ( 4.619 -0.377 0.000) 4.634 5.514 ( 1.334 -0.229 0.000) 1.353 5.618 ( 0.563 -0.077 0.000) 0.568 5.673 ( -0.232 -2.255 0.000) 2.267 5.838 ( 5.682 -0.542 0.000) 5.707 5.897 ( 4.091 -0.022 0.000) 4.091======================= Grid point 46 (34/98) =======================q-point: (-0.46 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.151 ( -10.532 3.460 0.000) 11.086 1.272 ( -9.984 5.094 0.000) 11.208 1.465 ( -5.736 1.868 0.000) 6.032 1.584 ( -9.634 -0.541 0.000) 9.649 1.645 ( -0.252 -1.880 0.000) 1.897 1.651 ( -2.253 -5.425 0.000) 5.874 1.729 ( -11.023 -4.849 0.000) 12.042 1.752 ( -2.173 -3.341 0.000) 3.985 1.782 ( -2.518 -4.353 0.000) 5.029 1.914 ( -0.166 -13.688 0.000) 13.689 2.012 ( 0.441 2.708 0.000) 2.743 2.047 ( 0.014 8.065 0.000) 8.065 2.362 ( -11.361 0.924 0.000) 11.399 2.364 ( 0.079 -3.094 0.000) 3.095 2.452 ( -12.725 6.218 0.000) 14.163 2.653 ( -3.971 1.137 0.000) 4.131 2.714 ( -9.534 5.094 0.000) 10.810 2.788 ( -9.206 -4.954 0.000) 10.455 2.801 ( -9.139 1.673 0.000) 9.290 2.883 ( -2.386 -0.431 0.000) 2.425 2.937 ( -8.500 4.065 0.000) 9.422 2.985 ( 4.642 -0.335 0.000) 4.654 3.035 ( 1.015 -0.163 0.000) 1.028 3.098 ( 2.022 3.391 0.000) 3.948 3.281 ( -5.283 -0.373 0.000) 5.296 3.438 ( 0.703 0.474 0.000) 0.848 4.151 ( -5.272 1.311 0.000) 5.432 4.164 ( -3.514 1.613 0.000) 3.866 4.280 ( -0.854 -0.548 0.000) 1.015 4.292 ( -0.590 -2.314 0.000) 2.388 4.490 ( 1.591 -0.495 0.000) 1.666 4.526 ( 8.167 -0.125 0.000) 8.168 4.633 ( 0.456 -0.913 0.000) 1.021 4.695 ( 3.470 2.545 0.000) 4.303 4.767 ( -9.783 0.946 0.000) 9.829 4.768 ( -1.858 -0.660 0.000) 1.972 4.857 ( -4.577 -0.982 0.000) 4.681 4.929 ( 4.874 -1.955 0.000) 5.251 5.011 ( 5.413 -3.440 0.000) 6.414 5.015 ( -2.770 0.042 0.000) 2.770 5.318 ( 3.666 -3.714 0.000) 5.218 5.458 ( 0.080 -0.780 0.000) 0.785 5.518 ( -0.790 -0.278 0.000) 0.838 5.549 ( 3.599 -0.153 0.000) 3.602 5.621 ( -0.164 0.131 0.000) 0.210 5.692 ( 0.935 -2.762 0.000) 2.916 5.949 ( 5.993 -0.626 0.000) 6.025 5.970 ( 3.936 0.951 0.000) 4.049======================= Grid point 47 (35/98) =======================q-point: (-0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( -10.110 6.919 0.000) 12.251 1.061 ( -7.078 12.840 0.000) 14.662 1.341 ( -5.459 5.450 0.000) 7.714 1.408 ( -8.804 -2.201 0.000) 9.075 1.551 ( -9.532 -4.785 0.000) 10.665 1.620 ( -4.235 -4.710 0.000) 6.334 1.657 ( 0.225 -1.657 0.000) 1.672 1.758 ( -0.457 -3.607 0.000) 3.636 1.787 ( -0.723 -5.581 0.000) 5.627 1.858 ( -10.807 1.989 0.000) 10.988 1.960 ( -6.864 1.565 0.000) 7.041 2.036 ( -15.052 -4.206 0.000) 15.629 2.096 ( -14.989 8.263 0.000) 17.115 2.132 ( -0.520 -0.466 0.000) 0.699 2.214 ( -12.703 -4.298 0.000) 13.410 2.493 ( -8.898 3.082 0.000) 9.417 2.551 ( -3.959 3.532 0.000) 5.306 2.671 ( -6.399 -4.810 0.000) 8.005 2.783 ( 3.499 -1.457 0.000) 3.790 2.838 ( -2.445 0.980 0.000) 2.634 2.864 ( -0.072 -0.890 0.000) 0.893 3.019 ( -0.653 4.744 0.000) 4.789 3.055 ( 1.173 0.643 0.000) 1.338 3.151 ( 1.666 -4.075 0.000) 4.403 3.201 ( -1.258 0.039 0.000) 1.259 3.467 ( 2.986 0.897 0.000) 3.118 4.022 ( -9.780 -0.550 0.000) 9.795 4.084 ( -5.339 0.201 0.000) 5.343 4.223 ( -5.146 -1.217 0.000) 5.288 4.260 ( -5.022 -4.044 0.000) 6.448 4.449 ( -11.958 2.390 0.000) 12.195 4.533 ( 1.868 1.991 0.000) 2.730 4.546 ( -13.437 -0.836 0.000) 13.463 4.631 ( 3.786 1.978 0.000) 4.272 4.791 ( 1.913 -3.806 0.000) 4.260 4.796 ( 6.859 -3.594 0.000) 7.743 4.878 ( 4.374 3.413 0.000) 5.548 4.980 ( -1.084 -0.200 0.000) 1.102 4.991 ( 3.489 -0.204 0.000) 3.495 5.212 ( 10.346 -2.110 0.000) 10.559 5.404 ( 2.234 0.434 0.000) 2.275 5.455 ( -0.659 -3.273 0.000) 3.339 5.509 ( 0.793 -1.909 0.000) 2.067 5.600 ( 1.780 -0.157 0.000) 1.787 5.617 ( -0.018 0.035 0.000) 0.039 5.736 ( 2.181 -2.229 0.000) 3.119 6.032 ( 3.627 2.670 0.000) 4.504 6.068 ( 6.542 -0.201 0.000) 6.545======================= Grid point 48 (36/98) =======================q-point: (-0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.714 ( -7.248 11.455 0.000) 13.556 0.894 ( -0.314 20.992 0.000) 20.994 1.205 ( -3.748 10.085 0.000) 10.759 1.303 ( -4.582 -0.744 0.000) 4.642 1.412 ( -12.341 6.663 0.000) 14.025 1.492 ( -6.624 2.349 0.000) 7.028 1.544 ( -13.964 3.709 0.000) 14.448 1.641 ( -5.757 -4.879 0.000) 7.547 1.714 ( -8.657 -0.912 0.000) 8.705 1.771 ( -5.963 -1.916 0.000) 6.264 1.795 ( -2.151 -5.131 0.000) 5.564 1.830 ( -4.427 -2.990 0.000) 5.343 1.854 ( -3.219 -1.867 0.000) 3.721 2.108 ( -3.134 -5.848 0.000) 6.635 2.175 ( -2.982 -7.311 0.000) 7.896 2.449 ( 4.361 -2.388 0.000) 4.972 2.478 ( -1.392 4.976 0.000) 5.167 2.597 ( -3.564 -2.527 0.000) 4.369 2.759 ( -6.192 1.362 0.000) 6.340 2.822 ( 0.256 -0.492 0.000) 0.554 2.910 ( 2.858 -2.915 0.000) 4.083 2.969 ( -0.203 6.702 0.000) 6.705 3.070 ( 1.059 1.678 0.000) 1.984 3.164 ( -1.289 -10.220 0.000) 10.301 3.257 ( 4.300 1.519 0.000) 4.561 3.527 ( 3.600 1.882 0.000) 4.062 3.770 ( -15.179 -0.316 0.000) 15.182 3.911 ( -16.046 -5.229 0.000) 16.876 4.145 ( -3.160 -0.308 0.000) 3.175 4.158 ( -6.575 -3.358 0.000) 7.383 4.281 ( -4.860 0.152 0.000) 4.862 4.358 ( -6.019 -0.925 0.000) 6.089 4.558 ( 1.810 3.778 0.000) 4.189 4.671 ( 1.844 2.195 0.000) 2.867 4.835 ( 0.773 -2.853 0.000) 2.956 4.920 ( 3.401 -2.161 0.000) 4.029 4.935 ( 3.207 2.401 0.000) 4.006 4.979 ( 0.967 -1.681 0.000) 1.939 5.064 ( 3.763 0.215 0.000) 3.769 5.340 ( 1.921 0.261 0.000) 1.939 5.385 ( -0.994 1.624 0.000) 1.904 5.465 ( 0.978 0.375 0.000) 1.048 5.600 ( 3.450 -3.221 0.000) 4.720 5.622 ( 0.611 -0.258 0.000) 0.663 5.629 ( 2.211 -2.592 0.000) 3.407 5.786 ( 1.742 -1.511 0.000) 2.306 6.069 ( 2.253 4.437 0.000) 4.976 6.186 ( 5.592 -0.110 0.000) 5.593======================= Grid point 49 (37/98) =======================q-point: (-0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -0.000 14.946 0.000) 14.946 0.813 ( -0.000 22.803 0.000) 22.803 1.070 ( -0.000 29.577 0.000) 29.577 1.112 ( -0.000 12.979 0.000) 12.979 1.223 ( -0.000 6.106 0.000) 6.106 1.392 ( -0.000 1.170 0.000) 1.170 1.494 ( 0.000 -6.515 0.000) 6.515 1.609 ( 0.000 -2.317 0.000) 2.317 1.612 ( 0.000 -13.824 0.000) 13.824 1.775 ( 0.000 -2.970 0.000) 2.970 1.775 ( 0.000 -3.220 0.000) 3.220 1.827 ( 0.000 -3.473 0.000) 3.473 1.851 ( 0.000 -3.200 0.000) 3.200 2.115 ( 0.000 -6.331 0.000) 6.331 2.182 ( 0.000 -8.144 0.000) 8.144 2.438 ( -0.000 6.193 0.000) 6.193 2.560 ( 0.000 -2.331 0.000) 2.331 2.573 ( 0.000 -1.322 0.000) 1.322 2.641 ( -0.000 1.139 0.000) 1.139 2.826 ( 0.000 -0.679 0.000) 0.679 2.940 ( -0.000 5.067 0.000) 5.067 2.957 ( 0.000 -3.544 0.000) 3.544 3.072 ( -0.000 1.701 0.000) 1.701 3.218 ( 0.000 -11.092 0.000) 11.092 3.305 ( -0.000 2.483 0.000) 2.483 3.589 ( -0.000 1.031 0.000) 1.031 3.600 ( -0.000 0.621 0.000) 0.621 3.648 ( 0.000 -1.100 0.000) 1.100 4.104 ( 0.000 -1.195 0.000) 1.195 4.116 ( 0.000 -0.602 0.000) 0.602 4.242 ( 0.000 -0.321 0.000) 0.321 4.313 ( 0.000 -0.777 0.000) 0.777 4.552 ( -0.000 4.757 0.000) 4.757 4.676 ( -0.000 2.545 0.000) 2.545 4.850 ( 0.000 -0.531 0.000) 0.531 4.945 ( 0.000 -0.191 0.000) 0.191 4.963 ( 0.000 -0.911 0.000) 0.911 5.018 ( 0.000 -3.908 0.000) 3.908 5.103 ( -0.000 0.130 0.000) 0.130 5.338 ( -0.000 0.383 0.000) 0.383 5.374 ( -0.000 0.326 0.000) 0.326 5.469 ( -0.000 3.483 0.000) 3.483 5.619 ( 0.000 -0.428 0.000) 0.428 5.629 ( 0.000 -0.249 0.000) 0.249 5.705 ( 0.000 -5.540 0.000) 5.540 5.810 ( 0.000 -1.503 0.000) 1.503 6.064 ( -0.000 5.254 0.000) 5.254 6.251 ( 0.000 -1.137 0.000) 1.137======================= Grid point 56 (38/98) =======================q-point: (-0.69 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( -8.076 -0.000 0.000) 8.076 1.558 ( -1.058 -0.000 0.000) 1.058 1.613 ( -10.765 -0.000 0.000) 10.765 1.669 ( 1.806 0.000 0.000) 1.806 1.676 ( -2.065 -0.000 0.000) 2.065 1.776 ( -8.958 -0.000 0.000) 8.958 1.866 ( -1.249 -0.000 0.000) 1.249 1.903 ( 1.013 0.000 0.000) 1.013 2.057 ( -7.015 -0.000 0.000) 7.015 2.066 ( -7.851 -0.000 0.000) 7.851 2.079 ( 0.460 0.000 0.000) 0.460 2.086 ( -3.476 -0.000 0.000) 3.476 2.116 ( -0.755 -0.000 0.000) 0.755 2.417 ( 3.660 0.000 0.000) 3.660 2.644 ( 1.864 0.000 0.000) 1.864 2.686 ( 1.831 0.000 0.000) 1.831 2.692 ( 2.986 0.000 0.000) 2.986 2.871 ( 3.909 0.000 0.000) 3.909 2.931 ( -1.630 -0.000 0.000) 1.630 2.990 ( 1.032 0.000 0.000) 1.032 3.067 ( -1.165 -0.000 0.000) 1.165 3.179 ( -2.208 -0.000 0.000) 2.208 3.232 ( -2.880 -0.000 0.000) 2.880 3.261 ( 1.318 0.000 0.000) 1.318 3.517 ( -4.806 0.000 0.000) 4.806 3.517 ( -4.804 0.000 0.000) 4.804 4.245 ( 2.029 0.000 0.000) 2.029 4.250 ( 0.185 0.000 0.000) 0.185 4.256 ( -1.529 -0.000 0.000) 1.529 4.299 ( -0.493 -0.000 0.000) 0.493 4.400 ( 0.770 0.000 0.000) 0.770 4.421 ( -5.419 -0.000 0.000) 5.419 4.563 ( 1.295 0.000 0.000) 1.295 4.636 ( -1.565 -0.000 0.000) 1.565 4.717 ( -3.464 -0.000 0.000) 3.464 4.782 ( -2.019 -0.000 0.000) 2.019 4.972 ( 1.080 0.000 0.000) 1.080 5.044 ( -3.069 -0.000 0.000) 3.069 5.088 ( -2.389 -0.000 0.000) 2.389 5.154 ( -2.916 -0.000 0.000) 2.916 5.236 ( -2.055 -0.000 0.000) 2.055 5.377 ( 4.805 0.000 0.000) 4.805 5.391 ( 2.986 0.000 0.000) 2.986 5.467 ( 3.003 0.000 0.000) 3.003 5.602 ( 0.777 0.000 0.000) 0.777 5.669 ( -1.200 -0.000 0.000) 1.200 5.731 ( 5.208 0.000 0.000) 5.208 5.822 ( 3.423 0.000 0.000) 3.423======================= Grid point 58 (39/98) =======================q-point: (-0.62 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.362 ( -9.114 0.480 0.000) 9.127 1.466 ( -5.523 0.342 0.000) 5.534 1.541 ( -1.136 -0.222 0.000) 1.157 1.622 ( -7.420 -3.342 0.000) 8.137 1.643 ( -1.625 -0.468 0.000) 1.691 1.705 ( 1.951 -0.465 0.000) 2.006 1.737 ( -9.234 -0.304 0.000) 9.239 1.851 ( -6.338 -0.168 0.000) 6.340 1.880 ( -10.854 -1.089 0.000) 10.909 1.910 ( -9.235 -1.903 0.000) 9.429 2.043 ( -0.003 1.964 0.000) 1.964 2.128 ( 1.332 2.328 0.000) 2.682 2.207 ( 8.758 -2.132 0.000) 9.013 2.437 ( -1.083 -1.686 0.000) 2.004 2.654 ( -0.293 4.092 0.000) 4.102 2.701 ( -0.496 0.239 0.000) 0.551 2.811 ( 6.214 -2.030 0.000) 6.537 2.868 ( -4.254 -0.373 0.000) 4.270 2.901 ( -1.548 0.136 0.000) 1.554 3.005 ( 0.105 -0.196 0.000) 0.223 3.007 ( -13.635 0.875 0.000) 13.663 3.079 ( 1.683 0.044 0.000) 1.683 3.094 ( -11.201 0.841 0.000) 11.232 3.239 ( -5.124 2.081 0.000) 5.530 3.391 ( -7.666 0.420 0.000) 7.677 3.444 ( -1.926 0.306 0.000) 1.950 4.246 ( -1.079 0.545 0.000) 1.209 4.256 ( -1.268 0.821 0.000) 1.511 4.274 ( 0.610 0.550 0.000) 0.821 4.275 ( -1.530 -0.024 0.000) 1.530 4.369 ( 3.054 -0.556 0.000) 3.104 4.431 ( 2.105 -1.670 0.000) 2.688 4.616 ( -0.442 -0.085 0.000) 0.450 4.622 ( 4.942 -0.078 0.000) 4.943 4.737 ( 5.331 -0.376 0.000) 5.344 4.757 ( -0.247 -1.439 0.000) 1.460 4.938 ( -4.693 0.540 0.000) 4.724 4.967 ( -4.188 -0.114 0.000) 4.190 5.026 ( -5.002 0.185 0.000) 5.006 5.087 ( -4.280 0.213 0.000) 4.286 5.230 ( 1.138 -1.234 0.000) 1.678 5.435 ( 1.694 -0.089 0.000) 1.696 5.467 ( 4.685 -0.160 0.000) 4.687 5.512 ( 1.391 -0.082 0.000) 1.393 5.617 ( 0.663 -0.015 0.000) 0.664 5.656 ( -0.304 -0.793 0.000) 0.850 5.834 ( 5.582 -0.235 0.000) 5.587 5.897 ( 4.311 -0.006 0.000) 4.311======================= Grid point 59 (40/98) =======================q-point: (-0.54 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( -9.340 2.184 0.000) 9.592 1.349 ( -4.739 8.938 0.000) 10.117 1.484 ( -5.309 1.398 0.000) 5.490 1.576 ( -8.733 -0.592 0.000) 8.753 1.578 ( -1.824 -8.461 0.000) 8.656 1.629 ( -0.020 -1.250 0.000) 1.250 1.684 ( -10.939 -3.195 0.000) 11.396 1.730 ( -2.493 -0.876 0.000) 2.642 1.740 ( -4.454 -2.999 0.000) 5.370 1.791 ( -2.659 -8.417 0.000) 8.827 2.037 ( -0.172 1.835 0.000) 1.843 2.124 ( 0.516 5.793 0.000) 5.816 2.336 ( 0.692 -1.933 0.000) 2.053 2.363 ( -10.301 -0.541 0.000) 10.315 2.514 ( -12.938 5.297 0.000) 13.980 2.662 ( -3.438 0.519 0.000) 3.477 2.701 ( -13.454 -5.698 0.000) 14.611 2.780 ( -4.186 2.240 0.000) 4.748 2.821 ( -10.715 1.729 0.000) 10.854 2.877 ( -2.051 -0.491 0.000) 2.109 2.961 ( 3.268 0.236 0.000) 3.276 3.023 ( -8.015 6.600 0.000) 10.383 3.034 ( 1.152 -0.058 0.000) 1.154 3.118 ( -0.891 -0.076 0.000) 0.894 3.270 ( -5.354 -1.335 0.000) 5.518 3.440 ( 0.907 -0.016 0.000) 0.907 4.166 ( -6.012 1.315 0.000) 6.155 4.189 ( -3.340 2.850 0.000) 4.391 4.261 ( -1.885 -3.319 0.000) 3.817 4.268 ( -2.118 -1.385 0.000) 2.530 4.491 ( 4.117 0.524 0.000) 4.150 4.521 ( 9.199 -0.718 0.000) 9.227 4.624 ( 0.943 -0.662 0.000) 1.153 4.708 ( 2.871 0.065 0.000) 2.872 4.777 ( -11.481 0.769 0.000) 11.506 4.779 ( -1.052 2.364 0.000) 2.588 4.841 ( -5.574 -2.172 0.000) 5.982 4.906 ( 8.696 -1.872 0.000) 8.896 4.981 ( 2.599 -1.729 0.000) 3.121 5.015 ( -2.947 -0.002 0.000) 2.947 5.291 ( 4.482 -1.508 0.000) 4.729 5.454 ( 0.207 -0.117 0.000) 0.238 5.515 ( -1.006 -0.239 0.000) 1.034 5.548 ( 3.725 -0.102 0.000) 3.727 5.622 ( -0.076 0.125 0.000) 0.146 5.669 ( 1.200 -1.460 0.000) 1.890 5.942 ( 6.048 -0.491 0.000) 6.068 5.978 ( 4.468 0.501 0.000) 4.496======================= Grid point 60 (41/98) =======================q-point: (-0.46 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( -8.263 5.373 0.000) 9.856 1.216 ( -1.899 15.733 0.000) 15.847 1.357 ( -7.897 -2.659 0.000) 8.333 1.415 ( -6.459 4.176 0.000) 7.691 1.510 ( -8.636 -2.537 0.000) 9.001 1.564 ( -3.537 -5.408 0.000) 6.461 1.646 ( 0.728 -0.618 0.000) 0.954 1.711 ( -0.864 -5.727 0.000) 5.792 1.725 ( -0.725 -5.607 0.000) 5.654 1.822 ( -3.614 -7.381 0.000) 8.218 1.986 ( -6.333 3.102 0.000) 7.052 2.015 ( -19.233 0.808 0.000) 19.250 2.112 ( -3.131 1.341 0.000) 3.406 2.167 ( -15.037 -4.318 0.000) 15.645 2.214 ( -14.007 7.585 0.000) 15.929 2.509 ( -11.025 -1.403 0.000) 11.114 2.580 ( -3.731 1.880 0.000) 4.178 2.654 ( -5.713 2.920 0.000) 6.416 2.776 ( 3.834 0.039 0.000) 3.834 2.847 ( -4.247 0.532 0.000) 4.280 2.856 ( -0.663 -0.618 0.000) 0.906 3.059 ( 2.841 2.629 0.000) 3.870 3.061 ( 1.759 0.480 0.000) 1.823 3.083 ( -4.861 -7.351 0.000) 8.813 3.222 ( 1.016 2.557 0.000) 2.751 3.472 ( 2.654 0.013 0.000) 2.654 4.017 ( -10.644 -0.343 0.000) 10.649 4.090 ( -7.236 0.889 0.000) 7.291 4.211 ( -4.270 -0.979 0.000) 4.381 4.216 ( -5.233 -3.860 0.000) 6.503 4.468 ( -13.289 1.219 0.000) 13.345 4.540 ( -14.362 -0.376 0.000) 14.367 4.554 ( 3.053 1.689 0.000) 3.489 4.647 ( 3.313 1.094 0.000) 3.489 4.756 ( 1.675 -2.490 0.000) 3.001 4.764 ( 7.635 -2.386 0.000) 7.999 4.920 ( 6.087 4.276 0.000) 7.439 4.977 ( -1.267 -0.224 0.000) 1.286 4.988 ( 3.735 -0.311 0.000) 3.748 5.177 ( 11.211 -4.097 0.000) 11.936 5.394 ( 4.329 -1.786 0.000) 4.683 5.443 ( -1.310 0.901 0.000) 1.590 5.495 ( -0.227 -1.258 0.000) 1.279 5.598 ( 1.705 -0.108 0.000) 1.708 5.618 ( -0.061 0.202 0.000) 0.211 5.717 ( 2.845 -1.356 0.000) 3.151 6.056 ( 4.395 1.762 0.000) 4.735 6.065 ( 6.709 -0.391 0.000) 6.721======================= Grid point 61 (42/98) =======================q-point: (-0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.828 ( -5.334 9.432 0.000) 10.836 1.118 ( 1.763 20.339 0.000) 20.415 1.249 ( -5.422 -5.426 0.000) 7.670 1.310 ( -1.571 6.311 0.000) 6.504 1.407 ( -3.755 -1.594 0.000) 4.079 1.527 ( -3.490 -0.079 0.000) 3.491 1.577 ( -14.668 1.294 0.000) 14.725 1.621 ( -7.406 0.658 0.000) 7.435 1.717 ( -6.018 -1.165 0.000) 6.130 1.741 ( -1.710 -4.005 0.000) 4.355 1.756 ( -6.962 -1.567 0.000) 7.136 1.801 ( -5.359 -3.289 0.000) 6.288 1.864 ( -11.104 4.769 0.000) 12.085 2.047 ( -3.413 -5.287 0.000) 6.293 2.104 ( -5.261 -3.814 0.000) 6.498 2.428 ( 3.974 -1.438 0.000) 4.226 2.518 ( -1.614 2.444 0.000) 2.928 2.576 ( -2.760 -1.285 0.000) 3.045 2.759 ( -6.709 -2.090 0.000) 7.027 2.821 ( 0.389 0.380 0.000) 0.544 2.888 ( 3.059 -1.402 0.000) 3.365 3.038 ( -1.784 0.310 0.000) 1.811 3.067 ( -0.285 -1.567 0.000) 1.593 3.088 ( 1.568 1.669 0.000) 2.290 3.268 ( 3.863 0.495 0.000) 3.894 3.534 ( 3.448 -0.436 0.000) 3.475 3.766 ( -14.414 -0.276 0.000) 14.417 3.865 ( -16.885 -3.418 0.000) 17.228 4.133 ( -4.311 -1.473 0.000) 4.556 4.143 ( -2.969 -0.060 0.000) 2.970 4.281 ( -5.778 -0.109 0.000) 5.779 4.349 ( -6.049 -0.779 0.000) 6.099 4.589 ( 1.767 1.984 0.000) 2.657 4.690 ( 1.843 1.307 0.000) 2.260 4.799 ( 1.131 -3.176 0.000) 3.372 4.898 ( 4.724 -1.763 0.000) 5.042 4.967 ( -0.212 -0.770 0.000) 0.799 4.977 ( 2.970 4.791 0.000) 5.637 5.068 ( 4.068 0.679 0.000) 4.125 5.339 ( 2.781 -0.521 0.000) 2.829 5.399 ( -2.036 0.925 0.000) 2.236 5.443 ( 1.830 -4.187 0.000) 4.570 5.567 ( 4.855 -1.740 0.000) 5.157 5.619 ( 0.605 -0.211 0.000) 0.641 5.622 ( 0.689 0.185 0.000) 0.713 5.773 ( 2.153 -0.862 0.000) 2.319 6.112 ( 2.853 3.446 0.000) 4.474 6.183 ( 5.268 -0.321 0.000) 5.278======================= Grid point 62 (43/98) =======================q-point: (-0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.714 ( -0.000 12.482 0.000) 12.482 1.043 ( -0.000 19.912 0.000) 19.912 1.208 ( -0.000 2.652 0.000) 2.652 1.283 ( -0.000 4.772 0.000) 4.772 1.333 ( -0.000 15.150 0.000) 15.150 1.405 ( -0.000 1.201 0.000) 1.201 1.474 ( -0.000 6.356 0.000) 6.356 1.494 ( 0.000 -5.771 0.000) 5.771 1.584 ( 0.000 -2.279 0.000) 2.279 1.742 ( 0.000 -3.378 0.000) 3.378 1.744 ( 0.000 -2.494 0.000) 2.494 1.789 ( 0.000 -3.520 0.000) 3.520 1.807 ( 0.000 -5.118 0.000) 5.118 2.046 ( 0.000 -6.098 0.000) 6.098 2.075 ( 0.000 -9.561 0.000) 9.561 2.490 ( -0.000 3.345 0.000) 3.345 2.536 ( 0.000 -1.981 0.000) 1.981 2.559 ( 0.000 -1.297 0.000) 1.297 2.656 ( 0.000 -0.357 0.000) 0.357 2.822 ( 0.000 -0.105 0.000) 0.105 2.929 ( 0.000 -1.637 0.000) 1.637 3.005 ( -0.000 6.466 0.000) 6.466 3.094 ( -0.000 2.188 0.000) 2.188 3.095 ( 0.000 -9.943 0.000) 9.943 3.322 ( -0.000 0.420 0.000) 0.420 3.600 ( -0.000 0.888 0.000) 0.888 3.606 ( -0.000 0.535 0.000) 0.535 3.631 ( 0.000 -2.070 0.000) 2.070 4.094 ( 0.000 -0.657 0.000) 0.657 4.112 ( 0.000 -0.069 0.000) 0.069 4.236 ( 0.000 -0.774 0.000) 0.774 4.303 ( 0.000 -1.153 0.000) 1.153 4.594 ( -0.000 2.861 0.000) 2.861 4.699 ( -0.000 1.755 0.000) 1.755 4.827 ( 0.000 -3.101 0.000) 3.101 4.943 ( 0.000 -0.205 0.000) 0.205 4.980 ( 0.000 -2.999 0.000) 2.999 4.982 ( -0.000 3.888 0.000) 3.888 5.107 ( -0.000 0.601 0.000) 0.601 5.342 ( -0.000 0.356 0.000) 0.356 5.377 ( -0.000 0.308 0.000) 0.308 5.487 ( 0.000 -0.829 0.000) 0.829 5.613 ( 0.000 -0.941 0.000) 0.941 5.626 ( 0.000 -0.235 0.000) 0.235 5.653 ( 0.000 -3.230 0.000) 3.230 5.798 ( 0.000 -0.817 0.000) 0.817 6.117 ( -0.000 4.575 0.000) 4.575 6.241 ( 0.000 -0.809 0.000) 0.809======================= Grid point 71 (44/98) =======================q-point: (-0.62 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( -8.871 -0.000 0.000) 8.871 1.435 ( 0.819 0.000 0.000) 0.819 1.492 ( -5.750 -0.000 0.000) 5.750 1.493 ( -4.375 -0.000 0.000) 4.375 1.574 ( -7.537 -0.000 0.000) 7.537 1.621 ( 0.032 0.000 0.000) 0.032 1.666 ( -10.548 -0.000 0.000) 10.548 1.723 ( -5.458 -0.000 0.000) 5.458 1.732 ( -8.915 -0.000 0.000) 8.915 1.739 ( 1.356 0.000 0.000) 1.356 2.048 ( -0.378 -0.000 0.000) 0.378 2.158 ( 0.744 0.000 0.000) 0.744 2.325 ( 0.864 0.000 0.000) 0.864 2.358 ( -9.459 -0.000 0.000) 9.459 2.551 ( -12.318 -0.000 0.000) 12.318 2.660 ( -15.700 -0.000 0.000) 15.700 2.665 ( -3.300 -0.000 0.000) 3.300 2.793 ( -2.799 -0.000 0.000) 2.799 2.832 ( -11.667 -0.000 0.000) 11.667 2.874 ( -1.440 -0.000 0.000) 1.440 2.961 ( 5.235 0.000 0.000) 5.235 3.034 ( 1.180 0.000 0.000) 1.180 3.090 ( -8.277 0.000 0.000) 8.277 3.090 ( -5.362 0.000 0.000) 5.362 3.262 ( -3.925 -0.000 0.000) 3.925 3.440 ( 1.058 0.000 0.000) 1.058 4.174 ( -6.512 -0.000 0.000) 6.512 4.223 ( -3.805 -0.000 0.000) 3.805 4.224 ( -1.904 -0.000 0.000) 1.904 4.258 ( -2.263 -0.000 0.000) 2.263 4.496 ( 4.460 0.000 0.000) 4.460 4.515 ( 10.020 0.000 0.000) 10.020 4.620 ( 0.986 0.000 0.000) 0.986 4.707 ( 2.149 0.000 0.000) 2.149 4.782 ( -11.908 -0.000 0.000) 11.908 4.806 ( 7.744 0.000 0.000) 7.744 4.815 ( -12.645 -0.000 0.000) 12.645 4.896 ( 8.965 0.000 0.000) 8.965 4.973 ( 1.532 0.000 0.000) 1.532 5.015 ( -3.019 -0.000 0.000) 3.019 5.283 ( 4.740 0.000 0.000) 4.740 5.453 ( 0.314 0.000 0.000) 0.314 5.514 ( -1.122 -0.000 0.000) 1.122 5.547 ( 3.783 0.000 0.000) 3.783 5.623 ( -0.042 -0.000 0.000) 0.042 5.661 ( 1.294 0.000 0.000) 1.294 5.940 ( 6.070 0.000 0.000) 6.070 5.980 ( 4.653 0.000 0.000) 4.653======================= Grid point 73 (45/98) =======================q-point: (-0.54 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( -7.169 2.126 0.000) 7.477 1.330 ( -10.309 -1.581 0.000) 10.430 1.386 ( 0.858 15.017 0.000) 15.042 1.455 ( -4.746 2.356 0.000) 5.298 1.497 ( -6.281 -0.620 0.000) 6.312 1.506 ( -2.849 -5.763 0.000) 6.429 1.621 ( -3.597 -9.038 0.000) 9.728 1.642 ( 1.000 -0.176 0.000) 1.015 1.677 ( -0.475 -2.742 0.000) 2.783 1.764 ( 0.177 -2.394 0.000) 2.400 2.019 ( -3.264 2.291 0.000) 3.988 2.026 ( -22.569 0.631 0.000) 22.577 2.126 ( -18.859 -2.616 0.000) 19.040 2.132 ( -5.196 1.588 0.000) 5.433 2.268 ( -13.193 2.540 0.000) 13.435 2.480 ( -6.722 -2.326 0.000) 7.113 2.592 ( -3.831 0.492 0.000) 3.862 2.709 ( -6.397 4.780 0.000) 7.986 2.780 ( 4.141 0.364 0.000) 4.157 2.848 ( -9.920 -0.303 0.000) 9.924 2.851 ( -1.062 -0.299 0.000) 1.103 3.012 ( -4.829 -4.466 0.000) 6.578 3.065 ( 2.131 0.188 0.000) 2.139 3.078 ( 4.856 0.813 0.000) 4.924 3.244 ( 0.725 1.210 0.000) 1.410 3.470 ( 2.129 -0.142 0.000) 2.134 4.015 ( -11.215 -0.114 0.000) 11.215 4.100 ( -9.827 0.759 0.000) 9.856 4.183 ( -3.544 -1.859 0.000) 4.002 4.203 ( -3.555 -0.377 0.000) 3.575 4.477 ( -13.599 0.390 0.000) 13.605 4.538 ( -14.658 -0.119 0.000) 14.659 4.566 ( 2.857 0.589 0.000) 2.917 4.654 ( 2.782 0.282 0.000) 2.797 4.738 ( 1.549 -0.859 0.000) 1.771 4.747 ( 8.584 -0.751 0.000) 8.617 4.963 ( 7.257 3.084 0.000) 7.885 4.976 ( -1.363 -0.096 0.000) 1.366 4.984 ( 4.121 -0.733 0.000) 4.185 5.137 ( 11.026 -2.610 0.000) 11.331 5.380 ( 3.450 -0.646 0.000) 3.510 5.458 ( 0.862 1.539 0.000) 1.764 5.480 ( -1.378 -1.414 0.000) 1.975 5.598 ( 1.659 -0.038 0.000) 1.660 5.620 ( -0.054 0.096 0.000) 0.110 5.707 ( 3.227 -0.452 0.000) 3.259 6.062 ( 6.834 -0.172 0.000) 6.836 6.069 ( 4.826 0.617 0.000) 4.865======================= Grid point 74 (46/98) =======================q-point: (-0.46 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.911 ( -4.179 5.722 0.000) 7.086 1.181 ( -6.688 -5.655 0.000) 8.758 1.324 ( 1.075 17.683 0.000) 17.716 1.369 ( -2.779 3.895 0.000) 4.785 1.407 ( -2.083 1.690 0.000) 2.682 1.496 ( 0.409 -4.630 0.000) 4.648 1.577 ( -12.157 -2.333 0.000) 12.379 1.633 ( -3.580 0.820 0.000) 3.673 1.681 ( -6.816 -4.223 0.000) 8.019 1.707 ( 1.018 -2.033 0.000) 2.273 1.746 ( -13.081 -0.382 0.000) 13.086 1.764 ( -2.873 -2.833 0.000) 4.035 1.886 ( -15.452 -1.665 0.000) 15.541 1.999 ( -2.829 -3.261 0.000) 4.317 2.133 ( -4.284 7.503 0.000) 8.640 2.417 ( 1.962 -0.688 0.000) 2.079 2.533 ( -1.980 0.667 0.000) 2.089 2.575 ( -3.959 1.309 0.000) 4.170 2.707 ( -9.070 -7.251 0.000) 11.612 2.828 ( -0.060 0.779 0.000) 0.781 2.877 ( 3.828 -0.612 0.000) 3.877 2.980 ( -1.348 -3.974 0.000) 4.196 3.104 ( 2.109 1.139 0.000) 2.397 3.131 ( 2.279 6.144 0.000) 6.553 3.267 ( 2.387 -0.559 0.000) 2.452 3.522 ( 2.934 -1.404 0.000) 3.253 3.764 ( -13.887 -0.160 0.000) 13.887 3.838 ( -16.681 -1.612 0.000) 16.758 4.123 ( -3.221 -0.550 0.000) 3.268 4.143 ( -2.702 0.040 0.000) 2.702 4.279 ( -6.510 -0.109 0.000) 6.511 4.342 ( -6.353 -0.518 0.000) 6.374 4.600 ( 1.256 0.234 0.000) 1.277 4.701 ( 2.049 0.762 0.000) 2.186 4.772 ( 1.179 -1.766 0.000) 2.123 4.884 ( 5.049 -0.726 0.000) 5.101 4.961 ( -0.376 -0.286 0.000) 0.472 5.022 ( 2.766 2.818 0.000) 3.948 5.085 ( 4.880 2.605 0.000) 5.532 5.324 ( 5.696 -2.602 0.000) 6.262 5.387 ( -1.115 -2.953 0.000) 3.156 5.415 ( -2.206 0.076 0.000) 2.208 5.559 ( 4.694 -0.214 0.000) 4.699 5.618 ( 0.600 -0.118 0.000) 0.611 5.625 ( 0.964 0.378 0.000) 1.035 5.767 ( 2.449 -0.369 0.000) 2.476 6.141 ( 3.288 1.889 0.000) 3.792 6.180 ( 5.187 -0.205 0.000) 5.191======================= Grid point 75 (47/98) =======================q-point: (-0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( -0.000 8.883 0.000) 8.883 1.161 ( 0.000 -8.363 0.000) 8.363 1.235 ( -0.000 15.107 0.000) 15.107 1.323 ( -0.000 2.623 0.000) 2.623 1.398 ( -0.000 3.376 0.000) 3.376 1.420 ( -0.000 1.891 0.000) 1.891 1.505 ( -0.000 5.523 0.000) 5.523 1.563 ( 0.000 -1.418 0.000) 1.418 1.588 ( -0.000 6.127 0.000) 6.127 1.699 ( 0.000 -4.523 0.000) 4.523 1.724 ( 0.000 -1.243 0.000) 1.243 1.741 ( 0.000 -7.233 0.000) 7.233 1.753 ( 0.000 -3.010 0.000) 3.010 1.991 ( 0.000 -4.067 0.000) 4.067 2.034 ( -0.000 4.499 0.000) 4.499 2.512 ( -0.000 0.970 0.000) 0.970 2.520 ( 0.000 -1.043 0.000) 1.043 2.546 ( 0.000 -1.138 0.000) 1.138 2.605 ( 0.000 -9.211 0.000) 9.211 2.824 ( -0.000 0.343 0.000) 0.343 2.920 ( 0.000 -0.194 0.000) 0.194 2.993 ( 0.000 -5.120 0.000) 5.120 3.107 ( -0.000 8.509 0.000) 8.509 3.117 ( -0.000 2.025 0.000) 2.025 3.314 ( 0.000 -1.864 0.000) 1.864 3.604 ( 0.000 -2.865 0.000) 2.865 3.608 ( -0.000 0.568 0.000) 0.568 3.611 ( -0.000 0.346 0.000) 0.346 4.090 ( 0.000 -0.143 0.000) 0.143 4.114 ( -0.000 0.317 0.000) 0.317 4.227 ( 0.000 -0.896 0.000) 0.896 4.290 ( 0.000 -1.099 0.000) 1.099 4.611 ( -0.000 0.440 0.000) 0.440 4.715 ( -0.000 1.257 0.000) 1.257 4.795 ( 0.000 -2.506 0.000) 2.506 4.936 ( 0.000 -1.101 0.000) 1.101 4.961 ( 0.000 -0.532 0.000) 0.532 5.031 ( -0.000 4.337 0.000) 4.337 5.120 ( -0.000 2.106 0.000) 2.106 5.345 ( -0.000 0.249 0.000) 0.249 5.380 ( -0.000 0.219 0.000) 0.219 5.446 ( 0.000 -6.062 0.000) 6.062 5.600 ( 0.000 -0.942 0.000) 0.942 5.624 ( 0.000 -0.167 0.000) 0.167 5.643 ( -0.000 0.581 0.000) 0.581 5.792 ( 0.000 -0.338 0.000) 0.338 6.159 ( -0.000 3.129 0.000) 3.129 6.234 ( 0.000 -0.441 0.000) 0.441======================= Grid point 86 (48/98) =======================q-point: (-0.54 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( -3.739 -0.000 0.000) 3.739 1.148 ( -7.593 -0.000 0.000) 7.593 1.390 ( -3.507 -0.000 0.000) 3.507 1.435 ( 0.510 0.000 0.000) 0.510 1.441 ( -3.198 -0.000 0.000) 3.198 1.490 ( 2.968 0.000 0.000) 2.968 1.504 ( -5.704 -0.000 0.000) 5.704 1.636 ( -0.533 -0.000 0.000) 0.533 1.657 ( -13.042 -0.000 0.000) 13.042 1.698 ( 1.800 0.000 0.000) 1.800 1.745 ( -16.583 -0.000 0.000) 16.583 1.748 ( -1.329 -0.000 0.000) 1.329 1.870 ( -16.898 -0.000 0.000) 16.898 1.981 ( -2.249 -0.000 0.000) 2.249 2.186 ( -0.878 -0.000 0.000) 0.878 2.413 ( -0.149 -0.000 0.000) 0.149 2.536 ( -2.132 -0.000 0.000) 2.132 2.600 ( -6.250 -0.000 0.000) 6.250 2.641 ( -9.734 -0.000 0.000) 9.734 2.833 ( -0.613 -0.000 0.000) 0.613 2.874 ( 4.486 0.000 0.000) 4.486 2.960 ( -0.603 -0.000 0.000) 0.603 3.111 ( 2.356 0.000 0.000) 2.356 3.169 ( 4.211 0.000 0.000) 4.211 3.262 ( 0.733 0.000 0.000) 0.733 3.513 ( 2.604 0.000 0.000) 2.604 3.763 ( -13.700 -0.000 0.000) 13.700 3.829 ( -16.517 -0.000 0.000) 16.517 4.120 ( -2.883 -0.000 0.000) 2.883 4.143 ( -2.570 -0.000 0.000) 2.570 4.279 ( -6.811 -0.000 0.000) 6.811 4.339 ( -6.496 -0.000 0.000) 6.496 4.600 ( 0.983 0.000 0.000) 0.983 4.705 ( 2.184 0.000 0.000) 2.184 4.763 ( 1.180 0.000 0.000) 1.180 4.881 ( 5.060 0.000 0.000) 5.060 4.960 ( -0.335 -0.000 0.000) 0.335 5.035 ( 2.745 0.000 0.000) 2.745 5.107 ( 5.320 0.000 0.000) 5.320 5.301 ( 6.848 0.000 0.000) 6.848 5.372 ( -1.969 -0.000 0.000) 1.969 5.417 ( -2.907 -0.000 0.000) 2.907 5.558 ( 4.679 0.000 0.000) 4.679 5.617 ( 0.598 0.000 0.000) 0.598 5.628 ( 1.157 0.000 0.000) 1.157 5.765 ( 2.557 0.000 0.000) 2.557 6.151 ( 3.446 0.000 0.000) 3.446 6.179 ( 5.179 0.000 0.000) 5.179======================= Grid point 88 (49/98) =======================q-point: (-0.46 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.899 ( -0.000 3.526 0.000) 3.526 1.085 ( 0.000 -4.345 0.000) 4.345 1.340 ( -0.000 0.756 0.000) 0.756 1.345 ( -0.000 4.547 0.000) 4.547 1.444 ( -0.000 4.407 0.000) 4.407 1.455 ( -0.000 4.149 0.000) 4.149 1.557 ( -0.000 0.517 0.000) 0.517 1.570 ( -0.000 5.433 0.000) 5.433 1.575 ( 0.000 -4.710 0.000) 4.710 1.647 ( 0.000 -4.724 0.000) 4.724 1.661 ( 0.000 -6.429 0.000) 6.429 1.716 ( 0.000 -0.302 0.000) 0.302 1.732 ( 0.000 -0.848 0.000) 0.848 1.961 ( 0.000 -1.341 0.000) 1.341 2.147 ( -0.000 11.317 0.000) 11.317 2.483 ( 0.000 -10.575 0.000) 10.575 2.513 ( 0.000 -0.240 0.000) 0.240 2.516 ( -0.000 0.085 0.000) 0.085 2.537 ( 0.000 -0.510 0.000) 0.510 2.827 ( -0.000 0.191 0.000) 0.191 2.921 ( -0.000 0.100 0.000) 0.100 2.960 ( 0.000 -1.235 0.000) 1.235 3.133 ( -0.000 0.881 0.000) 0.881 3.195 ( -0.000 6.709 0.000) 6.709 3.283 ( 0.000 -3.624 0.000) 3.624 3.578 ( 0.000 -1.542 0.000) 1.542 3.612 ( -0.000 0.190 0.000) 0.190 3.614 ( -0.000 0.118 0.000) 0.118 4.089 ( -0.000 0.027 0.000) 0.027 4.117 ( -0.000 0.219 0.000) 0.219 4.219 ( 0.000 -0.422 0.000) 0.422 4.281 ( 0.000 -0.466 0.000) 0.466 4.610 ( 0.000 -0.284 0.000) 0.284 4.725 ( -0.000 0.549 0.000) 0.549 4.777 ( 0.000 -0.894 0.000) 0.894 4.927 ( 0.000 -0.517 0.000) 0.517 4.960 ( -0.000 0.076 0.000) 0.076 5.061 ( -0.000 1.249 0.000) 1.249 5.152 ( -0.000 2.790 0.000) 2.790 5.347 ( -0.000 0.089 0.000) 0.089 5.382 ( -0.000 0.079 0.000) 0.079 5.383 ( 0.000 -4.252 0.000) 4.252 5.594 ( 0.000 -0.219 0.000) 0.219 5.622 ( 0.000 -0.061 0.000) 0.061 5.651 ( -0.000 0.459 0.000) 0.459 5.790 ( 0.000 -0.081 0.000) 0.081 6.182 ( -0.000 1.113 0.000) 1.113 6.231 ( 0.000 -0.135 0.000) 0.135======================= Grid point 175 (50/98) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.363 ( 0.000 0.000 15.557) 15.557 0.463 ( 0.000 0.000 19.089) 19.089 0.680 ( 0.000 0.000 -8.571) 8.571 0.865 ( 0.000 0.000 -15.014) 15.014 0.878 ( 0.000 0.000 32.324) 32.324 1.490 ( 0.000 0.000 6.429) 6.429 1.582 ( 0.000 0.000 -24.871) 24.871 1.608 ( 0.000 0.000 -3.544) 3.544 1.756 ( 0.000 0.000 -0.012) 0.012 1.774 ( 0.000 0.000 -1.176) 1.176 1.860 ( 0.000 0.000 1.123) 1.123 1.886 ( 0.000 0.000 -0.945) 0.945 2.028 ( 0.000 0.000 5.909) 5.909 2.155 ( 0.000 0.000 -0.518) 0.518 2.258 ( 0.000 0.000 3.400) 3.400 2.357 ( 0.000 0.000 2.833) 2.833 2.597 ( 0.000 0.000 0.530) 0.530 2.610 ( 0.000 0.000 -0.530) 0.530 2.617 ( 0.000 0.000 -4.335) 4.335 2.738 ( 0.000 0.000 -9.394) 9.394 2.960 ( 0.000 0.000 -0.608) 0.608 2.976 ( 0.000 0.000 -0.256) 0.256 3.218 ( 0.000 0.000 8.763) 8.763 3.317 ( 0.000 0.000 6.215) 6.215 3.392 ( 0.000 0.000 -0.528) 0.528 3.401 ( 0.000 0.000 -5.801) 5.801 3.573 ( 0.000 0.000 0.382) 0.382 3.582 ( 0.000 0.000 -0.377) 0.377 4.134 ( 0.000 0.000 -0.081) 0.081 4.135 ( 0.000 0.000 -0.148) 0.148 4.262 ( 0.000 0.000 1.702) 1.702 4.302 ( 0.000 0.000 -1.474) 1.474 4.577 ( 0.000 0.000 4.138) 4.138 4.631 ( 0.000 0.000 -1.037) 1.037 4.640 ( 0.000 0.000 2.608) 2.608 4.766 ( 0.000 0.000 -6.580) 6.580 5.065 ( 0.000 0.000 0.707) 0.707 5.095 ( 0.000 0.000 -1.766) 1.766 5.185 ( 0.000 0.000 5.733) 5.733 5.309 ( 0.000 0.000 -4.209) 4.209 5.340 ( 0.000 0.000 0.732) 0.732 5.358 ( 0.000 0.000 -0.731) 0.731 5.627 ( 0.000 0.000 -0.034) 0.034 5.631 ( 0.000 0.000 -0.262) 0.262 5.894 ( 0.000 0.000 0.921) 0.921 5.914 ( 0.000 0.000 -0.674) 0.674 6.195 ( 0.000 0.000 4.246) 4.246 6.295 ( 0.000 0.000 -3.575) 3.575======================= Grid point 176 (51/98) =======================q-point: ( 0.08 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.583 ( 18.162 -1.488 8.982) 20.316 0.706 ( 12.429 -3.075 14.059) 19.016 0.817 ( 13.484 -3.561 -5.614) 15.034 1.043 ( 14.163 -2.474 -11.864) 18.640 1.093 ( 22.651 -5.229 22.501) 32.353 1.536 ( 3.447 1.461 0.814) 3.831 1.593 ( 3.749 5.390 -4.079) 7.729 1.675 ( 8.127 -3.859 -14.692) 17.227 1.810 ( 2.919 0.950 0.667) 3.141 1.843 ( 1.611 0.002 -0.825) 1.809 1.880 ( 6.039 0.543 0.092) 6.064 1.902 ( 4.395 -0.992 -0.237) 4.511 2.040 ( 0.996 -1.401 3.580) 3.972 2.142 ( 0.256 2.030 1.626) 2.613 2.267 ( 3.391 3.686 2.462) 5.581 2.356 ( 0.420 -0.391 1.609) 1.708 2.552 ( -3.518 0.601 0.368) 3.588 2.595 ( 0.166 0.113 -6.521) 6.524 2.662 ( 2.857 0.046 -0.814) 2.971 2.713 ( -1.342 -0.196 -6.259) 6.405 2.965 ( 0.880 1.590 0.727) 1.957 2.977 ( 0.281 -0.629 -0.835) 1.083 3.175 ( -3.568 1.894 8.570) 9.474 3.293 ( -0.730 -2.381 6.975) 7.406 3.347 ( -3.084 3.421 -4.782) 6.640 3.391 ( -1.295 -3.424 -1.526) 3.966 3.801 ( 18.268 0.122 2.529) 18.442 3.932 ( 17.379 0.976 -9.115) 19.648 4.168 ( 4.231 0.595 0.329) 4.285 4.216 ( 10.204 1.683 -6.143) 12.029 4.270 ( 0.857 -0.821 1.516) 1.925 4.307 ( 0.763 -1.218 -1.535) 2.103 4.602 ( 1.733 1.368 1.737) 2.810 4.623 ( -1.063 0.211 1.234) 1.642 4.658 ( 1.610 -4.639 0.198) 4.914 4.772 ( 0.550 -0.679 -6.226) 6.287 5.033 ( -2.788 1.849 0.624) 3.403 5.058 ( -3.309 1.136 -1.404) 3.770 5.138 ( -4.539 0.033 5.803) 7.367 5.264 ( -4.729 -0.795 -4.135) 6.332 5.361 ( 2.156 -0.189 1.559) 2.667 5.393 ( 3.131 -0.159 -1.200) 3.357 5.627 ( 0.009 0.084 0.049) 0.097 5.630 ( -0.116 0.019 -0.069) 0.136 5.873 ( -1.480 3.201 1.549) 3.852 5.908 ( -1.307 -1.528 -1.240) 2.362 6.105 ( -9.272 4.158 5.306) 11.463 6.142 ( -9.465 -2.461 1.643) 9.917======================= Grid point 177 (52/98) =======================q-point: ( 0.15 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( 10.762 -2.097 10.765) 15.365 0.949 ( 19.595 0.688 3.532) 19.922 1.119 ( 16.096 -2.842 -1.669) 16.429 1.284 ( 9.865 -2.555 -10.197) 14.416 1.568 ( 11.784 0.452 1.516) 11.890 1.596 ( 7.079 0.105 -1.028) 7.154 1.708 ( 14.051 -2.717 4.977) 15.152 1.805 ( 0.734 2.280 0.588) 2.466 1.861 ( 2.922 -0.019 1.056) 3.107 1.914 ( 8.533 -0.811 -2.594) 8.956 1.991 ( 4.629 1.678 1.906) 5.279 2.031 ( 7.688 -0.411 6.272) 9.930 2.109 ( 7.191 -0.628 -5.187) 8.888 2.221 ( 7.982 -1.509 -1.466) 8.254 2.345 ( 6.695 3.133 0.523) 7.411 2.395 ( 4.817 0.970 -1.184) 5.055 2.510 ( 0.611 0.240 2.705) 2.784 2.622 ( 3.322 1.105 -7.759) 8.512 2.689 ( -1.283 -0.106 -4.904) 5.071 2.707 ( 1.801 -0.240 -4.119) 4.502 2.967 ( 0.471 0.874 1.943) 2.182 3.002 ( 1.762 0.506 -0.811) 2.005 3.082 ( -5.093 0.979 7.665) 9.254 3.222 ( -6.491 1.199 -3.273) 7.368 3.328 ( 1.255 -0.498 5.309) 5.478 3.397 ( 0.195 -2.161 -0.386) 2.204 4.054 ( 7.088 0.375 1.116) 7.185 4.086 ( 4.279 0.550 -1.323) 4.512 4.258 ( 1.193 0.332 0.945) 1.557 4.286 ( 0.767 -0.346 -1.424) 1.654 4.379 ( 12.368 -1.625 2.169) 12.662 4.456 ( 9.516 -0.489 -3.929) 10.307 4.583 ( -2.623 -1.288 1.178) 3.151 4.602 ( -1.684 -0.159 -0.218) 1.705 4.749 ( 5.529 0.010 -2.968) 6.275 4.795 ( 1.396 -0.164 -4.487) 4.702 4.956 ( -3.894 2.807 0.352) 4.813 4.966 ( -5.438 1.818 0.496) 5.756 5.051 ( -4.007 -1.043 4.010) 5.764 5.159 ( -6.316 -1.230 -3.509) 7.329 5.412 ( 2.676 -0.106 1.893) 3.279 5.453 ( 2.820 0.001 -1.662) 3.273 5.623 ( -0.439 0.126 0.777) 0.901 5.627 ( -0.121 -0.035 0.565) 0.579 5.795 ( -3.745 7.028 2.595) 8.376 5.867 ( -3.493 2.577 -2.656) 5.089 5.948 ( -4.719 -1.335 4.417) 6.600 6.011 ( -6.352 -2.886 -0.827) 7.025======================= Grid point 178 (53/98) =======================q-point: ( 0.23 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 10.697 -1.350 6.462) 12.570 1.264 ( 14.095 2.487 -3.399) 14.711 1.416 ( 14.019 -0.349 -0.124) 14.024 1.479 ( 10.589 -2.422 -5.342) 12.105 1.648 ( 3.900 -0.664 0.023) 3.956 1.691 ( 3.372 -0.341 -3.080) 4.580 1.806 ( 0.471 1.182 1.422) 1.908 1.855 ( 1.721 3.104 -2.799) 4.520 1.942 ( 2.885 3.685 4.429) 6.443 1.994 ( 2.773 3.168 0.440) 4.233 2.111 ( 1.697 -1.002 8.206) 8.439 2.199 ( 9.350 -5.663 0.869) 10.965 2.314 ( 8.413 -2.229 4.338) 9.725 2.340 ( 8.998 3.211 -0.035) 9.554 2.460 ( 5.758 3.201 -2.336) 6.989 2.513 ( 5.590 -0.472 -5.709) 8.004 2.629 ( 11.656 0.390 2.635) 11.956 2.667 ( -0.826 0.183 -4.735) 4.810 2.715 ( 5.739 0.283 -5.215) 7.759 2.759 ( 6.662 -1.516 -6.869) 9.688 2.971 ( -1.024 1.359 1.791) 2.471 2.987 ( -1.648 0.171 2.433) 2.943 3.036 ( 0.524 -1.363 1.732) 2.265 3.110 ( -4.624 -2.685 -2.415) 5.867 3.350 ( 0.734 0.079 6.318) 6.361 3.417 ( 0.982 -0.570 0.310) 1.177 4.137 ( 3.537 -0.024 0.528) 3.576 4.151 ( 3.391 0.278 -0.606) 3.456 4.252 ( -1.616 -1.814 1.304) 2.758 4.285 ( -1.294 -1.360 -1.318) 2.294 4.510 ( -3.443 -1.220 1.551) 3.968 4.556 ( -3.054 -1.217 -1.876) 3.785 4.586 ( 5.946 1.019 1.925) 6.333 4.622 ( 5.788 -0.672 -0.423) 5.842 4.810 ( 0.378 0.986 1.810) 2.095 4.834 ( 1.492 1.072 -0.691) 1.963 4.857 ( -1.759 1.206 -1.343) 2.520 4.888 ( -1.695 0.548 -3.462) 3.893 5.017 ( -0.032 -0.303 2.475) 2.494 5.081 ( -1.815 -0.630 -1.363) 2.356 5.440 ( 0.109 0.409 1.652) 1.705 5.482 ( 0.070 0.237 -1.883) 1.899 5.610 ( -1.048 -0.071 2.537) 2.746 5.623 ( -0.633 0.485 1.676) 1.856 5.686 ( -2.889 7.673 1.207) 8.287 5.771 ( -3.830 4.322 -3.971) 7.009 5.904 ( -2.459 -1.828 0.888) 3.190 5.934 ( -3.787 -1.890 -0.804) 4.308======================= Grid point 179 (54/98) =======================q-point: ( 0.31 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( 9.687 -0.791 2.479) 10.030 1.445 ( 7.324 1.378 -7.143) 10.323 1.612 ( 5.989 0.412 1.272) 6.136 1.652 ( 4.531 -1.884 -2.010) 5.303 1.740 ( 4.899 2.110 1.661) 5.587 1.793 ( 7.994 -0.118 -2.107) 8.268 1.800 ( 1.489 -0.582 2.016) 2.572 1.841 ( -1.292 0.678 -2.592) 2.974 1.996 ( 4.085 3.886 2.175) 6.043 2.011 ( 1.824 3.324 1.939) 4.258 2.173 ( 5.914 2.580 3.499) 7.340 2.251 ( 1.292 1.299 -2.589) 3.172 2.323 ( -2.968 8.170 4.191) 9.651 2.458 ( -2.242 4.034 -2.203) 5.114 2.522 ( 4.288 -1.178 7.307) 8.554 2.602 ( 1.524 -1.943 -0.967) 2.652 2.683 ( 2.936 0.964 -8.778) 9.306 2.739 ( 2.158 0.208 -8.982) 9.240 2.871 ( 2.239 -5.436 2.874) 6.544 2.930 ( 4.600 -6.330 -1.685) 8.004 2.994 ( 5.935 -0.676 1.148) 6.083 3.029 ( 6.234 -0.724 -1.250) 6.399 3.082 ( 6.240 -2.714 1.078) 6.889 3.095 ( 1.331 -5.122 0.120) 5.293 3.351 ( -0.383 0.548 6.916) 6.948 3.436 ( 1.116 0.378 -0.773) 1.409 4.204 ( 2.000 -0.614 0.618) 2.181 4.213 ( 3.085 -0.523 -0.156) 3.133 4.234 ( 0.720 -0.860 0.876) 1.422 4.258 ( -1.718 -1.000 -0.879) 2.173 4.443 ( -3.391 0.464 2.165) 4.050 4.507 ( -2.204 -0.286 -2.966) 3.706 4.639 ( 1.544 3.452 1.838) 4.205 4.656 ( -0.246 0.597 1.303) 1.454 4.776 ( -2.984 0.839 -0.535) 3.145 4.801 ( -0.427 0.314 -2.462) 2.518 4.898 ( 3.150 -1.651 1.197) 3.753 4.938 ( 3.403 -1.384 -2.404) 4.390 5.046 ( 2.814 0.296 2.504) 3.778 5.093 ( 2.284 -0.048 -0.413) 2.322 5.415 ( -2.106 1.007 1.526) 2.789 5.454 ( -2.693 0.407 -1.570) 3.143 5.559 ( -3.280 4.185 3.851) 6.565 5.586 ( -1.990 0.728 2.938) 3.623 5.636 ( -0.715 2.474 -0.644) 2.655 5.691 ( -2.575 3.024 -5.444) 6.739 5.849 ( -4.086 -0.597 0.716) 4.191 5.877 ( -3.257 0.010 -1.582) 3.621======================= Grid point 180 (55/98) =======================q-point: ( 0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 7.737 -0.732 -0.364) 7.781 1.546 ( 4.251 -0.160 -4.437) 6.147 1.650 ( -0.489 0.191 0.931) 1.069 1.687 ( -0.887 -0.742 -2.409) 2.672 1.744 ( 0.093 0.290 2.710) 2.727 1.813 ( -1.082 -0.446 -2.897) 3.124 1.891 ( 3.676 4.053 2.538) 6.031 1.933 ( 5.840 2.439 -1.846) 6.593 2.038 ( 3.812 2.678 1.795) 4.993 2.058 ( 3.571 0.482 0.670) 3.665 2.207 ( -0.752 5.367 2.899) 6.146 2.251 ( 0.105 5.232 -1.213) 5.372 2.308 ( 5.084 3.219 2.376) 6.470 2.384 ( -0.477 1.894 0.505) 2.018 2.565 ( 0.801 -1.271 1.005) 1.807 2.617 ( 1.177 0.435 -1.109) 1.674 2.717 ( 1.364 1.691 -2.950) 3.664 2.773 ( 1.169 -0.003 -8.270) 8.353 2.881 ( -2.978 -6.293 1.284) 7.079 2.940 ( -4.885 -8.056 -2.096) 9.652 3.049 ( -1.330 -0.166 0.744) 1.533 3.068 ( 0.709 -2.771 -1.304) 3.143 3.247 ( 5.825 -3.056 4.539) 7.992 3.299 ( 9.694 -2.304 1.837) 10.132 3.342 ( -0.137 0.003 6.186) 6.187 3.479 ( 4.864 -0.855 -3.763) 6.209 4.197 ( -0.710 -0.673 1.390) 1.700 4.226 ( -0.867 -0.534 -0.885) 1.349 4.289 ( 2.547 0.174 0.127) 2.556 4.293 ( 2.734 -0.124 -0.181) 2.743 4.411 ( 1.170 0.444 2.940) 3.195 4.496 ( 1.145 -0.279 -3.872) 4.048 4.623 ( -0.062 4.439 1.948) 4.848 4.660 ( 1.294 1.743 0.242) 2.185 4.744 ( 0.209 0.269 0.483) 0.591 4.795 ( -0.193 0.086 -3.147) 3.154 4.942 ( -0.076 -2.503 2.294) 3.396 4.990 ( 0.848 -1.508 -1.916) 2.582 5.111 ( 4.276 0.397 2.018) 4.745 5.149 ( 3.496 0.076 -0.389) 3.518 5.360 ( -3.080 0.948 1.157) 3.424 5.386 ( -4.082 0.551 -0.757) 4.188 5.482 ( -2.632 3.408 3.773) 5.725 5.530 ( -3.489 0.779 2.581) 4.409 5.606 ( -1.271 1.131 -1.388) 2.195 5.638 ( -2.027 1.620 -4.376) 5.088 5.772 ( -3.961 0.081 0.778) 4.038 5.808 ( -3.729 0.672 -2.261) 4.412======================= Grid point 181 (56/98) =======================q-point: ( 0.46 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( 1.020 -0.003 0.144) 1.030 1.607 ( 2.687 -0.774 -1.272) 3.072 1.639 ( 0.294 0.185 -0.566) 0.664 1.672 ( 0.375 -0.178 -3.398) 3.423 1.754 ( 0.711 -0.340 1.251) 1.478 1.787 ( -2.311 -0.618 -1.448) 2.796 1.879 ( -0.643 3.511 4.044) 5.394 1.980 ( 1.677 2.663 -4.377) 5.391 2.086 ( 1.612 0.615 0.847) 1.922 2.116 ( 1.628 0.528 -1.409) 2.217 2.198 ( 0.469 0.263 0.755) 0.927 2.214 ( -0.783 0.149 -0.611) 1.004 2.348 ( 1.335 1.558 6.948) 7.245 2.437 ( 3.735 2.075 4.404) 6.137 2.581 ( 0.635 -0.789 -4.270) 4.388 2.658 ( 2.435 0.993 -4.047) 4.826 2.728 ( 1.462 2.849 0.352) 3.222 2.782 ( 1.321 2.843 -4.723) 5.669 2.836 ( -5.809 -7.755 -0.418) 9.699 2.880 ( -3.680 -4.475 -2.318) 6.240 3.019 ( -0.966 0.643 1.997) 2.310 3.079 ( -0.390 -1.079 -3.271) 3.466 3.301 ( 1.135 -0.736 4.445) 4.646 3.327 ( -1.266 0.295 2.808) 3.095 3.427 ( 3.256 -0.586 7.125) 7.856 3.592 ( 3.783 -1.503 -5.524) 6.862 4.194 ( -0.031 -0.253 1.341) 1.365 4.220 ( -0.083 -0.147 -0.737) 0.757 4.314 ( 0.552 0.322 0.104) 0.647 4.314 ( 0.414 0.477 0.081) 0.636 4.461 ( 2.108 -1.127 1.992) 3.111 4.521 ( 0.332 -0.168 -2.782) 2.806 4.606 ( 0.419 2.560 3.081) 4.028 4.700 ( 3.997 2.552 -3.301) 5.778 4.773 ( 0.183 -1.595 0.339) 1.641 4.801 ( 2.021 -0.179 -0.966) 2.247 4.923 ( -2.158 -1.218 2.495) 3.516 4.975 ( -2.549 -0.400 -1.881) 3.193 5.195 ( 4.491 0.264 1.053) 4.620 5.217 ( 3.511 0.153 -0.374) 3.535 5.295 ( -3.435 0.028 0.918) 3.555 5.306 ( -3.957 0.246 0.186) 3.969 5.437 ( -0.153 1.739 3.442) 3.860 5.463 ( -3.013 0.052 2.557) 3.953 5.584 ( -0.592 0.335 -1.639) 1.775 5.600 ( -1.155 0.552 -2.940) 3.207 5.718 ( -1.486 0.151 0.058) 1.495 5.750 ( -1.729 0.364 -2.430) 3.005======================= Grid point 189 (57/98) =======================q-point: ( 0.08 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.910 ( 11.212 0.000 11.579) 16.118 0.955 ( 20.345 0.000 2.722) 20.526 1.104 ( 17.029 0.000 -1.629) 17.106 1.269 ( 10.173 0.000 -10.619) 14.706 1.569 ( 20.050 0.000 5.567) 20.808 1.593 ( 2.253 0.000 -0.094) 2.255 1.697 ( 11.493 0.000 2.356) 11.732 1.819 ( 1.384 0.000 -0.244) 1.406 1.859 ( 2.242 0.000 1.457) 2.674 1.908 ( 9.849 0.000 -3.504) 10.454 2.008 ( 2.547 0.000 -0.489) 2.594 2.024 ( 6.074 0.000 9.791) 11.523 2.104 ( 10.564 0.000 -8.550) 13.590 2.213 ( 6.559 0.000 -1.136) 6.657 2.365 ( 5.601 0.000 0.613) 5.634 2.400 ( 4.980 0.000 0.089) 4.981 2.511 ( 1.151 0.000 2.899) 3.119 2.628 ( 3.460 0.000 -7.914) 8.637 2.689 ( -1.308 -0.000 -4.659) 4.839 2.706 ( 1.571 0.000 -3.995) 4.293 2.972 ( 0.576 0.000 1.881) 1.967 3.005 ( 1.549 0.000 -1.076) 1.886 3.088 ( -5.715 -0.000 8.031) 9.857 3.228 ( -6.870 -0.000 -2.894) 7.454 3.326 ( 1.169 0.000 4.471) 4.622 3.385 ( 1.037 0.000 -0.080) 1.040 4.056 ( 6.978 0.000 1.133) 7.069 4.089 ( 4.115 0.000 -1.382) 4.341 4.259 ( -0.899 -0.000 1.038) 1.373 4.283 ( 0.968 0.000 -1.176) 1.523 4.371 ( 13.158 0.000 2.168) 13.335 4.454 ( 9.642 0.000 -4.307) 10.560 4.576 ( -2.428 -0.000 1.148) 2.686 4.601 ( -2.342 -0.000 -0.951) 2.528 4.749 ( 6.775 0.000 -3.216) 7.500 4.793 ( 1.792 0.000 -3.997) 4.380 4.974 ( -3.913 -0.000 0.082) 3.914 4.976 ( -6.149 -0.000 0.562) 6.175 5.043 ( -3.927 -0.000 4.112) 5.686 5.152 ( -6.201 -0.000 -3.346) 7.047 5.411 ( 2.801 0.000 1.944) 3.410 5.453 ( 2.905 0.000 -1.631) 3.332 5.624 ( -0.559 -0.000 0.822) 0.994 5.627 ( -0.058 -0.000 0.593) 0.596 5.853 ( -4.063 -0.000 0.296) 4.073 5.860 ( -1.513 -0.000 -0.586) 1.623 5.951 ( -5.501 -0.000 3.512) 6.526 5.986 ( -7.019 -0.000 0.233) 7.023======================= Grid point 190 (58/98) =======================q-point: ( 0.15 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( 11.147 -0.455 7.153) 13.253 1.286 ( 13.988 1.192 -4.781) 14.831 1.414 ( 15.259 -0.064 -0.389) 15.264 1.457 ( 10.945 -1.303 -5.076) 12.135 1.641 ( 3.473 -0.395 0.477) 3.528 1.688 ( 2.729 -0.182 -3.030) 4.082 1.817 ( -0.842 0.602 1.889) 2.153 1.880 ( 0.986 1.282 -3.540) 3.892 1.977 ( 2.210 2.424 5.397) 6.315 2.017 ( 6.060 1.090 0.828) 6.213 2.106 ( 6.146 -0.084 7.058) 9.359 2.143 ( 7.783 -3.617 3.139) 9.139 2.293 ( 7.094 -1.098 3.932) 8.185 2.359 ( 11.820 0.424 -3.581) 12.358 2.485 ( 6.460 1.190 -2.008) 6.869 2.518 ( 5.839 0.851 -4.259) 7.278 2.636 ( 9.657 0.616 3.116) 10.166 2.671 ( 0.617 0.468 -4.785) 4.847 2.712 ( 2.554 -0.745 -6.153) 6.704 2.751 ( 7.400 -0.192 -5.690) 9.337 2.980 ( -3.709 0.274 3.334) 4.995 2.994 ( 0.397 0.845 2.942) 3.087 3.024 ( 0.209 -0.609 -0.535) 0.837 3.084 ( -7.539 -1.663 -2.753) 8.197 3.352 ( 1.117 0.141 6.171) 6.273 3.412 ( 1.587 -0.202 0.646) 1.725 4.137 ( 3.335 0.021 0.584) 3.385 4.153 ( 3.243 0.131 -0.732) 3.327 4.238 ( -1.508 -0.767 1.417) 2.207 4.273 ( -1.312 -0.646 -1.434) 2.048 4.501 ( -3.033 -0.487 1.468) 3.404 4.545 ( -2.495 -0.590 -1.947) 3.219 4.599 ( 6.984 1.150 1.443) 7.224 4.614 ( 5.863 -0.868 0.526) 5.950 4.818 ( -0.551 0.386 1.644) 1.777 4.842 ( 1.926 0.386 -1.599) 2.533 4.866 ( -2.669 0.399 -0.911) 2.848 4.893 ( -3.073 0.359 -3.138) 4.407 5.014 ( 0.413 -0.187 2.388) 2.431 5.076 ( -1.340 -0.280 -1.281) 1.875 5.443 ( 0.258 0.127 1.555) 1.582 5.484 ( 0.099 0.080 -1.854) 1.858 5.609 ( -1.023 -0.030 2.576) 2.772 5.626 ( -0.244 0.087 1.389) 1.413 5.756 ( -3.892 4.664 -0.344) 6.085 5.802 ( -4.762 0.931 -3.294) 5.865 5.889 ( -2.125 -0.567 1.448) 2.633 5.912 ( -2.365 -1.859 -0.280) 3.022======================= Grid point 191 (59/98) =======================q-point: ( 0.23 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( 9.909 -0.412 2.810) 10.308 1.457 ( 6.409 0.837 -8.490) 10.670 1.614 ( 5.218 0.167 0.541) 5.249 1.635 ( 4.673 -1.251 -1.160) 4.975 1.760 ( 7.237 1.335 1.557) 7.522 1.785 ( 7.010 -0.638 -0.483) 7.056 1.793 ( 2.072 -0.808 1.123) 2.492 1.853 ( -1.355 1.149 -3.968) 4.348 2.012 ( 2.105 0.548 5.204) 5.641 2.057 ( 0.081 3.721 0.925) 3.835 2.200 ( 8.281 2.395 1.545) 8.757 2.241 ( 4.007 -1.703 -1.493) 4.603 2.420 ( -0.954 7.841 4.343) 9.014 2.488 ( 4.077 -0.030 4.415) 6.010 2.528 ( -1.395 3.363 3.771) 5.242 2.589 ( 2.792 -0.254 -1.231) 3.062 2.687 ( 3.170 -0.081 -9.023) 9.564 2.745 ( 2.220 0.630 -9.510) 9.786 2.808 ( -0.298 -5.641 1.515) 5.849 2.864 ( -0.183 -5.411 -2.321) 5.890 2.993 ( 5.219 0.393 1.148) 5.358 3.025 ( 8.506 -0.416 -1.001) 8.575 3.049 ( 1.500 -3.117 0.407) 3.483 3.058 ( 4.901 -1.722 -0.133) 5.196 3.357 ( -0.360 0.519 7.240) 7.268 3.439 ( 1.281 0.153 -0.267) 1.317 4.200 ( 1.062 -0.224 0.762) 1.326 4.207 ( 2.890 -0.551 0.217) 2.950 4.229 ( 2.159 -0.209 0.316) 2.192 4.248 ( -1.342 -0.757 -0.962) 1.817 4.446 ( -2.537 0.224 1.984) 3.228 4.504 ( -1.560 -0.150 -2.617) 3.051 4.659 ( -0.034 0.207 2.464) 2.473 4.671 ( 1.856 2.135 1.181) 3.065 4.783 ( -3.314 0.440 -0.512) 3.382 4.800 ( -0.199 -0.478 -1.668) 1.746 4.886 ( 2.159 -0.602 0.520) 2.301 4.927 ( 2.999 -0.761 -3.014) 4.319 5.049 ( 2.940 0.189 2.372) 3.782 5.093 ( 2.400 -0.032 -0.291) 2.418 5.422 ( -2.096 0.386 1.280) 2.486 5.457 ( -2.630 0.215 -1.495) 3.032 5.581 ( -2.161 0.516 3.751) 4.360 5.599 ( -2.595 1.050 2.337) 3.647 5.673 ( -2.289 4.002 -1.192) 4.762 5.715 ( -3.697 1.074 -4.477) 5.905 5.841 ( -3.617 -0.854 1.242) 3.918 5.877 ( -2.518 -0.007 -1.757) 3.070======================= Grid point 192 (60/98) =======================q-point: ( 0.31 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 7.712 -0.468 -0.494) 7.742 1.545 ( 3.623 -0.111 -5.150) 6.298 1.651 ( -0.116 -0.040 0.434) 0.451 1.679 ( 0.251 -0.568 -2.239) 2.324 1.748 ( -0.799 0.339 2.568) 2.710 1.805 ( -1.918 -0.805 -2.119) 2.970 1.932 ( 6.051 3.171 1.541) 7.003 1.957 ( 7.079 1.994 -1.390) 7.485 2.046 ( 2.684 -0.164 2.165) 3.452 2.070 ( 2.641 0.486 0.564) 2.744 2.280 ( -4.723 7.980 2.284) 9.550 2.310 ( 2.448 5.366 -0.584) 5.927 2.343 ( 3.620 3.468 3.357) 6.033 2.415 ( -1.889 3.565 1.388) 4.267 2.546 ( 0.367 -2.496 2.052) 3.252 2.616 ( 1.633 -0.447 -0.086) 1.695 2.731 ( 0.489 0.056 -2.535) 2.582 2.755 ( -1.046 -4.305 -9.211) 10.221 2.808 ( -2.259 -5.722 -1.439) 6.318 2.854 ( -2.641 -6.028 -2.634) 7.088 3.049 ( 0.700 -0.378 0.318) 0.856 3.060 ( 1.255 1.066 -0.436) 1.704 3.219 ( 7.235 -1.923 4.035) 8.505 3.272 ( 11.289 -2.725 -0.017) 11.613 3.342 ( -0.583 0.115 7.852) 7.874 3.472 ( 3.103 -0.453 -3.050) 4.374 4.192 ( -0.333 -0.269 1.327) 1.394 4.221 ( -0.545 -0.289 -0.961) 1.142 4.290 ( 3.182 -0.116 0.035) 3.184 4.291 ( 3.067 -0.153 -0.028) 3.071 4.416 ( 0.035 0.554 2.686) 2.743 4.494 ( 0.545 -0.044 -3.516) 3.558 4.661 ( 0.979 1.856 1.996) 2.896 4.679 ( 1.287 2.544 1.365) 3.161 4.747 ( -0.267 0.279 -0.153) 0.415 4.793 ( -0.992 -0.571 -3.070) 3.276 4.918 ( 0.121 -1.841 2.349) 2.987 4.976 ( 1.337 -0.995 -2.691) 3.165 5.115 ( 4.246 0.310 1.870) 4.650 5.150 ( 3.545 0.054 -0.216) 3.552 5.367 ( -3.482 0.429 0.970) 3.640 5.391 ( -4.157 0.344 -0.710) 4.231 5.514 ( -3.421 2.498 3.368) 5.411 5.537 ( -3.614 0.443 2.946) 4.684 5.620 ( -1.966 1.453 -1.415) 2.824 5.652 ( -2.725 0.818 -3.987) 4.898 5.771 ( -3.759 -0.161 0.870) 3.861 5.815 ( -3.644 0.627 -2.511) 4.470======================= Grid point 193 (61/98) =======================q-point: ( 0.38 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( 2.386 -0.418 -0.509) 2.476 1.600 ( 2.141 -0.423 -1.326) 2.553 1.642 ( 0.183 0.504 -0.947) 1.089 1.670 ( 0.047 -0.214 -3.514) 3.521 1.751 ( 0.778 -0.276 1.192) 1.450 1.779 ( -1.578 -0.771 -1.202) 2.128 1.934 ( -2.079 6.438 4.022) 7.870 2.016 ( 0.861 3.652 -2.928) 4.759 2.092 ( 0.710 0.386 0.902) 1.211 2.118 ( 1.507 -0.181 -0.787) 1.710 2.199 ( -0.061 0.389 1.061) 1.132 2.226 ( -3.291 1.895 -1.471) 4.072 2.362 ( -0.440 1.042 7.070) 7.160 2.449 ( 0.768 -0.044 4.635) 4.699 2.571 ( 1.762 -1.285 -3.949) 4.511 2.659 ( 1.157 -0.549 -3.411) 3.643 2.703 ( -5.170 -7.759 -1.841) 9.503 2.734 ( -3.794 -6.855 -3.203) 8.464 2.830 ( 4.968 3.567 -1.520) 6.302 2.863 ( 2.094 0.579 -3.028) 3.727 3.040 ( -0.103 2.774 1.507) 3.159 3.081 ( 1.442 1.359 -2.115) 2.898 3.294 ( 1.470 -0.676 4.916) 5.176 3.327 ( -0.956 -0.262 3.983) 4.104 3.427 ( 4.359 0.563 4.842) 6.540 3.569 ( 4.436 -2.713 -4.962) 7.188 4.195 ( 0.425 0.254 1.303) 1.394 4.220 ( 0.261 0.208 -0.779) 0.847 4.317 ( 0.362 0.368 0.152) 0.538 4.320 ( 0.205 0.594 -0.027) 0.629 4.444 ( 1.641 -1.831 2.332) 3.389 4.514 ( 0.502 -1.023 -3.290) 3.482 4.638 ( -1.475 3.197 2.840) 4.523 4.725 ( 2.080 1.976 -3.646) 4.639 4.755 ( 0.468 -1.583 1.763) 2.415 4.798 ( 2.568 -0.388 -1.120) 2.828 4.910 ( -1.085 -1.142 2.708) 3.133 4.973 ( -1.575 0.119 -2.647) 3.082 5.197 ( 4.363 0.234 0.987) 4.480 5.218 ( 3.443 0.080 -0.251) 3.453 5.294 ( -3.853 -0.082 0.991) 3.980 5.308 ( -4.194 0.161 0.103) 4.198 5.455 ( -1.323 1.388 3.062) 3.613 5.463 ( -3.705 0.046 2.878) 4.692 5.588 ( -0.977 0.364 -1.560) 1.877 5.604 ( -1.753 0.319 -2.710) 3.243 5.719 ( -1.626 0.031 0.018) 1.626 5.755 ( -2.008 0.507 -2.580) 3.308======================= Grid point 194 (62/98) =======================q-point: (-0.54 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( -0.871 -0.274 0.547) 1.065 1.613 ( -2.558 0.391 -1.279) 2.887 1.638 ( 0.186 0.016 -0.213) 0.283 1.677 ( -0.358 0.964 -3.255) 3.413 1.757 ( -0.528 0.116 1.156) 1.276 1.790 ( 2.897 -0.094 -1.290) 3.173 1.861 ( -2.192 0.011 3.417) 4.060 1.963 ( -4.323 -0.589 -4.632) 6.363 2.080 ( -2.339 -0.488 0.778) 2.513 2.109 ( -2.004 -0.698 -1.605) 2.661 2.193 ( -0.884 -0.472 1.483) 1.790 2.219 ( 0.017 0.800 -0.532) 0.961 2.330 ( -2.504 -1.643 6.679) 7.319 2.406 ( -5.329 -3.745 3.943) 7.614 2.590 ( -0.074 0.720 -5.128) 5.179 2.626 ( -4.340 -5.033 -4.546) 8.052 2.691 ( 0.290 -2.600 0.879) 2.760 2.742 ( 0.818 -4.033 -4.601) 6.173 2.899 ( 3.840 3.873 -0.172) 5.457 2.931 ( 5.200 3.018 -1.534) 6.205 3.041 ( 2.943 4.891 2.220) 6.125 3.104 ( 2.317 3.413 -3.035) 5.121 3.308 ( -0.738 0.422 4.202) 4.288 3.322 ( 1.391 -0.441 2.947) 3.288 3.440 ( -2.261 1.898 6.678) 7.302 3.600 ( -2.589 -0.168 -5.513) 6.093 4.200 ( 0.470 0.837 1.237) 1.566 4.224 ( 0.344 0.562 -0.680) 0.947 4.310 ( -0.866 -0.235 0.177) 0.915 4.311 ( -0.812 -0.153 0.070) 0.830 4.464 ( -1.270 -0.784 1.874) 2.396 4.517 ( -0.287 -0.796 -2.197) 2.355 4.586 ( -2.912 -1.075 2.603) 4.051 4.673 ( -4.718 -2.367 -3.212) 6.179 4.788 ( -1.071 1.250 -0.246) 1.664 4.802 ( -1.590 0.064 -0.736) 1.754 4.935 ( 3.461 1.017 2.529) 4.405 4.983 ( 3.210 1.019 -1.512) 3.692 5.192 ( -4.677 -0.244 1.063) 4.802 5.215 ( -3.570 -0.237 -0.500) 3.613 5.293 ( 2.926 -0.176 0.919) 3.072 5.303 ( 3.716 -0.281 0.232) 3.734 5.419 ( -0.906 -1.627 3.729) 4.168 5.462 ( 2.194 -0.128 2.111) 3.047 5.581 ( 0.225 -0.245 -1.804) 1.835 5.593 ( 0.477 -0.649 -2.952) 3.060 5.716 ( 1.321 -0.233 0.241) 1.363 5.747 ( 1.413 -0.107 -2.362) 2.755======================= Grid point 195 (63/98) =======================q-point: (-0.46 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( -7.708 0.916 -0.097) 7.763 1.548 ( -4.816 0.112 -3.400) 5.896 1.647 ( 0.280 -0.339 1.439) 1.505 1.690 ( 1.715 -0.423 -1.736) 2.476 1.745 ( -0.962 0.607 1.814) 2.141 1.810 ( -1.852 -1.235 -2.439) 3.303 1.852 ( -1.094 -3.106 1.652) 3.684 1.905 ( -3.078 -2.618 -1.933) 4.479 2.003 ( -6.277 -2.883 2.401) 7.313 2.053 ( -3.954 -0.956 -1.040) 4.199 2.158 ( -4.449 -4.077 2.921) 6.704 2.206 ( 0.597 -2.877 -0.769) 3.038 2.274 ( -5.663 -2.934 3.414) 7.234 2.379 ( 2.667 0.891 -1.568) 3.220 2.569 ( -1.793 -1.032 0.246) 2.084 2.609 ( 0.575 -0.568 -2.890) 3.001 2.702 ( -0.570 -1.017 -1.938) 2.261 2.767 ( -0.125 -0.893 -6.653) 6.714 2.930 ( 1.442 2.848 2.124) 3.834 2.989 ( 2.267 1.222 -1.477) 2.969 3.082 ( 3.072 5.761 1.188) 6.636 3.113 ( 0.667 5.130 -1.507) 5.388 3.281 ( -3.179 2.995 4.154) 6.027 3.323 ( -8.739 2.427 4.994) 10.354 3.342 ( 0.291 0.162 3.175) 3.193 3.490 ( -6.752 1.053 -4.450) 8.155 4.207 ( 1.062 1.180 1.342) 2.079 4.233 ( 1.164 0.768 -0.747) 1.582 4.287 ( -2.220 -0.208 0.199) 2.238 4.292 ( -1.852 -0.254 -0.220) 1.883 4.408 ( -2.377 0.035 3.139) 3.938 4.500 ( -1.461 0.526 -4.216) 4.493 4.573 ( -0.145 -4.850 2.306) 5.372 4.635 ( -0.704 -2.953 -1.948) 3.607 4.742 ( -0.972 0.025 1.377) 1.686 4.792 ( -0.502 -0.471 -2.504) 2.597 4.970 ( 0.388 2.574 2.155) 3.379 5.008 ( -0.394 1.802 -1.223) 2.213 5.107 ( -4.246 -0.357 2.131) 4.765 5.148 ( -3.394 -0.096 -0.633) 3.454 5.345 ( 2.133 -1.844 1.859) 3.377 5.380 ( 3.965 -0.681 -0.864) 4.115 5.446 ( 1.924 -2.901 3.651) 5.045 5.520 ( 3.266 -1.048 1.675) 3.817 5.595 ( 0.855 -0.965 -1.980) 2.363 5.619 ( 1.357 -1.678 -3.619) 4.214 5.769 ( 4.032 -0.322 0.777) 4.119 5.801 ( 3.795 -0.515 -2.080) 4.358======================= Grid point 196 (64/98) =======================q-point: (-0.38 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( -9.327 1.140 1.993) 9.606 1.429 ( -8.396 -1.459 -5.478) 10.131 1.603 ( -6.704 -1.283 2.160) 7.159 1.670 ( -5.692 1.005 -3.068) 6.543 1.718 ( -3.072 -1.690 1.684) 3.890 1.774 ( -2.389 -2.486 -0.866) 3.555 1.816 ( -2.296 2.155 -0.228) 3.157 1.843 ( -1.781 0.692 -0.785) 2.066 1.935 ( -3.435 -6.175 2.374) 7.454 1.982 ( -5.596 -3.121 -1.106) 6.502 2.130 ( -1.267 -7.025 4.160) 8.262 2.204 ( -2.344 -3.759 3.442) 5.610 2.275 ( 3.813 -2.695 -0.622) 4.711 2.437 ( 2.666 0.669 -4.277) 5.084 2.532 ( -3.699 0.416 4.917) 6.167 2.624 ( 0.231 1.860 -0.626) 1.976 2.669 ( -3.330 -1.287 -7.537) 8.340 2.741 ( -2.451 0.420 -7.769) 8.157 2.916 ( -2.302 2.726 3.290) 4.853 2.984 ( -4.562 2.421 -2.427) 5.706 3.018 ( -8.669 4.921 1.904) 10.149 3.047 ( -7.492 2.724 -0.559) 7.992 3.114 ( -7.164 3.153 2.545) 8.230 3.150 ( -1.952 4.596 0.392) 5.008 3.348 ( 0.605 0.285 5.566) 5.606 3.431 ( -0.801 -0.620 -1.316) 1.661 4.213 ( -2.641 1.060 0.389) 2.873 4.219 ( -3.704 0.606 -0.164) 3.757 4.246 ( 0.759 1.240 1.034) 1.784 4.267 ( 2.121 0.750 -0.651) 2.342 4.436 ( 4.291 -0.678 2.482) 5.003 4.510 ( 2.614 0.235 -3.372) 4.273 4.598 ( -0.359 -4.045 2.127) 4.584 4.645 ( 0.090 -1.465 -0.440) 1.533 4.765 ( 2.726 -1.156 -0.366) 2.983 4.793 ( 0.401 -1.119 -2.322) 2.609 4.920 ( -4.014 2.402 1.533) 4.923 4.955 ( -3.924 1.756 -1.601) 4.587 5.043 ( -2.698 -0.272 2.620) 3.771 5.094 ( -2.163 0.045 -0.574) 2.238 5.397 ( 2.060 -2.514 2.544) 4.127 5.449 ( 2.818 -0.565 -1.725) 3.352 5.505 ( 2.170 -4.925 3.658) 6.508 5.579 ( 2.264 -0.774 2.692) 3.601 5.617 ( 0.557 -1.521 -1.351) 2.109 5.656 ( 1.409 -3.099 -4.920) 5.983 5.853 ( 4.443 0.069 0.446) 4.466 5.877 ( 3.884 -0.080 -1.497) 4.164======================= Grid point 197 (65/98) =======================q-point: (-0.31 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -9.872 2.100 5.259) 11.381 1.238 ( -13.618 -2.157 -1.753) 13.899 1.422 ( -11.986 0.861 0.067) 12.018 1.501 ( -10.215 1.194 -5.622) 11.721 1.650 ( -4.698 -0.459 0.267) 4.728 1.696 ( -4.747 0.427 -3.320) 5.809 1.794 ( -2.359 -1.187 0.434) 2.676 1.823 ( -1.886 -2.118 -2.020) 3.482 1.902 ( -1.709 -3.623 3.886) 5.581 1.951 ( -0.080 -4.690 0.787) 4.756 2.128 ( -1.359 1.951 7.995) 8.341 2.228 ( -1.208 -4.432 -0.484) 4.619 2.286 ( -7.259 -0.737 2.168) 7.611 2.358 ( -13.040 3.593 3.915) 14.081 2.426 ( -5.077 -2.522 -2.572) 6.225 2.531 ( -5.537 2.449 -6.283) 8.725 2.635 ( -11.489 1.591 1.820) 11.741 2.666 ( -0.147 -0.070 -4.090) 4.094 2.712 ( -8.450 0.159 -5.044) 9.842 2.780 ( -7.045 2.200 -6.945) 10.135 2.958 ( -0.251 -0.944 2.139) 2.351 2.988 ( 1.116 0.249 0.972) 1.501 3.050 ( -1.516 1.243 3.420) 3.942 3.135 ( 1.701 1.813 -1.905) 3.132 3.352 ( -0.207 0.367 6.152) 6.166 3.424 ( 0.008 0.811 -0.203) 0.836 4.138 ( -3.891 0.275 0.418) 3.923 4.148 ( -3.599 -0.090 -0.413) 3.624 4.272 ( 1.382 1.743 1.046) 2.458 4.298 ( 0.984 0.901 -1.027) 1.684 4.524 ( 3.729 1.145 1.675) 4.245 4.557 ( 0.708 -1.121 0.909) 1.608 4.591 ( -0.775 2.068 -0.725) 2.324 4.628 ( -4.276 0.329 -1.251) 4.467 4.798 ( -2.330 -1.157 1.744) 3.132 4.820 ( -0.244 -1.493 0.960) 1.792 4.843 ( -1.204 -1.240 -2.109) 2.726 4.882 ( 0.850 -0.528 -3.858) 3.986 5.020 ( 0.421 0.109 2.749) 2.783 5.088 ( 2.278 0.534 -1.381) 2.717 5.433 ( 0.328 -0.923 2.050) 2.272 5.479 ( -0.065 -0.415 -1.867) 1.913 5.589 ( 3.367 -7.343 4.178) 9.095 5.610 ( 1.088 0.068 2.464) 2.695 5.627 ( -0.200 -1.367 -0.184) 1.394 5.718 ( 3.037 -5.141 -4.595) 7.534 5.922 ( 3.377 1.455 0.376) 3.696 5.949 ( 4.448 1.008 -1.032) 4.676======================= Grid point 198 (66/98) =======================q-point: (-0.23 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.944 ( -15.191 0.534 6.946) 16.712 0.958 ( -11.421 4.199 6.481) 13.787 1.162 ( -13.701 4.938 -1.874) 14.683 1.316 ( -8.972 2.803 -9.303) 13.225 1.552 ( -7.129 -2.526 -1.033) 7.633 1.587 ( -8.543 -1.040 -3.443) 9.270 1.751 ( -9.974 3.583 3.922) 11.300 1.777 ( -1.036 -2.381 1.623) 3.062 1.866 ( -7.543 1.620 2.027) 7.977 1.915 ( -4.808 -0.520 0.091) 4.837 1.981 ( -7.403 -0.591 2.876) 7.964 2.034 ( -11.283 0.676 2.144) 11.505 2.112 ( -5.836 0.025 1.891) 6.134 2.234 ( -6.994 0.037 -0.223) 6.997 2.305 ( -7.689 -4.103 -0.194) 8.718 2.385 ( -7.215 -0.396 -3.961) 8.241 2.509 ( 0.224 0.310 1.702) 1.744 2.605 ( -2.920 -1.961 -7.119) 7.941 2.691 ( 1.247 0.117 -5.477) 5.618 2.713 ( -2.297 0.839 -4.731) 5.326 2.952 ( -0.274 -1.898 2.603) 3.233 2.994 ( -2.433 -0.860 -0.065) 2.581 3.071 ( 4.022 -0.874 6.068) 7.332 3.202 ( 4.739 -2.486 -3.828) 6.579 3.338 ( -0.483 1.474 6.707) 6.884 3.425 ( 1.088 2.709 -0.830) 3.035 4.049 ( -7.430 -0.574 1.089) 7.532 4.079 ( -4.732 -0.746 -1.199) 4.938 4.252 ( -4.137 -0.820 0.787) 4.290 4.285 ( -2.343 -0.755 -1.864) 3.087 4.405 ( -10.806 2.950 1.992) 11.377 4.465 ( -9.091 1.223 -2.965) 9.641 4.602 ( 2.930 1.677 1.466) 3.680 4.604 ( 0.394 0.729 1.212) 1.468 4.751 ( -2.646 0.442 -2.731) 3.828 4.792 ( -0.070 -0.771 -4.823) 4.885 4.921 ( 3.832 -3.450 0.855) 5.227 4.946 ( 4.139 -1.456 -0.319) 4.399 5.060 ( 3.982 0.600 4.187) 5.809 5.173 ( 6.457 1.130 -3.833) 7.593 5.414 ( -2.309 0.247 1.741) 2.902 5.453 ( -2.595 -0.103 -1.695) 3.102 5.621 ( 0.313 -0.197 0.653) 0.751 5.627 ( 0.089 -0.123 0.331) 0.364 5.712 ( 4.537 -8.126 4.866) 10.502 5.821 ( 4.738 -5.152 -2.348) 7.383 5.973 ( 3.793 2.746 2.782) 5.447 6.037 ( 5.973 1.885 -1.610) 6.468======================= Grid point 199 (67/98) =======================q-point: (-0.15 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( -13.982 6.422 9.688) 18.182 0.761 ( -8.795 6.897 12.301) 16.620 0.887 ( -11.214 8.984 -5.063) 15.235 1.092 ( -12.786 6.265 -10.526) 17.707 1.193 ( -20.944 12.291 15.484) 28.800 1.487 ( -3.731 -6.698 -5.723) 9.567 1.558 ( -6.352 -0.937 2.567) 6.915 1.697 ( -9.722 -0.127 -7.973) 12.574 1.796 ( -1.202 -1.438 0.794) 2.035 1.845 ( -0.645 0.333 -0.243) 0.766 1.866 ( -3.570 -2.134 0.708) 4.219 1.916 ( -5.102 1.009 -0.625) 5.239 2.068 ( -1.609 2.156 -0.579) 2.752 2.102 ( -2.572 -3.698 6.353) 7.787 2.216 ( -4.277 -4.899 -1.127) 6.600 2.340 ( -1.013 -3.880 -3.088) 5.061 2.546 ( 3.079 -0.369 1.478) 3.435 2.590 ( 0.017 -0.793 -4.362) 4.433 2.663 ( -2.652 0.408 -0.771) 2.791 2.715 ( 1.529 0.235 -6.205) 6.395 2.946 ( -1.772 -1.627 1.925) 3.081 2.976 ( 0.536 -1.116 -1.204) 1.727 3.148 ( 2.857 -2.382 7.134) 8.045 3.300 ( 2.530 -5.295 -4.919) 7.657 3.330 ( 1.582 3.881 7.505) 8.596 3.435 ( 2.136 4.400 -1.598) 5.146 3.799 ( -17.766 -0.318 2.374) 17.927 3.913 ( -17.537 -2.377 -7.646) 19.278 4.159 ( -3.783 -1.043 0.214) 3.930 4.190 ( -7.811 -2.746 -3.648) 9.048 4.284 ( -2.102 1.429 1.478) 2.940 4.324 ( -2.824 1.499 -2.027) 3.786 4.593 ( -1.038 0.280 4.969) 5.084 4.636 ( 1.644 2.173 1.195) 2.975 4.713 ( -0.304 5.068 -3.025) 5.910 4.786 ( -0.145 1.796 -6.800) 7.035 5.001 ( 2.769 -3.550 0.996) 4.611 5.034 ( 3.279 -3.018 -1.136) 4.599 5.138 ( 3.775 0.043 5.884) 6.991 5.277 ( 4.725 1.352 -4.707) 6.805 5.365 ( -2.148 0.543 1.269) 2.553 5.396 ( -3.017 0.399 -1.466) 3.378 5.626 ( 0.039 -0.206 0.099) 0.232 5.629 ( 0.090 -0.089 -0.107) 0.166 5.824 ( 2.871 -5.635 4.488) 7.755 5.915 ( 2.508 -0.758 -2.599) 3.690 6.066 ( 6.751 -2.280 7.212) 10.139 6.158 ( 7.753 0.708 -1.214) 7.879======================= Grid point 200 (68/98) =======================q-point: (-0.08 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.440 ( -0.000 12.227 13.187) 17.984 0.537 ( -0.000 12.670 15.987) 20.398 0.726 ( -0.000 8.181 -7.481) 11.085 0.897 ( -0.000 5.867 -13.989) 15.170 0.929 ( -0.000 9.423 28.140) 29.676 1.488 ( 0.000 -0.427 6.166) 6.181 1.516 ( 0.000 -9.497 -16.025) 18.628 1.602 ( 0.000 -1.014 -3.535) 3.677 1.767 ( 0.000 -0.775 -1.026) 1.285 1.811 ( -0.000 6.770 -5.831) 8.935 1.853 ( 0.000 -1.260 1.268) 1.787 1.881 ( 0.000 -0.906 -0.973) 1.329 2.038 ( -0.000 2.108 4.115) 4.624 2.127 ( 0.000 -5.855 4.168) 7.187 2.209 ( 0.000 -6.403 0.622) 6.434 2.355 ( 0.000 -2.244 -1.749) 2.845 2.593 ( 0.000 -0.684 0.433) 0.809 2.604 ( 0.000 -1.106 -0.440) 1.190 2.618 ( -0.000 0.719 -1.454) 1.622 2.740 ( -0.000 0.198 -8.280) 8.283 2.940 ( 0.000 -2.452 1.868) 3.083 2.988 ( -0.000 0.847 -2.537) 2.675 3.194 ( 0.000 -3.288 7.732) 8.402 3.328 ( -0.000 1.187 7.179) 7.276 3.363 ( 0.000 -2.691 -4.347) 5.112 3.463 ( -0.000 7.758 -3.880) 8.674 3.575 ( -0.000 0.473 0.358) 0.593 3.584 ( -0.000 0.370 -0.356) 0.513 4.129 ( 0.000 -0.835 -0.043) 0.836 4.131 ( 0.000 -0.720 -0.162) 0.738 4.263 ( -0.000 0.149 1.661) 1.668 4.302 ( -0.000 0.027 -1.456) 1.456 4.576 ( -0.000 0.696 5.517) 5.561 4.640 ( -0.000 1.697 0.804) 1.878 4.680 ( -0.000 5.856 -1.684) 6.093 4.775 ( -0.000 1.605 -6.785) 6.972 5.048 ( 0.000 -2.984 0.895) 3.115 5.082 ( 0.000 -2.376 -1.815) 2.989 5.179 ( 0.000 -0.817 6.224) 6.277 5.319 ( -0.000 1.653 -4.986) 5.253 5.341 ( -0.000 0.174 0.728) 0.749 5.359 ( -0.000 0.160 -0.728) 0.745 5.626 ( 0.000 -0.102 -0.008) 0.103 5.630 ( 0.000 -0.033 -0.239) 0.241 5.872 ( 0.000 -3.253 2.838) 4.317 5.930 ( -0.000 1.793 -1.837) 2.567 6.168 ( 0.000 -4.727 6.002) 7.640 6.273 ( 0.000 -3.158 -2.827) 4.238======================= Grid point 203 (69/98) =======================q-point: ( 0.15 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( 9.982 0.000 2.926) 10.402 1.462 ( 6.038 0.000 -9.037) 10.868 1.615 ( 4.770 0.000 0.259) 4.777 1.628 ( 5.052 0.000 -0.721) 5.103 1.767 ( 9.170 0.000 1.258) 9.256 1.781 ( 7.824 0.000 -0.390) 7.834 1.788 ( -0.361 -0.000 1.304) 1.353 1.860 ( -1.111 -0.000 -4.303) 4.444 2.015 ( 1.564 0.000 6.134) 6.330 2.078 ( -1.497 -0.000 0.355) 1.539 2.220 ( 8.583 0.000 0.191) 8.585 2.225 ( 6.389 0.000 0.099) 6.390 2.464 ( 4.601 0.000 8.443) 9.615 2.483 ( 1.736 0.000 2.542) 3.078 2.557 ( -2.570 -0.000 1.767) 3.119 2.591 ( 3.645 0.000 -0.349) 3.661 2.685 ( 3.609 0.000 -8.058) 8.829 2.749 ( 2.742 0.000 -9.507) 9.895 2.772 ( -3.284 -0.000 -0.018) 3.284 2.831 ( -2.846 -0.000 -2.982) 4.122 2.998 ( 4.820 0.000 1.055) 4.934 3.017 ( 9.545 0.000 0.321) 9.550 3.035 ( 3.358 0.000 -0.454) 3.389 3.048 ( 3.166 0.000 -0.621) 3.227 3.360 ( -0.388 -0.000 7.266) 7.276 3.440 ( 1.329 0.000 -0.061) 1.330 4.199 ( -0.142 -0.000 0.823) 0.835 4.203 ( 3.814 0.000 0.376) 3.833 4.228 ( 2.665 0.000 0.059) 2.666 4.243 ( -1.268 -0.000 -0.966) 1.594 4.447 ( -2.188 -0.000 1.924) 2.913 4.503 ( -1.280 -0.000 -2.496) 2.805 4.660 ( -0.382 -0.000 2.771) 2.797 4.683 ( 2.470 0.000 0.931) 2.640 4.785 ( -3.587 -0.000 -0.522) 3.624 4.796 ( -0.063 -0.000 -1.094) 1.096 4.883 ( 1.752 0.000 0.179) 1.761 4.922 ( 2.841 0.000 -3.264) 4.327 5.050 ( 2.993 0.000 2.316) 3.784 5.093 ( 2.447 0.000 -0.245) 2.459 5.424 ( -2.095 -0.000 1.235) 2.432 5.459 ( -2.611 -0.000 -1.472) 2.998 5.583 ( -1.861 -0.000 3.666) 4.111 5.604 ( -2.456 -0.000 2.152) 3.265 5.705 ( -2.915 -0.000 -2.767) 4.019 5.713 ( -4.541 -0.000 -2.866) 5.370 5.835 ( -3.305 -0.000 1.557) 3.653 5.877 ( -2.163 -0.000 -1.860) 2.853======================= Grid point 204 (70/98) =======================q-point: ( 0.23 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.485 ( 7.700 -0.162 -0.525) 7.720 1.544 ( 3.253 -0.034 -5.511) 6.400 1.650 ( 0.243 -0.115 0.210) 0.341 1.676 ( 0.674 -0.107 -2.276) 2.377 1.750 ( -1.092 0.124 2.369) 2.612 1.799 ( -1.971 -0.355 -1.502) 2.504 1.955 ( 7.654 1.093 0.622) 7.756 1.973 ( 7.791 0.900 -1.381) 7.963 2.048 ( 2.156 0.781 2.570) 3.444 2.064 ( 1.382 -1.185 1.086) 2.120 2.344 ( 2.589 2.817 0.860) 3.921 2.352 ( 3.812 1.482 0.353) 4.105 2.405 ( -4.866 8.318 4.227) 10.523 2.452 ( -5.301 2.595 3.032) 6.635 2.504 ( -1.167 -5.571 2.796) 6.341 2.611 ( 1.252 -0.356 0.670) 1.464 2.679 ( -4.636 -5.031 -3.524) 7.695 2.731 ( -3.361 -1.422 -6.314) 7.293 2.771 ( 3.250 -1.360 -4.848) 5.993 2.824 ( 1.989 -0.672 -4.858) 5.292 3.049 ( 1.521 0.184 1.188) 1.939 3.070 ( 1.819 0.438 -0.529) 1.944 3.208 ( 7.599 -0.308 2.953) 8.158 3.246 ( 12.306 -1.600 -0.455) 12.418 3.343 ( -0.902 0.068 8.489) 8.537 3.469 ( 2.212 -0.136 -2.619) 3.431 4.191 ( -0.075 -0.057 1.253) 1.257 4.219 ( -0.322 -0.091 -0.987) 1.042 4.287 ( 3.718 -0.153 0.165) 3.725 4.290 ( 2.982 -0.006 -0.108) 2.984 4.421 ( -0.599 0.242 2.526) 2.607 4.494 ( 0.104 0.017 -3.298) 3.300 4.669 ( 2.236 0.194 2.919) 3.682 4.707 ( 1.094 1.796 0.481) 2.158 4.749 ( -0.438 0.105 -0.301) 0.542 4.784 ( -1.768 -0.726 -2.276) 2.972 4.904 ( 0.158 -0.655 2.197) 2.297 4.969 ( 1.657 -0.350 -3.245) 3.660 5.117 ( 4.216 0.117 1.774) 4.575 5.150 ( 3.565 0.019 -0.123) 3.567 5.370 ( -3.634 0.125 0.944) 3.756 5.394 ( -4.194 0.115 -0.690) 4.252 5.533 ( -3.513 0.965 3.303) 4.918 5.540 ( -3.846 0.018 2.740) 4.722 5.635 ( -3.057 1.029 -2.120) 3.860 5.655 ( -2.826 -0.074 -2.914) 4.060 5.769 ( -3.526 -0.123 0.961) 3.657 5.820 ( -3.603 0.262 -2.701) 4.511======================= Grid point 205 (71/98) =======================q-point: ( 0.31 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( 2.941 -0.198 -0.880) 3.076 1.596 ( 2.265 -0.287 -1.526) 2.746 1.649 ( 0.359 0.607 -1.631) 1.777 1.666 ( -0.693 -0.468 -3.123) 3.233 1.749 ( 0.729 -0.119 1.125) 1.346 1.772 ( -1.061 -0.422 -0.843) 1.420 2.007 ( -0.933 6.427 3.013) 7.159 2.054 ( 1.711 3.186 -1.391) 3.874 2.093 ( -0.120 -0.313 1.109) 1.158 2.109 ( 1.456 -1.431 0.346) 2.071 2.212 ( -3.084 2.014 1.321) 3.913 2.250 ( -6.605 2.311 -1.924) 7.257 2.370 ( -2.071 0.440 7.215) 7.519 2.428 ( -3.524 -3.913 5.146) 7.363 2.551 ( 3.815 -1.991 -3.322) 5.436 2.620 ( -4.664 -5.602 -4.962) 8.818 2.653 ( 0.501 -0.489 -2.108) 2.221 2.679 ( -1.850 -3.451 -4.743) 6.151 2.860 ( 5.974 1.813 -1.867) 6.516 2.872 ( 3.355 0.736 -2.509) 4.253 3.069 ( 1.481 2.186 1.622) 3.099 3.101 ( 2.455 1.862 -1.014) 3.244 3.288 ( 1.608 -0.416 5.336) 5.588 3.323 ( -0.578 -0.471 5.271) 5.323 3.438 ( 6.162 1.361 1.704) 6.536 3.538 ( 3.972 -2.796 -3.947) 6.259 4.198 ( 0.815 0.346 1.199) 1.490 4.223 ( 0.589 0.256 -0.794) 1.021 4.321 ( 0.309 0.267 0.211) 0.460 4.326 ( 0.350 0.486 -0.177) 0.624 4.426 ( 0.665 -1.402 2.631) 3.055 4.502 ( 0.275 -0.922 -3.544) 3.672 4.672 ( -2.687 3.081 2.093) 4.593 4.727 ( -3.858 -1.773 -1.296) 4.439 4.752 ( 5.156 1.139 0.763) 5.335 4.793 ( 3.258 -0.552 -1.242) 3.530 4.900 ( -0.344 -0.698 2.961) 3.062 4.976 ( -0.727 0.212 -3.365) 3.449 5.199 ( 4.302 0.141 0.913) 4.400 5.219 ( 3.382 0.034 -0.160) 3.386 5.293 ( -4.156 -0.085 1.076) 4.294 5.310 ( -4.369 0.072 0.027) 4.370 5.462 ( -4.004 0.033 3.167) 5.105 5.468 ( -2.385 0.757 2.599) 3.608 5.591 ( -1.333 0.274 -1.561) 2.071 5.606 ( -2.100 0.094 -2.409) 3.197 5.719 ( -1.687 -0.015 0.079) 1.689 5.759 ( -2.215 0.358 -2.732) 3.536======================= Grid point 206 (72/98) =======================q-point: (-0.62 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( -1.175 -0.271 0.763) 1.427 1.615 ( -2.904 -0.057 -1.378) 3.215 1.639 ( 1.260 0.104 0.120) 1.270 1.690 ( 0.539 1.127 -3.530) 3.744 1.758 ( -0.520 0.107 0.603) 0.803 1.787 ( 3.096 -0.476 -1.299) 3.391 1.875 ( -6.250 2.340 3.277) 7.435 1.965 ( -7.741 0.624 -3.221) 8.407 2.077 ( -2.562 -0.093 0.497) 2.611 2.101 ( -2.313 -0.628 -1.458) 2.805 2.187 ( -1.352 -0.666 2.473) 2.896 2.230 ( -0.206 1.263 -0.539) 1.389 2.314 ( -2.435 -1.184 6.051) 6.629 2.357 ( -4.928 -5.086 3.098) 7.730 2.566 ( -3.337 -4.482 -4.174) 6.974 2.600 ( 0.598 0.486 -7.505) 7.545 2.666 ( 1.424 -2.317 0.186) 2.726 2.708 ( 2.028 -2.036 -3.178) 4.284 2.927 ( 2.906 1.650 0.034) 3.342 2.945 ( 3.190 0.350 -0.902) 3.334 3.102 ( 4.486 5.466 1.828) 7.304 3.143 ( 3.238 3.205 -1.159) 4.701 3.306 ( 0.130 -0.711 4.388) 4.447 3.322 ( 0.958 0.301 4.085) 4.206 3.469 ( -1.111 3.499 3.486) 5.063 3.588 ( -1.334 -1.982 -4.793) 5.355 4.211 ( 0.862 1.036 1.006) 1.682 4.231 ( 0.483 0.688 -0.618) 1.044 4.309 ( -1.352 0.103 0.213) 1.373 4.311 ( -1.045 0.053 0.098) 1.051 4.446 ( -0.052 -2.143 2.253) 3.110 4.506 ( -0.509 -1.099 -2.442) 2.726 4.581 ( -5.225 0.014 2.071) 5.620 4.651 ( -4.891 -1.622 -2.863) 5.895 4.799 ( -1.748 0.760 -0.432) 1.954 4.803 ( -1.360 0.028 -0.469) 1.439 4.945 ( 4.650 0.710 2.739) 5.443 4.995 ( 3.540 1.111 -1.584) 4.034 5.190 ( -4.877 -0.180 1.013) 4.984 5.212 ( -3.629 -0.262 -0.594) 3.687 5.291 ( 2.370 -0.230 1.008) 2.586 5.300 ( 3.521 -0.226 0.232) 3.536 5.404 ( -1.643 -1.140 3.867) 4.354 5.460 ( 1.481 -0.145 1.663) 2.232 5.579 ( -0.132 -0.103 -2.105) 2.112 5.586 ( -0.026 -0.558 -2.666) 2.723 5.713 ( 1.192 -0.185 0.466) 1.293 5.747 ( 1.119 0.030 -2.360) 2.612======================= Grid point 207 (73/98) =======================q-point: (-0.54 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( -7.395 0.921 0.244) 7.456 1.548 ( -4.949 0.004 -2.240) 5.432 1.641 ( -2.063 -0.920 1.905) 2.955 1.681 ( 1.395 -0.878 -0.500) 1.723 1.754 ( -0.339 0.819 1.210) 1.500 1.790 ( -5.115 -1.973 -1.372) 5.651 1.825 ( -0.680 -1.875 -0.584) 2.078 1.880 ( 0.208 -1.941 -1.942) 2.753 1.983 ( -7.086 -0.847 1.510) 7.294 2.037 ( -5.093 -1.883 -2.044) 5.802 2.119 ( -6.912 -3.082 2.684) 8.030 2.181 ( -2.759 -2.343 -1.338) 3.859 2.255 ( -2.573 -0.127 6.519) 7.009 2.397 ( 5.249 1.976 -3.394) 6.556 2.543 ( -1.554 -3.185 -0.340) 3.560 2.610 ( 1.030 0.591 -5.375) 5.505 2.694 ( 0.286 -0.592 -1.128) 1.305 2.755 ( 1.252 -1.311 -4.606) 4.949 2.946 ( 0.297 0.415 2.066) 2.128 2.995 ( 2.025 0.434 -1.245) 2.417 3.144 ( 2.063 5.020 1.924) 5.758 3.165 ( 0.474 4.087 -0.006) 4.114 3.302 ( -1.580 0.843 4.691) 5.021 3.339 ( -2.078 -0.028 6.308) 6.641 3.368 ( -4.652 5.024 -0.297) 6.854 3.499 ( -7.546 0.464 -4.738) 8.922 4.222 ( 1.293 1.495 1.086) 2.256 4.241 ( 1.266 0.678 -0.532) 1.532 4.285 ( -1.732 -0.056 0.210) 1.745 4.289 ( -1.273 -0.139 -0.001) 1.281 4.411 ( -2.958 0.570 3.155) 4.362 4.506 ( -0.741 0.312 -4.158) 4.235 4.521 ( -1.246 -4.461 2.274) 5.160 4.599 ( -1.041 -3.542 -3.548) 5.120 4.744 ( -1.606 0.325 1.820) 2.449 4.786 ( -1.063 -0.662 -1.646) 2.068 4.996 ( 0.737 2.202 2.140) 3.158 5.027 ( -0.197 1.678 -0.691) 1.826 5.104 ( -4.057 -0.177 2.084) 4.564 5.147 ( -3.225 -0.147 -0.931) 3.359 5.321 ( 0.590 -2.467 3.110) 4.013 5.372 ( 3.799 -0.676 -1.078) 4.006 5.422 ( 1.942 -1.602 2.853) 3.805 5.509 ( 2.844 -1.105 0.342) 3.071 5.585 ( 0.442 -0.930 -2.803) 2.986 5.604 ( 1.178 -1.041 -1.977) 2.526 5.766 ( 4.019 -0.364 0.848) 4.124 5.797 ( 3.793 -0.334 -1.989) 4.296======================= Grid point 208 (74/98) =======================q-point: (-0.46 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.352 ( -8.904 1.429 1.458) 9.136 1.415 ( -9.248 -1.121 -3.838) 10.075 1.584 ( -6.027 -2.044 2.239) 6.747 1.660 ( -7.902 -3.085 -3.712) 9.260 1.712 ( -1.083 0.460 1.815) 2.163 1.755 ( -0.293 -0.753 1.187) 1.435 1.841 ( 0.735 1.646 -1.919) 2.633 1.851 ( -5.793 1.247 -0.183) 5.929 1.871 ( -2.726 -5.513 2.695) 6.715 1.945 ( -7.048 -3.191 -2.937) 8.275 2.037 ( -2.574 -8.660 4.946) 10.300 2.169 ( -0.796 -4.536 -1.961) 5.005 2.264 ( 3.661 1.613 4.877) 6.308 2.465 ( 2.761 3.983 -6.499) 8.108 2.527 ( -2.526 -1.541 3.361) 4.477 2.633 ( 1.452 -0.332 -4.969) 5.187 2.666 ( -3.799 0.900 -2.417) 4.592 2.746 ( -2.499 0.432 -6.117) 6.622 2.934 ( -1.912 0.848 2.848) 3.534 2.995 ( -2.862 0.438 -2.074) 3.562 3.075 ( -9.832 4.193 1.944) 10.864 3.091 ( -7.868 5.398 0.557) 9.558 3.148 ( -9.034 3.172 3.390) 10.157 3.188 ( -3.839 2.585 2.032) 5.055 3.358 ( 0.440 1.443 2.867) 3.239 3.424 ( -0.318 -0.631 -1.654) 1.799 4.227 ( -3.599 1.143 0.082) 3.777 4.227 ( -3.484 1.333 0.089) 3.731 4.259 ( 1.684 1.099 0.811) 2.168 4.273 ( 2.151 0.292 -0.348) 2.198 4.428 ( 4.749 -0.768 2.943) 5.639 4.508 ( 1.562 -0.989 -2.520) 3.126 4.557 ( 1.883 -2.994 0.957) 3.664 4.623 ( 0.714 -2.741 -2.593) 3.841 4.753 ( 2.353 -1.010 0.249) 2.573 4.780 ( 0.101 -1.335 -1.579) 2.070 4.947 ( -4.482 2.459 1.621) 5.363 4.974 ( -4.431 1.677 -0.640) 4.781 5.041 ( -2.730 -0.088 2.571) 3.751 5.094 ( -2.097 0.033 -0.750) 2.228 5.359 ( 1.584 -4.401 4.672) 6.611 5.442 ( 3.007 -0.678 -2.026) 3.689 5.466 ( 1.477 -2.326 2.339) 3.614 5.566 ( 2.331 -1.948 -0.380) 3.061 5.601 ( 0.462 -1.293 -1.855) 2.308 5.632 ( 0.931 -1.425 -1.960) 2.596 5.852 ( 4.711 -0.238 0.446) 4.738 5.876 ( 4.269 -0.128 -1.509) 4.530======================= Grid point 209 (75/98) =======================q-point: (-0.38 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( -9.405 2.029 3.775) 10.335 1.223 ( -11.603 -0.271 -1.071) 11.655 1.435 ( -9.530 1.556 -0.134) 9.657 1.501 ( -9.875 -1.044 -5.206) 11.212 1.642 ( -5.547 -0.659 1.264) 5.727 1.694 ( -6.754 -0.895 -2.749) 7.347 1.775 ( -3.556 -2.097 0.621) 4.175 1.817 ( -2.952 -0.265 -2.041) 3.599 1.868 ( 0.617 -2.244 2.251) 3.238 1.898 ( 0.952 -4.804 0.798) 4.962 2.118 ( 3.418 -9.292 4.901) 11.047 2.158 ( -2.311 -0.255 6.380) 6.791 2.300 ( -3.871 0.951 -2.174) 4.541 2.382 ( -13.874 0.975 0.195) 13.910 2.423 ( -6.270 1.934 0.315) 6.569 2.554 ( -5.562 1.338 -6.936) 8.991 2.655 ( -4.478 1.504 -0.758) 4.784 2.667 ( -3.447 0.396 -3.094) 4.649 2.733 ( -12.914 4.354 -2.704) 13.894 2.806 ( -8.326 2.691 -5.498) 10.334 2.953 ( -1.947 0.167 2.773) 3.392 2.992 ( 0.572 0.494 0.294) 0.811 3.060 ( -2.763 0.461 3.868) 4.776 3.148 ( -0.686 0.494 -1.605) 1.815 3.358 ( 0.119 0.627 5.764) 5.799 3.433 ( 0.909 0.725 -0.646) 1.331 4.144 ( -4.314 0.758 0.307) 4.390 4.151 ( -3.778 0.551 -0.255) 3.826 4.286 ( 0.349 0.549 0.640) 0.913 4.301 ( 0.164 -0.426 -0.625) 0.774 4.529 ( 1.336 -0.557 1.985) 2.457 4.547 ( 4.475 -0.341 1.487) 4.728 4.617 ( 1.688 2.370 -2.066) 3.569 4.629 ( -1.097 0.027 -1.345) 1.736 4.784 ( -2.455 -1.603 1.212) 3.173 4.809 ( -2.129 -0.285 2.177) 3.058 4.832 ( -3.665 -0.846 -2.392) 4.457 4.876 ( 0.375 -0.656 -3.902) 3.974 5.020 ( 0.591 -0.141 3.149) 3.208 5.091 ( 2.301 0.098 -1.120) 2.561 5.416 ( 1.602 -2.565 3.669) 4.754 5.473 ( -0.187 -0.756 -1.374) 1.580 5.516 ( 2.344 -5.158 2.981) 6.402 5.611 ( 1.057 0.016 2.273) 2.507 5.615 ( 0.704 -1.461 -1.327) 2.096 5.667 ( 2.218 -4.016 -4.110) 6.160 5.935 ( 4.285 0.897 0.096) 4.379 5.957 ( 4.760 0.426 -0.999) 4.882======================= Grid point 210 (76/98) =======================q-point: (-0.31 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.956 ( -13.139 1.804 6.076) 14.588 1.018 ( -7.805 6.692 4.208) 11.108 1.222 ( -10.753 6.039 -2.251) 12.537 1.335 ( -7.976 0.611 -7.563) 11.008 1.524 ( -7.520 -2.288 -0.437) 7.872 1.574 ( -7.240 -1.704 -4.159) 8.522 1.743 ( -0.919 -2.653 1.792) 3.331 1.775 ( -3.738 -0.218 -0.570) 3.787 1.879 ( -3.557 -0.728 3.809) 5.262 1.917 ( -4.913 0.103 1.171) 5.052 1.978 ( -13.146 1.413 3.789) 13.754 2.047 ( -15.537 1.038 -1.541) 15.647 2.120 ( -7.821 2.082 6.942) 10.663 2.210 ( -2.200 -4.266 3.345) 5.850 2.261 ( -8.350 -3.890 -0.341) 9.218 2.394 ( -11.108 1.733 -6.510) 12.991 2.522 ( -0.270 2.187 -0.267) 2.220 2.586 ( -2.543 -0.857 -4.800) 5.500 2.692 ( 1.166 0.035 -6.235) 6.344 2.724 ( -2.625 1.202 -5.872) 6.543 2.927 ( -0.758 -2.706 4.226) 5.075 2.986 ( -3.151 -0.745 0.031) 3.238 3.066 ( 3.565 -0.212 3.579) 5.056 3.169 ( 2.002 -3.708 -3.712) 5.616 3.357 ( 0.723 1.926 7.448) 7.727 3.451 ( 1.940 2.072 -1.016) 3.015 4.043 ( -8.028 -0.519 1.119) 8.122 4.072 ( -5.455 -0.478 -1.119) 5.589 4.240 ( -5.541 -1.338 0.560) 5.728 4.269 ( -4.626 -2.183 -1.801) 5.423 4.438 ( -10.537 2.951 1.560) 11.053 4.481 ( -8.807 1.560 -2.039) 9.173 4.605 ( -0.402 0.181 3.000) 3.032 4.629 ( 3.260 2.615 1.146) 4.334 4.757 ( 0.412 0.247 -2.536) 2.581 4.778 ( 1.356 -1.323 -4.060) 4.480 4.886 ( 4.005 -2.952 1.604) 5.228 4.940 ( 3.497 0.470 -2.105) 4.108 5.063 ( 3.780 -0.084 4.466) 5.852 5.180 ( 6.419 0.038 -3.969) 7.547 5.418 ( -1.705 0.449 1.509) 2.321 5.451 ( -2.315 -0.382 -1.493) 2.781 5.612 ( 2.301 -4.838 1.628) 5.599 5.619 ( 0.159 -0.389 0.244) 0.486 5.639 ( 2.936 -2.802 4.824) 6.304 5.765 ( 5.066 -5.232 -2.874) 7.829 6.002 ( 4.060 2.570 1.618) 5.070 6.052 ( 5.885 1.035 -1.596) 6.184======================= Grid point 211 (77/98) =======================q-point: (-0.23 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.709 ( -8.991 8.393 9.221) 15.373 0.855 ( -4.837 10.693 8.099) 14.259 0.997 ( -8.116 10.773 -4.829) 14.327 1.164 ( -9.676 6.345 -9.215) 14.792 1.328 ( -15.773 10.827 6.189) 20.108 1.427 ( -5.781 -3.272 -3.546) 7.530 1.558 ( -8.717 0.898 4.061) 9.658 1.683 ( -10.575 -1.892 -4.129) 11.509 1.777 ( 1.290 -2.336 2.182) 3.447 1.834 ( -4.829 -3.418 3.150) 6.703 1.849 ( -2.380 0.106 -0.554) 2.446 1.919 ( -3.885 -0.523 1.266) 4.120 2.011 ( -4.036 -7.588 6.697) 10.895 2.128 ( -3.095 0.263 2.721) 4.129 2.182 ( -4.338 1.774 -9.005) 10.152 2.282 ( -2.560 -6.095 -4.887) 8.221 2.542 ( 2.481 -0.455 1.710) 3.047 2.579 ( 0.021 -1.229 -2.895) 3.145 2.672 ( -2.048 1.206 -1.326) 2.721 2.716 ( 1.448 -0.071 -6.437) 6.598 2.930 ( -2.460 -1.584 1.945) 3.514 2.951 ( 0.816 -3.338 -0.036) 3.436 3.132 ( 2.814 -0.623 4.291) 5.169 3.235 ( 1.561 -6.588 -3.616) 7.676 3.370 ( 2.188 3.440 7.745) 8.752 3.480 ( 2.755 3.706 -1.875) 4.984 3.795 ( -16.917 -0.397 2.140) 17.057 3.885 ( -17.375 -2.725 -5.489) 18.424 4.148 ( -3.523 -0.838 0.010) 3.622 4.162 ( -5.904 -2.205 -1.664) 6.518 4.296 ( -3.657 0.813 1.478) 4.027 4.335 ( -4.219 0.593 -1.785) 4.620 4.607 ( 0.573 2.047 5.710) 6.093 4.664 ( 1.792 2.894 1.218) 3.615 4.760 ( 0.736 3.625 -3.286) 4.948 4.805 ( 0.947 1.409 -7.110) 7.310 4.965 ( 2.654 -2.837 1.141) 4.049 5.004 ( 2.848 -1.911 -0.859) 3.536 5.138 ( 3.373 -0.232 5.831) 6.740 5.288 ( 4.707 0.621 -5.244) 7.074 5.373 ( -2.144 0.831 0.759) 2.421 5.400 ( -2.781 0.330 -1.867) 3.366 5.623 ( 0.070 -0.276 0.140) 0.317 5.628 ( 0.153 -0.208 -0.162) 0.305 5.756 ( 3.931 -6.661 6.895) 10.362 5.886 ( 4.317 -4.223 -2.243) 6.442 6.064 ( 3.996 1.634 5.295) 6.832 6.162 ( 6.129 0.297 -2.334) 6.565======================= Grid point 212 (78/98) =======================q-point: (-0.15 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.578 ( -0.000 12.130 11.651) 16.819 0.707 ( -0.000 17.954 11.058) 21.086 0.843 ( -0.000 12.689 -7.955) 14.977 0.984 ( -0.000 9.751 -11.432) 15.026 1.069 ( -0.000 15.588 18.760) 24.391 1.416 ( 0.000 -8.189 -8.744) 11.980 1.481 ( 0.000 -0.886 5.427) 5.499 1.586 ( 0.000 -1.953 -3.498) 4.006 1.755 ( 0.000 -1.115 1.168) 1.615 1.833 ( 0.000 -2.285 1.601) 2.790 1.865 ( -0.000 2.013 -3.156) 3.743 1.866 ( 0.000 -1.881 -1.031) 2.145 2.022 ( 0.000 -9.601 5.217) 10.927 2.089 ( -0.000 4.375 3.773) 5.777 2.147 ( 0.000 -4.904 -6.199) 7.904 2.301 ( 0.000 -6.934 -5.832) 9.060 2.582 ( 0.000 -1.322 0.216) 1.340 2.588 ( 0.000 -1.782 -0.230) 1.796 2.637 ( -0.000 2.558 1.627) 3.031 2.739 ( 0.000 -0.423 -7.147) 7.160 2.915 ( 0.000 -2.151 2.992) 3.685 2.983 ( 0.000 -2.095 -2.698) 3.416 3.167 ( 0.000 -1.394 5.566) 5.738 3.289 ( 0.000 -6.702 -3.599) 7.607 3.382 ( -0.000 4.193 8.088) 9.110 3.538 ( -0.000 5.553 -5.438) 7.772 3.582 ( -0.000 0.810 0.294) 0.862 3.590 ( -0.000 0.631 -0.298) 0.698 4.118 ( 0.000 -1.183 0.051) 1.184 4.121 ( 0.000 -0.980 -0.202) 1.000 4.264 ( 0.000 -0.034 1.564) 1.564 4.301 ( 0.000 -0.229 -1.407) 1.425 4.597 ( -0.000 2.985 6.130) 6.818 4.665 ( -0.000 2.782 1.132) 3.004 4.743 ( -0.000 5.247 -3.415) 6.260 4.800 ( -0.000 2.826 -7.572) 8.082 5.010 ( 0.000 -3.615 1.171) 3.800 5.049 ( 0.000 -3.334 -1.369) 3.604 5.172 ( 0.000 -0.383 6.416) 6.428 5.338 ( -0.000 1.744 -6.619) 6.844 5.343 ( -0.000 0.308 0.719) 0.783 5.362 ( -0.000 0.282 -0.719) 0.773 5.625 ( 0.000 -0.183 0.080) 0.200 5.630 ( 0.000 -0.081 -0.200) 0.216 5.826 ( 0.000 -5.310 5.912) 7.946 5.939 ( 0.000 -0.693 -2.994) 3.073 6.118 ( 0.000 -3.171 7.777) 8.399 6.242 ( 0.000 -2.334 -2.977) 3.783======================= Grid point 217 (79/98) =======================q-point: ( 0.23 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.592 ( 2.970 0.000 -0.710) 3.054 1.594 ( 2.478 0.000 -1.899) 3.122 1.653 ( 1.157 0.000 -2.304) 2.578 1.662 ( -1.717 -0.000 -2.547) 3.071 1.748 ( 0.691 0.000 1.099) 1.298 1.770 ( -0.874 -0.000 -0.699) 1.119 2.050 ( 1.908 0.000 1.680) 2.543 2.076 ( 3.345 0.000 -1.167) 3.543 2.088 ( -1.758 -0.000 1.443) 2.275 2.094 ( 0.913 0.000 1.684) 1.915 2.230 ( -7.176 -0.000 1.224) 7.279 2.265 ( -8.143 -0.000 -1.721) 8.323 2.374 ( -2.671 -0.000 7.452) 7.916 2.392 ( -4.571 -0.000 5.395) 7.071 2.540 ( 5.128 0.000 -2.956) 5.919 2.589 ( -3.769 -0.000 -6.160) 7.222 2.654 ( -2.654 -0.000 -3.227) 4.178 2.658 ( 2.093 0.000 -4.189) 4.683 2.869 ( 5.990 0.000 -1.995) 6.314 2.876 ( 3.394 0.000 -2.291) 4.095 3.081 ( 2.271 0.000 1.870) 2.942 3.112 ( 2.731 0.000 -0.646) 2.806 3.285 ( 1.542 0.000 5.455) 5.669 3.320 ( -0.378 -0.000 5.740) 5.752 3.448 ( 7.925 0.000 0.031) 7.925 3.520 ( 2.795 0.000 -3.139) 4.203 4.200 ( 0.976 0.000 1.145) 1.504 4.225 ( 0.730 0.000 -0.795) 1.079 4.322 ( 0.323 0.000 0.240) 0.402 4.329 ( 0.543 0.000 -0.276) 0.610 4.417 ( 0.119 0.000 2.779) 2.782 4.497 ( 0.091 0.000 -3.625) 3.626 4.702 ( -2.364 -0.000 0.472) 2.410 4.703 ( -4.487 -0.000 1.489) 4.728 4.760 ( 4.364 0.000 -0.101) 4.366 4.789 ( 3.770 0.000 -1.360) 4.008 4.896 ( -0.073 -0.000 3.064) 3.065 4.977 ( -0.398 -0.000 -3.649) 3.671 5.200 ( 4.287 0.000 0.882) 4.377 5.219 ( 3.356 0.000 -0.126) 3.358 5.293 ( -4.271 -0.000 1.112) 4.413 5.310 ( -4.435 -0.000 -0.004) 4.435 5.462 ( -4.347 -0.000 3.236) 5.419 5.473 ( -2.539 -0.000 2.438) 3.520 5.593 ( -1.498 -0.000 -1.588) 2.183 5.607 ( -2.194 -0.000 -2.257) 3.148 5.719 ( -1.697 -0.000 0.118) 1.701 5.761 ( -2.294 -0.000 -2.794) 3.615======================= Grid point 218 (80/98) =======================q-point: (-0.69 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.592 ( -1.441 -0.104 0.847) 1.675 1.614 ( -3.279 -0.062 -1.412) 3.570 1.640 ( 1.911 0.054 0.255) 1.929 1.698 ( 1.679 0.364 -3.637) 4.023 1.760 ( -0.511 0.197 -0.410) 0.684 1.782 ( 3.047 -0.320 -1.127) 3.264 1.902 ( -10.620 1.908 2.997) 11.198 1.969 ( -9.852 -0.006 -0.806) 9.885 2.078 ( -2.718 0.218 -0.123) 2.730 2.096 ( -1.990 -0.338 -1.107) 2.303 2.180 ( -1.997 -0.502 2.969) 3.613 2.248 ( 0.654 1.985 -1.014) 2.323 2.304 ( -5.460 -3.166 4.282) 7.627 2.306 ( -0.129 -1.197 4.209) 4.378 2.533 ( -2.388 -1.536 -5.734) 6.399 2.603 ( 1.183 0.018 -9.286) 9.361 2.647 ( 1.790 -0.912 1.540) 2.531 2.695 ( 2.113 -0.503 -2.211) 3.100 2.939 ( 2.259 0.754 -0.273) 2.397 2.945 ( 2.898 -0.288 -0.625) 2.979 3.146 ( 4.783 2.370 1.656) 5.589 3.166 ( 2.923 0.967 0.617) 3.140 3.299 ( 0.416 -0.478 5.221) 5.259 3.325 ( 0.904 0.123 4.615) 4.704 3.512 ( -0.131 4.118 -0.429) 4.142 3.558 ( -0.564 -3.396 -3.148) 4.665 4.220 ( 1.122 0.487 0.792) 1.457 4.237 ( 0.509 0.315 -0.573) 0.828 4.311 ( -1.103 0.110 0.166) 1.121 4.312 ( -1.748 0.163 0.156) 1.763 4.426 ( 0.383 -1.160 2.638) 2.907 4.496 ( -0.438 -0.597 -2.898) 2.992 4.583 ( -6.772 0.162 1.779) 7.003 4.639 ( -4.592 -0.583 -2.495) 5.258 4.803 ( -0.686 0.017 -0.392) 0.790 4.804 ( -2.632 0.243 -0.336) 2.665 4.950 ( 5.325 0.266 2.902) 6.070 5.004 ( 3.713 0.482 -1.762) 4.138 5.188 ( -5.012 -0.068 0.956) 5.102 5.210 ( -3.686 -0.125 -0.632) 3.741 5.289 ( 1.965 -0.107 1.105) 2.258 5.299 ( 3.408 -0.087 0.215) 3.416 5.395 ( -1.980 -0.407 3.903) 4.396 5.459 ( 1.061 -0.065 1.375) 1.738 5.579 ( -0.545 0.069 -2.791) 2.845 5.582 ( -0.089 -0.311 -1.930) 1.957 5.712 ( 1.122 -0.066 0.609) 1.278 5.747 ( 0.939 0.027 -2.372) 2.551======================= Grid point 219 (81/98) =======================q-point: (-0.62 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( -6.615 0.608 0.510) 6.662 1.548 ( -4.691 -0.049 -1.348) 4.881 1.629 ( -6.007 -1.082 2.329) 6.533 1.675 ( 1.364 -0.168 -0.139) 1.381 1.757 ( 0.480 -0.313 3.345) 3.394 1.772 ( -8.642 -1.340 -2.168) 9.010 1.817 ( 0.814 0.405 -2.619) 2.772 1.861 ( 1.510 -1.666 -2.188) 3.137 1.982 ( -6.116 0.333 0.189) 6.128 2.018 ( -6.280 -1.363 -1.743) 6.659 2.094 ( -7.727 -1.571 2.272) 8.206 2.155 ( -6.854 -2.238 -0.943) 7.272 2.268 ( 1.574 2.034 7.611) 8.034 2.409 ( 6.223 -0.000 -2.247) 6.616 2.517 ( -0.374 -1.150 -3.006) 3.240 2.616 ( 0.684 0.271 -8.196) 8.229 2.688 ( 1.230 -0.610 0.046) 1.374 2.742 ( 2.018 -0.936 -2.555) 3.388 2.946 ( -0.231 -0.117 2.080) 2.096 3.000 ( 2.152 0.370 -1.880) 2.882 3.181 ( 0.248 1.930 3.368) 3.890 3.202 ( 0.846 2.825 0.634) 3.016 3.304 ( -1.074 -0.145 5.724) 5.826 3.337 ( -1.260 -0.157 5.654) 5.795 3.426 ( -4.801 5.124 -2.147) 7.343 3.496 ( -7.021 -1.079 -4.445) 8.380 4.237 ( 1.267 1.149 0.520) 1.788 4.246 ( 0.991 0.170 -0.276) 1.042 4.283 ( -0.937 -0.136 0.800) 1.240 4.293 ( -0.949 0.670 -0.070) 1.164 4.420 ( -2.345 1.120 2.961) 3.940 4.475 ( -1.569 -3.687 2.464) 4.703 4.510 ( -0.726 0.031 -3.913) 3.980 4.565 ( -2.432 -2.384 -4.647) 5.761 4.749 ( -1.963 0.406 1.746) 2.658 4.779 ( -1.489 -0.597 -0.878) 1.829 5.015 ( 1.119 1.381 2.270) 2.883 5.042 ( -0.494 0.940 -0.236) 1.087 5.103 ( -3.586 0.097 1.753) 3.993 5.145 ( -3.045 -0.196 -1.206) 3.281 5.297 ( -0.723 -1.770 4.110) 4.533 5.366 ( 3.614 -0.458 -1.333) 3.879 5.411 ( 2.188 -0.633 2.192) 3.161 5.498 ( 2.386 -0.732 -0.817) 2.626 5.577 ( 0.255 -0.574 -2.809) 2.878 5.597 ( 1.214 -0.433 -1.059) 1.668 5.762 ( 3.978 -0.226 0.928) 4.091 5.794 ( 3.757 -0.166 -1.954) 4.238======================= Grid point 220 (82/98) =======================q-point: (-0.54 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.368 ( -8.658 1.477 0.975) 8.837 1.406 ( -9.478 -0.613 -2.584) 9.842 1.563 ( -4.033 -1.711 1.454) 4.616 1.619 ( -7.443 -3.885 -3.084) 8.944 1.720 ( -0.168 0.698 2.093) 2.213 1.755 ( -1.720 0.418 2.891) 3.390 1.817 ( -2.850 -4.155 3.384) 6.069 1.843 ( -1.312 -0.542 -0.526) 1.514 1.866 ( -6.531 -0.237 -2.802) 7.111 1.933 ( -4.019 1.924 -3.739) 5.817 1.959 ( -6.175 -5.605 4.777) 9.611 2.108 ( 0.676 -6.231 -5.186) 8.135 2.301 ( 3.243 4.461 7.597) 9.387 2.493 ( 0.700 -2.358 1.070) 2.682 2.518 ( 0.677 3.161 -6.198) 6.990 2.626 ( -0.068 -0.780 -8.595) 8.630 2.678 ( -2.266 1.157 0.784) 2.663 2.749 ( -2.138 0.139 -4.460) 4.948 2.938 ( -1.143 0.070 2.592) 2.834 2.999 ( -2.711 0.418 -2.441) 3.672 3.112 ( -9.419 2.911 3.465) 10.450 3.139 ( -5.612 2.840 2.547) 6.786 3.182 ( -11.341 3.025 2.736) 12.052 3.209 ( -5.360 1.651 2.437) 6.115 3.374 ( -1.072 1.175 0.699) 1.737 3.420 ( 0.266 -0.084 -1.800) 1.821 4.239 ( -3.173 1.183 0.221) 3.393 4.244 ( -3.385 1.627 -0.101) 3.757 4.269 ( 1.751 0.625 0.417) 1.905 4.274 ( 1.115 0.033 -0.113) 1.122 4.421 ( 4.458 -0.623 3.482) 5.691 4.483 ( 0.434 -3.086 0.897) 3.243 4.542 ( 4.078 -0.242 -2.847) 4.980 4.589 ( 1.942 -3.282 -4.023) 5.544 4.745 ( 1.803 -0.353 0.720) 1.973 4.766 ( -0.096 -1.221 -0.847) 1.490 4.971 ( -4.648 1.950 1.666) 5.309 4.989 ( -4.727 0.988 0.480) 4.852 5.041 ( -3.108 0.193 2.218) 3.823 5.095 ( -2.092 0.019 -0.927) 2.288 5.313 ( 1.069 -3.739 5.993) 7.144 5.435 ( 3.223 -0.657 -2.525) 4.147 5.450 ( 1.439 -0.817 1.435) 2.191 5.542 ( 1.507 -2.085 -4.009) 4.764 5.592 ( 0.889 -0.472 0.109) 1.013 5.622 ( 0.997 -0.553 -0.589) 1.283 5.849 ( 4.867 -0.279 0.576) 4.909 5.874 ( 4.508 -0.102 -1.564) 4.773======================= Grid point 221 (83/98) =======================q-point: (-0.46 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( -10.347 0.824 2.123) 10.594 1.235 ( -7.798 2.096 -2.160) 8.358 1.456 ( -7.033 2.306 -0.576) 7.424 1.486 ( -8.611 -1.219 -3.100) 9.233 1.636 ( -6.308 -0.612 1.686) 6.558 1.680 ( -8.393 -1.472 -1.530) 8.657 1.754 ( -4.875 -2.023 1.700) 5.545 1.789 ( -3.125 -4.144 0.553) 5.220 1.837 ( 0.859 -4.247 1.103) 4.471 1.879 ( 0.642 0.433 -3.050) 3.147 2.014 ( 4.540 -7.390 7.826) 11.682 2.156 ( 0.262 -1.529 1.185) 1.952 2.310 ( -2.979 1.556 -0.077) 3.361 2.392 ( -14.094 0.743 0.316) 14.117 2.449 ( -7.103 2.646 -1.329) 7.695 2.554 ( -7.020 -1.227 -7.688) 10.484 2.664 ( 0.894 0.431 -2.628) 2.810 2.675 ( -4.912 0.910 -2.038) 5.395 2.797 ( -13.295 6.270 -0.361) 14.704 2.839 ( -9.494 3.359 -3.286) 10.593 2.964 ( -4.784 1.961 3.072) 6.014 2.998 ( 0.282 0.674 0.275) 0.781 3.061 ( -3.412 -0.202 3.185) 4.672 3.144 ( -3.115 -1.212 -1.880) 3.835 3.364 ( 0.424 0.606 5.547) 5.596 3.439 ( 1.343 0.302 -0.813) 1.598 4.155 ( -4.751 1.367 0.292) 4.953 4.162 ( -3.891 1.566 -0.232) 4.201 4.282 ( -1.229 -1.182 0.189) 1.715 4.288 ( -1.039 -1.963 -0.283) 2.239 4.520 ( 1.986 -0.721 2.125) 2.997 4.544 ( 6.395 -0.351 0.946) 6.474 4.628 ( 0.859 -0.106 -0.768) 1.157 4.639 ( 4.567 1.413 -2.529) 5.409 4.766 ( -1.435 -1.566 1.237) 2.458 4.814 ( -5.439 1.186 1.916) 5.887 4.824 ( -4.253 -0.505 -2.503) 4.960 4.868 ( -0.444 -0.781 -3.254) 3.376 5.017 ( 0.598 -0.268 3.555) 3.615 5.090 ( 1.791 -0.340 -0.487) 1.887 5.378 ( 3.390 -3.937 6.099) 8.012 5.463 ( -0.284 -0.733 0.054) 0.787 5.485 ( 1.233 -1.256 -0.475) 1.823 5.590 ( 2.055 -3.044 -5.708) 6.787 5.611 ( 1.226 -0.025 2.334) 2.637 5.639 ( 0.777 -1.251 -0.911) 1.732 5.942 ( 5.077 0.354 0.105) 5.091 5.960 ( 4.919 0.285 -0.990) 5.026======================= Grid point 222 (84/98) =======================q-point: (-0.38 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.980 ( -10.552 2.527 4.589) 11.781 1.094 ( -4.965 6.786 -1.082) 8.478 1.287 ( -8.470 5.662 -2.217) 10.426 1.339 ( -6.501 1.390 -3.207) 7.381 1.504 ( -7.717 -1.607 0.086) 7.883 1.549 ( -6.509 -2.897 -3.297) 7.850 1.714 ( -0.990 -2.756 1.799) 3.437 1.759 ( -3.126 -3.018 -1.569) 4.620 1.867 ( -1.907 -1.076 2.733) 3.501 1.895 ( 0.010 -2.797 2.411) 3.693 2.008 ( -17.437 2.623 2.437) 17.801 2.046 ( -18.203 -1.079 -0.309) 18.237 2.129 ( -0.880 -3.549 4.354) 5.685 2.187 ( -4.024 2.536 5.037) 6.927 2.227 ( -11.939 -1.742 1.000) 12.106 2.407 ( -11.587 0.164 -8.170) 14.179 2.553 ( -1.858 3.875 -1.202) 4.463 2.599 ( -3.335 3.057 0.094) 4.525 2.692 ( 0.962 0.027 -7.065) 7.130 2.738 ( -2.766 1.334 -6.884) 7.538 2.899 ( -1.899 -2.385 5.198) 6.026 2.977 ( -4.131 -1.032 -1.075) 4.391 3.066 ( 3.556 0.110 1.476) 3.851 3.124 ( -0.223 -4.446 -2.587) 5.148 3.377 ( 1.505 1.682 7.388) 7.726 3.468 ( 2.304 0.992 -0.943) 2.680 4.038 ( -8.885 -0.278 1.260) 8.978 4.070 ( -6.565 0.072 -1.160) 6.667 4.224 ( -5.429 -1.597 0.230) 5.663 4.241 ( -5.613 -2.934 -1.167) 6.441 4.464 ( -11.565 1.901 1.134) 11.775 4.496 ( -9.319 1.192 -1.576) 9.526 4.608 ( -0.155 0.243 3.507) 3.519 4.656 ( 3.500 2.197 0.761) 4.202 4.740 ( 1.648 -2.439 -1.185) 3.174 4.784 ( 3.157 1.707 -3.774) 5.208 4.860 ( 4.383 -1.798 2.622) 5.415 4.954 ( 4.333 1.893 -3.729) 6.022 5.059 ( 3.457 -0.545 4.576) 5.761 5.172 ( 6.034 -1.549 -3.451) 7.122 5.424 ( -0.756 0.643 1.340) 1.667 5.444 ( -2.064 -0.736 -0.621) 2.278 5.546 ( 4.406 -5.642 4.289) 8.345 5.615 ( 0.406 -0.479 -0.505) 0.806 5.631 ( 0.661 -0.090 1.722) 1.846 5.713 ( 4.998 -4.312 -3.394) 7.423 6.027 ( 4.750 2.109 0.823) 5.262 6.060 ( 5.995 0.562 -1.133) 6.127======================= Grid point 223 (85/98) =======================q-point: (-0.31 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.791 ( -6.366 6.689 7.522) 11.911 0.982 ( -1.418 11.680 -0.120) 11.767 1.106 ( -6.346 9.278 -3.186) 11.684 1.220 ( -5.288 4.726 -5.930) 9.245 1.380 ( -6.824 0.711 0.870) 6.915 1.438 ( -6.621 2.594 -3.350) 7.860 1.580 ( -13.061 2.596 3.454) 13.757 1.667 ( -12.195 -0.599 -3.198) 12.622 1.742 ( 0.509 -3.991 3.927) 5.622 1.795 ( -1.816 -3.872 1.598) 4.565 1.854 ( -5.522 0.526 3.329) 6.469 1.911 ( -8.076 0.430 3.617) 8.859 1.941 ( -3.240 -5.170 6.373) 8.823 2.082 ( -6.425 -5.782 1.110) 8.715 2.217 ( -1.821 -4.131 0.028) 4.515 2.252 ( -1.679 6.535 -10.871) 12.795 2.539 ( 1.048 0.038 1.013) 1.458 2.567 ( -0.522 -0.684 -1.813) 2.007 2.685 ( -1.556 1.097 -3.291) 3.802 2.714 ( 1.124 -0.282 -6.765) 6.863 2.907 ( -2.683 -3.291 0.584) 4.286 2.912 ( -0.251 -3.409 0.754) 3.500 3.130 ( 3.038 -0.156 1.512) 3.397 3.166 ( 1.124 -5.548 -1.069) 5.761 3.402 ( 2.430 2.523 7.760) 8.514 3.511 ( 3.008 1.991 -1.926) 4.089 3.791 ( -15.970 -0.378 1.915) 16.088 3.857 ( -16.864 -2.340 -3.501) 17.382 4.141 ( -3.357 -0.530 -0.202) 3.404 4.143 ( -4.556 -1.379 -0.521) 4.789 4.301 ( -4.893 0.064 1.464) 5.108 4.337 ( -5.161 -0.213 -1.456) 5.366 4.629 ( 1.551 1.837 5.033) 5.578 4.695 ( 1.875 2.719 1.143) 3.495 4.782 ( 1.274 -0.281 -2.577) 2.889 4.820 ( 1.920 2.248 -5.492) 6.237 4.943 ( 3.000 -1.277 1.682) 3.669 5.003 ( 2.408 1.830 -1.541) 3.394 5.133 ( 3.323 -0.737 5.619) 6.569 5.287 ( 4.773 -0.881 -5.660) 7.456 5.382 ( -2.253 0.941 0.175) 2.448 5.401 ( -2.556 -0.162 -1.779) 3.119 5.619 ( 0.373 -0.571 0.118) 0.692 5.624 ( 0.402 -0.374 -0.164) 0.573 5.689 ( 4.082 -5.428 7.411) 10.053 5.834 ( 4.574 -5.148 -2.332) 7.271 6.091 ( 3.400 3.043 3.115) 5.524 6.166 ( 5.262 0.453 -2.124) 5.692======================= Grid point 224 (86/98) =======================q-point: (-0.23 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( -0.000 8.999 10.136) 13.554 0.906 ( -0.000 18.607 7.222) 19.959 0.971 ( -0.000 9.727 -11.353) 14.949 1.098 ( -0.000 11.037 -8.203) 13.752 1.236 ( -0.000 13.556 8.222) 15.854 1.358 ( 0.000 -1.468 -3.516) 3.810 1.469 ( 0.000 -1.225 4.377) 4.546 1.562 ( 0.000 -2.493 -3.420) 4.232 1.748 ( 0.000 -0.214 7.187) 7.190 1.805 ( 0.000 -3.013 1.832) 3.526 1.829 ( 0.000 -7.633 5.255) 9.267 1.840 ( 0.000 -3.096 -1.031) 3.264 1.946 ( 0.000 -3.578 3.054) 4.704 2.048 ( 0.000 -8.955 -1.834) 9.141 2.195 ( -0.000 10.018 -9.806) 14.018 2.227 ( 0.000 -6.021 -3.357) 6.894 2.564 ( 0.000 -2.056 0.249) 2.071 2.570 ( 0.000 -1.550 -0.250) 1.570 2.663 ( -0.000 2.047 0.789) 2.194 2.732 ( 0.000 -0.772 -7.185) 7.226 2.889 ( 0.000 -3.052 2.360) 3.858 2.946 ( 0.000 -4.361 -1.640) 4.659 3.164 ( -0.000 0.422 2.446) 2.482 3.212 ( 0.000 -6.809 -1.245) 6.922 3.426 ( -0.000 3.564 8.451) 9.171 3.580 ( -0.000 2.451 -4.700) 5.301 3.592 ( -0.000 0.920 0.207) 0.943 3.597 ( -0.000 0.714 -0.220) 0.748 4.106 ( 0.000 -0.991 0.186) 1.008 4.112 ( 0.000 -0.714 -0.283) 0.768 4.261 ( 0.000 -0.478 1.449) 1.526 4.296 ( 0.000 -0.696 -1.337) 1.508 4.631 ( -0.000 2.978 5.599) 6.342 4.697 ( -0.000 2.977 1.235) 3.223 4.786 ( -0.000 2.530 -2.827) 3.794 4.827 ( -0.000 2.105 -6.991) 7.301 4.979 ( 0.000 -1.818 1.129) 2.140 5.024 ( 0.000 -0.601 -1.054) 1.213 5.169 ( 0.000 -0.368 6.148) 6.159 5.347 ( -0.000 0.369 0.708) 0.798 5.351 ( -0.000 0.360 -8.078) 8.086 5.365 ( -0.000 0.340 -0.708) 0.785 5.623 ( 0.000 -0.159 0.160) 0.226 5.629 ( 0.000 -0.126 -0.213) 0.247 5.763 ( 0.000 -6.002 7.627) 9.705 5.908 ( 0.000 -4.693 -2.459) 5.298 6.113 ( -0.000 1.804 5.556) 5.841 6.225 ( 0.000 -0.875 -2.969) 3.095======================= Grid point 231 (87/98) =======================q-point: (-0.69 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( -6.063 -0.000 0.601) 6.093 1.548 ( -4.502 -0.000 -1.023) 4.617 1.623 ( -7.851 -0.000 2.496) 8.238 1.675 ( 1.118 0.000 -0.135) 1.126 1.754 ( 0.588 0.000 4.063) 4.105 1.764 ( -9.454 -0.000 -1.881) 9.640 1.823 ( 1.285 0.000 -4.503) 4.683 1.849 ( 1.748 0.000 -1.542) 2.331 1.985 ( -5.130 -0.000 -0.577) 5.163 2.010 ( -7.018 -0.000 -1.349) 7.147 2.085 ( -7.875 -0.000 2.025) 8.131 2.141 ( -8.176 -0.000 -0.398) 8.186 2.283 ( 3.018 0.000 7.695) 8.266 2.405 ( 5.546 0.000 -0.543) 5.573 2.514 ( 0.889 0.000 -5.366) 5.439 2.617 ( 0.490 0.000 -9.713) 9.725 2.684 ( 1.708 0.000 1.035) 1.997 2.737 ( 2.151 0.000 -1.740) 2.767 2.946 ( -0.400 -0.000 2.082) 2.120 3.002 ( 2.219 0.000 -2.188) 3.116 3.191 ( -0.407 -0.000 3.851) 3.872 3.218 ( 1.028 0.000 0.594) 1.187 3.303 ( -0.822 -0.000 6.423) 6.475 3.336 ( -1.220 -0.000 5.609) 5.740 3.467 ( -5.538 -0.000 -3.946) 6.800 3.478 ( -6.046 -0.000 -3.345) 6.910 4.245 ( 0.473 0.000 -0.049) 0.476 4.245 ( 1.454 0.000 -0.029) 1.454 4.283 ( -0.709 -0.000 1.299) 1.480 4.298 ( -0.541 -0.000 -0.133) 0.557 4.433 ( 0.589 0.000 2.594) 2.660 4.448 ( -4.801 -0.000 2.782) 5.549 4.509 ( 0.147 0.000 -3.538) 3.542 4.552 ( -3.474 -0.000 -5.260) 6.304 4.751 ( -2.065 -0.000 1.597) 2.610 4.775 ( -1.668 -0.000 -0.524) 1.749 5.023 ( 1.383 0.000 2.380) 2.752 5.046 ( -0.894 -0.000 -0.001) 0.894 5.104 ( -3.210 -0.000 1.475) 3.532 5.144 ( -2.979 -0.000 -1.321) 3.259 5.287 ( -1.213 -0.000 4.466) 4.628 5.363 ( 3.526 0.000 -1.452) 3.813 5.407 ( 2.282 0.000 1.979) 3.020 5.494 ( 2.194 0.000 -1.247) 2.524 5.574 ( 0.241 0.000 -2.626) 2.637 5.595 ( 1.223 0.000 -0.874) 1.503 5.761 ( 3.957 0.000 0.961) 4.072 5.793 ( 3.738 0.000 -1.945) 4.214======================= Grid point 233 (88/98) =======================q-point: (-0.62 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -9.040 0.808 0.723) 9.105 1.401 ( -8.818 -0.262 -2.065) 9.060 1.550 ( -2.410 -0.605 0.762) 2.599 1.586 ( -6.849 -1.746 -2.400) 7.465 1.725 ( -0.265 0.237 2.358) 2.384 1.762 ( -3.874 0.923 3.665) 5.412 1.783 ( -0.981 -2.215 4.238) 4.881 1.835 ( -2.743 -0.736 -1.898) 3.416 1.858 ( -8.191 -0.457 -0.422) 8.215 1.918 ( -9.683 -1.917 2.781) 10.255 1.978 ( -0.109 5.409 -4.698) 7.165 2.041 ( 0.699 -6.189 -5.491) 8.303 2.347 ( 3.646 3.219 8.161) 9.500 2.458 ( -0.166 -2.790 2.915) 4.039 2.552 ( 1.805 2.102 -8.650) 9.083 2.618 ( -1.038 -0.648 -10.731) 10.801 2.687 ( -1.535 0.454 1.784) 2.397 2.750 ( -1.696 -0.030 -3.293) 3.704 2.937 ( -0.504 -0.075 2.639) 2.688 3.003 ( -2.883 0.226 -2.902) 4.097 3.137 ( -8.940 1.741 4.953) 10.367 3.151 ( -5.879 -0.261 4.199) 7.229 3.207 ( -9.255 1.247 3.834) 10.095 3.225 ( -7.081 0.991 -0.486) 7.167 3.381 ( -2.414 0.227 0.135) 2.429 3.421 ( 0.295 0.216 -1.926) 1.961 4.249 ( -1.158 0.566 0.349) 1.335 4.260 ( -1.910 1.011 -0.383) 2.195 4.270 ( -0.563 -0.212 0.317) 0.680 4.276 ( -0.986 0.211 -0.138) 1.018 4.416 ( 3.566 -0.212 3.911) 5.297 4.456 ( 1.763 -1.562 1.774) 2.949 4.544 ( 3.984 0.582 -4.032) 5.698 4.559 ( 3.100 -2.025 -4.422) 5.767 4.745 ( 1.610 0.241 0.578) 1.727 4.754 ( -0.299 -0.780 -0.228) 0.866 4.987 ( -4.620 0.973 1.613) 4.989 4.995 ( -4.750 0.051 1.428) 4.961 5.044 ( -3.703 0.177 1.820) 4.129 5.095 ( -2.089 0.005 -1.063) 2.344 5.284 ( 0.954 -1.399 6.408) 6.628 5.429 ( 3.375 -0.298 -3.006) 4.529 5.445 ( 1.466 -0.210 1.130) 1.863 5.526 ( 1.038 -0.779 -4.976) 5.142 5.589 ( 1.144 -0.124 0.827) 1.417 5.618 ( 1.060 -0.162 -0.309) 1.116 5.846 ( 4.930 -0.118 0.686) 4.979 5.874 ( 4.635 -0.037 -1.606) 4.906======================= Grid point 234 (89/98) =======================q-point: (-0.54 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( -10.235 0.562 0.899) 10.290 1.256 ( -6.330 1.437 -4.836) 8.094 1.478 ( -5.672 1.074 -0.794) 5.827 1.488 ( -4.690 2.147 -0.441) 5.177 1.626 ( -6.323 -1.385 2.241) 6.850 1.670 ( -9.292 0.078 -0.786) 9.326 1.723 ( -7.015 -3.380 0.585) 7.809 1.744 ( -5.256 -4.525 -0.782) 6.980 1.803 ( 2.111 -1.164 3.314) 4.098 1.855 ( 0.446 -4.134 5.350) 6.775 1.992 ( 4.173 2.179 0.990) 4.810 2.127 ( 2.924 -3.451 -3.376) 5.644 2.337 ( -4.981 3.084 2.415) 6.336 2.393 ( -12.081 -0.723 1.758) 12.230 2.477 ( -7.940 2.394 -4.409) 9.393 2.533 ( -8.678 -2.389 -7.163) 11.504 2.668 ( 0.601 0.310 -2.622) 2.708 2.684 ( -3.567 0.560 -1.587) 3.944 2.846 ( -10.488 2.785 1.106) 10.908 2.875 ( -8.491 2.854 -1.455) 9.075 2.992 ( -4.719 2.034 3.001) 5.950 3.013 ( -4.056 3.092 0.011) 5.100 3.058 ( -3.361 -0.166 1.552) 3.706 3.120 ( -5.694 -3.383 -2.086) 6.944 3.370 ( 0.770 0.394 5.477) 5.544 3.440 ( 1.443 -0.024 -0.746) 1.625 4.172 ( -5.265 1.641 0.490) 5.536 4.184 ( -3.976 2.545 -0.426) 4.740 4.260 ( -2.132 -2.973 0.025) 3.658 4.264 ( -2.189 -2.013 -0.281) 2.987 4.515 ( 3.578 -0.099 1.768) 3.992 4.539 ( 6.660 -0.532 0.697) 6.718 4.627 ( 2.999 -0.094 0.070) 3.002 4.648 ( 5.815 0.445 -2.849) 6.490 4.753 ( -1.294 -0.864 1.302) 2.029 4.820 ( -7.010 -0.232 -1.842) 7.252 4.831 ( -3.248 1.609 0.260) 3.634 4.859 ( -1.857 -0.960 -1.993) 2.888 5.015 ( 0.551 -0.203 3.851) 3.896 5.085 ( 1.075 -0.386 0.239) 1.167 5.343 ( 4.232 -2.304 6.615) 8.184 5.459 ( -0.137 -0.160 0.514) 0.555 5.478 ( 0.915 -0.361 -1.637) 1.910 5.560 ( 2.472 -2.067 -7.591) 8.247 5.610 ( 1.238 -0.033 2.261) 2.579 5.632 ( 0.350 -0.334 0.161) 0.510 5.943 ( 5.544 0.053 0.311) 5.553 5.963 ( 5.087 0.205 -1.097) 5.208======================= Grid point 235 (90/98) =======================q-point: (-0.46 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( -8.980 2.157 2.485) 9.563 1.144 ( -4.756 2.159 -7.860) 9.437 1.348 ( -5.650 6.722 1.346) 8.884 1.380 ( -4.151 5.140 -0.670) 6.641 1.490 ( -8.165 -0.644 0.182) 8.193 1.517 ( -6.526 -2.622 -1.686) 7.233 1.678 ( -1.213 -4.585 1.045) 4.857 1.709 ( -2.509 -5.680 -1.068) 6.300 1.849 ( 0.780 -1.969 3.042) 3.707 1.875 ( -0.447 -1.623 3.468) 3.855 2.025 ( -19.970 0.706 1.432) 20.034 2.037 ( -13.904 0.454 2.566) 14.146 2.090 ( -5.003 -2.632 2.258) 6.087 2.183 ( -1.819 -2.422 -0.274) 3.042 2.255 ( -13.335 4.288 3.031) 14.332 2.395 ( -8.348 -1.936 -7.913) 11.665 2.607 ( -3.367 4.992 -0.700) 6.061 2.639 ( -5.167 4.280 3.443) 7.541 2.695 ( 0.013 0.879 -7.402) 7.454 2.753 ( -2.957 1.397 -6.446) 7.228 2.879 ( -3.290 -1.146 4.077) 5.362 2.958 ( -6.349 -2.889 -2.673) 7.470 3.066 ( 3.287 -0.029 0.074) 3.288 3.080 ( -0.147 -3.365 -0.720) 3.445 3.392 ( 1.846 1.079 6.856) 7.181 3.474 ( 2.305 0.157 -0.749) 2.429 4.037 ( -9.895 -0.035 1.492) 10.007 4.073 ( -8.221 0.528 -1.350) 8.348 4.207 ( -4.584 -1.747 -0.142) 4.908 4.210 ( -4.844 -2.298 -0.352) 5.373 4.479 ( -12.396 0.895 0.860) 12.458 4.505 ( -10.447 0.554 -1.407) 10.555 4.610 ( 0.372 0.128 3.120) 3.144 4.673 ( 3.303 0.818 -0.911) 3.523 4.719 ( 2.120 -1.223 1.599) 2.923 4.803 ( 5.033 1.630 -3.454) 6.318 4.848 ( 4.675 -0.569 3.286) 5.742 4.978 ( 6.106 2.453 -5.126) 8.341 5.053 ( 3.086 -0.605 4.453) 5.452 5.148 ( 4.965 -2.759 -1.794) 5.957 5.427 ( 0.753 -0.326 2.422) 2.557 5.440 ( -1.860 0.387 0.008) 1.899 5.498 ( 3.573 -3.379 2.606) 5.565 5.608 ( 0.962 -0.696 -2.184) 2.486 5.631 ( 0.394 0.072 1.291) 1.352 5.675 ( 4.592 -2.639 -2.939) 6.058 6.047 ( 5.557 1.427 0.320) 5.747 6.065 ( 6.063 0.279 -0.627) 6.102======================= Grid point 236 (91/98) =======================q-point: (-0.38 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.852 ( -5.222 4.655 4.557) 8.349 1.061 ( -2.661 2.106 -10.912) 11.427 1.215 ( -3.206 11.967 3.347) 12.833 1.286 ( -2.404 7.159 -1.962) 7.803 1.375 ( -4.703 -1.378 0.966) 4.995 1.444 ( -3.187 -1.067 -4.261) 5.427 1.597 ( -13.609 0.316 1.911) 13.746 1.666 ( -12.079 -0.302 -3.782) 12.661 1.707 ( -4.099 -1.964 2.957) 5.423 1.746 ( -1.724 -5.210 0.119) 5.489 1.837 ( -4.504 -2.658 4.833) 7.121 1.897 ( -1.055 -3.260 4.470) 5.632 1.956 ( -11.402 5.857 3.899) 13.398 2.022 ( -7.996 -5.023 1.988) 9.650 2.184 ( -2.035 -0.717 4.242) 4.759 2.317 ( 2.155 4.618 -7.111) 8.748 2.545 ( -0.711 1.100 0.108) 1.315 2.568 ( -2.317 0.903 -0.020) 2.487 2.693 ( -1.317 0.356 -6.892) 7.026 2.712 ( 0.390 -0.045 -5.946) 5.959 2.855 ( -4.187 -6.159 0.130) 7.449 2.883 ( -0.552 -1.823 -1.654) 2.523 3.106 ( 1.398 -3.268 2.006) 4.082 3.142 ( 3.428 -0.029 -0.859) 3.534 3.424 ( 2.436 1.621 7.477) 8.029 3.523 ( 2.954 0.289 -1.556) 3.352 3.787 ( -15.184 -0.306 1.742) 15.286 3.836 ( -16.284 -1.641 -2.081) 16.498 4.132 ( -3.617 -0.749 0.055) 3.694 4.138 ( -3.080 -0.200 -0.363) 3.108 4.299 ( -5.793 -0.327 1.362) 5.960 4.332 ( -5.839 -0.584 -1.278) 6.005 4.642 ( 1.693 0.541 3.902) 4.288 4.719 ( 1.888 1.416 -0.169) 2.366 4.768 ( 1.819 -1.244 0.184) 2.212 4.850 ( 1.972 2.698 -4.828) 5.872 4.938 ( 3.670 0.429 3.453) 5.057 5.037 ( 2.672 4.127 -2.185) 5.380 5.122 ( 3.305 -1.100 4.891) 6.005 5.267 ( 4.871 -3.095 -5.831) 8.204 5.391 ( -2.710 0.385 -0.233) 2.748 5.398 ( -2.315 -0.148 -0.729) 2.432 5.605 ( 2.932 -2.109 1.423) 3.882 5.621 ( 0.401 -0.196 -0.292) 0.534 5.649 ( 2.096 -1.968 4.951) 5.725 5.783 ( 4.230 -4.149 -3.031) 6.655 6.124 ( 3.684 2.861 1.791) 4.996 6.171 ( 4.963 0.410 -1.370) 5.165======================= Grid point 237 (92/98) =======================q-point: (-0.31 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.774 ( -0.000 6.346 6.845) 9.334 1.032 ( -0.000 1.764 -13.305) 13.421 1.098 ( -0.000 16.787 4.293) 17.328 1.212 ( -0.000 9.844 -4.798) 10.951 1.318 ( -0.000 2.809 1.898) 3.390 1.394 ( -0.000 4.739 -3.676) 5.997 1.456 ( 0.000 -0.954 3.317) 3.451 1.536 ( 0.000 -2.016 -3.289) 3.857 1.714 ( 0.000 -5.236 10.669) 11.885 1.770 ( 0.000 -3.511 1.552) 3.839 1.798 ( 0.000 -4.698 -0.815) 4.769 1.809 ( -0.000 5.197 8.817) 10.235 1.905 ( 0.000 -5.396 -2.589) 5.985 1.964 ( 0.000 -5.145 2.088) 5.553 2.176 ( 0.000 -3.191 2.912) 4.320 2.306 ( -0.000 9.766 -10.700) 14.486 2.542 ( 0.000 -1.778 0.465) 1.838 2.554 ( 0.000 -1.438 -0.432) 1.502 2.679 ( -0.000 0.812 -2.104) 2.256 2.723 ( 0.000 -0.934 -6.881) 6.944 2.842 ( 0.000 -6.103 0.570) 6.129 2.901 ( 0.000 -3.267 -2.233) 3.958 3.143 ( 0.000 -4.119 2.341) 4.737 3.179 ( -0.000 0.518 -0.136) 0.536 3.455 ( -0.000 2.005 8.392) 8.628 3.593 ( -0.000 0.180 -3.385) 3.390 3.601 ( -0.000 0.792 0.120) 0.801 3.605 ( -0.000 0.616 -0.143) 0.632 4.098 ( 0.000 -0.473 0.331) 0.577 4.107 ( 0.000 -0.192 -0.386) 0.431 4.253 ( 0.000 -0.895 1.344) 1.614 4.287 ( 0.000 -1.079 -1.265) 1.663 4.654 ( -0.000 1.225 4.448) 4.613 4.726 ( -0.000 2.296 0.803) 2.432 4.791 ( 0.000 -1.005 -1.361) 1.692 4.853 ( -0.000 2.820 -4.995) 5.736 4.970 ( -0.000 0.154 2.102) 2.108 5.041 ( -0.000 3.406 -1.484) 3.715 5.163 ( 0.000 -0.843 5.511) 5.575 5.341 ( 0.000 -2.259 -8.486) 8.782 5.351 ( -0.000 0.344 0.696) 0.777 5.369 ( -0.000 0.320 -0.696) 0.767 5.622 ( 0.000 -0.030 0.021) 0.036 5.627 ( 0.000 -0.165 -0.343) 0.380 5.704 ( 0.000 -4.702 7.277) 8.664 5.852 ( 0.000 -5.220 -2.446) 5.764 6.143 ( -0.000 3.293 3.242) 4.621 6.221 ( -0.000 0.041 -2.216) 2.216======================= Grid point 246 (93/98) =======================q-point: (-0.62 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.199 ( -10.034 -0.000 0.421) 10.043 1.264 ( -6.357 -0.000 -6.213) 8.889 1.485 ( -3.825 -0.000 0.349) 3.841 1.506 ( -2.901 -0.000 -0.777) 3.003 1.615 ( -6.055 -0.000 3.042) 6.776 1.687 ( -9.265 -0.000 1.142) 9.335 1.688 ( -8.723 -0.000 -2.686) 9.127 1.712 ( -6.399 -0.000 -0.836) 6.453 1.806 ( 1.116 0.000 5.137) 5.257 1.824 ( 1.768 0.000 8.332) 8.517 2.014 ( 2.782 0.000 -1.566) 3.192 2.101 ( 4.457 0.000 -4.944) 6.657 2.362 ( -6.565 -0.000 2.947) 7.196 2.382 ( -9.933 -0.000 2.280) 10.192 2.496 ( -8.089 -0.000 -6.958) 10.670 2.513 ( -9.912 -0.000 -5.326) 11.253 2.670 ( 0.291 0.000 -2.540) 2.557 2.687 ( -3.161 -0.000 -1.448) 3.477 2.861 ( -9.949 -0.000 1.637) 10.083 2.891 ( -6.998 -0.000 -0.394) 7.009 2.999 ( -1.478 -0.000 3.170) 3.498 3.044 ( -7.011 -0.000 0.478) 7.027 3.073 ( -3.917 -0.000 -1.542) 4.209 3.076 ( -8.275 -0.000 -1.030) 8.339 3.372 ( 0.922 0.000 5.451) 5.528 3.439 ( 1.456 0.000 -0.682) 1.608 4.183 ( -5.736 -0.000 0.776) 5.788 4.207 ( -4.438 -0.000 -1.112) 4.575 4.234 ( -2.098 -0.000 0.696) 2.210 4.251 ( -2.222 -0.000 -0.627) 2.309 4.515 ( 4.060 0.000 1.488) 4.325 4.535 ( 6.802 0.000 0.737) 6.842 4.627 ( 3.582 0.000 0.347) 3.599 4.650 ( 6.429 0.000 -2.889) 7.049 4.748 ( -1.285 -0.000 1.311) 1.836 4.819 ( -6.583 -0.000 -2.035) 6.890 4.846 ( 1.989 0.000 -1.743) 2.645 4.847 ( -8.038 -0.000 0.361) 8.047 5.013 ( 0.528 0.000 3.957) 3.992 5.083 ( 0.739 0.000 0.554) 0.924 5.331 ( 4.487 0.000 6.548) 7.938 5.458 ( -0.053 -0.000 0.663) 0.665 5.476 ( 0.883 0.000 -1.870) 2.068 5.549 ( 2.493 0.000 -8.080) 8.455 5.610 ( 1.247 0.000 2.240) 2.564 5.630 ( 0.292 0.000 0.306) 0.423 5.944 ( 5.681 0.000 0.418) 5.696 5.964 ( 5.175 0.000 -1.155) 5.302======================= Grid point 248 (94/98) =======================q-point: (-0.54 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( -8.278 0.880 0.936) 8.377 1.151 ( -5.880 -0.156 -9.633) 11.287 1.416 ( -4.111 3.775 0.748) 5.631 1.423 ( -3.969 2.065 -0.325) 4.486 1.501 ( -6.298 -0.219 0.298) 6.308 1.511 ( -6.147 5.959 0.400) 8.570 1.604 ( -2.464 -8.693 1.133) 9.106 1.656 ( -1.246 -3.255 -1.871) 3.955 1.837 ( 1.473 0.042 4.927) 5.143 1.853 ( 0.392 -1.871 6.479) 6.755 2.032 ( -20.407 0.438 1.293) 20.452 2.054 ( -9.288 1.946 1.950) 9.688 2.070 ( -13.177 -1.234 -0.326) 13.239 2.158 ( -1.803 -1.696 -1.067) 2.696 2.288 ( -11.881 1.646 1.419) 12.078 2.377 ( -5.457 -1.083 -6.128) 8.276 2.637 ( -2.339 1.079 1.119) 2.809 2.672 ( -1.578 0.958 -2.441) 3.061 2.728 ( -5.173 4.890 -2.839) 7.664 2.761 ( -3.719 -0.614 -3.789) 5.344 2.877 ( -6.295 0.900 1.251) 6.481 2.916 ( -7.281 -4.104 -2.677) 8.776 3.055 ( 0.262 -0.941 0.220) 1.001 3.068 ( 3.792 -0.040 -0.765) 3.868 3.400 ( 1.973 0.372 6.358) 6.668 3.474 ( 2.166 -0.066 -0.586) 2.245 4.037 ( -10.670 0.029 1.690) 10.803 4.079 ( -10.006 0.373 -1.625) 10.144 4.187 ( -3.500 -1.166 0.335) 3.704 4.197 ( -3.561 -0.555 -0.460) 3.633 4.485 ( -12.720 0.253 0.708) 12.742 4.509 ( -11.207 0.131 -1.332) 11.287 4.610 ( 0.520 0.007 2.664) 2.715 4.675 ( 2.703 -0.144 -2.663) 3.798 4.714 ( 2.840 -0.008 4.034) 4.934 4.815 ( 6.517 0.594 -2.358) 6.955 4.846 ( 4.435 0.006 2.807) 5.249 5.001 ( 8.358 1.520 -7.054) 11.042 5.048 ( 2.819 -0.261 4.275) 5.128 5.121 ( 3.102 -1.789 0.766) 3.662 5.421 ( 1.053 -0.412 3.805) 3.969 5.451 ( -0.752 1.375 -0.187) 1.578 5.470 ( 2.509 -1.984 1.099) 3.382 5.602 ( 1.664 -0.399 -4.004) 4.355 5.633 ( 0.168 0.093 1.028) 1.046 5.656 ( 4.153 -0.850 -1.799) 4.605 6.057 ( 6.356 0.542 0.119) 6.380 6.066 ( 5.808 0.053 -0.362) 5.820======================= Grid point 249 (95/98) =======================q-point: (-0.46 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.891 ( -4.688 2.584 1.803) 5.649 1.058 ( -4.001 -1.267 -10.345) 11.164 1.320 ( -2.846 3.100 0.262) 4.216 1.351 ( -2.313 3.580 -1.278) 4.450 1.386 ( -3.937 7.324 1.676) 8.482 1.432 ( -1.974 -0.252 -2.254) 3.007 1.586 ( -9.270 -2.314 1.986) 9.759 1.655 ( -7.355 -1.817 -3.313) 8.269 1.690 ( -9.521 -2.678 -0.218) 9.893 1.696 ( -5.509 -2.662 -0.282) 6.125 1.825 ( -3.726 0.957 6.437) 7.499 1.869 ( -1.006 -1.860 3.952) 4.482 1.973 ( -10.342 -3.830 4.127) 11.775 1.993 ( -7.741 0.552 0.069) 7.761 2.210 ( -0.595 4.253 6.445) 7.745 2.350 ( 3.332 1.786 -4.195) 5.647 2.566 ( -3.320 3.152 0.133) 4.579 2.580 ( -3.760 0.982 2.207) 4.469 2.688 ( -1.400 -1.739 -7.253) 7.589 2.716 ( -0.782 0.731 -6.425) 6.513 2.782 ( -5.719 -6.428 0.535) 8.621 2.874 ( 0.491 -0.086 -5.470) 5.493 3.082 ( 1.712 -1.243 2.895) 3.585 3.142 ( 3.714 -0.096 -1.924) 4.184 3.437 ( 2.382 0.853 6.992) 7.436 3.520 ( 2.730 -0.475 -0.901) 2.913 3.784 ( -14.707 -0.179 1.632) 14.799 3.822 ( -15.852 -0.835 -1.284) 15.926 4.126 ( -2.995 -0.294 0.323) 3.027 4.136 ( -2.760 -0.035 -0.469) 2.800 4.295 ( -6.406 -0.299 1.225) 6.529 4.326 ( -6.301 -0.470 -1.204) 6.432 4.643 ( 1.509 -0.153 3.213) 3.553 4.722 ( 1.729 -0.479 -2.809) 3.333 4.765 ( 2.197 0.489 4.012) 4.601 4.873 ( 1.878 1.458 -4.550) 5.133 4.948 ( 4.421 1.055 5.061) 6.803 5.086 ( 3.087 4.320 -1.093) 5.421 5.113 ( 3.431 0.076 1.759) 3.856 5.221 ( 4.506 -5.179 -4.721) 8.331 5.388 ( -2.663 -0.388 0.567) 2.750 5.402 ( -2.609 0.469 -0.619) 2.723 5.583 ( 4.831 -1.520 2.205) 5.524 5.620 ( 0.476 -0.097 -0.784) 0.922 5.639 ( 0.638 -0.356 2.707) 2.804 5.748 ( 3.922 -2.201 -3.554) 5.732 6.150 ( 4.067 1.953 0.977) 4.617 6.173 ( 4.884 -0.028 -0.629) 4.924======================= Grid point 250 (96/98) =======================q-point: (-0.38 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( -0.000 4.014 3.219) 5.145 1.028 ( 0.000 -1.552 -11.379) 11.485 1.257 ( -0.000 12.128 1.725) 12.250 1.300 ( -0.000 6.139 -1.666) 6.361 1.317 ( 0.000 -2.329 0.976) 2.525 1.415 ( 0.000 -0.531 -6.525) 6.547 1.455 ( -0.000 1.117 2.657) 2.883 1.525 ( -0.000 0.081 -2.870) 2.871 1.690 ( -0.000 1.021 8.163) 8.227 1.730 ( 0.000 -3.703 0.438) 3.729 1.739 ( 0.000 -6.215 -0.210) 6.219 1.839 ( 0.000 -3.457 3.029) 4.596 1.889 ( -0.000 4.964 0.055) 4.965 1.926 ( 0.000 -2.794 5.380) 6.062 2.174 ( -0.000 3.635 8.627) 9.362 2.391 ( -0.000 5.520 -7.276) 9.133 2.527 ( 0.000 -1.048 0.538) 1.178 2.540 ( 0.000 -1.098 -0.478) 1.197 2.682 ( 0.000 -0.602 -6.973) 6.999 2.710 ( 0.000 -1.661 -1.368) 2.152 2.765 ( 0.000 -6.857 -1.903) 7.116 2.883 ( 0.000 -0.308 -5.670) 5.678 3.112 ( 0.000 -1.763 4.030) 4.398 3.184 ( -0.000 0.244 -1.797) 1.814 3.470 ( -0.000 0.897 8.289) 8.337 3.588 ( 0.000 -1.025 -2.065) 2.305 3.608 ( -0.000 0.508 0.055) 0.511 3.610 ( -0.000 0.396 -0.086) 0.406 4.095 ( 0.000 -0.011 0.453) 0.453 4.107 ( -0.000 0.210 -0.484) 0.528 4.243 ( 0.000 -0.954 1.273) 1.591 4.275 ( 0.000 -1.056 -1.212) 1.608 4.659 ( 0.000 -0.137 3.575) 3.578 4.740 ( -0.000 0.061 -1.894) 1.895 4.784 ( -0.000 0.153 2.776) 2.780 4.881 ( -0.000 2.042 -4.331) 4.788 4.981 ( -0.000 1.600 4.007) 4.315 5.089 ( -0.000 5.072 -1.316) 5.240 5.152 ( 0.000 -0.892 3.757) 3.861 5.301 ( 0.000 -5.124 -7.414) 9.012 5.354 ( -0.000 0.242 0.688) 0.729 5.372 ( -0.000 0.227 -0.688) 0.724 5.622 ( -0.000 0.025 -0.502) 0.502 5.625 ( 0.000 -0.175 -0.556) 0.583 5.665 ( 0.000 -2.500 6.040) 6.537 5.804 ( 0.000 -3.575 -3.034) 4.689 6.177 ( -0.000 2.817 1.909) 3.403 6.223 ( -0.000 0.101 -1.265) 1.269======================= Grid point 261 (97/98) =======================q-point: (-0.54 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( -4.495 -0.000 0.664) 4.544 1.049 ( -4.283 -0.000 -9.199) 10.147 1.324 ( -3.945 -0.000 -1.029) 4.077 1.362 ( -2.526 -0.000 -2.227) 3.367 1.437 ( -2.626 -0.000 0.473) 2.668 1.460 ( -6.313 -0.000 -1.255) 6.437 1.557 ( 0.678 0.000 4.107) 4.162 1.639 ( -7.910 -0.000 -2.110) 8.186 1.672 ( -4.552 -0.000 -1.089) 4.680 1.682 ( -15.315 -0.000 -1.830) 15.424 1.838 ( -1.646 -0.000 6.808) 7.004 1.859 ( -1.224 -0.000 4.274) 4.446 1.947 ( -12.933 -0.000 4.224) 13.605 1.992 ( -5.979 -0.000 0.163) 5.982 2.238 ( 1.184 0.000 5.235) 5.367 2.359 ( 3.183 0.000 -3.161) 4.486 2.584 ( -3.990 -0.000 2.674) 4.803 2.600 ( -6.069 -0.000 0.242) 6.074 2.663 ( -2.907 -0.000 -2.752) 4.003 2.721 ( -0.180 -0.000 -8.959) 8.961 2.745 ( -5.045 -0.000 0.289) 5.054 2.875 ( 0.947 0.000 -7.519) 7.579 3.076 ( 1.832 0.000 2.896) 3.427 3.141 ( 3.722 0.000 -2.249) 4.349 3.442 ( 2.362 0.000 6.721) 7.124 3.517 ( 2.596 0.000 -0.532) 2.650 3.783 ( -14.553 -0.000 1.593) 14.640 3.818 ( -15.693 -0.000 -1.035) 15.727 4.125 ( -2.762 -0.000 0.402) 2.791 4.136 ( -2.613 -0.000 -0.506) 2.662 4.294 ( -6.638 -0.000 1.162) 6.739 4.324 ( -6.473 -0.000 -1.183) 6.581 4.642 ( 1.415 0.000 3.045) 3.357 4.718 ( 1.682 0.000 -3.121) 3.546 4.769 ( 2.314 0.000 4.737) 5.272 4.880 ( 1.808 0.000 -4.238) 4.608 4.955 ( 4.771 0.000 5.610) 7.364 5.099 ( 2.693 0.000 4.505) 5.249 5.145 ( 5.328 0.000 -9.622) 10.999 5.171 ( 2.951 0.000 0.704) 3.034 5.386 ( -2.545 -0.000 0.955) 2.719 5.405 ( -2.812 -0.000 -0.705) 2.899 5.575 ( 5.236 0.000 2.009) 5.608 5.619 ( 0.539 0.000 -1.046) 1.177 5.637 ( 0.401 0.000 2.252) 2.288 5.736 ( 3.814 0.000 -3.701) 5.315 6.163 ( 4.153 0.000 0.640) 4.202 6.171 ( 4.944 0.000 -0.281) 4.952======================= Grid point 263 (98/98) =======================q-point: (-0.46 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.859 ( -0.000 1.545 0.907) 1.791 1.011 ( 0.000 -1.154 -8.647) 8.724 1.293 ( 0.000 -1.284 -0.764) 1.494 1.339 ( -0.000 2.179 0.070) 2.180 1.343 ( -0.000 2.829 -0.213) 2.837 1.397 ( 0.000 -1.679 -7.345) 7.534 1.486 ( -0.000 3.598 2.258) 4.248 1.537 ( -0.000 1.641 -1.722) 2.379 1.671 ( 0.000 -5.072 0.894) 5.150 1.698 ( 0.000 -1.978 -1.268) 2.349 1.719 ( -0.000 2.843 7.046) 7.597 1.810 ( 0.000 -1.663 3.202) 3.608 1.892 ( 0.000 -1.937 5.984) 6.289 1.927 ( -0.000 1.025 -0.998) 1.431 2.239 ( -0.000 5.763 8.645) 10.390 2.421 ( -0.000 0.301 -2.324) 2.344 2.520 ( 0.000 -0.303 0.487) 0.574 2.531 ( 0.000 -0.439 -0.416) 0.605 2.646 ( 0.000 -3.959 0.285) 3.969 2.703 ( -0.000 0.213 -0.624) 0.659 2.725 ( 0.000 -1.158 -9.218) 9.291 2.887 ( -0.000 0.521 -9.415) 9.429 3.101 ( 0.000 -0.421 4.249) 4.270 3.184 ( 0.000 -0.096 -2.611) 2.613 3.476 ( -0.000 0.265 8.105) 8.109 3.577 ( 0.000 -0.649 -1.092) 1.271 3.612 ( -0.000 0.171 0.023) 0.172 3.613 ( -0.000 0.134 -0.056) 0.145 4.096 ( -0.000 0.077 0.527) 0.532 4.110 ( -0.000 0.168 -0.552) 0.577 4.235 ( 0.000 -0.431 1.247) 1.319 4.266 ( 0.000 -0.454 -1.189) 1.272 4.656 ( 0.000 -0.227 3.308) 3.316 4.735 ( 0.000 -0.423 -3.016) 3.045 4.790 ( -0.000 0.498 4.666) 4.692 4.895 ( -0.000 0.650 -3.674) 3.731 4.997 ( -0.000 0.985 5.295) 5.385 5.127 ( -0.000 0.633 4.150) 4.198 5.167 ( -0.000 5.203 -4.317) 6.761 5.236 ( 0.000 -6.621 -5.242) 8.445 5.356 ( -0.000 0.087 0.684) 0.690 5.373 ( -0.000 0.082 -0.684) 0.689 5.621 ( 0.000 -0.089 -1.043) 1.047 5.624 ( 0.000 -0.028 -0.629) 0.630 5.649 ( 0.000 -0.654 5.078) 5.120 5.778 ( 0.000 -1.220 -3.448) 3.657 6.200 ( -0.000 1.362 1.194) 1.811 6.222 ( 0.000 -0.244 -0.586) 0.635=================== 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 3/24336 10.0 272.291 514.981 97.507 0.000 0.000 -0.000 3/24336 20.0 74.297 61.117 26.495 0.000 0.000 -0.000 3/24336 30.0 35.895 23.746 12.921 0.000 0.000 -0.000 3/24336 40.0 22.874 13.839 8.259 0.000 0.000 -0.000 3/24336 50.0 16.554 9.610 6.001 0.000 0.000 -0.000 3/24336 60.0 12.927 7.333 4.699 0.000 0.000 -0.000 3/24336 70.0 10.613 5.931 3.864 0.000 0.000 -0.000 3/24336 80.0 9.020 4.988 3.286 0.000 0.000 -0.000 3/24336 90.0 7.857 4.310 2.864 0.000 0.000 -0.000 3/24336 100.0 6.972 3.800 2.541 0.000 0.000 -0.000 3/24336 110.0 6.273 3.403 2.287 0.000 0.000 -0.000 3/24336 120.0 5.708 3.083 2.081 0.000 0.000 -0.000 3/24336 130.0 5.239 2.820 1.910 0.000 0.000 -0.000 3/24336 140.0 4.845 2.600 1.766 0.000 0.000 -0.000 3/24336 150.0 4.507 2.413 1.643 0.000 0.000 -0.000 3/24336 160.0 4.215 2.252 1.537 0.000 0.000 -0.000 3/24336 170.0 3.960 2.112 1.444 0.000 0.000 -0.000 3/24336 180.0 3.735 1.989 1.362 0.000 0.000 -0.000 3/24336 190.0 3.534 1.879 1.289 0.000 0.000 -0.000 3/24336 200.0 3.355 1.781 1.223 0.000 0.000 -0.000 3/24336 210.0 3.193 1.694 1.164 0.000 0.000 -0.000 3/24336 220.0 3.046 1.614 1.111 0.000 0.000 -0.000 3/24336 230.0 2.913 1.542 1.062 0.000 0.000 -0.000 3/24336 240.0 2.790 1.476 1.018 0.000 0.000 -0.000 3/24336 250.0 2.678 1.416 0.977 0.000 0.000 -0.000 3/24336 260.0 2.575 1.360 0.939 0.000 0.000 -0.000 3/24336 270.0 2.479 1.309 0.904 0.000 0.000 -0.000 3/24336 280.0 2.391 1.261 0.872 0.000 0.000 -0.000 3/24336 290.0 2.308 1.217 0.842 0.000 0.000 -0.000 3/24336 300.0 2.231 1.176 0.814 0.000 0.000 -0.000 3/24336 310.0 2.159 1.138 0.788 0.000 0.000 -0.000 3/24336 320.0 2.092 1.102 0.763 0.000 0.000 -0.000 3/24336 330.0 2.029 1.068 0.740 0.000 0.000 -0.000 3/24336 340.0 1.969 1.036 0.718 0.000 0.000 -0.000 3/24336 350.0 1.913 1.007 0.698 0.000 0.000 -0.000 3/24336 360.0 1.860 0.978 0.679 0.000 0.000 -0.000 3/24336 370.0 1.810 0.952 0.660 0.000 0.000 -0.000 3/24336 380.0 1.763 0.927 0.643 0.000 0.000 -0.000 3/24336 390.0 1.718 0.903 0.627 0.000 0.000 -0.000 3/24336 400.0 1.675 0.880 0.611 0.000 0.000 -0.000 3/24336 410.0 1.634 0.859 0.596 0.000 0.000 -0.000 3/24336 420.0 1.596 0.838 0.582 0.000 0.000 -0.000 3/24336 430.0 1.559 0.818 0.569 0.000 0.000 -0.000 3/24336 440.0 1.524 0.800 0.556 0.000 0.000 -0.000 3/24336 450.0 1.490 0.782 0.544 0.000 0.000 -0.000 3/24336 460.0 1.458 0.765 0.532 0.000 0.000 -0.000 3/24336 470.0 1.427 0.749 0.521 0.000 0.000 -0.000 3/24336 480.0 1.397 0.733 0.510 0.000 0.000 -0.000 3/24336 490.0 1.369 0.718 0.500 0.000 0.000 -0.000 3/24336 500.0 1.342 0.704 0.490 0.000 0.000 -0.000 3/24336 510.0 1.316 0.690 0.480 0.000 0.000 -0.000 3/24336 520.0 1.290 0.677 0.471 0.000 0.000 -0.000 3/24336 530.0 1.266 0.664 0.462 0.000 0.000 -0.000 3/24336 540.0 1.243 0.651 0.454 0.000 0.000 -0.000 3/24336 550.0 1.220 0.640 0.445 0.000 0.000 -0.000 3/24336 560.0 1.199 0.628 0.438 0.000 0.000 -0.000 3/24336 570.0 1.178 0.617 0.430 0.000 0.000 -0.000 3/24336 580.0 1.158 0.607 0.423 0.000 0.000 -0.000 3/24336 590.0 1.138 0.596 0.415 0.000 0.000 -0.000 3/24336 600.0 1.119 0.586 0.409 0.000 0.000 -0.000 3/24336 610.0 1.101 0.577 0.402 0.000 0.000 -0.000 3/24336 620.0 1.083 0.567 0.396 0.000 0.000 -0.000 3/24336 630.0 1.066 0.558 0.389 0.000 0.000 -0.000 3/24336 640.0 1.050 0.550 0.383 0.000 0.000 -0.000 3/24336 650.0 1.034 0.541 0.377 0.000 0.000 -0.000 3/24336 660.0 1.018 0.533 0.372 0.000 0.000 -0.000 3/24336 670.0 1.003 0.525 0.366 0.000 0.000 -0.000 3/24336 680.0 0.988 0.517 0.361 0.000 0.000 -0.000 3/24336 690.0 0.974 0.510 0.356 0.000 0.000 -0.000 3/24336 700.0 0.960 0.503 0.351 0.000 0.000 -0.000 3/24336 710.0 0.947 0.496 0.346 0.000 0.000 -0.000 3/24336 720.0 0.934 0.489 0.341 0.000 0.000 -0.000 3/24336 730.0 0.921 0.482 0.336 0.000 0.000 -0.000 3/24336 740.0 0.909 0.475 0.332 0.000 0.000 -0.000 3/24336 750.0 0.897 0.469 0.327 0.000 0.000 -0.000 3/24336 760.0 0.885 0.463 0.323 0.000 0.000 -0.000 3/24336 770.0 0.873 0.457 0.319 0.000 0.000 -0.000 3/24336 780.0 0.862 0.451 0.315 0.000 0.000 -0.000 3/24336 790.0 0.851 0.445 0.311 0.000 0.000 -0.000 3/24336 800.0 0.841 0.440 0.307 0.000 0.000 -0.000 3/24336 810.0 0.831 0.434 0.303 0.000 0.000 -0.000 3/24336 820.0 0.820 0.429 0.300 0.000 0.000 -0.000 3/24336 830.0 0.811 0.424 0.296 0.000 0.000 -0.000 3/24336 840.0 0.801 0.419 0.293 0.000 0.000 -0.000 3/24336 850.0 0.792 0.414 0.289 0.000 0.000 -0.000 3/24336 860.0 0.783 0.409 0.286 0.000 0.000 -0.000 3/24336 870.0 0.774 0.405 0.282 0.000 0.000 -0.000 3/24336 880.0 0.765 0.400 0.279 0.000 0.000 -0.000 3/24336 890.0 0.756 0.395 0.276 0.000 0.000 -0.000 3/24336 900.0 0.748 0.391 0.273 0.000 0.000 -0.000 3/24336 910.0 0.740 0.387 0.270 0.000 0.000 -0.000 3/24336 920.0 0.732 0.383 0.267 0.000 0.000 -0.000 3/24336 930.0 0.724 0.378 0.264 0.000 0.000 -0.000 3/24336 940.0 0.716 0.374 0.262 0.000 0.000 -0.000 3/24336 950.0 0.709 0.371 0.259 0.000 0.000 -0.000 3/24336 960.0 0.701 0.367 0.256 0.000 0.000 -0.000 3/24336 970.0 0.694 0.363 0.254 0.000 0.000 -0.000 3/24336 980.0 0.687 0.359 0.251 0.000 0.000 -0.000 3/24336 990.0 0.680 0.356 0.248 0.000 0.000 -0.000 3/24336 1000.0 0.673 0.352 0.246 0.000 0.000 -0.000 3/24336Thermal conductivity related properties were written into "kappa-m13133.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 01:49:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|