----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:36:49]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.084106580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.091406290000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.638118400000000 Atomic positions (fractional): *1 Be 0.75756904609513 0.75000000000000 0.41684825288709 9.012 2 Be 0.74243095390487 0.25000000000000 0.91684825288709 9.012 3 Be 0.25756904609513 0.75000000000000 0.08315174711291 9.012 4 Be 0.24243095390487 0.25000000000000 0.58315174711291 9.012 *5 F 0.55002480921728 0.25000000000000 0.90902208229955 18.998 6 F 0.44997519078272 0.75000000000000 0.09097791770045 18.998 7 F 0.94997519078272 0.75000000000000 0.40902208229955 18.998 8 F 0.05002480921728 0.25000000000000 0.59097791770045 18.998 *9 F 0.19475225601804 0.75000000000000 0.94333492452967 18.998 10 F 0.69475225601805 0.75000000000000 0.55666507547033 18.998 11 F 0.80524774398195 0.25000000000000 0.05666507547033 18.998 12 F 0.30524774398195 0.25000000000000 0.44333492452967 18.998 *13 F 0.31235648336042 0.45993795750270 0.64936646558188 18.998 14 F 0.68764351663958 0.95993795750270 0.35063353441812 18.998 15 F 0.18764351663958 0.95993795750270 0.14936646558188 18.998 16 F 0.81235648336042 0.45993795750270 0.85063353441812 18.998 17 F 0.31235648336042 0.04006204249730 0.64936646558188 18.998 18 F 0.68764351663958 0.54006204249730 0.35063353441812 18.998 19 F 0.18764351663958 0.54006204249730 0.14936646558188 18.998 20 F 0.81235648336042 0.04006204249730 0.85063353441812 18.998 *21 Cs 0.51462076364465 0.75000000000000 0.81193545183784 132.905 22 Cs 0.48537923635535 0.25000000000000 0.18806454816216 132.905 23 Cs 0.98537923635535 0.25000000000000 0.31193545183784 132.905 24 Cs 0.01462076364465 0.75000000000000 0.68806454816216 132.905 *25 Cs 0.66236210954076 0.25000000000000 0.59496803178732 132.905 26 Cs 0.33763789045924 0.75000000000000 0.40503196821268 132.905 27 Cs 0.83763789045924 0.75000000000000 0.09496803178732 132.905 28 Cs 0.16236210954076 0.25000000000000 0.90503196821268 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.084106580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.091406290000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.638118400000000 Atomic positions (fractional): *1 Be 0.75756904609513 0.75000000000000 0.41684825288709 9.012 > 1 2 Be 0.74243095390487 0.25000000000000 0.91684825288709 9.012 > 2 3 Be 0.25756904609513 0.75000000000000 0.08315174711291 9.012 > 3 4 Be 0.24243095390487 0.25000000000000 0.58315174711291 9.012 > 4 *5 F 0.55002480921728 0.25000000000000 0.90902208229955 18.998 > 5 6 F 0.44997519078272 0.75000000000000 0.09097791770045 18.998 > 6 7 F 0.94997519078272 0.75000000000000 0.40902208229955 18.998 > 7 8 F 0.05002480921728 0.25000000000000 0.59097791770045 18.998 > 8 *9 F 0.19475225601804 0.75000000000000 0.94333492452967 18.998 > 9 10 F 0.69475225601805 0.75000000000000 0.55666507547033 18.998 > 10 11 F 0.80524774398195 0.25000000000000 0.05666507547033 18.998 > 11 12 F 0.30524774398195 0.25000000000000 0.44333492452967 18.998 > 12 *13 F 0.31235648336042 0.45993795750270 0.64936646558188 18.998 > 13 14 F 0.68764351663958 0.95993795750270 0.35063353441812 18.998 > 14 15 F 0.18764351663958 0.95993795750270 0.14936646558188 18.998 > 15 16 F 0.81235648336042 0.45993795750270 0.85063353441812 18.998 > 16 17 F 0.31235648336042 0.04006204249730 0.64936646558188 18.998 > 17 18 F 0.68764351663958 0.54006204249730 0.35063353441812 18.998 > 18 19 F 0.18764351663958 0.54006204249730 0.14936646558188 18.998 > 19 20 F 0.81235648336042 0.04006204249730 0.85063353441812 18.998 > 20 *21 Cs 0.51462076364465 0.75000000000000 0.81193545183784 132.905 > 21 22 Cs 0.48537923635535 0.25000000000000 0.18806454816216 132.905 > 22 23 Cs 0.98537923635535 0.25000000000000 0.31193545183784 132.905 > 23 24 Cs 0.01462076364465 0.75000000000000 0.68806454816216 132.905 > 24 *25 Cs 0.66236210954076 0.25000000000000 0.59496803178732 132.905 > 25 26 Cs 0.33763789045924 0.75000000000000 0.40503196821268 132.905 > 26 27 Cs 0.83763789045924 0.75000000000000 0.09496803178732 132.905 > 27 28 Cs 0.16236210954076 0.25000000000000 0.90503196821268 132.905 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.168213160000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.182812580000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.638118400000000 Atomic positions (fractional): *1 Be 0.37878452304757 0.37500000000000 0.41684825288709 9.012 > 1 2 Be 0.87878452304757 0.37500000000000 0.41684825288709 9.012 > 1 3 Be 0.37878452304757 0.87500000000000 0.41684825288709 9.012 > 1 4 Be 0.87878452304757 0.87500000000000 0.41684825288709 9.012 > 1 5 Be 0.37121547695243 0.12500000000000 0.91684825288709 9.012 > 2 6 Be 0.87121547695243 0.12500000000000 0.91684825288709 9.012 > 2 7 Be 0.37121547695243 0.62500000000000 0.91684825288709 9.012 > 2 8 Be 0.87121547695243 0.62500000000000 0.91684825288709 9.012 > 2 9 Be 0.12878452304757 0.37500000000000 0.08315174711291 9.012 > 3 10 Be 0.62878452304757 0.37500000000000 0.08315174711291 9.012 > 3 11 Be 0.12878452304757 0.87500000000000 0.08315174711291 9.012 > 3 12 Be 0.62878452304757 0.87500000000000 0.08315174711291 9.012 > 3 13 Be 0.12121547695243 0.12500000000000 0.58315174711291 9.012 > 4 14 Be 0.62121547695243 0.12500000000000 0.58315174711291 9.012 > 4 15 Be 0.12121547695243 0.62500000000000 0.58315174711291 9.012 > 4 16 Be 0.62121547695243 0.62500000000000 0.58315174711291 9.012 > 4 *17 F 0.27501240460864 0.12500000000000 0.90902208229955 18.998 > 5 18 F 0.77501240460864 0.12500000000000 0.90902208229955 18.998 > 5 19 F 0.27501240460864 0.62500000000000 0.90902208229955 18.998 > 5 20 F 0.77501240460864 0.62500000000000 0.90902208229955 18.998 > 5 21 F 0.22498759539136 0.37500000000000 0.09097791770045 18.998 > 6 22 F 0.72498759539136 0.37500000000000 0.09097791770045 18.998 > 6 23 F 0.22498759539136 0.87500000000000 0.09097791770045 18.998 > 6 24 F 0.72498759539136 0.87500000000000 0.09097791770045 18.998 > 6 25 F 0.47498759539136 0.37500000000000 0.40902208229955 18.998 > 7 26 F 0.97498759539136 0.37500000000000 0.40902208229955 18.998 > 7 27 F 0.47498759539136 0.87500000000000 0.40902208229955 18.998 > 7 28 F 0.97498759539136 0.87500000000000 0.40902208229955 18.998 > 7 29 F 0.02501240460864 0.12500000000000 0.59097791770045 18.998 > 8 30 F 0.52501240460864 0.12500000000000 0.59097791770045 18.998 > 8 31 F 0.02501240460864 0.62500000000000 0.59097791770045 18.998 > 8 32 F 0.52501240460864 0.62500000000000 0.59097791770045 18.998 > 8 *33 F 0.09737612800902 0.37500000000000 0.94333492452967 18.998 > 9 34 F 0.59737612800902 0.37500000000000 0.94333492452967 18.998 > 9 35 F 0.09737612800902 0.87500000000000 0.94333492452967 18.998 > 9 36 F 0.59737612800902 0.87500000000000 0.94333492452967 18.998 > 9 37 F 0.34737612800902 0.37500000000000 0.55666507547033 18.998 > 10 38 F 0.84737612800902 0.37500000000000 0.55666507547033 18.998 > 10 39 F 0.34737612800902 0.87500000000000 0.55666507547033 18.998 > 10 40 F 0.84737612800902 0.87500000000000 0.55666507547033 18.998 > 10 41 F 0.40262387199098 0.12500000000000 0.05666507547033 18.998 > 11 42 F 0.90262387199098 0.12500000000000 0.05666507547033 18.998 > 11 43 F 0.40262387199098 0.62500000000000 0.05666507547033 18.998 > 11 44 F 0.90262387199098 0.62500000000000 0.05666507547033 18.998 > 11 45 F 0.15262387199098 0.12500000000000 0.44333492452967 18.998 > 12 46 F 0.65262387199098 0.12500000000000 0.44333492452967 18.998 > 12 47 F 0.15262387199098 0.62500000000000 0.44333492452967 18.998 > 12 48 F 0.65262387199098 0.62500000000000 0.44333492452967 18.998 > 12 *49 F 0.15617824168021 0.22996897875135 0.64936646558188 18.998 > 13 50 F 0.65617824168021 0.22996897875135 0.64936646558188 18.998 > 13 51 F 0.15617824168021 0.72996897875135 0.64936646558188 18.998 > 13 52 F 0.65617824168021 0.72996897875135 0.64936646558188 18.998 > 13 53 F 0.34382175831979 0.47996897875135 0.35063353441812 18.998 > 14 54 F 0.84382175831979 0.47996897875135 0.35063353441812 18.998 > 14 55 F 0.34382175831979 0.97996897875135 0.35063353441812 18.998 > 14 56 F 0.84382175831979 0.97996897875135 0.35063353441812 18.998 > 14 57 F 0.09382175831979 0.47996897875135 0.14936646558188 18.998 > 15 58 F 0.59382175831979 0.47996897875135 0.14936646558188 18.998 > 15 59 F 0.09382175831979 0.97996897875135 0.14936646558188 18.998 > 15 60 F 0.59382175831979 0.97996897875135 0.14936646558188 18.998 > 15 61 F 0.40617824168021 0.22996897875135 0.85063353441812 18.998 > 16 62 F 0.90617824168021 0.22996897875135 0.85063353441812 18.998 > 16 63 F 0.40617824168021 0.72996897875135 0.85063353441812 18.998 > 16 64 F 0.90617824168021 0.72996897875135 0.85063353441812 18.998 > 16 65 F 0.15617824168021 0.02003102124865 0.64936646558188 18.998 > 17 66 F 0.65617824168021 0.02003102124865 0.64936646558188 18.998 > 17 67 F 0.15617824168021 0.52003102124865 0.64936646558188 18.998 > 17 68 F 0.65617824168021 0.52003102124865 0.64936646558188 18.998 > 17 69 F 0.34382175831979 0.27003102124865 0.35063353441812 18.998 > 18 70 F 0.84382175831979 0.27003102124865 0.35063353441812 18.998 > 18 71 F 0.34382175831979 0.77003102124865 0.35063353441812 18.998 > 18 72 F 0.84382175831979 0.77003102124865 0.35063353441812 18.998 > 18 73 F 0.09382175831979 0.27003102124865 0.14936646558188 18.998 > 19 74 F 0.59382175831979 0.27003102124865 0.14936646558188 18.998 > 19 75 F 0.09382175831979 0.77003102124865 0.14936646558188 18.998 > 19 76 F 0.59382175831979 0.77003102124865 0.14936646558188 18.998 > 19 77 F 0.40617824168021 0.02003102124865 0.85063353441812 18.998 > 20 78 F 0.90617824168021 0.02003102124865 0.85063353441812 18.998 > 20 79 F 0.40617824168021 0.52003102124865 0.85063353441812 18.998 > 20 80 F 0.90617824168021 0.52003102124865 0.85063353441812 18.998 > 20 *81 Cs 0.25731038182233 0.37500000000000 0.81193545183784 132.905 > 21 82 Cs 0.75731038182233 0.37500000000000 0.81193545183784 132.905 > 21 83 Cs 0.25731038182233 0.87500000000000 0.81193545183784 132.905 > 21 84 Cs 0.75731038182233 0.87500000000000 0.81193545183784 132.905 > 21 85 Cs 0.24268961817767 0.12500000000000 0.18806454816216 132.905 > 22 86 Cs 0.74268961817767 0.12500000000000 0.18806454816216 132.905 > 22 87 Cs 0.24268961817767 0.62500000000000 0.18806454816216 132.905 > 22 88 Cs 0.74268961817767 0.62500000000000 0.18806454816216 132.905 > 22 89 Cs 0.49268961817767 0.12500000000000 0.31193545183784 132.905 > 23 90 Cs 0.99268961817767 0.12500000000000 0.31193545183784 132.905 > 23 91 Cs 0.49268961817767 0.62500000000000 0.31193545183784 132.905 > 23 92 Cs 0.99268961817767 0.62500000000000 0.31193545183784 132.905 > 23 93 Cs 0.00731038182233 0.37500000000000 0.68806454816216 132.905 > 24 94 Cs 0.50731038182233 0.37500000000000 0.68806454816216 132.905 > 24 95 Cs 0.00731038182233 0.87500000000000 0.68806454816216 132.905 > 24 96 Cs 0.50731038182233 0.87500000000000 0.68806454816216 132.905 > 24 *97 Cs 0.33118105477038 0.12500000000000 0.59496803178732 132.905 > 25 98 Cs 0.83118105477038 0.12500000000000 0.59496803178732 132.905 > 25 99 Cs 0.33118105477038 0.62500000000000 0.59496803178732 132.905 > 25 100 Cs 0.83118105477038 0.62500000000000 0.59496803178732 132.905 > 25 101 Cs 0.16881894522962 0.37500000000000 0.40503196821268 132.905 > 26 102 Cs 0.66881894522962 0.37500000000000 0.40503196821268 132.905 > 26 103 Cs 0.16881894522962 0.87500000000000 0.40503196821268 132.905 > 26 104 Cs 0.66881894522962 0.87500000000000 0.40503196821268 132.905 > 26 105 Cs 0.41881894522962 0.37500000000000 0.09496803178732 132.905 > 27 106 Cs 0.91881894522962 0.37500000000000 0.09496803178732 132.905 > 27 107 Cs 0.41881894522962 0.87500000000000 0.09496803178732 132.905 > 27 108 Cs 0.91881894522962 0.87500000000000 0.09496803178732 132.905 > 27 109 Cs 0.08118105477038 0.12500000000000 0.90503196821268 132.905 > 28 110 Cs 0.58118105477038 0.12500000000000 0.90503196821268 132.905 > 28 111 Cs 0.08118105477038 0.62500000000000 0.90503196821268 132.905 > 28 112 Cs 0.58118105477038 0.62500000000000 0.90503196821268 132.905 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2959600 0.0000000 0.0000000 0.0000000 2.2910446 0.0000000 0.0000000 0.0000000 2.2909071 -------------------------- Born effective charges -------------------------- 1 Be 1.7568882 0.0000000 -0.0197338 0.0000000 1.7744004 0.0000000 -0.0215721 0.0000000 1.7727962 2 Be 1.7568882 0.0000000 0.0197338 0.0000000 1.7744004 0.0000000 0.0215721 0.0000000 1.7727962 3 Be 1.7568882 0.0000000 0.0197338 0.0000000 1.7744004 0.0000000 0.0215721 0.0000000 1.7727962 4 Be 1.7568882 0.0000000 -0.0197338 0.0000000 1.7744004 0.0000000 -0.0215721 0.0000000 1.7727962 5 F -1.3566362 0.0000000 0.0275630 0.0000000 -0.9388141 0.0000000 0.0253727 0.0000000 -1.0064704 6 F -1.3566362 0.0000000 0.0275630 0.0000000 -0.9388141 0.0000000 0.0253727 0.0000000 -1.0064704 7 F -1.3566362 0.0000000 -0.0275630 0.0000000 -0.9388141 0.0000000 -0.0253727 0.0000000 -1.0064704 8 F -1.3566362 0.0000000 -0.0275630 0.0000000 -0.9388141 0.0000000 -0.0253727 0.0000000 -1.0064704 9 F -1.0175980 0.0000000 -0.0671058 0.0000000 -1.0274261 0.0000000 -0.0780783 0.0000000 -1.3421688 10 F -1.0175980 0.0000000 0.0671058 0.0000000 -1.0274261 0.0000000 0.0780783 0.0000000 -1.3421688 11 F -1.0175980 0.0000000 -0.0671058 0.0000000 -1.0274261 0.0000000 -0.0780783 0.0000000 -1.3421688 12 F -1.0175980 0.0000000 0.0671058 0.0000000 -1.0274261 0.0000000 0.0780783 0.0000000 -1.3421688 13 F -1.0732267 -0.0888505 -0.0446269 -0.0914910 -1.2511701 -0.1740264 -0.0458356 -0.1687390 -1.0550394 14 F -1.0732267 0.0888505 -0.0446269 0.0914910 -1.2511701 0.1740264 -0.0458356 0.1687390 -1.0550394 15 F -1.0732267 0.0888505 0.0446269 0.0914910 -1.2511701 -0.1740264 0.0458356 -0.1687390 -1.0550394 16 F -1.0732267 -0.0888505 0.0446269 -0.0914910 -1.2511701 0.1740264 0.0458356 0.1687390 -1.0550394 17 F -1.0732267 0.0888505 -0.0446269 0.0914910 -1.2511701 0.1740264 -0.0458356 0.1687390 -1.0550394 18 F -1.0732267 -0.0888505 -0.0446269 -0.0914910 -1.2511701 -0.1740264 -0.0458356 -0.1687390 -1.0550394 19 F -1.0732267 -0.0888505 0.0446269 -0.0914910 -1.2511701 0.1740264 0.0458356 0.1687390 -1.0550394 20 F -1.0732267 0.0888505 0.0446269 0.0914910 -1.2511701 -0.1740264 0.0458356 -0.1687390 -1.0550394 21 Cs 1.4055119 0.0000000 -0.0041695 0.0000000 1.3188014 0.0000000 0.0019225 0.0000000 1.3522238 22 Cs 1.4055119 0.0000000 -0.0041695 0.0000000 1.3188014 0.0000000 0.0019225 0.0000000 1.3522238 23 Cs 1.4055119 0.0000000 0.0041695 0.0000000 1.3188014 0.0000000 -0.0019225 0.0000000 1.3522238 24 Cs 1.4055119 0.0000000 0.0041695 0.0000000 1.3188014 0.0000000 -0.0019225 0.0000000 1.3522238 25 Cs 1.3582873 0.0000000 0.0273342 0.0000000 1.3753787 0.0000000 0.0317316 0.0000000 1.3336979 26 Cs 1.3582873 0.0000000 0.0273342 0.0000000 1.3753787 0.0000000 0.0317316 0.0000000 1.3336979 27 Cs 1.3582873 0.0000000 -0.0273342 0.0000000 1.3753787 0.0000000 -0.0317316 0.0000000 1.3336979 28 Cs 1.3582873 0.0000000 -0.0273342 0.0000000 1.3753787 0.0000000 -0.0317316 0.0000000 1.3336979 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 0.391 Solver_block: 200 / 480 - Time: 0.366 Solver_block: 300 / 480 - Time: 0.360 Solver_block: 400 / 480 - Time: 0.361 Solver_block: 480 / 480 - Time: 0.321 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.840 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:37:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:37:07]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.084106580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.091406290000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.638118400000000 Atomic positions (fractional): 1 Be 0.75756904609513 0.75000000000000 0.41684825288709 9.012 2 Be 0.74243095390487 0.25000000000000 0.91684825288709 9.012 3 Be 0.25756904609513 0.75000000000000 0.08315174711291 9.012 4 Be 0.24243095390487 0.25000000000000 0.58315174711291 9.012 5 F 0.55002480921728 0.25000000000000 0.90902208229955 18.998 6 F 0.44997519078272 0.75000000000000 0.09097791770045 18.998 7 F 0.94997519078272 0.75000000000000 0.40902208229955 18.998 8 F 0.05002480921728 0.25000000000000 0.59097791770045 18.998 9 F 0.19475225601804 0.75000000000000 0.94333492452967 18.998 10 F 0.69475225601805 0.75000000000000 0.55666507547033 18.998 11 F 0.80524774398195 0.25000000000000 0.05666507547033 18.998 12 F 0.30524774398195 0.25000000000000 0.44333492452967 18.998 13 F 0.31235648336042 0.45993795750270 0.64936646558188 18.998 14 F 0.68764351663958 0.95993795750270 0.35063353441812 18.998 15 F 0.18764351663958 0.95993795750270 0.14936646558188 18.998 16 F 0.81235648336042 0.45993795750270 0.85063353441812 18.998 17 F 0.31235648336042 0.04006204249730 0.64936646558188 18.998 18 F 0.68764351663958 0.54006204249730 0.35063353441812 18.998 19 F 0.18764351663958 0.54006204249730 0.14936646558188 18.998 20 F 0.81235648336042 0.04006204249730 0.85063353441812 18.998 21 Cs 0.51462076364465 0.75000000000000 0.81193545183784 132.905 22 Cs 0.48537923635535 0.25000000000000 0.18806454816216 132.905 23 Cs 0.98537923635535 0.25000000000000 0.31193545183784 132.905 24 Cs 0.01462076364465 0.75000000000000 0.68806454816216 132.905 25 Cs 0.66236210954076 0.25000000000000 0.59496803178732 132.905 26 Cs 0.33763789045924 0.75000000000000 0.40503196821268 132.905 27 Cs 0.83763789045924 0.75000000000000 0.09496803178732 132.905 28 Cs 0.16236210954076 0.25000000000000 0.90503196821268 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.168213160000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.182812580000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.638118400000000 Atomic positions (fractional): 1 Be 0.37878452304757 0.37500000000000 0.41684825288709 9.012 > 1 2 Be 0.87878452304757 0.37500000000000 0.41684825288709 9.012 > 1 3 Be 0.37878452304757 0.87500000000000 0.41684825288709 9.012 > 1 4 Be 0.87878452304757 0.87500000000000 0.41684825288709 9.012 > 1 5 Be 0.37121547695243 0.12500000000000 0.91684825288709 9.012 > 5 6 Be 0.87121547695243 0.12500000000000 0.91684825288709 9.012 > 5 7 Be 0.37121547695243 0.62500000000000 0.91684825288709 9.012 > 5 8 Be 0.87121547695243 0.62500000000000 0.91684825288709 9.012 > 5 9 Be 0.12878452304757 0.37500000000000 0.08315174711291 9.012 > 9 10 Be 0.62878452304757 0.37500000000000 0.08315174711291 9.012 > 9 11 Be 0.12878452304757 0.87500000000000 0.08315174711291 9.012 > 9 12 Be 0.62878452304757 0.87500000000000 0.08315174711291 9.012 > 9 13 Be 0.12121547695243 0.12500000000000 0.58315174711291 9.012 > 13 14 Be 0.62121547695243 0.12500000000000 0.58315174711291 9.012 > 13 15 Be 0.12121547695243 0.62500000000000 0.58315174711291 9.012 > 13 16 Be 0.62121547695243 0.62500000000000 0.58315174711291 9.012 > 13 17 F 0.27501240460864 0.12500000000000 0.90902208229955 18.998 > 17 18 F 0.77501240460864 0.12500000000000 0.90902208229955 18.998 > 17 19 F 0.27501240460864 0.62500000000000 0.90902208229955 18.998 > 17 20 F 0.77501240460864 0.62500000000000 0.90902208229955 18.998 > 17 21 F 0.22498759539136 0.37500000000000 0.09097791770045 18.998 > 21 22 F 0.72498759539136 0.37500000000000 0.09097791770045 18.998 > 21 23 F 0.22498759539136 0.87500000000000 0.09097791770045 18.998 > 21 24 F 0.72498759539136 0.87500000000000 0.09097791770045 18.998 > 21 25 F 0.47498759539136 0.37500000000000 0.40902208229955 18.998 > 25 26 F 0.97498759539136 0.37500000000000 0.40902208229955 18.998 > 25 27 F 0.47498759539136 0.87500000000000 0.40902208229955 18.998 > 25 28 F 0.97498759539136 0.87500000000000 0.40902208229955 18.998 > 25 29 F 0.02501240460864 0.12500000000000 0.59097791770045 18.998 > 29 30 F 0.52501240460864 0.12500000000000 0.59097791770045 18.998 > 29 31 F 0.02501240460864 0.62500000000000 0.59097791770045 18.998 > 29 32 F 0.52501240460864 0.62500000000000 0.59097791770045 18.998 > 29 33 F 0.09737612800902 0.37500000000000 0.94333492452967 18.998 > 33 34 F 0.59737612800902 0.37500000000000 0.94333492452967 18.998 > 33 35 F 0.09737612800902 0.87500000000000 0.94333492452967 18.998 > 33 36 F 0.59737612800902 0.87500000000000 0.94333492452967 18.998 > 33 37 F 0.34737612800902 0.37500000000000 0.55666507547033 18.998 > 37 38 F 0.84737612800902 0.37500000000000 0.55666507547033 18.998 > 37 39 F 0.34737612800902 0.87500000000000 0.55666507547033 18.998 > 37 40 F 0.84737612800902 0.87500000000000 0.55666507547033 18.998 > 37 41 F 0.40262387199098 0.12500000000000 0.05666507547033 18.998 > 41 42 F 0.90262387199098 0.12500000000000 0.05666507547033 18.998 > 41 43 F 0.40262387199098 0.62500000000000 0.05666507547033 18.998 > 41 44 F 0.90262387199098 0.62500000000000 0.05666507547033 18.998 > 41 45 F 0.15262387199098 0.12500000000000 0.44333492452967 18.998 > 45 46 F 0.65262387199098 0.12500000000000 0.44333492452967 18.998 > 45 47 F 0.15262387199098 0.62500000000000 0.44333492452967 18.998 > 45 48 F 0.65262387199098 0.62500000000000 0.44333492452967 18.998 > 45 49 F 0.15617824168021 0.22996897875135 0.64936646558188 18.998 > 49 50 F 0.65617824168021 0.22996897875135 0.64936646558188 18.998 > 49 51 F 0.15617824168021 0.72996897875135 0.64936646558188 18.998 > 49 52 F 0.65617824168021 0.72996897875135 0.64936646558188 18.998 > 49 53 F 0.34382175831979 0.47996897875135 0.35063353441812 18.998 > 53 54 F 0.84382175831979 0.47996897875135 0.35063353441812 18.998 > 53 55 F 0.34382175831979 0.97996897875135 0.35063353441812 18.998 > 53 56 F 0.84382175831979 0.97996897875135 0.35063353441812 18.998 > 53 57 F 0.09382175831979 0.47996897875135 0.14936646558188 18.998 > 57 58 F 0.59382175831979 0.47996897875135 0.14936646558188 18.998 > 57 59 F 0.09382175831979 0.97996897875135 0.14936646558188 18.998 > 57 60 F 0.59382175831979 0.97996897875135 0.14936646558188 18.998 > 57 61 F 0.40617824168021 0.22996897875135 0.85063353441812 18.998 > 61 62 F 0.90617824168021 0.22996897875135 0.85063353441812 18.998 > 61 63 F 0.40617824168021 0.72996897875135 0.85063353441812 18.998 > 61 64 F 0.90617824168021 0.72996897875135 0.85063353441812 18.998 > 61 65 F 0.15617824168021 0.02003102124865 0.64936646558188 18.998 > 65 66 F 0.65617824168021 0.02003102124865 0.64936646558188 18.998 > 65 67 F 0.15617824168021 0.52003102124865 0.64936646558188 18.998 > 65 68 F 0.65617824168021 0.52003102124865 0.64936646558188 18.998 > 65 69 F 0.34382175831979 0.27003102124865 0.35063353441812 18.998 > 69 70 F 0.84382175831979 0.27003102124865 0.35063353441812 18.998 > 69 71 F 0.34382175831979 0.77003102124865 0.35063353441812 18.998 > 69 72 F 0.84382175831979 0.77003102124865 0.35063353441812 18.998 > 69 73 F 0.09382175831979 0.27003102124865 0.14936646558188 18.998 > 73 74 F 0.59382175831979 0.27003102124865 0.14936646558188 18.998 > 73 75 F 0.09382175831979 0.77003102124865 0.14936646558188 18.998 > 73 76 F 0.59382175831979 0.77003102124865 0.14936646558188 18.998 > 73 77 F 0.40617824168021 0.02003102124865 0.85063353441812 18.998 > 77 78 F 0.90617824168021 0.02003102124865 0.85063353441812 18.998 > 77 79 F 0.40617824168021 0.52003102124865 0.85063353441812 18.998 > 77 80 F 0.90617824168021 0.52003102124865 0.85063353441812 18.998 > 77 81 Cs 0.25731038182233 0.37500000000000 0.81193545183784 132.905 > 81 82 Cs 0.75731038182233 0.37500000000000 0.81193545183784 132.905 > 81 83 Cs 0.25731038182233 0.87500000000000 0.81193545183784 132.905 > 81 84 Cs 0.75731038182233 0.87500000000000 0.81193545183784 132.905 > 81 85 Cs 0.24268961817767 0.12500000000000 0.18806454816216 132.905 > 85 86 Cs 0.74268961817767 0.12500000000000 0.18806454816216 132.905 > 85 87 Cs 0.24268961817767 0.62500000000000 0.18806454816216 132.905 > 85 88 Cs 0.74268961817767 0.62500000000000 0.18806454816216 132.905 > 85 89 Cs 0.49268961817767 0.12500000000000 0.31193545183784 132.905 > 89 90 Cs 0.99268961817767 0.12500000000000 0.31193545183784 132.905 > 89 91 Cs 0.49268961817767 0.62500000000000 0.31193545183784 132.905 > 89 92 Cs 0.99268961817767 0.62500000000000 0.31193545183784 132.905 > 89 93 Cs 0.00731038182233 0.37500000000000 0.68806454816216 132.905 > 93 94 Cs 0.50731038182233 0.37500000000000 0.68806454816216 132.905 > 93 95 Cs 0.00731038182233 0.87500000000000 0.68806454816216 132.905 > 93 96 Cs 0.50731038182233 0.87500000000000 0.68806454816216 132.905 > 93 97 Cs 0.33118105477038 0.12500000000000 0.59496803178732 132.905 > 97 98 Cs 0.83118105477038 0.12500000000000 0.59496803178732 132.905 > 97 99 Cs 0.33118105477038 0.62500000000000 0.59496803178732 132.905 > 97 100 Cs 0.83118105477038 0.62500000000000 0.59496803178732 132.905 > 97 101 Cs 0.16881894522962 0.37500000000000 0.40503196821268 132.905 > 101 102 Cs 0.66881894522962 0.37500000000000 0.40503196821268 132.905 > 101 103 Cs 0.16881894522962 0.87500000000000 0.40503196821268 132.905 > 101 104 Cs 0.66881894522962 0.87500000000000 0.40503196821268 132.905 > 101 105 Cs 0.41881894522962 0.37500000000000 0.09496803178732 132.905 > 105 106 Cs 0.91881894522962 0.37500000000000 0.09496803178732 132.905 > 105 107 Cs 0.41881894522962 0.87500000000000 0.09496803178732 132.905 > 105 108 Cs 0.91881894522962 0.87500000000000 0.09496803178732 132.905 > 105 109 Cs 0.08118105477038 0.12500000000000 0.90503196821268 132.905 > 109 110 Cs 0.58118105477038 0.12500000000000 0.90503196821268 132.905 > 109 111 Cs 0.08118105477038 0.62500000000000 0.90503196821268 132.905 > 109 112 Cs 0.58118105477038 0.62500000000000 0.90503196821268 132.905 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2959600 0.0000000 0.0000000 0.0000000 2.2910446 0.0000000 0.0000000 0.0000000 2.2909071 -------------------------- Born effective charges -------------------------- 1 Be 1.7568882 0.0000000 -0.0197338 0.0000000 1.7744004 0.0000000 -0.0215721 0.0000000 1.7727962 2 Be 1.7568882 0.0000000 0.0197338 0.0000000 1.7744004 0.0000000 0.0215721 0.0000000 1.7727962 3 Be 1.7568882 0.0000000 0.0197338 0.0000000 1.7744004 0.0000000 0.0215721 0.0000000 1.7727962 4 Be 1.7568882 0.0000000 -0.0197338 0.0000000 1.7744004 0.0000000 -0.0215721 0.0000000 1.7727962 5 F -1.3566362 0.0000000 0.0275630 0.0000000 -0.9388141 0.0000000 0.0253727 0.0000000 -1.0064704 6 F -1.3566362 0.0000000 0.0275630 0.0000000 -0.9388141 0.0000000 0.0253727 0.0000000 -1.0064704 7 F -1.3566362 0.0000000 -0.0275630 0.0000000 -0.9388141 0.0000000 -0.0253727 0.0000000 -1.0064704 8 F -1.3566362 0.0000000 -0.0275630 0.0000000 -0.9388141 0.0000000 -0.0253727 0.0000000 -1.0064704 9 F -1.0175980 0.0000000 -0.0671058 0.0000000 -1.0274261 0.0000000 -0.0780783 0.0000000 -1.3421688 10 F -1.0175980 0.0000000 0.0671058 0.0000000 -1.0274261 0.0000000 0.0780783 0.0000000 -1.3421688 11 F -1.0175980 0.0000000 -0.0671058 0.0000000 -1.0274261 0.0000000 -0.0780783 0.0000000 -1.3421688 12 F -1.0175980 0.0000000 0.0671058 0.0000000 -1.0274261 0.0000000 0.0780783 0.0000000 -1.3421688 13 F -1.0732267 -0.0888505 -0.0446269 -0.0914910 -1.2511701 -0.1740264 -0.0458356 -0.1687390 -1.0550394 14 F -1.0732267 0.0888505 -0.0446269 0.0914910 -1.2511701 0.1740264 -0.0458356 0.1687390 -1.0550394 15 F -1.0732267 0.0888505 0.0446269 0.0914910 -1.2511701 -0.1740264 0.0458356 -0.1687390 -1.0550394 16 F -1.0732267 -0.0888505 0.0446269 -0.0914910 -1.2511701 0.1740264 0.0458356 0.1687390 -1.0550394 17 F -1.0732267 0.0888505 -0.0446269 0.0914910 -1.2511701 0.1740264 -0.0458356 0.1687390 -1.0550394 18 F -1.0732267 -0.0888505 -0.0446269 -0.0914910 -1.2511701 -0.1740264 -0.0458356 -0.1687390 -1.0550394 19 F -1.0732267 -0.0888505 0.0446269 -0.0914910 -1.2511701 0.1740264 0.0458356 0.1687390 -1.0550394 20 F -1.0732267 0.0888505 0.0446269 0.0914910 -1.2511701 -0.1740264 0.0458356 -0.1687390 -1.0550394 21 Cs 1.4055119 0.0000000 -0.0041695 0.0000000 1.3188014 0.0000000 0.0019225 0.0000000 1.3522238 22 Cs 1.4055119 0.0000000 -0.0041695 0.0000000 1.3188014 0.0000000 0.0019225 0.0000000 1.3522238 23 Cs 1.4055119 0.0000000 0.0041695 0.0000000 1.3188014 0.0000000 -0.0019225 0.0000000 1.3522238 24 Cs 1.4055119 0.0000000 0.0041695 0.0000000 1.3188014 0.0000000 -0.0019225 0.0000000 1.3522238 25 Cs 1.3582873 0.0000000 0.0273342 0.0000000 1.3753787 0.0000000 0.0317316 0.0000000 1.3336979 26 Cs 1.3582873 0.0000000 0.0273342 0.0000000 1.3753787 0.0000000 0.0317316 0.0000000 1.3336979 27 Cs 1.3582873 0.0000000 -0.0273342 0.0000000 1.3753787 0.0000000 -0.0317316 0.0000000 1.3336979 28 Cs 1.3582873 0.0000000 -0.0273342 0.0000000 1.3753787 0.0000000 -0.0317316 0.0000000 1.3336979 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:37:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:37:26]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.084106580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.091406290000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.638118400000000 Atomic positions (fractional): 1 Be 0.75756904609513 0.75000000000000 0.41684825288709 9.012 2 Be 0.74243095390487 0.25000000000000 0.91684825288709 9.012 3 Be 0.25756904609513 0.75000000000000 0.08315174711291 9.012 4 Be 0.24243095390487 0.25000000000000 0.58315174711291 9.012 5 F 0.55002480921728 0.25000000000000 0.90902208229955 18.998 6 F 0.44997519078272 0.75000000000000 0.09097791770045 18.998 7 F 0.94997519078272 0.75000000000000 0.40902208229955 18.998 8 F 0.05002480921728 0.25000000000000 0.59097791770045 18.998 9 F 0.19475225601804 0.75000000000000 0.94333492452967 18.998 10 F 0.69475225601805 0.75000000000000 0.55666507547033 18.998 11 F 0.80524774398195 0.25000000000000 0.05666507547033 18.998 12 F 0.30524774398195 0.25000000000000 0.44333492452967 18.998 13 F 0.31235648336042 0.45993795750270 0.64936646558188 18.998 14 F 0.68764351663958 0.95993795750270 0.35063353441812 18.998 15 F 0.18764351663958 0.95993795750270 0.14936646558188 18.998 16 F 0.81235648336042 0.45993795750270 0.85063353441812 18.998 17 F 0.31235648336042 0.04006204249730 0.64936646558188 18.998 18 F 0.68764351663958 0.54006204249730 0.35063353441812 18.998 19 F 0.18764351663958 0.54006204249730 0.14936646558188 18.998 20 F 0.81235648336042 0.04006204249730 0.85063353441812 18.998 21 Cs 0.51462076364465 0.75000000000000 0.81193545183784 132.905 22 Cs 0.48537923635535 0.25000000000000 0.18806454816216 132.905 23 Cs 0.98537923635535 0.25000000000000 0.31193545183784 132.905 24 Cs 0.01462076364465 0.75000000000000 0.68806454816216 132.905 25 Cs 0.66236210954076 0.25000000000000 0.59496803178732 132.905 26 Cs 0.33763789045924 0.75000000000000 0.40503196821268 132.905 27 Cs 0.83763789045924 0.75000000000000 0.09496803178732 132.905 28 Cs 0.16236210954076 0.25000000000000 0.90503196821268 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.168213160000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.182812580000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.638118400000000 Atomic positions (fractional): 1 Be 0.37878452304757 0.37500000000000 0.41684825288709 9.012 > 1 2 Be 0.87878452304757 0.37500000000000 0.41684825288709 9.012 > 1 3 Be 0.37878452304757 0.87500000000000 0.41684825288709 9.012 > 1 4 Be 0.87878452304757 0.87500000000000 0.41684825288709 9.012 > 1 5 Be 0.37121547695243 0.12500000000000 0.91684825288709 9.012 > 5 6 Be 0.87121547695243 0.12500000000000 0.91684825288709 9.012 > 5 7 Be 0.37121547695243 0.62500000000000 0.91684825288709 9.012 > 5 8 Be 0.87121547695243 0.62500000000000 0.91684825288709 9.012 > 5 9 Be 0.12878452304757 0.37500000000000 0.08315174711291 9.012 > 9 10 Be 0.62878452304757 0.37500000000000 0.08315174711291 9.012 > 9 11 Be 0.12878452304757 0.87500000000000 0.08315174711291 9.012 > 9 12 Be 0.62878452304757 0.87500000000000 0.08315174711291 9.012 > 9 13 Be 0.12121547695243 0.12500000000000 0.58315174711291 9.012 > 13 14 Be 0.62121547695243 0.12500000000000 0.58315174711291 9.012 > 13 15 Be 0.12121547695243 0.62500000000000 0.58315174711291 9.012 > 13 16 Be 0.62121547695243 0.62500000000000 0.58315174711291 9.012 > 13 17 F 0.27501240460864 0.12500000000000 0.90902208229955 18.998 > 17 18 F 0.77501240460864 0.12500000000000 0.90902208229955 18.998 > 17 19 F 0.27501240460864 0.62500000000000 0.90902208229955 18.998 > 17 20 F 0.77501240460864 0.62500000000000 0.90902208229955 18.998 > 17 21 F 0.22498759539136 0.37500000000000 0.09097791770045 18.998 > 21 22 F 0.72498759539136 0.37500000000000 0.09097791770045 18.998 > 21 23 F 0.22498759539136 0.87500000000000 0.09097791770045 18.998 > 21 24 F 0.72498759539136 0.87500000000000 0.09097791770045 18.998 > 21 25 F 0.47498759539136 0.37500000000000 0.40902208229955 18.998 > 25 26 F 0.97498759539136 0.37500000000000 0.40902208229955 18.998 > 25 27 F 0.47498759539136 0.87500000000000 0.40902208229955 18.998 > 25 28 F 0.97498759539136 0.87500000000000 0.40902208229955 18.998 > 25 29 F 0.02501240460864 0.12500000000000 0.59097791770045 18.998 > 29 30 F 0.52501240460864 0.12500000000000 0.59097791770045 18.998 > 29 31 F 0.02501240460864 0.62500000000000 0.59097791770045 18.998 > 29 32 F 0.52501240460864 0.62500000000000 0.59097791770045 18.998 > 29 33 F 0.09737612800902 0.37500000000000 0.94333492452967 18.998 > 33 34 F 0.59737612800902 0.37500000000000 0.94333492452967 18.998 > 33 35 F 0.09737612800902 0.87500000000000 0.94333492452967 18.998 > 33 36 F 0.59737612800902 0.87500000000000 0.94333492452967 18.998 > 33 37 F 0.34737612800902 0.37500000000000 0.55666507547033 18.998 > 37 38 F 0.84737612800902 0.37500000000000 0.55666507547033 18.998 > 37 39 F 0.34737612800902 0.87500000000000 0.55666507547033 18.998 > 37 40 F 0.84737612800902 0.87500000000000 0.55666507547033 18.998 > 37 41 F 0.40262387199098 0.12500000000000 0.05666507547033 18.998 > 41 42 F 0.90262387199098 0.12500000000000 0.05666507547033 18.998 > 41 43 F 0.40262387199098 0.62500000000000 0.05666507547033 18.998 > 41 44 F 0.90262387199098 0.62500000000000 0.05666507547033 18.998 > 41 45 F 0.15262387199098 0.12500000000000 0.44333492452967 18.998 > 45 46 F 0.65262387199098 0.12500000000000 0.44333492452967 18.998 > 45 47 F 0.15262387199098 0.62500000000000 0.44333492452967 18.998 > 45 48 F 0.65262387199098 0.62500000000000 0.44333492452967 18.998 > 45 49 F 0.15617824168021 0.22996897875135 0.64936646558188 18.998 > 49 50 F 0.65617824168021 0.22996897875135 0.64936646558188 18.998 > 49 51 F 0.15617824168021 0.72996897875135 0.64936646558188 18.998 > 49 52 F 0.65617824168021 0.72996897875135 0.64936646558188 18.998 > 49 53 F 0.34382175831979 0.47996897875135 0.35063353441812 18.998 > 53 54 F 0.84382175831979 0.47996897875135 0.35063353441812 18.998 > 53 55 F 0.34382175831979 0.97996897875135 0.35063353441812 18.998 > 53 56 F 0.84382175831979 0.97996897875135 0.35063353441812 18.998 > 53 57 F 0.09382175831979 0.47996897875135 0.14936646558188 18.998 > 57 58 F 0.59382175831979 0.47996897875135 0.14936646558188 18.998 > 57 59 F 0.09382175831979 0.97996897875135 0.14936646558188 18.998 > 57 60 F 0.59382175831979 0.97996897875135 0.14936646558188 18.998 > 57 61 F 0.40617824168021 0.22996897875135 0.85063353441812 18.998 > 61 62 F 0.90617824168021 0.22996897875135 0.85063353441812 18.998 > 61 63 F 0.40617824168021 0.72996897875135 0.85063353441812 18.998 > 61 64 F 0.90617824168021 0.72996897875135 0.85063353441812 18.998 > 61 65 F 0.15617824168021 0.02003102124865 0.64936646558188 18.998 > 65 66 F 0.65617824168021 0.02003102124865 0.64936646558188 18.998 > 65 67 F 0.15617824168021 0.52003102124865 0.64936646558188 18.998 > 65 68 F 0.65617824168021 0.52003102124865 0.64936646558188 18.998 > 65 69 F 0.34382175831979 0.27003102124865 0.35063353441812 18.998 > 69 70 F 0.84382175831979 0.27003102124865 0.35063353441812 18.998 > 69 71 F 0.34382175831979 0.77003102124865 0.35063353441812 18.998 > 69 72 F 0.84382175831979 0.77003102124865 0.35063353441812 18.998 > 69 73 F 0.09382175831979 0.27003102124865 0.14936646558188 18.998 > 73 74 F 0.59382175831979 0.27003102124865 0.14936646558188 18.998 > 73 75 F 0.09382175831979 0.77003102124865 0.14936646558188 18.998 > 73 76 F 0.59382175831979 0.77003102124865 0.14936646558188 18.998 > 73 77 F 0.40617824168021 0.02003102124865 0.85063353441812 18.998 > 77 78 F 0.90617824168021 0.02003102124865 0.85063353441812 18.998 > 77 79 F 0.40617824168021 0.52003102124865 0.85063353441812 18.998 > 77 80 F 0.90617824168021 0.52003102124865 0.85063353441812 18.998 > 77 81 Cs 0.25731038182233 0.37500000000000 0.81193545183784 132.905 > 81 82 Cs 0.75731038182233 0.37500000000000 0.81193545183784 132.905 > 81 83 Cs 0.25731038182233 0.87500000000000 0.81193545183784 132.905 > 81 84 Cs 0.75731038182233 0.87500000000000 0.81193545183784 132.905 > 81 85 Cs 0.24268961817767 0.12500000000000 0.18806454816216 132.905 > 85 86 Cs 0.74268961817767 0.12500000000000 0.18806454816216 132.905 > 85 87 Cs 0.24268961817767 0.62500000000000 0.18806454816216 132.905 > 85 88 Cs 0.74268961817767 0.62500000000000 0.18806454816216 132.905 > 85 89 Cs 0.49268961817767 0.12500000000000 0.31193545183784 132.905 > 89 90 Cs 0.99268961817767 0.12500000000000 0.31193545183784 132.905 > 89 91 Cs 0.49268961817767 0.62500000000000 0.31193545183784 132.905 > 89 92 Cs 0.99268961817767 0.62500000000000 0.31193545183784 132.905 > 89 93 Cs 0.00731038182233 0.37500000000000 0.68806454816216 132.905 > 93 94 Cs 0.50731038182233 0.37500000000000 0.68806454816216 132.905 > 93 95 Cs 0.00731038182233 0.87500000000000 0.68806454816216 132.905 > 93 96 Cs 0.50731038182233 0.87500000000000 0.68806454816216 132.905 > 93 97 Cs 0.33118105477038 0.12500000000000 0.59496803178732 132.905 > 97 98 Cs 0.83118105477038 0.12500000000000 0.59496803178732 132.905 > 97 99 Cs 0.33118105477038 0.62500000000000 0.59496803178732 132.905 > 97 100 Cs 0.83118105477038 0.62500000000000 0.59496803178732 132.905 > 97 101 Cs 0.16881894522962 0.37500000000000 0.40503196821268 132.905 > 101 102 Cs 0.66881894522962 0.37500000000000 0.40503196821268 132.905 > 101 103 Cs 0.16881894522962 0.87500000000000 0.40503196821268 132.905 > 101 104 Cs 0.66881894522962 0.87500000000000 0.40503196821268 132.905 > 101 105 Cs 0.41881894522962 0.37500000000000 0.09496803178732 132.905 > 105 106 Cs 0.91881894522962 0.37500000000000 0.09496803178732 132.905 > 105 107 Cs 0.41881894522962 0.87500000000000 0.09496803178732 132.905 > 105 108 Cs 0.91881894522962 0.87500000000000 0.09496803178732 132.905 > 105 109 Cs 0.08118105477038 0.12500000000000 0.90503196821268 132.905 > 109 110 Cs 0.58118105477038 0.12500000000000 0.90503196821268 132.905 > 109 111 Cs 0.08118105477038 0.62500000000000 0.90503196821268 132.905 > 109 112 Cs 0.58118105477038 0.62500000000000 0.90503196821268 132.905 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2959600 0.0000000 0.0000000 0.0000000 2.2910446 0.0000000 0.0000000 0.0000000 2.2909071 -------------------------- Born effective charges -------------------------- 1 Be 1.7568882 0.0000000 -0.0197338 0.0000000 1.7744004 0.0000000 -0.0215721 0.0000000 1.7727962 2 Be 1.7568882 0.0000000 0.0197338 0.0000000 1.7744004 0.0000000 0.0215721 0.0000000 1.7727962 3 Be 1.7568882 0.0000000 0.0197338 0.0000000 1.7744004 0.0000000 0.0215721 0.0000000 1.7727962 4 Be 1.7568882 0.0000000 -0.0197338 0.0000000 1.7744004 0.0000000 -0.0215721 0.0000000 1.7727962 5 F -1.3566362 0.0000000 0.0275630 0.0000000 -0.9388141 0.0000000 0.0253727 0.0000000 -1.0064704 6 F -1.3566362 0.0000000 0.0275630 0.0000000 -0.9388141 0.0000000 0.0253727 0.0000000 -1.0064704 7 F -1.3566362 0.0000000 -0.0275630 0.0000000 -0.9388141 0.0000000 -0.0253727 0.0000000 -1.0064704 8 F -1.3566362 0.0000000 -0.0275630 0.0000000 -0.9388141 0.0000000 -0.0253727 0.0000000 -1.0064704 9 F -1.0175980 0.0000000 -0.0671058 0.0000000 -1.0274261 0.0000000 -0.0780783 0.0000000 -1.3421688 10 F -1.0175980 0.0000000 0.0671058 0.0000000 -1.0274261 0.0000000 0.0780783 0.0000000 -1.3421688 11 F -1.0175980 0.0000000 -0.0671058 0.0000000 -1.0274261 0.0000000 -0.0780783 0.0000000 -1.3421688 12 F -1.0175980 0.0000000 0.0671058 0.0000000 -1.0274261 0.0000000 0.0780783 0.0000000 -1.3421688 13 F -1.0732267 -0.0888505 -0.0446269 -0.0914910 -1.2511701 -0.1740264 -0.0458356 -0.1687390 -1.0550394 14 F -1.0732267 0.0888505 -0.0446269 0.0914910 -1.2511701 0.1740264 -0.0458356 0.1687390 -1.0550394 15 F -1.0732267 0.0888505 0.0446269 0.0914910 -1.2511701 -0.1740264 0.0458356 -0.1687390 -1.0550394 16 F -1.0732267 -0.0888505 0.0446269 -0.0914910 -1.2511701 0.1740264 0.0458356 0.1687390 -1.0550394 17 F -1.0732267 0.0888505 -0.0446269 0.0914910 -1.2511701 0.1740264 -0.0458356 0.1687390 -1.0550394 18 F -1.0732267 -0.0888505 -0.0446269 -0.0914910 -1.2511701 -0.1740264 -0.0458356 -0.1687390 -1.0550394 19 F -1.0732267 -0.0888505 0.0446269 -0.0914910 -1.2511701 0.1740264 0.0458356 0.1687390 -1.0550394 20 F -1.0732267 0.0888505 0.0446269 0.0914910 -1.2511701 -0.1740264 0.0458356 -0.1687390 -1.0550394 21 Cs 1.4055119 0.0000000 -0.0041695 0.0000000 1.3188014 0.0000000 0.0019225 0.0000000 1.3522238 22 Cs 1.4055119 0.0000000 -0.0041695 0.0000000 1.3188014 0.0000000 0.0019225 0.0000000 1.3522238 23 Cs 1.4055119 0.0000000 0.0041695 0.0000000 1.3188014 0.0000000 -0.0019225 0.0000000 1.3522238 24 Cs 1.4055119 0.0000000 0.0041695 0.0000000 1.3188014 0.0000000 -0.0019225 0.0000000 1.3522238 25 Cs 1.3582873 0.0000000 0.0273342 0.0000000 1.3753787 0.0000000 0.0317316 0.0000000 1.3336979 26 Cs 1.3582873 0.0000000 0.0273342 0.0000000 1.3753787 0.0000000 0.0317316 0.0000000 1.3336979 27 Cs 1.3582873 0.0000000 -0.0273342 0.0000000 1.3753787 0.0000000 -0.0317316 0.0000000 1.3336979 28 Cs 1.3582873 0.0000000 -0.0273342 0.0000000 1.3753787 0.0000000 -0.0317316 0.0000000 1.3336979 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 305, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.292 ( 0.000 0.000 0.000) 0.000 1.311 ( 0.000 0.000 0.000) 0.000 1.324 ( 0.000 0.000 0.000) 0.000 1.445 ( 0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.722 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.772 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.830 ( 0.000 0.000 0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.212 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.146 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.273 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 10.524 ( 0.000 0.000 0.000) 0.000 10.538 ( 0.000 0.000 0.000) 0.000 10.548 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.704 ( 0.000 0.000 0.000) 0.000 10.741 ( 0.000 0.000 0.000) 0.000 10.785 ( 0.000 0.000 0.000) 0.000 10.786 ( 0.000 0.000 0.000) 0.000 10.803 ( 0.000 0.000 0.000) 0.000 10.819 ( 0.000 0.000 0.000) 0.000 10.846 ( 0.000 0.000 0.000) 0.000 11.016 ( 0.000 0.000 0.000) 0.000 15.809 ( 0.000 0.000 0.000) 0.000 15.831 ( 0.000 0.000 0.000) 0.000 15.840 ( 0.000 0.000 0.000) 0.000 15.859 ( 0.000 0.000 0.000) 0.000 23.098 ( 0.000 0.000 0.000) 0.000 23.200 ( 0.000 0.000 0.000) 0.000 23.398 ( 0.000 0.000 0.000) 0.000 23.416 ( 0.000 0.000 0.000) 0.000 23.437 ( 0.000 0.000 0.000) 0.000 23.440 ( 0.000 0.000 0.000) 0.000 23.473 ( 0.000 0.000 0.000) 0.000 23.810 ( 0.000 0.000 0.000) 0.000 24.079 ( 0.000 0.000 0.000) 0.000 24.194 ( 0.000 0.000 0.000) 0.000 24.523 ( 0.000 0.000 0.000) 0.000 24.722 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 16.334 0.000 0.000) 16.334 0.357 ( 16.989 0.000 0.000) 16.989 0.619 ( 28.990 0.000 0.000) 28.990 1.199 ( -0.181 0.000 0.000) 0.181 1.290 ( -3.641 0.000 0.000) 3.641 1.308 ( 1.490 0.000 0.000) 1.490 1.308 ( -0.151 0.000 0.000) 0.151 1.435 ( -0.664 0.000 0.000) 0.664 1.448 ( 0.088 0.000 0.000) 0.088 1.488 ( -1.518 0.000 0.000) 1.518 1.581 ( -0.307 0.000 0.000) 0.307 1.602 ( 1.997 0.000 0.000) 1.997 1.638 ( -7.096 0.000 0.000) 7.096 1.740 ( 1.957 0.000 0.000) 1.957 1.751 ( -0.949 0.000 0.000) 0.949 1.761 ( -2.967 0.000 0.000) 2.967 1.860 ( 2.086 0.000 0.000) 2.086 1.885 ( 1.970 0.000 0.000) 1.970 1.950 ( 0.316 0.000 0.000) 0.316 1.963 ( 0.122 0.000 0.000) 0.122 2.136 ( -1.322 0.000 0.000) 1.322 2.167 ( -3.455 0.000 0.000) 3.455 2.182 ( -4.279 0.000 0.000) 4.279 2.189 ( 9.370 0.000 0.000) 9.370 2.354 ( 4.134 0.000 0.000) 4.134 2.381 ( 0.957 0.000 0.000) 0.957 2.462 ( 1.923 0.000 0.000) 1.923 2.521 ( -9.029 0.000 0.000) 9.029 2.624 ( 0.431 0.000 0.000) 0.431 2.664 ( 0.943 0.000 0.000) 0.943 2.894 ( 3.192 0.000 0.000) 3.192 2.912 ( 0.110 0.000 0.000) 0.110 2.993 ( 0.592 0.000 0.000) 0.592 3.000 ( -1.267 0.000 0.000) 1.267 3.055 ( -1.514 0.000 0.000) 1.514 3.200 ( 3.553 0.000 0.000) 3.553 3.211 ( -4.109 0.000 0.000) 4.109 3.220 ( 0.766 0.000 0.000) 0.766 3.298 ( -0.483 0.000 0.000) 0.483 3.341 ( 0.404 0.000 0.000) 0.404 3.346 ( 1.284 0.000 0.000) 1.284 3.378 ( -0.130 0.000 0.000) 0.130 3.433 ( -3.764 0.000 0.000) 3.764 3.521 ( -1.855 0.000 0.000) 1.855 3.730 ( 7.316 0.000 0.000) 7.316 4.123 ( -2.327 0.000 0.000) 2.327 4.137 ( 10.764 0.000 0.000) 10.764 5.230 ( -6.882 0.000 0.000) 6.882 7.039 ( 1.501 0.000 0.000) 1.501 7.150 ( 0.689 0.000 0.000) 0.689 7.154 ( 0.751 0.000 0.000) 0.751 7.208 ( 4.093 0.000 0.000) 4.093 7.235 ( -1.783 0.000 0.000) 1.783 7.264 ( -0.863 0.000 0.000) 0.863 7.276 ( -0.939 0.000 0.000) 0.939 7.527 ( -0.863 0.000 0.000) 0.863 10.500 ( -1.312 0.000 0.000) 1.312 10.542 ( 0.224 0.000 0.000) 0.224 10.575 ( 1.700 0.000 0.000) 1.700 10.651 ( 0.706 0.000 0.000) 0.706 10.707 ( 0.288 0.000 0.000) 0.288 10.740 ( -0.151 0.000 0.000) 0.151 10.765 ( -4.043 0.000 0.000) 4.043 10.786 ( 0.075 0.000 0.000) 0.075 10.801 ( -0.182 0.000 0.000) 0.182 10.828 ( -1.551 0.000 0.000) 1.551 10.875 ( -1.187 0.000 0.000) 1.187 10.966 ( -4.394 0.000 0.000) 4.394 15.811 ( 0.245 0.000 0.000) 0.245 15.837 ( -0.192 0.000 0.000) 0.192 15.843 ( 1.008 0.000 0.000) 1.008 15.869 ( 0.709 0.000 0.000) 0.709 23.103 ( 0.461 0.000 0.000) 0.461 23.187 ( -1.118 0.000 0.000) 1.118 23.394 ( 0.635 0.000 0.000) 0.635 23.419 ( 0.264 0.000 0.000) 0.264 23.437 ( -0.043 0.000 0.000) 0.043 23.441 ( 0.098 0.000 0.000) 0.098 23.470 ( -0.283 0.000 0.000) 0.283 24.091 ( -8.941 0.000 0.000) 8.941 24.205 ( 10.468 0.000 0.000) 10.468 24.523 ( 3.424 0.000 0.000) 3.424 24.778 ( 5.231 0.000 0.000) 5.231 25.367 ( -3.001 0.000 0.000) 3.001 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 14.854 0.000 0.000) 14.854 0.693 ( 15.415 0.000 0.000) 15.415 1.149 ( 14.399 0.000 0.000) 14.399 1.163 ( 0.707 0.000 0.000) 0.707 1.165 ( -8.428 0.000 0.000) 8.428 1.309 ( 0.267 0.000 0.000) 0.267 1.350 ( 2.537 0.000 0.000) 2.537 1.444 ( -0.948 0.000 0.000) 0.948 1.447 ( -2.085 0.000 0.000) 2.085 1.449 ( 3.044 0.000 0.000) 3.044 1.473 ( -3.786 0.000 0.000) 3.786 1.581 ( 0.840 0.000 0.000) 0.840 1.687 ( 3.608 0.000 0.000) 3.608 1.691 ( -3.570 0.000 0.000) 3.570 1.745 ( 0.047 0.000 0.000) 0.047 1.801 ( 3.686 0.000 0.000) 3.686 1.892 ( 0.380 0.000 0.000) 0.380 1.937 ( -1.765 0.000 0.000) 1.765 1.946 ( 3.336 0.000 0.000) 3.336 1.962 ( 0.162 0.000 0.000) 0.162 2.085 ( -4.721 0.000 0.000) 4.721 2.108 ( -1.122 0.000 0.000) 1.122 2.114 ( -1.654 0.000 0.000) 1.654 2.230 ( -15.644 0.000 0.000) 15.644 2.381 ( 8.399 0.000 0.000) 8.399 2.405 ( 1.250 0.000 0.000) 1.250 2.417 ( 1.681 0.000 0.000) 1.681 2.533 ( 1.703 0.000 0.000) 1.703 2.646 ( 1.672 0.000 0.000) 1.672 2.683 ( 0.656 0.000 0.000) 0.656 2.915 ( 0.296 0.000 0.000) 0.296 2.957 ( 2.580 0.000 0.000) 2.580 2.965 ( -1.948 0.000 0.000) 1.948 3.005 ( 0.388 0.000 0.000) 0.388 3.046 ( 0.503 0.000 0.000) 0.503 3.130 ( -3.556 0.000 0.000) 3.556 3.241 ( 1.151 0.000 0.000) 1.151 3.248 ( 1.290 0.000 0.000) 1.290 3.284 ( -0.823 0.000 0.000) 0.823 3.335 ( -2.186 0.000 0.000) 2.186 3.352 ( 0.592 0.000 0.000) 0.592 3.374 ( -0.351 0.000 0.000) 0.351 3.411 ( 1.275 0.000 0.000) 1.275 3.484 ( -1.546 0.000 0.000) 1.546 3.868 ( 6.004 0.000 0.000) 6.004 4.060 ( -3.595 0.000 0.000) 3.595 4.418 ( 15.432 0.000 0.000) 15.432 5.029 ( -12.221 0.000 0.000) 12.221 7.078 ( 2.256 0.000 0.000) 2.256 7.170 ( 1.204 0.000 0.000) 1.204 7.176 ( 1.251 0.000 0.000) 1.251 7.187 ( -2.686 0.000 0.000) 2.686 7.240 ( -1.327 0.000 0.000) 1.327 7.250 ( -1.492 0.000 0.000) 1.492 7.314 ( 5.618 0.000 0.000) 5.618 7.494 ( -2.508 0.000 0.000) 2.508 10.484 ( -0.073 0.000 0.000) 0.073 10.536 ( -1.090 0.000 0.000) 1.090 10.609 ( 1.496 0.000 0.000) 1.496 10.654 ( -1.197 0.000 0.000) 1.197 10.711 ( 0.427 0.000 0.000) 0.427 10.715 ( 0.485 0.000 0.000) 0.485 10.734 ( -0.351 0.000 0.000) 0.351 10.788 ( 0.135 0.000 0.000) 0.135 10.794 ( -1.317 0.000 0.000) 1.317 10.796 ( -0.240 0.000 0.000) 0.240 10.834 ( -2.485 0.000 0.000) 2.485 10.859 ( -5.351 0.000 0.000) 5.351 15.819 ( 0.500 0.000 0.000) 0.500 15.834 ( -0.156 0.000 0.000) 0.156 15.865 ( 1.001 0.000 0.000) 1.001 15.881 ( 0.338 0.000 0.000) 0.338 23.116 ( 0.839 0.000 0.000) 0.839 23.161 ( -1.280 0.000 0.000) 1.280 23.425 ( 0.358 0.000 0.000) 0.358 23.435 ( -0.113 0.000 0.000) 0.113 23.444 ( 0.261 0.000 0.000) 0.261 23.456 ( 5.723 0.000 0.000) 5.723 23.462 ( -0.471 0.000 0.000) 0.471 23.866 ( -12.056 0.000 0.000) 12.056 24.429 ( 9.680 0.000 0.000) 9.680 24.583 ( 1.683 0.000 0.000) 1.683 24.926 ( 8.716 0.000 0.000) 8.716 25.272 ( -6.242 0.000 0.000) 6.242 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -12.310 0.000 0.000) 12.310 0.949 ( 12.310 0.000 0.000) 12.310 0.981 ( -12.053 0.000 0.000) 12.053 0.981 ( 12.053 0.000 0.000) 12.053 1.311 ( -0.690 0.000 0.000) 0.690 1.311 ( 0.690 0.000 0.000) 0.690 1.405 ( -2.547 0.000 0.000) 2.547 1.405 ( 2.547 0.000 0.000) 2.547 1.418 ( -0.257 0.000 0.000) 0.257 1.418 ( 0.257 0.000 0.000) 0.257 1.622 ( -2.909 0.000 0.000) 2.909 1.622 ( 2.909 0.000 0.000) 2.909 1.725 ( -6.291 0.000 0.000) 6.291 1.725 ( 6.291 0.000 0.000) 6.291 1.766 ( -12.019 0.000 0.000) 12.019 1.766 ( 12.019 0.000 0.000) 12.019 1.879 ( -3.594 0.000 0.000) 3.594 1.879 ( 3.594 0.000 0.000) 3.594 1.972 ( -2.478 0.000 0.000) 2.478 1.972 ( 2.478 0.000 0.000) 2.478 2.025 ( -4.096 0.000 0.000) 4.096 2.025 ( 4.096 0.000 0.000) 4.096 2.097 ( -0.093 0.000 0.000) 0.093 2.097 ( 0.093 0.000 0.000) 0.093 2.426 ( -0.521 0.000 0.000) 0.521 2.426 ( 0.521 0.000 0.000) 0.521 2.512 ( -3.934 0.000 0.000) 3.934 2.512 ( 3.934 0.000 0.000) 3.934 2.680 ( -1.128 0.000 0.000) 1.128 2.680 ( 1.128 0.000 0.000) 1.128 2.930 ( -1.226 0.000 0.000) 1.226 2.930 ( 1.226 0.000 0.000) 1.226 2.998 ( -1.231 0.000 0.000) 1.231 2.998 ( 1.231 0.000 0.000) 1.231 3.072 ( -2.016 0.000 0.000) 2.016 3.072 ( 2.016 0.000 0.000) 2.016 3.264 ( -1.099 0.000 0.000) 1.099 3.264 ( 1.099 0.000 0.000) 1.099 3.282 ( -2.333 0.000 0.000) 2.333 3.282 ( 2.333 0.000 0.000) 2.333 3.364 ( -0.561 0.000 0.000) 0.561 3.364 ( 0.561 0.000 0.000) 0.561 3.450 ( -1.938 0.000 0.000) 1.938 3.450 ( 1.938 0.000 0.000) 1.938 3.977 ( -4.557 0.000 0.000) 4.557 3.977 ( 4.557 0.000 0.000) 4.557 4.741 ( -15.334 0.000 0.000) 15.334 4.741 ( 15.334 0.000 0.000) 15.334 7.130 ( -2.727 0.000 0.000) 2.727 7.130 ( 2.727 0.000 0.000) 2.727 7.193 ( -0.404 0.000 0.000) 0.404 7.193 ( 0.404 0.000 0.000) 0.404 7.223 ( -0.519 0.000 0.000) 0.519 7.223 ( 0.519 0.000 0.000) 0.519 7.421 ( -4.510 0.000 0.000) 4.510 7.421 ( 4.510 0.000 0.000) 4.510 10.501 ( -1.693 0.000 0.000) 1.693 10.501 ( 1.693 0.000 0.000) 1.693 10.632 ( -0.797 0.000 0.000) 0.797 10.632 ( 0.797 0.000 0.000) 0.797 10.725 ( -0.506 0.000 0.000) 0.506 10.725 ( 0.506 0.000 0.000) 0.506 10.760 ( -3.528 0.000 0.000) 3.528 10.760 ( 3.528 0.000 0.000) 3.528 10.791 ( -0.195 0.000 0.000) 0.195 10.791 ( 0.195 0.000 0.000) 0.195 10.793 ( -0.869 0.000 0.000) 0.869 10.793 ( 0.869 0.000 0.000) 0.869 15.829 ( -0.365 0.000 0.000) 0.365 15.829 ( 0.365 0.000 0.000) 0.365 15.880 ( -0.405 0.000 0.000) 0.405 15.880 ( 0.405 0.000 0.000) 0.405 23.136 ( -1.091 0.000 0.000) 1.091 23.136 ( 1.091 0.000 0.000) 1.091 23.432 ( -0.237 0.000 0.000) 0.237 23.432 ( 0.237 0.000 0.000) 0.237 23.452 ( -0.461 0.000 0.000) 0.461 23.452 ( 0.461 0.000 0.000) 0.461 23.627 ( -10.460 0.000 0.000) 10.460 23.627 ( 10.460 0.000 0.000) 10.460 24.568 ( -3.592 0.000 0.000) 3.592 24.568 ( 3.592 0.000 0.000) 3.592 25.114 ( -8.865 0.000 0.000) 8.865 25.114 ( 8.865 0.000 0.000) 8.865 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 0.000 16.427 0.000) 16.427 0.366 ( 0.000 17.590 0.000) 17.590 0.628 ( 0.000 29.415 0.000) 29.415 1.208 ( 0.000 1.157 0.000) 1.157 1.261 ( 0.000 -2.317 0.000) 2.317 1.329 ( 0.000 0.360 0.000) 0.360 1.330 ( 0.000 1.887 0.000) 1.887 1.447 ( 0.000 0.133 0.000) 0.133 1.469 ( 0.000 1.709 0.000) 1.709 1.470 ( 0.000 -2.753 0.000) 2.753 1.585 ( 0.000 3.534 0.000) 3.534 1.596 ( 0.000 1.154 0.000) 1.154 1.698 ( 0.000 -2.381 0.000) 2.381 1.732 ( 0.000 -2.388 0.000) 2.388 1.787 ( 0.000 1.260 0.000) 1.260 1.817 ( 0.000 -3.348 0.000) 3.348 1.845 ( 0.000 1.647 0.000) 1.647 1.859 ( 0.000 2.792 0.000) 2.792 1.958 ( 0.000 1.828 0.000) 1.828 2.035 ( 0.000 2.344 0.000) 2.344 2.073 ( 0.000 6.338 0.000) 6.338 2.136 ( 0.000 -6.113 0.000) 6.113 2.279 ( 0.000 3.903 0.000) 3.903 2.317 ( 0.000 1.658 0.000) 1.658 2.348 ( 0.000 1.700 0.000) 1.700 2.392 ( 0.000 2.027 0.000) 2.027 2.431 ( 0.000 -0.062 0.000) 0.062 2.616 ( 0.000 -1.318 0.000) 1.318 2.682 ( 0.000 4.911 0.000) 4.911 2.789 ( 0.000 -4.560 0.000) 4.560 2.832 ( 0.000 4.618 0.000) 4.618 2.939 ( 0.000 1.331 0.000) 1.331 2.984 ( 0.000 0.060 0.000) 0.060 3.030 ( 0.000 1.669 0.000) 1.669 3.106 ( 0.000 0.691 0.000) 0.691 3.129 ( 0.000 -0.150 0.000) 0.150 3.215 ( 0.000 -2.369 0.000) 2.369 3.289 ( 0.000 6.765 0.000) 6.765 3.295 ( 0.000 0.466 0.000) 0.466 3.328 ( 0.000 -0.312 0.000) 0.312 3.399 ( 0.000 -0.309 0.000) 0.309 3.415 ( 0.000 3.665 0.000) 3.665 3.499 ( 0.000 -0.200 0.000) 0.200 3.538 ( 0.000 -0.465 0.000) 0.465 3.605 ( 0.000 0.220 0.000) 0.220 3.961 ( 0.000 -5.139 0.000) 5.139 4.186 ( 0.000 -7.601 0.000) 7.601 4.964 ( 0.000 -6.187 0.000) 6.187 7.012 ( 0.000 -0.498 0.000) 0.498 7.134 ( 0.000 -1.914 0.000) 1.914 7.173 ( 0.000 1.393 0.000) 1.393 7.201 ( 0.000 4.650 0.000) 4.650 7.262 ( 0.000 2.040 0.000) 2.040 7.289 ( 0.000 -0.087 0.000) 0.087 7.336 ( 0.000 4.803 0.000) 4.803 7.528 ( 0.000 -0.347 0.000) 0.347 10.503 ( 0.000 -1.491 0.000) 1.491 10.539 ( 0.000 -0.770 0.000) 0.770 10.541 ( 0.000 0.225 0.000) 0.225 10.616 ( 0.000 -0.059 0.000) 0.059 10.746 ( 0.000 -1.758 0.000) 1.758 10.751 ( 0.000 -2.258 0.000) 2.258 10.755 ( 0.000 3.991 0.000) 3.991 10.760 ( 0.000 -2.361 0.000) 2.361 10.834 ( 0.000 1.915 0.000) 1.915 10.861 ( 0.000 2.212 0.000) 2.212 10.925 ( 0.000 5.434 0.000) 5.434 11.012 ( 0.000 -0.025 0.000) 0.025 15.809 ( 0.000 -0.021 0.000) 0.021 15.830 ( 0.000 -0.054 0.000) 0.054 15.836 ( 0.000 -0.439 0.000) 0.439 15.852 ( 0.000 -0.634 0.000) 0.634 23.094 ( 0.000 -0.216 0.000) 0.216 23.188 ( 0.000 -1.026 0.000) 1.026 23.341 ( 0.000 -3.477 0.000) 3.477 23.475 ( 0.000 2.661 0.000) 2.661 23.502 ( 0.000 2.704 0.000) 2.704 23.508 ( 0.000 4.683 0.000) 4.683 23.839 ( 0.000 2.923 0.000) 2.923 24.076 ( 0.000 -0.157 0.000) 0.157 24.172 ( 0.000 -2.129 0.000) 2.129 24.452 ( 0.000 -6.079 0.000) 6.079 24.665 ( 0.000 -5.333 0.000) 5.333 25.010 ( 0.000 -1.683 0.000) 1.683 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 8.937 10.838 0.000) 14.047 0.491 ( 12.022 11.122 0.000) 16.378 0.917 ( 20.761 21.475 0.000) 29.870 1.206 ( -0.005 0.781 0.000) 0.781 1.263 ( -3.924 -1.051 0.000) 4.063 1.297 ( 2.512 -1.029 0.000) 2.715 1.357 ( -0.271 3.080 0.000) 3.092 1.438 ( -0.502 0.275 0.000) 0.572 1.463 ( -0.520 0.492 0.000) 0.716 1.476 ( 0.618 -0.636 0.000) 0.887 1.584 ( -1.628 -0.122 0.000) 1.632 1.591 ( -0.738 1.292 0.000) 1.488 1.658 ( -3.776 1.330 0.000) 4.004 1.696 ( 0.915 -2.597 0.000) 2.754 1.791 ( -1.539 -2.156 0.000) 2.649 1.794 ( 0.523 2.429 0.000) 2.485 1.866 ( 1.229 0.308 0.000) 1.267 1.877 ( 2.575 1.510 0.000) 2.985 1.962 ( -1.944 4.761 0.000) 5.142 2.011 ( -0.627 2.522 0.000) 2.598 2.103 ( -2.772 -4.310 0.000) 5.125 2.157 ( 4.978 2.878 0.000) 5.750 2.227 ( -2.893 2.935 0.000) 4.121 2.292 ( -0.677 4.910 0.000) 4.956 2.382 ( 3.680 2.181 0.000) 4.277 2.407 ( 1.061 2.254 0.000) 2.492 2.457 ( 2.123 -0.616 0.000) 2.210 2.505 ( -9.341 -1.013 0.000) 9.396 2.677 ( -0.654 4.038 0.000) 4.091 2.759 ( -2.235 7.039 0.000) 7.386 2.830 ( 3.528 -3.659 0.000) 5.083 2.942 ( 0.413 1.243 0.000) 1.310 2.970 ( -0.578 -1.301 0.000) 1.424 3.024 ( -0.624 1.820 0.000) 1.924 3.066 ( -1.398 0.993 0.000) 1.715 3.184 ( -2.984 -1.114 0.000) 3.185 3.187 ( 2.593 -1.193 0.000) 2.855 3.297 ( 0.721 6.285 0.000) 6.326 3.325 ( -0.123 0.072 0.000) 0.143 3.346 ( 1.934 -0.042 0.000) 1.934 3.392 ( -0.607 -1.512 0.000) 1.629 3.411 ( -0.147 5.324 0.000) 5.326 3.440 ( -2.149 3.453 0.000) 4.067 3.543 ( -0.942 1.457 0.000) 1.735 3.712 ( 6.738 -1.349 0.000) 6.872 4.059 ( -5.779 -6.212 0.000) 8.485 4.075 ( 10.385 -5.544 0.000) 11.772 5.044 ( -0.421 -12.411 0.000) 12.418 7.029 ( 1.709 -0.477 0.000) 1.774 7.167 ( 3.133 -2.288 0.000) 3.879 7.172 ( -0.237 0.389 0.000) 0.455 7.205 ( 0.471 4.227 0.000) 4.253 7.252 ( -0.776 3.097 0.000) 3.192 7.286 ( -0.290 0.528 0.000) 0.603 7.351 ( 0.338 5.713 0.000) 5.723 7.516 ( -1.247 -0.708 0.000) 1.434 10.492 ( -0.809 -0.711 0.000) 1.077 10.536 ( -0.133 -0.253 0.000) 0.286 10.551 ( 0.956 -1.671 0.000) 1.925 10.635 ( 1.160 -0.871 0.000) 1.450 10.718 ( -1.942 -1.599 0.000) 2.516 10.719 ( -1.387 -0.505 0.000) 1.476 10.758 ( -1.186 -2.830 0.000) 3.068 10.781 ( 1.319 2.207 0.000) 2.572 10.808 ( -2.875 2.518 0.000) 3.822 10.869 ( 1.275 0.658 0.000) 1.434 10.904 ( -1.871 5.038 0.000) 5.374 10.966 ( -4.068 0.398 0.000) 4.087 15.811 ( 0.246 -0.003 0.000) 0.246 15.833 ( -0.139 -0.383 0.000) 0.408 15.842 ( 0.928 -0.133 0.000) 0.938 15.862 ( 0.720 -0.626 0.000) 0.955 23.097 ( 0.399 -0.299 0.000) 0.499 23.177 ( -0.954 -0.887 0.000) 1.302 23.363 ( 2.139 -2.449 0.000) 3.252 23.465 ( -0.823 2.017 0.000) 2.179 23.484 ( -1.226 3.731 0.000) 3.927 23.503 ( -0.030 3.111 0.000) 3.111 23.647 ( -8.519 12.753 0.000) 15.336 24.096 ( -7.180 0.865 0.000) 7.232 24.194 ( 9.698 -0.861 0.000) 9.736 24.462 ( 2.344 -5.912 0.000) 6.359 24.723 ( 5.401 -5.112 0.000) 7.437 25.172 ( 5.091 -11.611 0.000) 12.678 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 13.461 2.386 0.000) 13.671 0.764 ( 13.535 6.512 0.000) 15.020 1.146 ( -7.963 -1.352 0.000) 8.077 1.183 ( -3.577 2.157 0.000) 4.177 1.306 ( 8.252 9.695 0.000) 12.732 1.336 ( -1.020 2.184 0.000) 2.410 1.336 ( 3.805 0.838 0.000) 3.896 1.441 ( -1.586 0.486 0.000) 1.659 1.486 ( 8.238 3.387 0.000) 8.907 1.487 ( -0.080 2.371 0.000) 2.372 1.497 ( -1.391 2.064 0.000) 2.489 1.591 ( 1.298 0.152 0.000) 1.307 1.656 ( 0.592 -1.322 0.000) 1.449 1.730 ( 1.638 -1.181 0.000) 2.019 1.757 ( -1.067 0.945 0.000) 1.425 1.812 ( 1.381 1.994 0.000) 2.426 1.894 ( -1.222 -1.556 0.000) 1.978 1.927 ( 1.679 2.295 0.000) 2.843 1.928 ( 1.293 2.731 0.000) 3.022 2.001 ( -0.324 2.898 0.000) 2.916 2.042 ( -2.829 -1.835 0.000) 3.372 2.166 ( -4.603 2.097 0.000) 5.059 2.189 ( -0.430 4.533 0.000) 4.553 2.255 ( -11.527 3.567 0.000) 12.066 2.377 ( 6.076 0.324 0.000) 6.085 2.434 ( 1.439 2.471 0.000) 2.859 2.446 ( 1.782 2.088 0.000) 2.745 2.505 ( 0.888 -2.268 0.000) 2.435 2.676 ( 1.226 2.709 0.000) 2.973 2.742 ( -0.406 5.021 0.000) 5.038 2.905 ( 3.281 -1.554 0.000) 3.631 2.955 ( 0.676 0.922 0.000) 1.143 2.959 ( -0.455 -1.100 0.000) 1.191 3.006 ( -1.180 1.035 0.000) 1.569 3.053 ( 0.058 0.755 0.000) 0.758 3.118 ( -3.089 -0.481 0.000) 3.126 3.221 ( 1.399 -2.320 0.000) 2.709 3.315 ( -0.980 0.093 0.000) 0.985 3.316 ( 0.986 5.072 0.000) 5.167 3.353 ( -1.090 1.329 0.000) 1.719 3.396 ( 0.785 0.400 0.000) 0.881 3.408 ( -0.235 5.533 0.000) 5.538 3.424 ( 0.402 3.595 0.000) 3.617 3.501 ( -2.423 2.231 0.000) 3.294 3.838 ( 5.172 -2.552 0.000) 5.767 3.979 ( -2.744 -7.223 0.000) 7.726 4.347 ( 14.915 -6.380 0.000) 16.222 4.920 ( -10.316 -9.438 0.000) 13.982 7.072 ( 2.251 -0.499 0.000) 2.306 7.157 ( -1.347 -1.191 0.000) 1.798 7.219 ( 0.832 3.411 0.000) 3.511 7.240 ( -0.204 4.211 0.000) 4.216 7.244 ( 3.279 -0.943 0.000) 3.411 7.277 ( -0.532 2.479 0.000) 2.535 7.353 ( 0.721 4.885 0.000) 4.938 7.475 ( -2.734 -1.293 0.000) 3.025 10.480 ( -0.078 -0.314 0.000) 0.323 10.527 ( -1.107 -0.853 0.000) 1.398 10.574 ( 1.318 -2.529 0.000) 2.852 10.640 ( -1.515 -1.341 0.000) 2.023 10.689 ( 0.427 -1.905 0.000) 1.952 10.695 ( -0.859 -1.277 0.000) 1.539 10.719 ( -1.479 -1.514 0.000) 2.116 10.787 ( 0.456 1.351 0.000) 1.426 10.797 ( -0.356 0.549 0.000) 0.654 10.854 ( -2.766 3.339 0.000) 4.336 10.876 ( -0.420 2.383 0.000) 2.420 10.878 ( -3.136 3.168 0.000) 4.457 15.819 ( 0.466 -0.035 0.000) 0.467 15.831 ( -0.088 -0.257 0.000) 0.272 15.862 ( 0.916 -0.298 0.000) 0.963 15.875 ( 0.382 -0.575 0.000) 0.690 23.111 ( 0.921 -0.334 0.000) 0.979 23.155 ( -1.103 -0.499 0.000) 1.210 23.412 ( 1.588 -2.040 0.000) 2.585 23.447 ( -0.880 0.593 0.000) 1.061 23.491 ( 1.321 3.383 0.000) 3.632 23.519 ( 3.451 4.628 0.000) 5.774 23.543 ( -2.739 8.568 0.000) 8.995 23.899 ( -11.085 3.654 0.000) 11.672 24.398 ( 8.651 -2.612 0.000) 9.037 24.519 ( 2.152 -5.906 0.000) 6.286 24.873 ( 8.585 -4.942 0.000) 9.906 25.174 ( -3.683 -8.244 0.000) 9.029 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -11.521 -0.331 0.000) 11.526 0.934 ( 11.521 -0.331 0.000) 11.526 1.026 ( -10.596 4.091 0.000) 11.359 1.026 ( 10.596 4.091 0.000) 11.359 1.324 ( -0.250 0.745 0.000) 0.785 1.324 ( 0.250 0.745 0.000) 0.785 1.406 ( -1.777 1.544 0.000) 2.354 1.406 ( 1.777 1.544 0.000) 2.354 1.474 ( -0.614 3.129 0.000) 3.189 1.474 ( 0.614 3.129 0.000) 3.189 1.633 ( -2.203 -1.005 0.000) 2.421 1.633 ( 2.203 -1.005 0.000) 2.421 1.743 ( -1.004 0.908 0.000) 1.353 1.743 ( 1.004 0.908 0.000) 1.353 1.846 ( -9.490 6.913 0.000) 11.742 1.846 ( 9.490 6.913 0.000) 11.742 1.851 ( -3.677 0.741 0.000) 3.751 1.851 ( 3.677 0.741 0.000) 3.751 1.963 ( -1.598 0.110 0.000) 1.602 1.963 ( 1.598 0.110 0.000) 1.602 2.015 ( -2.244 -0.029 0.000) 2.244 2.015 ( 2.244 -0.029 0.000) 2.244 2.181 ( -0.092 5.548 0.000) 5.549 2.181 ( 0.092 5.548 0.000) 5.549 2.456 ( -0.679 2.287 0.000) 2.385 2.456 ( 0.679 2.287 0.000) 2.385 2.479 ( -3.173 -2.083 0.000) 3.796 2.479 ( 3.173 -2.083 0.000) 3.796 2.718 ( -2.039 3.188 0.000) 3.784 2.718 ( 2.039 3.188 0.000) 3.784 2.952 ( -0.705 1.829 0.000) 1.960 2.952 ( 0.705 1.829 0.000) 1.960 2.973 ( -1.698 -1.663 0.000) 2.376 2.973 ( 1.698 -1.663 0.000) 2.376 3.068 ( -1.543 0.090 0.000) 1.546 3.068 ( 1.543 0.090 0.000) 1.546 3.268 ( -3.014 -1.318 0.000) 3.290 3.268 ( 3.014 -1.318 0.000) 3.290 3.333 ( -0.664 3.679 0.000) 3.739 3.333 ( 0.664 3.679 0.000) 3.739 3.403 ( -0.170 4.064 0.000) 4.068 3.403 ( 0.170 4.064 0.000) 4.068 3.456 ( -2.050 1.298 0.000) 2.426 3.456 ( 2.050 1.298 0.000) 2.426 3.922 ( -3.147 -4.699 0.000) 5.656 3.922 ( 3.147 -4.699 0.000) 5.656 4.657 ( -14.513 -7.517 0.000) 16.344 4.657 ( 14.513 -7.517 0.000) 16.344 7.119 ( -2.171 -0.908 0.000) 2.353 7.119 ( 2.171 -0.908 0.000) 2.353 7.235 ( -0.561 2.782 0.000) 2.837 7.235 ( 0.561 2.782 0.000) 2.837 7.271 ( -0.057 4.282 0.000) 4.282 7.271 ( 0.057 4.282 0.000) 4.282 7.406 ( -3.708 -0.607 0.000) 3.757 7.406 ( 3.708 -0.607 0.000) 3.757 10.495 ( -1.462 -0.602 0.000) 1.581 10.495 ( 1.462 -0.602 0.000) 1.581 10.605 ( -1.583 -2.457 0.000) 2.922 10.605 ( 1.583 -2.457 0.000) 2.922 10.687 ( -0.202 -1.884 0.000) 1.895 10.687 ( 0.202 -1.884 0.000) 1.895 10.746 ( -3.181 -1.114 0.000) 3.370 10.746 ( 3.181 -1.114 0.000) 3.370 10.811 ( -1.671 2.435 0.000) 2.953 10.811 ( 1.671 2.435 0.000) 2.953 10.861 ( -0.649 4.011 0.000) 4.063 10.861 ( 0.649 4.011 0.000) 4.063 15.827 ( -0.306 -0.130 0.000) 0.333 15.827 ( 0.306 -0.130 0.000) 0.333 15.875 ( -0.334 -0.458 0.000) 0.566 15.875 ( 0.334 -0.458 0.000) 0.566 23.132 ( -1.074 -0.301 0.000) 1.115 23.132 ( 1.074 -0.301 0.000) 1.115 23.431 ( -0.689 -0.885 0.000) 1.122 23.431 ( 0.689 -0.885 0.000) 1.122 23.508 ( -0.987 5.091 0.000) 5.186 23.508 ( 0.987 5.091 0.000) 5.186 23.673 ( -10.072 4.627 0.000) 11.084 23.673 ( 10.072 4.627 0.000) 11.084 24.518 ( -2.731 -4.426 0.000) 5.201 24.518 ( 2.731 -4.426 0.000) 5.201 25.050 ( -7.900 -5.806 0.000) 9.804 25.050 ( 7.900 -5.806 0.000) 9.804 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 15.032 0.000) 15.032 0.714 ( 0.000 16.108 0.000) 16.108 1.161 ( 0.000 18.514 0.000) 18.514 1.223 ( 0.000 -0.938 0.000) 0.938 1.266 ( 0.000 7.229 0.000) 7.229 1.324 ( 0.000 -1.425 0.000) 1.425 1.383 ( 0.000 2.886 0.000) 2.886 1.415 ( 0.000 -1.856 0.000) 1.856 1.448 ( 0.000 0.028 0.000) 0.028 1.507 ( 0.000 1.966 0.000) 1.966 1.628 ( 0.000 1.622 0.000) 1.622 1.632 ( 0.000 -3.658 0.000) 3.658 1.642 ( 0.000 1.555 0.000) 1.555 1.644 ( 0.000 -5.369 0.000) 5.369 1.803 ( 0.000 2.268 0.000) 2.268 1.808 ( 0.000 0.270 0.000) 0.270 1.851 ( 0.000 -2.510 0.000) 2.510 1.900 ( 0.000 3.803 0.000) 3.803 2.002 ( 0.000 2.157 0.000) 2.157 2.015 ( 0.000 -4.739 0.000) 4.739 2.054 ( 0.000 -0.298 0.000) 0.298 2.259 ( 0.000 7.873 0.000) 7.873 2.334 ( 0.000 -0.104 0.000) 0.104 2.388 ( 0.000 6.177 0.000) 6.177 2.411 ( 0.000 4.212 0.000) 4.212 2.426 ( 0.000 -0.410 0.000) 0.410 2.455 ( 0.000 4.341 0.000) 4.341 2.538 ( 0.000 -6.681 0.000) 6.681 2.714 ( 0.000 -2.242 0.000) 2.242 2.782 ( 0.000 4.139 0.000) 4.139 2.905 ( 0.000 1.080 0.000) 1.080 2.963 ( 0.000 1.304 0.000) 1.304 3.023 ( 0.000 4.437 0.000) 4.437 3.079 ( 0.000 2.912 0.000) 2.912 3.114 ( 0.000 -0.276 0.000) 0.276 3.130 ( 0.000 0.231 0.000) 0.231 3.136 ( 0.000 -5.145 0.000) 5.145 3.306 ( 0.000 -6.532 0.000) 6.532 3.309 ( 0.000 0.813 0.000) 0.813 3.330 ( 0.000 0.309 0.000) 0.309 3.453 ( 0.000 8.237 0.000) 8.237 3.531 ( 0.000 0.058 0.000) 0.058 3.534 ( 0.000 8.366 0.000) 8.366 3.580 ( 0.000 6.021 0.000) 6.021 3.616 ( 0.000 1.051 0.000) 1.051 3.834 ( 0.000 -6.536 0.000) 6.536 3.995 ( 0.000 -9.984 0.000) 9.984 4.779 ( 0.000 -11.645 0.000) 11.645 7.010 ( 0.000 0.307 0.000) 0.307 7.098 ( 0.000 -1.555 0.000) 1.555 7.162 ( 0.000 -1.515 0.000) 1.515 7.266 ( 0.000 -2.244 0.000) 2.244 7.314 ( 0.000 5.934 0.000) 5.934 7.364 ( 0.000 6.542 0.000) 6.542 7.436 ( 0.000 4.402 0.000) 4.402 7.536 ( 0.000 1.167 0.000) 1.167 10.478 ( 0.000 -0.795 0.000) 0.795 10.520 ( 0.000 -0.989 0.000) 0.989 10.547 ( 0.000 0.424 0.000) 0.424 10.613 ( 0.000 -0.405 0.000) 0.405 10.704 ( 0.000 -2.118 0.000) 2.118 10.716 ( 0.000 -1.893 0.000) 1.893 10.729 ( 0.000 0.099 0.000) 0.099 10.820 ( 0.000 1.526 0.000) 1.526 10.875 ( 0.000 2.011 0.000) 2.011 10.901 ( 0.000 1.640 0.000) 1.640 11.036 ( 0.000 2.765 0.000) 2.765 11.038 ( 0.000 5.241 0.000) 5.241 15.809 ( 0.000 0.095 0.000) 0.095 15.824 ( 0.000 -0.625 0.000) 0.625 15.828 ( 0.000 -0.136 0.000) 0.136 15.836 ( 0.000 -0.912 0.000) 0.912 23.098 ( 0.000 0.918 0.000) 0.918 23.163 ( 0.000 -1.213 0.000) 1.213 23.267 ( 0.000 -3.676 0.000) 3.676 23.502 ( 0.000 -1.045 0.000) 1.045 23.573 ( 0.000 3.885 0.000) 3.885 23.606 ( 0.000 4.476 0.000) 4.476 23.912 ( 0.000 2.877 0.000) 2.877 24.079 ( 0.000 0.596 0.000) 0.596 24.112 ( 0.000 -3.510 0.000) 3.510 24.348 ( 0.000 -1.358 0.000) 1.358 24.519 ( 0.000 -8.374 0.000) 8.374 24.952 ( 0.000 -4.086 0.000) 4.086 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 1.285 15.253 0.000) 15.307 0.748 ( 7.269 12.975 0.000) 14.873 1.222 ( 0.995 0.940 0.000) 1.369 1.248 ( -4.962 -0.680 0.000) 5.008 1.289 ( 3.834 1.221 0.000) 4.023 1.361 ( 13.300 18.576 0.000) 22.847 1.412 ( -0.556 1.717 0.000) 1.805 1.429 ( 1.322 -2.076 0.000) 2.461 1.443 ( -0.362 0.317 0.000) 0.481 1.503 ( 0.907 2.077 0.000) 2.266 1.599 ( -4.041 1.415 0.000) 4.281 1.601 ( -2.022 -1.899 0.000) 2.773 1.629 ( -1.123 -4.345 0.000) 4.487 1.675 ( 3.262 1.965 0.000) 3.809 1.768 ( -2.002 1.404 0.000) 2.445 1.836 ( 1.705 1.055 0.000) 2.005 1.836 ( -0.398 -2.153 0.000) 2.189 1.913 ( 1.445 1.806 0.000) 2.313 2.015 ( -0.068 -3.234 0.000) 3.235 2.047 ( 0.993 1.379 0.000) 1.699 2.066 ( 1.727 2.361 0.000) 2.925 2.284 ( 1.529 7.754 0.000) 7.904 2.291 ( -2.557 2.589 0.000) 3.639 2.378 ( -1.184 4.003 0.000) 4.174 2.408 ( -0.156 -1.978 0.000) 1.985 2.455 ( 2.929 2.708 0.000) 3.989 2.471 ( 1.079 4.047 0.000) 4.188 2.481 ( -4.394 -1.449 0.000) 4.627 2.733 ( 0.331 -0.309 0.000) 0.453 2.795 ( 2.652 1.722 0.000) 3.162 2.887 ( -1.236 3.815 0.000) 4.010 2.955 ( -3.115 0.728 0.000) 3.199 2.969 ( 0.650 1.512 0.000) 1.646 3.071 ( -0.796 2.598 0.000) 2.717 3.091 ( -0.968 1.334 0.000) 1.648 3.149 ( 0.251 -2.678 0.000) 2.689 3.154 ( -0.801 -2.152 0.000) 2.296 3.296 ( -0.100 -4.782 0.000) 4.783 3.320 ( 0.301 -0.116 0.000) 0.322 3.343 ( 0.879 0.052 0.000) 0.881 3.473 ( 1.294 7.796 0.000) 7.902 3.521 ( 0.461 3.331 0.000) 3.363 3.542 ( -1.661 5.133 0.000) 5.396 3.585 ( 2.388 5.583 0.000) 6.072 3.698 ( 5.239 0.497 0.000) 5.262 3.895 ( -6.982 -8.766 0.000) 11.206 3.938 ( 9.519 -6.988 0.000) 11.809 4.785 ( -1.159 -13.259 0.000) 13.310 7.026 ( 1.492 0.191 0.000) 1.504 7.122 ( 2.328 -1.985 0.000) 3.059 7.152 ( -0.848 -1.437 0.000) 1.669 7.268 ( 0.043 -2.222 0.000) 2.222 7.314 ( 0.233 5.928 0.000) 5.933 7.367 ( 0.406 6.595 0.000) 6.608 7.458 ( 1.298 4.333 0.000) 4.523 7.520 ( -1.499 1.313 0.000) 1.993 10.477 ( -0.131 -0.557 0.000) 0.572 10.520 ( 0.053 -1.295 0.000) 1.296 10.536 ( -0.950 0.277 0.000) 0.990 10.619 ( 0.396 -0.920 0.000) 1.002 10.680 ( -1.988 -1.721 0.000) 2.630 10.710 ( -1.543 0.122 0.000) 1.548 10.711 ( -0.606 -1.752 0.000) 1.854 10.818 ( -0.624 0.245 0.000) 0.670 10.858 ( -2.667 2.283 0.000) 3.510 10.894 ( 1.195 1.413 0.000) 1.850 10.996 ( -3.011 3.902 0.000) 4.929 11.019 ( -2.138 4.591 0.000) 5.064 15.812 ( 0.260 0.128 0.000) 0.290 15.823 ( 0.020 -0.501 0.000) 0.501 15.838 ( 0.766 -0.239 0.000) 0.802 15.846 ( 0.731 -0.933 0.000) 1.186 23.099 ( 0.216 0.767 0.000) 0.797 23.157 ( -0.469 -0.861 0.000) 0.980 23.300 ( 2.777 -3.570 0.000) 4.523 23.476 ( -2.240 -1.825 0.000) 2.890 23.565 ( -0.855 3.974 0.000) 4.065 23.587 ( -0.184 4.404 0.000) 4.408 23.831 ( -5.820 5.468 0.000) 7.986 24.159 ( 0.337 5.469 0.000) 5.479 24.181 ( 8.210 -0.089 0.000) 8.211 24.308 ( -1.155 -7.349 0.000) 7.439 24.584 ( 5.943 -7.911 0.000) 9.895 24.982 ( 1.790 -7.678 0.000) 7.884 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 7.122 9.564 0.000) 11.925 0.934 ( 9.956 9.295 0.000) 13.620 1.131 ( -6.607 0.197 0.000) 6.610 1.236 ( -0.731 2.252 0.000) 2.368 1.330 ( 0.054 1.111 0.000) 1.112 1.371 ( -2.265 0.690 0.000) 2.368 1.438 ( 0.052 1.676 0.000) 1.677 1.453 ( 0.432 0.236 0.000) 0.492 1.519 ( -1.718 1.443 0.000) 2.244 1.528 ( 1.026 1.681 0.000) 1.969 1.570 ( -0.939 -1.542 0.000) 1.806 1.603 ( -1.181 -3.560 0.000) 3.751 1.683 ( 12.167 8.128 0.000) 14.632 1.727 ( 1.288 1.100 0.000) 1.694 1.747 ( 2.967 3.421 0.000) 4.529 1.854 ( 1.889 -1.622 0.000) 2.490 1.859 ( 0.718 0.381 0.000) 0.813 1.956 ( 2.240 0.920 0.000) 2.421 2.015 ( 0.267 -0.094 0.000) 0.283 2.029 ( -1.695 2.391 0.000) 2.931 2.088 ( -0.353 5.573 0.000) 5.584 2.237 ( -4.003 5.045 0.000) 6.440 2.287 ( -0.371 6.053 0.000) 6.064 2.331 ( -5.289 1.759 0.000) 5.574 2.407 ( 2.545 2.094 0.000) 3.296 2.441 ( 0.373 -0.928 0.000) 1.000 2.498 ( 1.540 3.660 0.000) 3.970 2.517 ( 1.839 3.070 0.000) 3.579 2.738 ( 1.349 2.755 0.000) 3.068 2.854 ( -2.456 5.021 0.000) 5.590 2.880 ( 4.494 -0.266 0.000) 4.501 2.931 ( 0.802 -1.170 0.000) 1.418 2.984 ( 0.422 1.367 0.000) 1.431 3.044 ( -2.016 2.173 0.000) 2.965 3.077 ( -0.436 1.448 0.000) 1.512 3.115 ( -2.285 0.062 0.000) 2.286 3.157 ( 1.551 -3.855 0.000) 4.156 3.305 ( -2.105 -1.008 0.000) 2.334 3.310 ( 1.110 -3.534 0.000) 3.704 3.343 ( -0.807 -1.679 0.000) 1.863 3.499 ( 1.307 6.746 0.000) 6.872 3.516 ( -0.851 4.606 0.000) 4.684 3.526 ( -0.346 4.704 0.000) 4.717 3.576 ( -2.989 4.474 0.000) 5.381 3.794 ( 3.560 -0.816 0.000) 3.652 3.820 ( 0.183 -6.079 0.000) 6.082 4.188 ( 13.653 -8.312 0.000) 15.984 4.689 ( -8.153 -12.443 0.000) 14.876 7.063 ( 1.862 -0.283 0.000) 1.884 7.130 ( -1.287 -1.218 0.000) 1.772 7.186 ( 3.346 -3.010 0.000) 4.501 7.263 ( -0.639 -2.049 0.000) 2.146 7.330 ( 1.378 5.882 0.000) 6.042 7.380 ( 0.615 6.292 0.000) 6.322 7.466 ( -0.462 5.016 0.000) 5.037 7.478 ( -2.270 2.111 0.000) 3.100 10.473 ( -0.111 -0.277 0.000) 0.299 10.510 ( -1.569 -0.554 0.000) 1.664 10.526 ( 0.664 -1.983 0.000) 2.091 10.600 ( -2.509 -2.281 0.000) 3.391 10.658 ( 0.352 -0.796 0.000) 0.870 10.679 ( -1.213 -0.185 0.000) 1.227 10.694 ( -0.344 -1.003 0.000) 1.060 10.782 ( -2.814 -1.532 0.000) 3.204 10.833 ( 0.642 2.713 0.000) 2.788 10.919 ( 1.067 1.721 0.000) 2.025 10.934 ( -2.888 4.266 0.000) 5.151 10.967 ( -2.256 4.385 0.000) 4.931 15.819 ( 0.380 0.097 0.000) 0.392 15.825 ( 0.101 -0.269 0.000) 0.288 15.854 ( 0.694 -0.458 0.000) 0.832 15.859 ( 0.492 -0.881 0.000) 1.009 23.111 ( 0.857 0.495 0.000) 0.990 23.146 ( -0.625 -0.166 0.000) 0.646 23.354 ( 1.971 -3.528 0.000) 4.041 23.426 ( -2.323 -2.918 0.000) 3.730 23.575 ( 1.796 4.373 0.000) 4.727 23.627 ( 4.920 5.080 0.000) 7.072 23.715 ( -5.086 7.316 0.000) 8.910 24.023 ( -10.628 7.458 0.000) 12.984 24.346 ( 6.568 -1.718 0.000) 6.789 24.375 ( 4.512 -6.583 0.000) 7.981 24.740 ( 8.425 -7.492 0.000) 11.274 24.986 ( -1.876 -9.380 0.000) 9.566 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -8.438 3.729 0.000) 9.225 0.967 ( 8.438 3.729 0.000) 9.225 1.136 ( -8.282 6.074 0.000) 10.270 1.136 ( 8.282 6.074 0.000) 10.270 1.336 ( -1.090 0.429 0.000) 1.171 1.336 ( 1.090 0.429 0.000) 1.171 1.446 ( -0.702 1.760 0.000) 1.895 1.446 ( 0.702 1.760 0.000) 1.895 1.526 ( -1.152 2.084 0.000) 2.381 1.526 ( 1.152 2.084 0.000) 2.381 1.575 ( -1.257 -3.731 0.000) 3.937 1.575 ( 1.257 -3.731 0.000) 3.937 1.730 ( -0.532 -0.744 0.000) 0.914 1.730 ( 0.532 -0.744 0.000) 0.914 1.863 ( -0.672 -2.087 0.000) 2.192 1.863 ( 0.672 -2.087 0.000) 2.192 1.993 ( -0.711 1.642 0.000) 1.789 1.993 ( 0.711 1.642 0.000) 1.789 1.999 ( -5.798 5.218 0.000) 7.800 1.999 ( 5.798 5.218 0.000) 7.800 2.090 ( -4.434 8.853 0.000) 9.902 2.090 ( 4.434 8.853 0.000) 9.902 2.286 ( -0.355 4.690 0.000) 4.704 2.286 ( 0.355 4.690 0.000) 4.704 2.442 ( -0.673 -0.275 0.000) 0.728 2.442 ( 0.673 -0.275 0.000) 0.728 2.525 ( -0.752 3.385 0.000) 3.468 2.525 ( 0.752 3.385 0.000) 3.468 2.792 ( -3.250 3.666 0.000) 4.900 2.792 ( 3.250 3.666 0.000) 4.900 2.951 ( -0.670 -0.003 0.000) 0.670 2.951 ( 0.670 -0.003 0.000) 0.670 2.991 ( -1.922 1.334 0.000) 2.339 2.991 ( 1.922 1.334 0.000) 2.339 3.080 ( -0.923 0.966 0.000) 1.336 3.080 ( 0.923 0.966 0.000) 1.336 3.225 ( -4.599 -2.868 0.000) 5.420 3.225 ( 4.599 -2.868 0.000) 5.420 3.329 ( -0.674 -2.849 0.000) 2.928 3.329 ( 0.674 -2.849 0.000) 2.928 3.511 ( -0.489 4.265 0.000) 4.293 3.511 ( 0.489 4.265 0.000) 4.293 3.528 ( -1.593 5.108 0.000) 5.351 3.528 ( 1.593 5.108 0.000) 5.351 3.833 ( -0.173 -2.345 0.000) 2.351 3.833 ( 0.173 -2.345 0.000) 2.351 4.467 ( -12.790 -10.246 0.000) 16.388 4.467 ( 12.790 -10.246 0.000) 16.388 7.099 ( -1.640 -0.809 0.000) 1.829 7.099 ( 1.640 -0.809 0.000) 1.829 7.240 ( -1.722 -2.654 0.000) 3.164 7.240 ( 1.722 -2.654 0.000) 3.164 7.370 ( -1.931 5.274 0.000) 5.617 7.370 ( 1.931 5.274 0.000) 5.617 7.453 ( -0.259 4.610 0.000) 4.617 7.453 ( 0.259 4.610 0.000) 4.617 10.481 ( -0.972 -0.592 0.000) 1.138 10.481 ( 0.972 -0.592 0.000) 1.138 10.551 ( -1.833 -2.370 0.000) 2.996 10.551 ( 1.833 -2.370 0.000) 2.996 10.664 ( -0.302 -0.531 0.000) 0.611 10.664 ( 0.302 -0.531 0.000) 0.611 10.721 ( -2.590 -1.300 0.000) 2.897 10.721 ( 2.590 -1.300 0.000) 2.897 10.873 ( -2.799 3.365 0.000) 4.377 10.873 ( 2.799 3.365 0.000) 4.377 10.938 ( -0.883 3.166 0.000) 3.286 10.938 ( 0.883 3.166 0.000) 3.286 15.825 ( -0.147 -0.051 0.000) 0.155 15.825 ( 0.147 -0.051 0.000) 0.155 15.863 ( -0.139 -0.703 0.000) 0.717 15.863 ( 0.139 -0.703 0.000) 0.717 23.130 ( -0.926 0.276 0.000) 0.966 23.130 ( 0.926 0.276 0.000) 0.966 23.386 ( -1.540 -3.332 0.000) 3.671 23.386 ( 1.540 -3.332 0.000) 3.671 23.627 ( -3.376 5.922 0.000) 6.817 23.627 ( 3.376 5.922 0.000) 6.817 23.795 ( -10.522 5.978 0.000) 12.102 23.795 ( 10.522 5.978 0.000) 12.102 24.422 ( -0.537 -3.642 0.000) 3.681 24.422 ( 0.537 -3.642 0.000) 3.681 24.900 ( -6.387 -8.269 0.000) 10.448 24.900 ( 6.387 -8.269 0.000) 10.448 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 0.000 12.016 0.000) 12.016 1.018 ( 0.000 13.291 0.000) 13.291 1.230 ( 0.000 1.580 0.000) 1.580 1.263 ( 0.000 -4.224 0.000) 4.224 1.283 ( 0.000 1.262 0.000) 1.262 1.399 ( 0.000 -2.671 0.000) 2.671 1.408 ( 0.000 0.856 0.000) 0.856 1.431 ( 0.000 1.626 0.000) 1.626 1.531 ( 0.000 1.714 0.000) 1.714 1.535 ( 0.000 -1.069 0.000) 1.069 1.589 ( 0.000 5.647 0.000) 5.647 1.593 ( 0.000 2.493 0.000) 2.493 1.621 ( 0.000 -3.068 0.000) 3.068 1.642 ( 0.000 -1.631 0.000) 1.631 1.779 ( 0.000 -3.219 0.000) 3.219 1.780 ( 0.000 -4.039 0.000) 4.039 1.937 ( 0.000 10.990 0.000) 10.990 1.995 ( 0.000 3.651 0.000) 3.651 2.004 ( 0.000 6.243 0.000) 6.243 2.038 ( 0.000 1.095 0.000) 1.095 2.044 ( 0.000 -0.114 0.000) 0.114 2.291 ( 0.000 -4.442 0.000) 4.442 2.313 ( 0.000 -2.228 0.000) 2.228 2.359 ( 0.000 -9.646 0.000) 9.646 2.439 ( 0.000 2.047 0.000) 2.047 2.499 ( 0.000 2.901 0.000) 2.901 2.501 ( 0.000 4.097 0.000) 4.097 2.546 ( 0.000 3.046 0.000) 3.046 2.698 ( 0.000 1.238 0.000) 1.238 2.826 ( 0.000 -0.382 0.000) 0.382 2.906 ( 0.000 -0.015 0.000) 0.015 2.996 ( 0.000 1.800 0.000) 1.800 3.020 ( 0.000 -5.621 0.000) 5.621 3.083 ( 0.000 -2.583 0.000) 2.583 3.116 ( 0.000 3.550 0.000) 3.550 3.136 ( 0.000 2.101 0.000) 2.101 3.138 ( 0.000 0.544 0.000) 0.544 3.196 ( 0.000 -3.427 0.000) 3.427 3.326 ( 0.000 0.786 0.000) 0.786 3.336 ( 0.000 0.231 0.000) 0.231 3.554 ( 0.000 2.459 0.000) 2.459 3.583 ( 0.000 3.698 0.000) 3.698 3.664 ( 0.000 3.809 0.000) 3.809 3.690 ( 0.000 3.729 0.000) 3.729 3.716 ( 0.000 -4.524 0.000) 4.524 3.729 ( 0.000 3.220 0.000) 3.220 3.850 ( 0.000 3.614 0.000) 3.614 4.495 ( 0.000 -15.777 0.000) 15.777 7.023 ( 0.000 0.863 0.000) 0.863 7.069 ( 0.000 -1.321 0.000) 1.321 7.139 ( 0.000 -0.358 0.000) 0.358 7.207 ( 0.000 -3.137 0.000) 3.137 7.427 ( 0.000 4.763 0.000) 4.763 7.489 ( 0.000 5.098 0.000) 5.098 7.500 ( 0.000 1.629 0.000) 1.629 7.563 ( 0.000 1.031 0.000) 1.031 10.472 ( 0.000 0.152 0.000) 0.152 10.500 ( 0.000 -0.952 0.000) 0.952 10.558 ( 0.000 0.644 0.000) 0.644 10.597 ( 0.000 -1.066 0.000) 1.066 10.673 ( 0.000 -0.775 0.000) 0.775 10.684 ( 0.000 -1.134 0.000) 1.134 10.746 ( 0.000 1.413 0.000) 1.413 10.817 ( 0.000 -1.337 0.000) 1.337 10.911 ( 0.000 1.426 0.000) 1.426 10.926 ( 0.000 0.745 0.000) 0.745 11.109 ( 0.000 3.442 0.000) 3.442 11.126 ( 0.000 2.990 0.000) 2.990 15.813 ( 0.000 -0.412 0.000) 0.412 15.813 ( 0.000 0.251 0.000) 0.251 15.818 ( 0.000 -0.691 0.000) 0.691 15.825 ( 0.000 -0.240 0.000) 0.240 23.145 ( 0.000 3.833 0.000) 3.833 23.146 ( 0.000 -0.351 0.000) 0.351 23.198 ( 0.000 -2.885 0.000) 2.885 23.415 ( 0.000 -6.992 0.000) 6.992 23.649 ( 0.000 3.160 0.000) 3.160 23.677 ( 0.000 2.206 0.000) 2.206 23.935 ( 0.000 0.580 0.000) 0.580 24.036 ( 0.000 -3.724 0.000) 3.724 24.110 ( 0.000 2.704 0.000) 2.704 24.344 ( 0.000 -8.265 0.000) 8.265 24.445 ( 0.000 9.301 0.000) 9.301 24.837 ( 0.000 -7.268 0.000) 7.268 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 4.368 10.513 0.000) 11.384 1.005 ( -0.478 13.462 0.000) 13.470 1.225 ( -3.188 -1.807 0.000) 3.665 1.240 ( 0.918 1.288 0.000) 1.582 1.320 ( 2.755 0.501 0.000) 2.800 1.399 ( -0.269 -0.432 0.000) 0.509 1.408 ( 0.789 -3.686 0.000) 3.769 1.429 ( -0.722 0.024 0.000) 0.723 1.521 ( -0.708 -0.919 0.000) 1.160 1.543 ( 0.363 -1.325 0.000) 1.373 1.583 ( 1.048 0.661 0.000) 1.239 1.600 ( -1.402 1.575 0.000) 2.109 1.653 ( 3.408 3.522 0.000) 4.901 1.700 ( 3.659 -0.334 0.000) 3.674 1.774 ( -0.269 -2.490 0.000) 2.504 1.813 ( 2.259 -3.038 0.000) 3.786 1.891 ( -1.204 8.954 0.000) 9.034 1.964 ( -1.114 4.417 0.000) 4.555 2.030 ( 0.901 4.078 0.000) 4.177 2.050 ( 0.348 -0.984 0.000) 1.044 2.121 ( 5.027 4.421 0.000) 6.695 2.290 ( 0.332 -3.733 0.000) 3.748 2.335 ( -0.830 -4.072 0.000) 4.156 2.353 ( 3.348 -1.226 0.000) 3.565 2.462 ( 1.064 0.957 0.000) 1.431 2.477 ( -1.938 5.031 0.000) 5.391 2.526 ( 2.164 2.020 0.000) 2.960 2.548 ( 0.170 2.398 0.000) 2.404 2.725 ( 2.404 1.082 0.000) 2.636 2.830 ( 1.071 0.095 0.000) 1.076 2.902 ( -0.013 -0.199 0.000) 0.199 2.975 ( -3.033 -1.576 0.000) 3.418 3.001 ( 0.351 1.471 0.000) 1.513 3.077 ( -0.546 -3.016 0.000) 3.065 3.113 ( -0.706 1.114 0.000) 1.319 3.123 ( -0.938 1.194 0.000) 1.519 3.125 ( -0.745 0.604 0.000) 0.959 3.207 ( 0.878 -3.452 0.000) 3.562 3.330 ( -0.691 0.826 0.000) 1.076 3.347 ( 0.065 0.141 0.000) 0.155 3.548 ( 0.314 1.565 0.000) 1.596 3.593 ( 0.300 3.263 0.000) 3.277 3.629 ( -1.627 3.120 0.000) 3.519 3.728 ( -3.421 -6.611 0.000) 7.444 3.737 ( 3.851 2.637 0.000) 4.667 3.812 ( 0.122 14.334 0.000) 14.335 3.821 ( 8.545 -3.821 0.000) 9.360 4.488 ( -1.298 -15.761 0.000) 15.815 7.037 ( 1.195 0.776 0.000) 1.425 7.086 ( 1.571 -1.588 0.000) 2.234 7.132 ( -0.616 -0.219 0.000) 0.654 7.206 ( -0.168 -3.332 0.000) 3.336 7.430 ( 0.411 4.996 0.000) 5.013 7.491 ( 0.187 4.925 0.000) 4.929 7.517 ( 1.252 1.273 0.000) 1.785 7.554 ( -0.855 1.402 0.000) 1.642 10.472 ( 0.018 0.110 0.000) 0.112 10.497 ( -0.231 -0.953 0.000) 0.980 10.546 ( -1.241 0.664 0.000) 1.408 10.592 ( -0.711 -1.512 0.000) 1.671 10.660 ( -0.973 -0.217 0.000) 0.997 10.682 ( -0.294 -1.098 0.000) 1.137 10.726 ( -1.742 1.332 0.000) 2.194 10.798 ( -1.827 -1.666 0.000) 2.473 10.898 ( -1.676 1.562 0.000) 2.291 10.917 ( 0.525 0.723 0.000) 0.893 11.079 ( -2.612 3.533 0.000) 4.394 11.099 ( -2.441 2.785 0.000) 3.703 15.815 ( 0.263 -0.230 0.000) 0.349 15.816 ( 0.308 0.312 0.000) 0.438 15.827 ( 0.679 -0.792 0.000) 1.043 15.832 ( 0.583 -0.353 0.000) 0.682 23.140 ( -0.252 3.427 0.000) 3.436 23.149 ( 0.334 0.214 0.000) 0.397 23.226 ( 2.384 -3.365 0.000) 4.124 23.384 ( -2.484 -6.570 0.000) 7.024 23.639 ( -0.676 2.913 0.000) 2.990 23.659 ( -0.288 2.316 0.000) 2.334 23.910 ( -1.929 3.320 0.000) 3.840 24.112 ( 4.401 -6.846 0.000) 8.139 24.203 ( 7.412 2.393 0.000) 7.789 24.389 ( -4.228 11.308 0.000) 12.072 24.419 ( 6.724 -7.690 0.000) 10.215 24.823 ( -1.121 -8.448 0.000) 8.522 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 1.898 11.053 0.000) 11.215 1.108 ( 5.313 6.479 0.000) 8.379 1.156 ( -2.530 2.079 0.000) 3.275 1.259 ( 0.448 0.158 0.000) 0.475 1.365 ( 0.938 0.925 0.000) 1.317 1.370 ( -1.578 -0.015 0.000) 1.578 1.431 ( 1.292 -2.557 0.000) 2.865 1.447 ( 1.422 -0.992 0.000) 1.734 1.512 ( -0.056 -0.796 0.000) 0.798 1.540 ( -0.888 -0.314 0.000) 0.942 1.561 ( -0.782 1.767 0.000) 1.933 1.597 ( -0.288 1.703 0.000) 1.727 1.693 ( 0.341 -0.741 0.000) 0.815 1.742 ( 0.449 -0.317 0.000) 0.550 1.786 ( 0.637 -2.863 0.000) 2.933 1.814 ( -1.883 -2.821 0.000) 3.392 1.948 ( 5.952 6.310 0.000) 8.674 1.973 ( 1.576 1.141 0.000) 1.946 2.044 ( -0.907 -0.493 0.000) 1.032 2.047 ( 0.952 1.428 0.000) 1.716 2.209 ( 3.450 7.438 0.000) 8.199 2.312 ( 1.024 -0.857 0.000) 1.335 2.339 ( 1.088 3.483 0.000) 3.649 2.407 ( 0.483 2.212 0.000) 2.264 2.449 ( 0.150 3.739 0.000) 3.742 2.471 ( -0.038 2.590 0.000) 2.590 2.558 ( 0.788 1.285 0.000) 1.507 2.566 ( 1.198 0.699 0.000) 1.387 2.786 ( 3.507 2.482 0.000) 4.296 2.891 ( 4.611 0.155 0.000) 4.613 2.904 ( -1.162 0.014 0.000) 1.162 2.934 ( 0.358 0.711 0.000) 0.796 2.997 ( -0.934 0.225 0.000) 0.961 3.076 ( 0.932 -2.585 0.000) 2.748 3.081 ( -2.447 1.323 0.000) 2.782 3.111 ( -0.778 -0.432 0.000) 0.890 3.115 ( 0.423 1.564 0.000) 1.620 3.227 ( 1.080 -4.061 0.000) 4.203 3.279 ( -4.158 -0.881 0.000) 4.250 3.310 ( -3.393 -1.480 0.000) 3.702 3.567 ( 0.795 0.566 0.000) 0.976 3.585 ( -0.912 2.440 0.000) 2.605 3.606 ( -0.591 2.750 0.000) 2.813 3.625 ( -3.693 -0.818 0.000) 3.782 3.825 ( 3.929 3.619 0.000) 5.342 3.858 ( 2.295 10.100 0.000) 10.357 4.032 ( 11.199 -6.536 0.000) 12.967 4.418 ( -5.745 -13.932 0.000) 15.070 7.065 ( 1.400 0.514 0.000) 1.491 7.115 ( -0.995 0.017 0.000) 0.995 7.128 ( 2.262 -2.523 0.000) 3.389 7.196 ( -0.814 -3.585 0.000) 3.676 7.447 ( 1.183 5.139 0.000) 5.273 7.494 ( -0.125 4.419 0.000) 4.421 7.534 ( -0.778 2.361 0.000) 2.486 7.536 ( 0.349 1.511 0.000) 1.551 10.471 ( -0.105 0.105 0.000) 0.149 10.495 ( 0.194 -1.119 0.000) 1.136 10.509 ( -2.101 0.423 0.000) 2.144 10.557 ( -2.483 -1.840 0.000) 3.091 10.652 ( 0.260 0.101 0.000) 0.279 10.675 ( -0.016 -0.863 0.000) 0.863 10.687 ( -1.724 0.882 0.000) 1.936 10.747 ( -2.845 -1.754 0.000) 3.343 10.889 ( 1.163 2.528 0.000) 2.783 10.941 ( 1.711 0.323 0.000) 1.741 11.014 ( -3.548 3.203 0.000) 4.780 11.038 ( -3.015 2.307 0.000) 3.796 15.822 ( 0.349 0.031 0.000) 0.351 15.823 ( 0.307 0.337 0.000) 0.455 15.841 ( 0.580 -0.829 0.000) 1.012 15.844 ( 0.465 -0.549 0.000) 0.720 23.141 ( 0.386 2.642 0.000) 2.670 23.155 ( 0.144 1.214 0.000) 1.222 23.274 ( 1.843 -4.042 0.000) 4.442 23.334 ( -2.028 -5.534 0.000) 5.894 23.655 ( 2.583 3.253 0.000) 4.154 23.701 ( 4.911 1.795 0.000) 5.229 23.843 ( -4.625 5.539 0.000) 7.216 24.073 ( -8.528 -4.226 0.000) 9.518 24.352 ( 5.964 2.527 0.000) 6.478 24.378 ( 3.164 8.179 0.000) 8.770 24.583 ( 8.176 -7.498 0.000) 11.093 24.794 ( -1.899 -9.528 0.000) 9.715 ======================= Grid point 24 (16/60) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -3.310 6.328 0.000) 7.142 1.076 ( 3.310 6.328 0.000) 7.142 1.231 ( -3.798 1.644 0.000) 4.139 1.231 ( 3.798 1.644 0.000) 4.139 1.357 ( -0.520 2.094 0.000) 2.157 1.357 ( 0.520 2.094 0.000) 2.157 1.456 ( -0.743 -1.383 0.000) 1.570 1.456 ( 0.743 -1.383 0.000) 1.570 1.520 ( -0.779 0.088 0.000) 0.784 1.520 ( 0.779 0.088 0.000) 0.784 1.574 ( -1.416 2.104 0.000) 2.536 1.574 ( 1.416 2.104 0.000) 2.536 1.719 ( -2.123 -0.573 0.000) 2.199 1.719 ( 2.123 -0.573 0.000) 2.199 1.789 ( -0.154 -4.415 0.000) 4.418 1.789 ( 0.154 -4.415 0.000) 4.418 2.007 ( -1.448 0.487 0.000) 1.527 2.007 ( 1.448 0.487 0.000) 1.527 2.049 ( -1.521 -0.168 0.000) 1.530 2.049 ( 1.521 -0.168 0.000) 1.530 2.279 ( -3.417 8.052 0.000) 8.747 2.279 ( 3.417 8.052 0.000) 8.747 2.382 ( -2.118 4.071 0.000) 4.589 2.382 ( 2.118 4.071 0.000) 4.589 2.465 ( -0.594 2.368 0.000) 2.442 2.465 ( 0.594 2.368 0.000) 2.442 2.572 ( -0.358 0.515 0.000) 0.627 2.572 ( 0.358 0.515 0.000) 0.627 2.857 ( -2.940 2.642 0.000) 3.953 2.857 ( 2.940 2.642 0.000) 3.953 2.967 ( -1.837 -0.409 0.000) 1.882 2.967 ( 1.837 -0.409 0.000) 1.882 3.001 ( -5.306 1.181 0.000) 5.436 3.001 ( 5.306 1.181 0.000) 5.436 3.096 ( -0.693 -0.200 0.000) 0.721 3.096 ( 0.693 -0.200 0.000) 0.721 3.169 ( -4.978 -1.401 0.000) 5.172 3.169 ( 4.978 -1.401 0.000) 5.172 3.255 ( -1.769 -3.822 0.000) 4.212 3.255 ( 1.769 -3.822 0.000) 4.212 3.570 ( -0.204 1.794 0.000) 1.806 3.570 ( 0.204 1.794 0.000) 1.806 3.599 ( -0.091 1.518 0.000) 1.520 3.599 ( 0.091 1.518 0.000) 1.520 3.876 ( -0.783 6.316 0.000) 6.365 3.876 ( 0.783 6.316 0.000) 6.365 4.254 ( -9.810 -10.317 0.000) 14.236 4.254 ( 9.810 -10.317 0.000) 14.236 7.092 ( -1.247 0.246 0.000) 1.271 7.092 ( 1.247 0.246 0.000) 1.271 7.170 ( -1.712 -3.412 0.000) 3.817 7.170 ( 1.712 -3.412 0.000) 3.817 7.476 ( -1.430 4.597 0.000) 4.814 7.476 ( 1.430 4.597 0.000) 4.814 7.533 ( -0.399 2.453 0.000) 2.486 7.533 ( 0.399 2.453 0.000) 2.486 10.476 ( -0.833 0.178 0.000) 0.852 10.476 ( 0.833 0.178 0.000) 0.852 10.512 ( -1.553 -1.508 0.000) 2.164 10.512 ( 1.553 -1.508 0.000) 2.164 10.662 ( -0.714 0.281 0.000) 0.767 10.662 ( 0.714 0.281 0.000) 0.767 10.695 ( -1.919 -1.165 0.000) 2.245 10.695 ( 1.919 -1.165 0.000) 2.245 10.939 ( -3.368 2.890 0.000) 4.438 10.939 ( 3.368 2.890 0.000) 4.438 10.983 ( -2.347 1.165 0.000) 2.620 10.983 ( 2.347 1.165 0.000) 2.620 15.826 ( -0.039 0.234 0.000) 0.238 15.826 ( 0.039 0.234 0.000) 0.238 15.848 ( -0.061 -0.729 0.000) 0.732 15.848 ( 0.061 -0.729 0.000) 0.732 23.152 ( -0.476 1.960 0.000) 2.017 23.152 ( 0.476 1.960 0.000) 2.017 23.302 ( -1.204 -4.562 0.000) 4.718 23.302 ( 1.204 -4.562 0.000) 4.718 23.737 ( -5.040 4.694 0.000) 6.887 23.737 ( 5.040 4.694 0.000) 6.887 23.863 ( -10.153 0.108 0.000) 10.154 23.863 ( 10.153 0.108 0.000) 10.154 24.420 ( -0.311 3.874 0.000) 3.887 24.420 ( 0.311 3.874 0.000) 3.887 24.725 ( -5.168 -8.578 0.000) 10.014 24.725 ( 5.168 -8.578 0.000) 10.014 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 -7.390 0.000) 7.390 1.148 ( 0.000 7.390 0.000) 7.390 1.241 ( 0.000 -6.841 0.000) 6.841 1.241 ( 0.000 6.841 0.000) 6.841 1.289 ( 0.000 -4.991 0.000) 4.991 1.289 ( 0.000 4.991 0.000) 4.991 1.436 ( 0.000 -1.327 0.000) 1.327 1.436 ( 0.000 1.327 0.000) 1.327 1.540 ( 0.000 -3.108 0.000) 3.108 1.540 ( 0.000 3.108 0.000) 3.108 1.580 ( 0.000 -3.815 0.000) 3.815 1.580 ( 0.000 3.815 0.000) 3.815 1.687 ( 0.000 -5.229 0.000) 5.229 1.687 ( 0.000 5.229 0.000) 5.229 1.697 ( 0.000 -4.125 0.000) 4.125 1.697 ( 0.000 4.125 0.000) 4.125 2.043 ( 0.000 -0.442 0.000) 0.442 2.043 ( 0.000 0.442 0.000) 0.442 2.113 ( 0.000 -1.774 0.000) 1.774 2.113 ( 0.000 1.774 0.000) 1.774 2.184 ( 0.000 -10.019 0.000) 10.019 2.184 ( 0.000 10.019 0.000) 10.019 2.192 ( 0.000 -0.333 0.000) 0.333 2.192 ( 0.000 0.333 0.000) 0.333 2.493 ( 0.000 -2.507 0.000) 2.507 2.493 ( 0.000 2.507 0.000) 2.507 2.561 ( 0.000 -1.378 0.000) 1.378 2.561 ( 0.000 1.378 0.000) 1.378 2.769 ( 0.000 -4.396 0.000) 4.396 2.769 ( 0.000 4.396 0.000) 4.396 2.930 ( 0.000 -2.752 0.000) 2.752 2.930 ( 0.000 2.752 0.000) 2.752 3.034 ( 0.000 -1.980 0.000) 1.980 3.034 ( 0.000 1.980 0.000) 1.980 3.154 ( 0.000 -1.178 0.000) 1.178 3.154 ( 0.000 1.178 0.000) 1.178 3.155 ( 0.000 -0.328 0.000) 0.328 3.155 ( 0.000 0.328 0.000) 0.328 3.337 ( 0.000 -0.204 0.000) 0.204 3.337 ( 0.000 0.204 0.000) 0.204 3.636 ( 0.000 -5.371 0.000) 5.371 3.636 ( 0.000 5.371 0.000) 5.371 3.640 ( 0.000 -2.797 0.000) 2.797 3.640 ( 0.000 2.797 0.000) 2.797 3.723 ( 0.000 -0.921 0.000) 0.921 3.723 ( 0.000 0.921 0.000) 0.921 4.148 ( 0.000 -17.462 0.000) 17.462 4.148 ( 0.000 17.462 0.000) 17.462 7.044 ( 0.000 -1.144 0.000) 1.144 7.044 ( 0.000 1.144 0.000) 1.144 7.153 ( 0.000 -1.777 0.000) 1.777 7.153 ( 0.000 1.777 0.000) 1.777 7.498 ( 0.000 -1.876 0.000) 1.876 7.498 ( 0.000 1.876 0.000) 1.876 7.560 ( 0.000 -1.703 0.000) 1.703 7.560 ( 0.000 1.703 0.000) 1.703 10.482 ( 0.000 -0.750 0.000) 0.750 10.482 ( 0.000 0.750 0.000) 0.750 10.575 ( 0.000 -0.989 0.000) 0.989 10.575 ( 0.000 0.989 0.000) 0.989 10.670 ( 0.000 -0.303 0.000) 0.303 10.670 ( 0.000 0.303 0.000) 0.303 10.781 ( 0.000 -1.899 0.000) 1.899 10.781 ( 0.000 1.899 0.000) 1.899 10.930 ( 0.000 -0.367 0.000) 0.367 10.930 ( 0.000 0.367 0.000) 0.367 11.152 ( 0.000 -0.485 0.000) 0.485 11.152 ( 0.000 0.485 0.000) 0.485 15.810 ( 0.000 -0.129 0.000) 0.129 15.810 ( 0.000 0.129 0.000) 0.129 15.819 ( 0.000 -0.303 0.000) 0.303 15.819 ( 0.000 0.303 0.000) 0.303 23.154 ( 0.000 -1.267 0.000) 1.267 23.154 ( 0.000 1.267 0.000) 1.267 23.259 ( 0.000 -7.168 0.000) 7.168 23.259 ( 0.000 7.168 0.000) 7.168 23.692 ( 0.000 -0.811 0.000) 0.811 23.692 ( 0.000 0.811 0.000) 0.811 23.968 ( 0.000 -2.637 0.000) 2.637 23.968 ( 0.000 2.637 0.000) 2.637 24.197 ( 0.000 -5.781 0.000) 5.781 24.197 ( 0.000 5.781 0.000) 5.781 24.656 ( 0.000 -10.111 0.000) 10.111 24.656 ( 0.000 10.111 0.000) 10.111 ======================= Grid point 30 (18/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.884 -5.209 0.000) 5.283 1.158 ( 0.884 5.209 0.000) 5.283 1.235 ( -1.012 -6.958 0.000) 7.031 1.235 ( -1.012 6.958 0.000) 7.031 1.307 ( 2.365 -1.415 0.000) 2.756 1.307 ( 2.365 1.415 0.000) 2.756 1.411 ( -1.419 -1.349 0.000) 1.958 1.411 ( -1.419 1.349 0.000) 1.958 1.543 ( 0.459 -3.267 0.000) 3.299 1.543 ( 0.459 3.267 0.000) 3.299 1.574 ( -0.462 -2.795 0.000) 2.833 1.574 ( -0.462 2.795 0.000) 2.833 1.715 ( 1.061 -3.013 0.000) 3.194 1.715 ( 1.061 3.013 0.000) 3.194 1.736 ( 3.148 -3.752 0.000) 4.897 1.736 ( 3.148 3.752 0.000) 4.897 2.016 ( -0.995 -2.794 0.000) 2.966 2.016 ( -0.995 2.794 0.000) 2.966 2.072 ( -3.207 -3.417 0.000) 4.686 2.072 ( -3.207 3.417 0.000) 4.686 2.242 ( 4.379 -2.889 0.000) 5.247 2.242 ( 4.379 2.889 0.000) 5.247 2.259 ( 5.409 -7.321 0.000) 9.102 2.259 ( 5.409 7.321 0.000) 9.102 2.511 ( 1.402 -2.667 0.000) 3.013 2.511 ( 1.402 2.667 0.000) 3.013 2.552 ( -0.779 -1.935 0.000) 2.086 2.552 ( -0.779 1.935 0.000) 2.086 2.785 ( 1.862 -3.715 0.000) 4.156 2.785 ( 1.862 3.715 0.000) 4.156 2.920 ( -0.635 -2.250 0.000) 2.338 2.920 ( -0.635 2.251 0.000) 2.338 3.032 ( -0.233 -1.649 0.000) 1.666 3.032 ( -0.233 1.649 0.000) 1.666 3.133 ( -1.562 -0.402 0.000) 1.613 3.133 ( -1.562 0.402 0.000) 1.613 3.154 ( -0.007 -1.871 0.000) 1.871 3.154 ( -0.007 1.871 0.000) 1.871 3.344 ( -0.541 -0.460 0.000) 0.710 3.344 ( -0.541 0.460 0.000) 0.710 3.612 ( -1.713 -4.549 0.000) 4.861 3.612 ( -1.713 4.549 0.000) 4.861 3.639 ( -0.541 -1.545 0.000) 1.637 3.639 ( -0.541 1.545 0.000) 1.637 3.780 ( 5.392 -1.381 0.000) 5.566 3.780 ( 5.392 1.381 0.000) 5.566 4.146 ( -0.299 -17.125 0.000) 17.128 4.146 ( -0.299 17.125 0.000) 17.128 7.057 ( 1.178 -1.214 0.000) 1.691 7.057 ( 1.178 1.214 0.000) 1.691 7.149 ( -0.417 -1.898 0.000) 1.944 7.149 ( -0.417 1.898 0.000) 1.944 7.507 ( 0.826 -2.237 0.000) 2.385 7.507 ( 0.826 2.237 0.000) 2.385 7.557 ( -0.239 -1.433 0.000) 1.453 7.557 ( -0.239 1.433 0.000) 1.453 10.481 ( -0.129 -0.648 0.000) 0.660 10.481 ( -0.129 0.648 0.000) 0.660 10.564 ( -1.152 -1.135 0.000) 1.617 10.564 ( -1.152 1.135 0.000) 1.617 10.665 ( -0.404 -0.574 0.000) 0.701 10.665 ( -0.404 0.574 0.000) 0.701 10.760 ( -1.932 -1.888 0.000) 2.701 10.760 ( -1.932 1.888 0.000) 2.701 10.920 ( -0.493 -0.477 0.000) 0.686 10.920 ( -0.493 0.477 0.000) 0.686 11.123 ( -2.644 -0.558 0.000) 2.702 11.123 ( -2.644 0.558 0.000) 2.702 15.815 ( 0.513 -0.307 0.000) 0.598 15.815 ( 0.513 0.307 0.000) 0.598 15.824 ( 0.417 -0.399 0.000) 0.577 15.824 ( 0.417 0.399 0.000) 0.577 23.170 ( 1.391 -1.935 0.000) 2.383 23.170 ( 1.391 1.935 0.000) 2.383 23.243 ( -1.261 -6.423 0.000) 6.546 23.243 ( -1.261 6.423 0.000) 6.546 23.676 ( -0.582 -0.615 0.000) 0.847 23.676 ( -0.582 0.615 0.000) 0.847 23.991 ( 1.059 -4.837 0.000) 4.952 23.991 ( 1.059 4.837 0.000) 4.952 24.283 ( 7.243 -5.389 0.000) 9.028 24.283 ( 7.243 5.389 0.000) 9.028 24.624 ( -2.401 -10.860 0.000) 11.122 24.624 ( -2.401 10.860 0.000) 11.122 ======================= Grid point 32 (19/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.940 -1.015 0.000) 1.383 1.179 ( 0.940 1.015 0.000) 1.383 1.211 ( -0.997 -6.340 0.000) 6.417 1.211 ( -0.997 6.340 0.000) 6.417 1.371 ( 3.020 -1.416 0.000) 3.335 1.371 ( 3.020 1.416 0.000) 3.335 1.400 ( 0.279 -2.707 0.000) 2.722 1.400 ( 0.279 2.707 0.000) 2.722 1.559 ( 1.011 -4.258 0.000) 4.377 1.559 ( 1.011 4.258 0.000) 4.377 1.569 ( 0.113 -1.339 0.000) 1.344 1.569 ( 0.113 1.339 0.000) 1.344 1.717 ( -0.699 -3.113 0.000) 3.190 1.717 ( -0.699 3.113 0.000) 3.190 1.762 ( -1.212 -2.461 0.000) 2.743 1.762 ( -1.212 2.461 0.000) 2.743 2.021 ( 0.871 -1.796 0.000) 1.996 2.021 ( 0.871 1.796 0.000) 1.996 2.022 ( -0.846 -3.042 0.000) 3.158 2.022 ( -0.846 3.042 0.000) 3.158 2.342 ( 4.417 -2.477 0.000) 5.064 2.342 ( 4.417 2.477 0.000) 5.064 2.358 ( 3.646 -5.610 0.000) 6.690 2.358 ( 3.646 5.610 0.000) 6.690 2.535 ( 0.680 -3.147 0.000) 3.220 2.535 ( 0.680 3.147 0.000) 3.220 2.538 ( -0.369 -3.117 0.000) 3.138 2.538 ( -0.369 3.117 0.000) 3.138 2.849 ( 3.996 -3.338 0.000) 5.206 2.849 ( 3.996 3.338 0.000) 5.206 2.916 ( 0.259 -1.409 0.000) 1.433 2.916 ( 0.259 1.409 0.000) 1.433 3.029 ( 0.223 -2.388 0.000) 2.398 3.029 ( 0.223 2.388 0.000) 2.398 3.102 ( -1.587 -0.685 0.000) 1.728 3.102 ( -1.587 0.685 0.000) 1.728 3.157 ( 0.508 -2.621 0.000) 2.670 3.157 ( 0.508 2.621 0.000) 2.670 3.282 ( -4.992 -1.008 0.000) 5.093 3.282 ( -4.992 1.008 0.000) 5.093 3.592 ( -0.091 -1.845 0.000) 1.847 3.592 ( -0.091 1.845 0.000) 1.847 3.619 ( -1.090 -0.919 0.000) 1.425 3.619 ( -1.090 0.919 0.000) 1.425 3.917 ( 7.130 -4.953 0.000) 8.681 3.917 ( 7.130 4.953 0.000) 8.681 4.124 ( -2.181 -14.366 0.000) 14.531 4.124 ( -2.181 14.366 0.000) 14.531 7.086 ( 1.454 -1.550 0.000) 2.126 7.086 ( 1.454 1.550 0.000) 2.126 7.136 ( -0.867 -2.045 0.000) 2.221 7.136 ( -0.867 2.045 0.000) 2.221 7.526 ( 0.932 -2.334 0.000) 2.514 7.526 ( 0.932 2.334 0.000) 2.514 7.551 ( -0.348 -0.968 0.000) 1.029 7.551 ( -0.348 0.968 0.000) 1.029 10.478 ( -0.016 -0.556 0.000) 0.556 10.478 ( -0.016 0.556 0.000) 0.556 10.526 ( -2.311 -1.196 0.000) 2.602 10.526 ( -2.311 1.196 0.000) 2.602 10.660 ( 0.125 -0.596 0.000) 0.609 10.660 ( 0.125 0.596 0.000) 0.609 10.713 ( -2.353 -1.533 0.000) 2.808 10.713 ( -2.353 1.533 0.000) 2.808 10.930 ( 1.661 -1.357 0.000) 2.145 10.930 ( 1.661 1.357 0.000) 2.145 11.055 ( -3.618 -0.681 0.000) 3.682 11.055 ( -3.618 0.681 0.000) 3.682 15.827 ( 0.538 -0.483 0.000) 0.724 15.827 ( 0.538 0.483 0.000) 0.724 15.832 ( 0.324 -0.518 0.000) 0.611 15.832 ( 0.324 0.518 0.000) 0.611 23.199 ( 1.101 -3.031 0.000) 3.224 23.199 ( 1.101 3.031 0.000) 3.224 23.221 ( -0.681 -5.032 0.000) 5.078 23.221 ( -0.681 5.032 0.000) 5.078 23.703 ( 3.614 -1.289 0.000) 3.837 23.703 ( 3.614 1.289 0.000) 3.837 23.957 ( -4.834 -5.807 0.000) 7.556 23.957 ( -4.834 5.807 0.000) 7.556 24.443 ( 7.216 -5.925 0.000) 9.337 24.443 ( 7.216 5.925 0.000) 9.337 24.588 ( -1.056 -10.638 0.000) 10.690 24.588 ( -1.056 10.638 0.000) 10.690 ======================= Grid point 34 (20/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -0.681 -4.459 0.000) 4.510 1.195 ( 0.681 -4.459 0.000) 4.510 1.195 ( -0.681 4.459 0.000) 4.510 1.195 ( 0.681 4.459 0.000) 4.510 1.406 ( -0.277 -2.577 0.000) 2.592 1.406 ( 0.277 -2.577 0.000) 2.592 1.406 ( -0.277 2.577 0.000) 2.592 1.406 ( 0.277 2.577 0.000) 2.592 1.574 ( -0.114 -2.832 0.000) 2.834 1.574 ( 0.114 -2.832 0.000) 2.834 1.574 ( -0.114 2.832 0.000) 2.834 1.574 ( 0.114 2.832 0.000) 2.834 1.718 ( -1.560 -1.425 0.000) 2.113 1.718 ( 1.560 -1.425 0.000) 2.113 1.718 ( -1.560 1.425 0.000) 2.113 1.718 ( 1.560 1.425 0.000) 2.113 2.026 ( -0.434 -1.364 0.000) 1.431 2.026 ( 0.434 -1.364 0.000) 1.431 2.026 ( -0.434 1.364 0.000) 1.431 2.026 ( 0.434 1.364 0.000) 1.431 2.395 ( -0.351 -2.923 0.000) 2.944 2.395 ( 0.351 -2.923 0.000) 2.944 2.395 ( -0.351 2.923 0.000) 2.944 2.395 ( 0.351 2.923 0.000) 2.944 2.537 ( -0.200 -3.551 0.000) 3.557 2.537 ( 0.200 -3.551 0.000) 3.557 2.537 ( -0.200 3.551 0.000) 3.557 2.537 ( 0.200 3.551 0.000) 3.557 2.913 ( -1.321 -3.089 0.000) 3.359 2.913 ( 1.321 -3.089 0.000) 3.359 2.913 ( -1.321 3.089 0.000) 3.359 2.913 ( 1.321 3.089 0.000) 3.359 3.058 ( -2.511 -2.926 0.000) 3.856 3.058 ( 2.511 -2.926 0.000) 3.856 3.058 ( -2.511 2.926 0.000) 3.856 3.058 ( 2.511 2.926 0.000) 3.856 3.188 ( -3.035 -2.476 0.000) 3.917 3.188 ( 3.035 -2.476 0.000) 3.917 3.188 ( -3.035 2.476 0.000) 3.917 3.188 ( 3.035 2.476 0.000) 3.917 3.600 ( -0.735 -1.047 0.000) 1.279 3.600 ( 0.735 -1.047 0.000) 1.279 3.600 ( -0.735 1.047 0.000) 1.279 3.600 ( 0.735 1.047 0.000) 1.279 4.048 ( -5.195 -9.620 0.000) 10.933 4.048 ( 5.195 -9.620 0.000) 10.933 4.048 ( -5.195 9.620 0.000) 10.933 4.048 ( 5.195 9.620 0.000) 10.933 7.114 ( -1.250 -1.936 0.000) 2.305 7.114 ( 1.250 -1.936 0.000) 2.305 7.114 ( -1.250 1.936 0.000) 2.305 7.114 ( 1.250 1.936 0.000) 2.305 7.542 ( -0.558 -1.562 0.000) 1.658 7.542 ( 0.558 -1.562 0.000) 1.658 7.542 ( -0.558 1.562 0.000) 1.658 7.542 ( 0.558 1.562 0.000) 1.658 10.487 ( -1.125 -0.894 0.000) 1.437 10.487 ( 1.125 -0.894 0.000) 1.437 10.487 ( -1.125 0.894 0.000) 1.437 10.487 ( 1.125 0.894 0.000) 1.437 10.674 ( -1.278 -0.854 0.000) 1.537 10.674 ( 1.278 -0.854 0.000) 1.537 10.674 ( -1.278 0.854 0.000) 1.537 10.674 ( 1.278 0.854 0.000) 1.537 10.983 ( -3.232 -1.183 0.000) 3.442 10.983 ( -3.232 1.183 0.000) 3.442 10.983 ( 3.232 -1.183 0.000) 3.442 10.983 ( 3.232 1.183 0.000) 3.442 15.835 ( -0.133 -0.551 0.000) 0.567 15.835 ( 0.133 -0.551 0.000) 0.567 15.835 ( -0.133 0.551 0.000) 0.567 15.835 ( 0.133 0.551 0.000) 0.567 23.212 ( -0.326 -3.896 0.000) 3.909 23.212 ( 0.326 -3.896 0.000) 3.909 23.212 ( -0.326 3.896 0.000) 3.909 23.212 ( 0.326 3.896 0.000) 3.909 23.821 ( -7.170 -3.450 0.000) 7.957 23.821 ( -7.170 3.450 0.000) 7.957 23.821 ( 7.170 -3.450 0.000) 7.957 23.821 ( 7.170 3.450 0.000) 7.957 24.552 ( -3.192 -8.020 0.000) 8.632 24.552 ( 3.192 -8.020 0.000) 8.632 24.552 ( -3.192 8.020 0.000) 8.632 24.552 ( 3.192 8.020 0.000) 8.632 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 0.000 0.000 15.912) 15.912 0.320 ( 0.000 0.000 16.731) 16.731 0.554 ( 0.000 0.000 28.264) 28.264 1.103 ( 0.000 0.000 -7.958) 7.958 1.109 ( 0.000 0.000 -11.878) 11.878 1.364 ( 0.000 0.000 3.177) 3.177 1.426 ( 0.000 0.000 3.491) 3.491 1.452 ( 0.000 0.000 0.373) 0.373 1.472 ( 0.000 0.000 2.806) 2.806 1.475 ( 0.000 0.000 -2.797) 2.797 1.545 ( 0.000 0.000 0.397) 0.397 1.619 ( 0.000 0.000 3.529) 3.529 1.719 ( 0.000 0.000 -0.254) 0.254 1.738 ( 0.000 0.000 -3.629) 3.629 1.754 ( 0.000 0.000 -0.404) 0.404 1.806 ( 0.000 0.000 1.205) 1.205 1.859 ( 0.000 0.000 -0.011) 0.011 1.916 ( 0.000 0.000 -6.587) 6.587 1.940 ( 0.000 0.000 -0.490) 0.490 1.940 ( 0.000 0.000 3.227) 3.227 1.948 ( 0.000 0.000 -2.480) 2.480 2.153 ( 0.000 0.000 0.391) 0.391 2.229 ( 0.000 0.000 -3.495) 3.495 2.255 ( 0.000 0.000 1.737) 1.737 2.260 ( 0.000 0.000 -1.537) 1.537 2.366 ( 0.000 0.000 -0.621) 0.621 2.432 ( 0.000 0.000 2.214) 2.214 2.614 ( 0.000 0.000 -0.632) 0.632 2.626 ( 0.000 0.000 -1.465) 1.465 2.641 ( 0.000 0.000 -1.146) 1.146 2.924 ( 0.000 0.000 1.304) 1.304 2.995 ( 0.000 0.000 1.093) 1.093 3.006 ( 0.000 0.000 -0.793) 0.793 3.095 ( 0.000 0.000 3.939) 3.939 3.100 ( 0.000 0.000 0.010) 0.010 3.219 ( 0.000 0.000 0.842) 0.842 3.224 ( 0.000 0.000 -1.126) 1.126 3.290 ( 0.000 0.000 -0.119) 0.119 3.313 ( 0.000 0.000 1.000) 1.000 3.319 ( 0.000 0.000 -1.663) 1.663 3.376 ( 0.000 0.000 -0.458) 0.458 3.387 ( 0.000 0.000 1.055) 1.055 3.419 ( 0.000 0.000 -0.207) 0.207 3.466 ( 0.000 0.000 -5.282) 5.282 3.572 ( 0.000 0.000 2.994) 2.994 3.926 ( 0.000 0.000 -7.284) 7.284 4.414 ( 0.000 0.000 12.061) 12.061 5.019 ( 0.000 0.000 -5.385) 5.385 7.032 ( 0.000 0.000 1.080) 1.080 7.139 ( 0.000 0.000 -1.964) 1.964 7.144 ( 0.000 0.000 0.061) 0.061 7.146 ( 0.000 0.000 -0.005) 0.005 7.275 ( 0.000 0.000 0.142) 0.142 7.285 ( 0.000 0.000 -0.118) 0.118 7.300 ( 0.000 0.000 4.071) 4.071 7.521 ( 0.000 0.000 -1.859) 1.859 10.510 ( 0.000 0.000 -1.200) 1.200 10.518 ( 0.000 0.000 -1.543) 1.543 10.602 ( 0.000 0.000 1.117) 1.117 10.618 ( 0.000 0.000 0.089) 0.089 10.707 ( 0.000 0.000 0.357) 0.357 10.737 ( 0.000 0.000 -0.395) 0.395 10.784 ( 0.000 0.000 -0.323) 0.323 10.785 ( 0.000 0.000 -1.947) 1.947 10.787 ( 0.000 0.000 0.221) 0.221 10.801 ( 0.000 0.000 -0.140) 0.140 10.919 ( 0.000 0.000 3.157) 3.157 11.014 ( 0.000 0.000 -0.261) 0.261 15.812 ( 0.000 0.000 0.257) 0.257 15.830 ( 0.000 0.000 -0.126) 0.126 15.842 ( 0.000 0.000 0.098) 0.098 15.857 ( 0.000 0.000 -0.198) 0.198 23.126 ( 0.000 0.000 2.867) 2.867 23.366 ( 0.000 0.000 -3.188) 3.188 23.416 ( 0.000 0.000 0.045) 0.045 23.429 ( 0.000 0.000 -0.444) 0.444 23.449 ( 0.000 0.000 0.537) 0.537 23.471 ( 0.000 0.000 -0.179) 0.179 23.829 ( 0.000 0.000 1.911) 1.911 24.016 ( 0.000 0.000 -4.369) 4.369 24.281 ( 0.000 0.000 6.931) 6.931 24.549 ( 0.000 0.000 2.540) 2.540 24.684 ( 0.000 0.000 -3.826) 3.826 24.787 ( 0.000 0.000 -2.657) 2.657 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 10.573 0.000 7.681) 13.068 0.454 ( 11.962 0.000 10.167) 15.699 0.869 ( 21.066 0.000 18.206) 27.843 1.096 ( 0.138 0.000 -7.422) 7.423 1.132 ( 1.965 0.000 -10.618) 10.798 1.352 ( -1.354 0.000 2.376) 2.734 1.372 ( -4.186 0.000 2.249) 4.752 1.427 ( -2.483 0.000 -0.996) 2.676 1.459 ( -0.458 0.000 0.056) 0.461 1.509 ( 0.691 0.000 2.081) 2.192 1.589 ( 3.233 0.000 -0.238) 3.242 1.624 ( 0.413 0.000 4.026) 4.047 1.643 ( -6.299 0.000 0.005) 6.299 1.737 ( 1.781 0.000 -0.386) 1.823 1.748 ( -1.051 0.000 -0.818) 1.332 1.775 ( -2.522 0.000 1.648) 3.012 1.811 ( 0.186 0.000 -2.511) 2.517 1.921 ( 1.670 0.000 0.447) 1.728 1.942 ( -0.166 0.000 -1.088) 1.100 1.954 ( 0.044 0.000 -0.771) 0.772 2.065 ( 7.151 0.000 -5.799) 9.207 2.141 ( -1.010 0.000 0.823) 1.303 2.185 ( -2.861 0.000 1.540) 3.250 2.217 ( -1.866 0.000 -3.555) 4.015 2.335 ( 3.190 0.000 -1.529) 3.537 2.378 ( 1.122 0.000 -0.716) 1.331 2.478 ( 2.635 0.000 2.002) 3.309 2.524 ( -8.437 0.000 0.345) 8.444 2.618 ( 0.698 0.000 -0.390) 0.800 2.658 ( 1.340 0.000 -0.692) 1.508 2.921 ( -0.226 0.000 0.962) 0.988 2.962 ( -1.360 0.000 0.828) 1.592 2.992 ( -1.252 0.000 -0.782) 1.476 3.008 ( -3.601 0.000 4.431) 5.709 3.101 ( -1.228 0.000 2.239) 2.554 3.178 ( 2.621 0.000 2.036) 3.319 3.228 ( 0.805 0.000 0.882) 1.194 3.271 ( -3.459 0.000 2.793) 4.446 3.306 ( -0.520 0.000 0.614) 0.805 3.328 ( 0.581 0.000 -1.133) 1.274 3.337 ( -0.129 0.000 -1.006) 1.015 3.374 ( -0.215 0.000 -0.531) 0.573 3.428 ( -0.379 0.000 -0.773) 0.861 3.495 ( -1.348 0.000 -3.279) 3.545 3.701 ( 8.676 0.000 0.410) 8.686 4.045 ( 10.589 0.000 -5.996) 12.169 4.326 ( -4.574 0.000 14.005) 14.733 5.070 ( -1.973 0.000 -12.031) 12.192 7.053 ( 1.804 0.000 1.513) 2.355 7.151 ( 0.692 0.000 0.065) 0.695 7.154 ( 0.743 0.000 -0.014) 0.743 7.175 ( 2.665 0.000 -1.831) 3.233 7.265 ( -0.869 0.000 0.135) 0.880 7.275 ( -0.931 0.000 -0.109) 0.937 7.308 ( 0.238 0.000 4.739) 4.745 7.516 ( -0.634 0.000 -1.398) 1.535 10.498 ( -0.984 0.000 -0.092) 0.989 10.525 ( 0.849 0.000 -1.414) 1.650 10.599 ( 0.049 0.000 1.420) 1.421 10.641 ( 1.333 0.000 -0.721) 1.516 10.710 ( 0.249 0.000 0.315) 0.402 10.736 ( -0.100 0.000 -0.344) 0.358 10.756 ( -2.615 0.000 -0.662) 2.697 10.788 ( 0.041 0.000 0.185) 0.189 10.799 ( -0.161 0.000 -0.116) 0.198 10.800 ( -0.230 0.000 -4.368) 4.374 10.861 ( -3.523 0.000 2.656) 4.412 10.964 ( -4.374 0.000 -0.520) 4.405 15.813 ( 0.210 0.000 0.222) 0.305 15.833 ( 0.011 0.000 -0.325) 0.325 15.848 ( 0.779 0.000 0.353) 0.855 15.867 ( 0.719 0.000 -0.192) 0.744 23.123 ( 0.160 0.000 2.795) 2.800 23.338 ( -2.883 0.000 -0.189) 2.889 23.419 ( 0.260 0.000 0.040) 0.264 23.430 ( 0.112 0.000 -0.384) 0.400 23.448 ( -0.063 0.000 0.472) 0.476 23.468 ( -0.272 0.000 -0.167) 0.319 23.477 ( -10.425 0.000 14.447) 17.816 23.991 ( -5.114 0.000 -6.881) 8.574 24.320 ( 5.996 0.000 8.367) 10.293 24.569 ( 3.296 0.000 4.612) 5.669 24.737 ( 5.152 0.000 -4.145) 6.613 25.130 ( 9.477 0.000 -16.759) 19.253 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 14.731 0.000 -1.158) 14.777 0.722 ( 13.221 0.000 5.564) 14.344 1.067 ( -1.425 0.000 -8.058) 8.183 1.146 ( -3.311 0.000 -3.267) 4.651 1.272 ( 5.740 0.000 6.491) 8.664 1.290 ( -3.199 0.000 -1.829) 3.685 1.294 ( -0.942 0.000 -2.775) 2.930 1.406 ( 5.648 0.000 1.642) 5.882 1.423 ( -2.987 0.000 -2.579) 3.946 1.516 ( -2.485 0.000 4.074) 4.773 1.536 ( 3.896 0.000 5.246) 6.535 1.639 ( 1.119 0.000 4.744) 4.874 1.685 ( 3.754 0.000 -0.027) 3.754 1.719 ( -2.630 0.000 2.804) 3.844 1.739 ( 0.207 0.000 -0.916) 0.939 1.792 ( 3.349 0.000 -0.942) 3.479 1.843 ( 1.588 0.000 -3.164) 3.540 1.921 ( -1.993 0.000 -1.813) 2.695 1.939 ( 0.062 0.000 -1.994) 1.995 1.983 ( 2.418 0.000 2.038) 3.163 2.085 ( -3.412 0.000 -0.353) 3.430 2.122 ( -0.592 0.000 1.774) 1.870 2.140 ( -1.542 0.000 2.234) 2.715 2.253 ( -8.925 0.000 0.402) 8.934 2.314 ( 2.680 0.000 -4.478) 5.219 2.382 ( 1.535 0.000 -2.065) 2.573 2.403 ( 0.836 0.000 -1.669) 1.867 2.519 ( -0.377 0.000 -1.814) 1.853 2.648 ( 2.014 0.000 0.317) 2.039 2.684 ( 0.908 0.000 -0.068) 0.910 2.917 ( -0.059 0.000 0.237) 0.244 2.958 ( -1.859 0.000 -0.657) 1.971 2.969 ( 1.787 0.000 -0.200) 1.798 3.001 ( 1.570 0.000 1.700) 2.314 3.082 ( -1.190 0.000 1.480) 1.899 3.148 ( -3.663 0.000 2.514) 4.443 3.249 ( 1.156 0.000 0.909) 1.471 3.258 ( 0.843 0.000 0.909) 1.239 3.292 ( -0.803 0.000 0.762) 1.107 3.336 ( -0.922 0.000 0.859) 1.260 3.341 ( 0.719 0.000 -0.996) 1.228 3.367 ( -0.446 0.000 -0.688) 0.820 3.412 ( 0.107 0.000 -0.629) 0.638 3.472 ( -0.773 0.000 -1.373) 1.576 3.880 ( 8.734 0.000 3.126) 9.277 4.185 ( -3.926 0.000 10.181) 10.911 4.359 ( 13.134 0.000 -5.259) 14.148 4.928 ( -10.679 0.000 -9.749) 14.460 7.099 ( 2.520 0.000 2.066) 3.258 7.171 ( 1.205 0.000 0.071) 1.207 7.175 ( 1.243 0.000 -0.034) 1.243 7.199 ( -1.061 0.000 0.437) 1.148 7.241 ( -1.340 0.000 0.116) 1.345 7.249 ( -1.473 0.000 -0.082) 1.476 7.342 ( 3.566 0.000 2.930) 4.615 7.489 ( -2.169 0.000 -0.661) 2.267 10.488 ( 0.114 0.000 0.482) 0.495 10.530 ( -0.614 0.000 -0.719) 0.945 10.608 ( 0.924 0.000 0.196) 0.945 10.663 ( 0.117 0.000 -0.181) 0.215 10.701 ( -1.358 0.000 0.044) 1.359 10.717 ( 0.410 0.000 0.192) 0.453 10.733 ( -0.261 0.000 -0.196) 0.327 10.767 ( -2.001 0.000 -3.691) 4.198 10.789 ( 0.089 0.000 0.100) 0.134 10.795 ( -0.210 0.000 -0.059) 0.218 10.808 ( -1.931 0.000 -0.010) 1.931 10.864 ( -4.583 0.000 -0.620) 4.625 15.820 ( 0.442 0.000 0.121) 0.458 15.832 ( -0.071 0.000 -0.173) 0.187 15.867 ( 0.900 0.000 0.182) 0.918 15.880 ( 0.380 0.000 -0.131) 0.402 23.142 ( 1.614 0.000 3.148) 3.537 23.254 ( -3.883 0.000 7.086) 8.080 23.426 ( 0.359 0.000 0.034) 0.361 23.433 ( 0.092 0.000 -0.193) 0.213 23.447 ( 0.032 0.000 0.252) 0.254 23.448 ( 4.171 0.000 -0.056) 4.172 23.461 ( -0.446 0.000 -0.128) 0.464 23.811 ( -10.771 0.000 -5.335) 12.020 24.489 ( 8.255 0.000 5.748) 10.059 24.627 ( 1.570 0.000 4.581) 4.843 24.884 ( 8.526 0.000 -4.148) 9.481 25.173 ( -2.869 0.000 -9.321) 9.753 ======================= Grid point 66 (24/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -11.398 0.000 -3.701) 11.984 0.932 ( 11.398 0.000 -3.701) 11.984 0.978 ( -11.151 0.000 2.904) 11.523 0.978 ( 11.151 0.000 2.904) 11.523 1.254 ( -1.781 0.000 -5.008) 5.315 1.254 ( 1.781 0.000 -5.008) 5.315 1.346 ( -4.045 0.000 -5.127) 6.530 1.346 ( 4.045 0.000 -5.127) 6.530 1.480 ( -1.220 0.000 5.188) 5.329 1.480 ( 1.220 0.000 5.188) 5.329 1.671 ( -1.972 0.000 4.168) 4.611 1.671 ( 1.972 0.000 4.168) 4.611 1.734 ( -0.793 0.000 -0.659) 1.031 1.734 ( 0.793 0.000 -0.659) 1.031 1.797 ( -10.295 0.000 3.053) 10.738 1.797 ( 10.295 0.000 3.053) 10.738 1.864 ( -3.341 0.000 -1.621) 3.714 1.864 ( 3.341 0.000 -1.621) 3.714 1.974 ( -5.890 0.000 1.742) 6.142 1.974 ( 5.890 0.000 1.742) 6.142 2.039 ( -3.478 0.000 1.212) 3.683 2.039 ( 3.478 0.000 1.212) 3.683 2.120 ( -0.417 0.000 2.281) 2.319 2.120 ( 0.417 0.000 2.281) 2.319 2.404 ( -0.590 0.000 -2.114) 2.195 2.404 ( 0.590 0.000 -2.114) 2.195 2.454 ( -5.753 0.000 -5.914) 8.251 2.454 ( 5.753 0.000 -5.914) 8.251 2.684 ( -1.060 0.000 0.395) 1.131 2.684 ( 1.060 0.000 0.395) 1.131 2.926 ( -1.041 0.000 -0.354) 1.099 2.926 ( 1.041 0.000 -0.354) 1.099 3.015 ( -1.721 0.000 1.550) 2.316 3.015 ( 1.721 0.000 1.550) 2.316 3.079 ( -2.433 0.000 0.484) 2.481 3.079 ( 2.433 0.000 0.484) 2.481 3.273 ( -1.080 0.000 0.860) 1.381 3.273 ( 1.080 0.000 0.860) 1.381 3.290 ( -2.292 0.000 1.196) 2.586 3.290 ( 2.292 0.000 1.196) 2.586 3.356 ( -0.653 0.000 -0.841) 1.065 3.356 ( 0.653 0.000 -0.841) 1.065 3.445 ( -1.882 0.000 -0.747) 2.025 3.445 ( 1.882 0.000 -0.747) 2.025 4.053 ( -7.722 0.000 7.668) 10.883 4.053 ( 7.722 0.000 7.668) 10.883 4.662 ( -14.549 0.000 -7.925) 16.567 4.662 ( 14.549 0.000 -7.925) 16.567 7.154 ( -2.721 0.000 2.107) 3.442 7.154 ( 2.721 0.000 2.107) 3.442 7.193 ( -0.329 0.000 0.023) 0.330 7.193 ( 0.329 0.000 0.023) 0.330 7.224 ( -0.421 0.000 0.012) 0.421 7.224 ( 0.421 0.000 0.012) 0.421 7.425 ( -3.860 0.000 0.420) 3.883 7.425 ( 3.860 0.000 0.420) 3.883 10.504 ( -1.387 0.000 0.276) 1.414 10.504 ( 1.387 0.000 0.276) 1.414 10.636 ( -1.635 0.000 0.104) 1.638 10.636 ( 1.635 0.000 0.104) 1.638 10.723 ( -2.289 0.000 -2.195) 3.171 10.723 ( 2.289 0.000 -2.195) 3.171 10.725 ( -0.409 0.000 0.006) 0.409 10.725 ( 0.409 0.000 0.006) 0.409 10.792 ( -0.157 0.000 0.012) 0.157 10.792 ( 0.157 0.000 0.012) 0.157 10.799 ( -1.478 0.000 -0.404) 1.532 10.799 ( 1.478 0.000 -0.404) 1.532 15.828 ( -0.294 0.000 -0.017) 0.294 15.828 ( 0.294 0.000 -0.017) 0.294 15.880 ( -0.329 0.000 0.000) 0.329 15.880 ( 0.329 0.000 0.000) 0.329 23.187 ( -2.726 0.000 4.925) 5.630 23.187 ( 2.726 0.000 4.925) 5.630 23.432 ( -0.201 0.000 0.013) 0.202 23.432 ( 0.201 0.000 0.013) 0.202 23.452 ( -0.382 0.000 -0.029) 0.383 23.452 ( 0.382 0.000 -0.029) 0.383 23.594 ( -9.445 0.000 -3.252) 9.989 23.594 ( 9.445 0.000 -3.252) 9.989 24.612 ( -3.335 0.000 4.487) 5.591 24.612 ( 3.335 0.000 4.487) 5.591 25.059 ( -7.641 0.000 -5.457) 9.390 25.059 ( 7.641 0.000 -5.457) 9.390 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 0.000 11.666 9.768) 15.216 0.481 ( 0.000 12.866 10.533) 16.628 0.830 ( 0.000 20.974 17.375) 27.236 1.120 ( 0.000 0.922 -10.407) 10.448 1.125 ( 0.000 2.519 -6.437) 6.913 1.376 ( 0.000 1.252 2.988) 3.240 1.394 ( 0.000 -2.155 2.866) 3.585 1.444 ( 0.000 -0.491 0.068) 0.495 1.461 ( 0.000 -1.742 -1.074) 2.047 1.497 ( 0.000 1.932 2.644) 3.275 1.566 ( 0.000 0.822 -0.747) 1.111 1.638 ( 0.000 2.568 2.364) 3.490 1.669 ( 0.000 -3.673 -1.969) 4.168 1.755 ( 0.000 1.229 -3.002) 3.244 1.760 ( 0.000 -0.938 1.929) 2.145 1.828 ( 0.000 -1.701 1.059) 2.004 1.868 ( 0.000 2.641 0.628) 2.715 1.879 ( 0.000 -1.002 2.800) 2.974 1.936 ( 0.000 1.601 -3.127) 3.513 1.983 ( 0.000 5.222 -5.514) 7.594 2.025 ( 0.000 2.901 -0.871) 3.029 2.149 ( 0.000 -4.018 -1.314) 4.228 2.288 ( 0.000 5.415 -0.718) 5.462 2.299 ( 0.000 5.515 -0.680) 5.556 2.318 ( 0.000 3.180 -1.819) 3.664 2.390 ( 0.000 2.065 -0.397) 2.103 2.422 ( 0.000 -1.021 1.428) 1.755 2.602 ( 0.000 -1.965 -1.484) 2.463 2.662 ( 0.000 4.112 -1.620) 4.419 2.707 ( 0.000 5.216 -4.206) 6.700 2.874 ( 0.000 -5.292 3.336) 6.256 2.977 ( 0.000 -1.094 1.562) 1.907 3.021 ( 0.000 1.400 -1.052) 1.751 3.068 ( 0.000 -1.414 5.910) 6.077 3.109 ( 0.000 0.716 -0.026) 0.717 3.150 ( 0.000 -2.088 1.606) 2.634 3.198 ( 0.000 -2.741 -1.538) 3.143 3.292 ( 0.000 6.266 0.556) 6.291 3.320 ( 0.000 -0.940 -1.700) 1.942 3.330 ( 0.000 0.549 2.598) 2.655 3.381 ( 0.000 2.560 -1.844) 3.155 3.396 ( 0.000 -1.608 -1.139) 1.970 3.487 ( 0.000 3.614 -0.708) 3.682 3.533 ( 0.000 2.187 -1.877) 2.882 3.586 ( 0.000 1.469 1.183) 1.886 3.881 ( 0.000 -4.030 -6.254) 7.440 4.326 ( 0.000 -7.948 11.726) 14.166 4.917 ( 0.000 -7.553 -5.106) 9.117 7.013 ( 0.000 -0.872 0.462) 0.987 7.104 ( 0.000 -1.706 -2.098) 2.704 7.200 ( 0.000 2.699 1.407) 3.044 7.202 ( 0.000 4.684 0.181) 4.688 7.265 ( 0.000 0.553 0.481) 0.733 7.292 ( 0.000 -0.159 0.074) 0.175 7.355 ( 0.000 4.437 2.149) 4.930 7.520 ( 0.000 0.157 -1.230) 1.240 10.485 ( 0.000 -1.254 -1.596) 2.030 10.492 ( 0.000 -1.367 -1.045) 1.720 10.597 ( 0.000 -0.438 1.379) 1.447 10.612 ( 0.000 -0.366 -0.402) 0.544 10.736 ( 0.000 -0.506 -0.502) 0.712 10.742 ( 0.000 -1.528 -0.066) 1.529 10.749 ( 0.000 -1.346 -0.603) 1.475 10.775 ( 0.000 2.135 0.815) 2.285 10.834 ( 0.000 2.472 0.140) 2.476 10.863 ( 0.000 4.602 -0.007) 4.602 10.940 ( 0.000 2.786 1.502) 3.165 11.009 ( 0.000 -0.175 -0.366) 0.406 15.811 ( 0.000 -0.025 0.256) 0.257 15.829 ( 0.000 -0.055 -0.123) 0.135 15.837 ( 0.000 -0.458 0.140) 0.479 15.851 ( 0.000 -0.601 -0.164) 0.623 23.087 ( 0.000 -2.065 1.717) 2.685 23.310 ( 0.000 -3.619 -3.149) 4.797 23.333 ( 0.000 -4.040 7.880) 8.855 23.477 ( 0.000 2.608 0.001) 2.608 23.502 ( 0.000 4.416 -0.459) 4.440 23.503 ( 0.000 2.874 0.001) 2.874 23.856 ( 0.000 2.617 1.657) 3.098 24.018 ( 0.000 0.015 -3.978) 3.978 24.255 ( 0.000 -2.386 6.532) 6.954 24.485 ( 0.000 -5.364 3.300) 6.298 24.630 ( 0.000 -5.072 -3.582) 6.209 24.873 ( 0.000 2.872 -9.644) 10.063 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.17 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 5.296 11.073 7.778) 14.531 0.558 ( 9.783 9.094 7.510) 15.324 1.051 ( 12.700 12.379 5.812) 18.663 1.115 ( 4.526 4.992 -0.915) 6.800 1.175 ( 3.037 2.953 -8.351) 9.364 1.332 ( -3.256 -1.696 3.325) 4.953 1.383 ( -2.401 1.287 0.947) 2.884 1.424 ( -1.608 -0.024 -1.035) 1.912 1.458 ( -0.386 -0.358 -0.796) 0.954 1.515 ( 1.536 0.111 3.318) 3.657 1.570 ( -0.085 -0.385 -0.015) 0.395 1.640 ( -0.565 -0.065 2.429) 2.495 1.665 ( -4.378 1.152 0.868) 4.610 1.691 ( 1.722 -1.104 -0.167) 2.053 1.789 ( 1.346 1.246 -0.792) 1.998 1.806 ( 0.282 -1.188 -0.106) 1.226 1.822 ( -2.345 1.719 -0.629) 2.975 1.918 ( 2.119 -0.752 1.491) 2.698 1.945 ( -1.967 5.493 -1.541) 6.034 1.992 ( 0.883 2.023 -2.150) 3.082 2.060 ( 1.538 -1.037 -3.308) 3.793 2.143 ( 1.594 0.734 -1.824) 2.531 2.237 ( -2.748 4.150 1.061) 5.089 2.280 ( -0.806 5.007 -1.512) 5.292 2.367 ( 2.107 2.688 -1.573) 3.760 2.408 ( 1.597 2.285 -0.772) 2.893 2.458 ( 2.003 -1.645 1.394) 2.943 2.510 ( -7.430 -0.980 0.421) 7.506 2.660 ( -0.156 3.464 -1.270) 3.693 2.723 ( 1.053 5.409 -2.459) 6.034 2.876 ( 1.068 -4.155 3.215) 5.361 2.951 ( -1.266 -0.740 0.329) 1.503 2.995 ( -2.461 0.117 2.304) 3.373 3.012 ( -1.472 1.450 -0.732) 2.192 3.101 ( -0.930 0.184 2.319) 2.505 3.146 ( 0.916 -1.334 -0.248) 1.637 3.231 ( -0.850 -2.426 1.116) 2.803 3.290 ( 0.059 2.733 -0.661) 2.812 3.326 ( 0.843 2.489 0.088) 2.629 3.345 ( 0.972 0.682 0.047) 1.188 3.381 ( -0.524 2.535 -2.086) 3.325 3.398 ( 0.915 0.528 0.159) 1.069 3.458 ( -1.661 4.390 1.016) 4.802 3.524 ( -1.334 2.628 -2.162) 3.655 3.687 ( 7.429 -1.092 0.440) 7.522 3.994 ( 9.941 -4.639 -5.308) 12.186 4.246 ( -4.688 -7.186 13.366) 15.883 4.949 ( -0.942 -9.615 -8.764) 13.043 7.036 ( 2.055 -0.955 0.852) 2.421 7.128 ( 1.951 -1.883 -1.762) 3.234 7.207 ( 0.479 4.446 0.219) 4.477 7.213 ( 1.198 2.924 1.100) 3.346 7.271 ( -0.068 -0.410 1.537) 1.592 7.288 ( -0.340 0.628 0.281) 0.768 7.354 ( -0.150 5.103 1.072) 5.216 7.509 ( -1.159 -0.312 -1.034) 1.584 10.481 ( -0.136 -1.070 -0.625) 1.246 10.507 ( 0.908 -1.315 -1.481) 2.179 10.591 ( -0.318 -0.616 1.844) 1.970 10.626 ( 1.112 -0.778 -0.754) 1.552 10.709 ( -1.969 -1.021 -0.254) 2.233 10.727 ( -1.722 -1.992 -0.840) 2.764 10.744 ( -0.550 -1.317 0.048) 1.427 10.784 ( 0.562 2.256 0.103) 2.328 10.821 ( -2.210 2.848 0.968) 3.733 10.850 ( 0.141 2.589 -0.715) 2.690 10.910 ( -2.022 4.143 0.398) 4.627 10.961 ( -4.260 0.075 -0.650) 4.310 15.813 ( 0.210 -0.012 0.213) 0.300 15.830 ( -0.052 -0.250 -0.236) 0.348 15.845 ( 0.834 -0.262 0.278) 0.917 15.861 ( 0.734 -0.592 -0.153) 0.956 23.097 ( 1.027 -1.581 1.782) 2.594 23.281 ( -2.345 -3.011 3.964) 5.503 23.350 ( 1.617 -3.106 0.957) 3.630 23.465 ( -0.999 2.062 -0.193) 2.300 23.485 ( -0.773 3.556 0.256) 3.648 23.502 ( -0.132 3.120 -0.105) 3.124 23.681 ( -9.281 10.609 3.567) 14.540 23.998 ( -4.142 0.922 -6.489) 7.753 24.307 ( 5.971 -1.045 7.901) 9.959 24.507 ( 2.681 -5.657 4.729) 7.846 24.685 ( 5.318 -4.885 -3.864) 8.190 25.038 ( 7.606 -6.602 -11.476) 15.269 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 11.786 4.417 2.276) 12.791 0.793 ( 12.031 6.121 3.896) 14.050 1.079 ( -2.455 1.308 -5.764) 6.400 1.196 ( -4.246 3.640 -1.336) 5.750 1.273 ( 0.615 -1.279 -3.245) 3.542 1.303 ( -4.092 1.530 -2.733) 5.153 1.332 ( -0.018 3.598 -0.982) 3.730 1.407 ( -1.486 0.684 -1.878) 2.491 1.504 ( 4.418 6.413 4.293) 8.893 1.545 ( 5.059 3.161 4.215) 7.304 1.559 ( 3.500 1.906 5.173) 6.530 1.617 ( 1.740 -1.809 1.723) 3.045 1.660 ( 0.712 -2.099 0.515) 2.276 1.740 ( 2.197 0.196 1.208) 2.515 1.778 ( -1.005 0.432 1.215) 1.635 1.807 ( 1.049 2.351 -0.387) 2.603 1.859 ( 2.201 0.507 -2.184) 3.142 1.886 ( -1.439 2.383 -2.144) 3.514 1.964 ( 0.585 1.537 1.011) 1.930 2.000 ( 0.512 2.362 -0.017) 2.417 2.037 ( -2.056 -2.596 -0.608) 3.367 2.189 ( -3.122 2.942 2.302) 4.868 2.192 ( 0.662 3.851 -0.123) 3.909 2.278 ( -10.468 2.589 2.024) 10.971 2.319 ( 4.785 1.723 -5.306) 7.350 2.415 ( 1.004 2.424 -1.349) 2.950 2.440 ( 0.822 3.112 -1.204) 3.437 2.488 ( -0.564 -2.247 -1.629) 2.832 2.678 ( 2.040 2.616 0.429) 3.345 2.739 ( 0.308 4.754 -0.468) 4.787 2.916 ( 1.960 -0.917 0.739) 2.286 2.949 ( 0.845 -0.951 -0.151) 1.281 2.973 ( -0.173 -0.126 0.942) 0.966 2.985 ( -0.668 0.732 -0.985) 1.397 3.079 ( -1.302 -0.074 0.763) 1.511 3.120 ( -2.759 -1.175 1.319) 3.276 3.226 ( 0.988 -2.524 0.113) 2.713 3.300 ( 0.150 1.352 -0.079) 1.363 3.332 ( -0.296 2.283 0.763) 2.425 3.359 ( -1.185 1.321 -0.267) 1.795 3.373 ( 1.347 2.595 -1.292) 3.197 3.419 ( 1.236 1.887 -0.073) 2.257 3.426 ( -1.402 5.602 0.738) 5.822 3.490 ( -1.655 2.320 -0.957) 3.006 3.848 ( 7.901 -2.725 3.173) 8.939 4.113 ( -3.544 -6.244 10.716) 12.899 4.293 ( 13.052 -5.906 -4.828) 15.118 4.834 ( -9.525 -8.227 -8.485) 15.179 7.085 ( 2.560 -0.959 1.377) 3.061 7.158 ( 0.341 -1.615 -0.138) 1.657 7.221 ( 0.788 3.670 0.176) 3.757 7.238 ( 0.332 4.053 -0.179) 4.070 7.268 ( 0.502 -0.128 1.697) 1.775 7.280 ( -0.475 2.485 0.403) 2.562 7.357 ( 1.063 3.460 0.824) 3.712 7.471 ( -2.499 -1.119 -0.570) 2.797 10.482 ( 0.330 -0.504 0.273) 0.661 10.517 ( -0.195 -1.112 -0.848) 1.412 10.588 ( 0.203 -1.633 1.189) 2.030 10.645 ( -0.536 -1.480 0.081) 1.576 10.668 ( -0.804 -1.816 -1.149) 2.294 10.687 ( -1.653 -2.185 -2.005) 3.395 10.723 ( -0.707 -0.599 1.390) 1.671 10.785 ( 0.454 1.507 -0.115) 1.578 10.807 ( -0.549 1.338 0.576) 1.557 10.837 ( -1.830 2.638 -0.859) 3.324 10.868 ( -2.787 3.663 -0.903) 4.690 10.875 ( -1.634 2.488 -0.740) 3.067 15.820 ( 0.412 -0.038 0.118) 0.430 15.830 ( -0.031 -0.209 -0.126) 0.246 15.864 ( 0.844 -0.323 0.160) 0.918 15.874 ( 0.421 -0.543 -0.096) 0.694 23.129 ( 1.941 -0.984 2.523) 3.332 23.228 ( -2.662 -1.705 5.548) 6.386 23.396 ( 2.238 -2.607 -1.432) 3.723 23.445 ( -0.936 0.501 -0.265) 1.094 23.491 ( 1.175 3.722 0.006) 3.903 23.506 ( 1.165 4.625 -0.772) 4.832 23.564 ( -2.354 8.279 1.886) 8.811 23.843 ( -9.677 3.474 -5.283) 11.560 24.461 ( 7.250 -2.374 5.776) 9.568 24.565 ( 2.067 -5.596 4.916) 7.730 24.834 ( 8.427 -4.681 -3.884) 10.392 25.093 ( -1.583 -6.895 -7.898) 10.603 ======================= Grid point 73 (28/60) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -10.184 0.939 -0.735) 10.254 0.929 ( 10.184 0.939 -0.735) 10.254 1.035 ( -9.864 4.382 1.728) 10.931 1.035 ( 9.864 4.382 1.728) 10.931 1.271 ( -1.376 1.376 -4.555) 4.953 1.271 ( 1.376 1.376 -4.555) 4.953 1.352 ( -3.056 1.018 -4.821) 5.798 1.352 ( 3.056 1.018 -4.821) 5.798 1.525 ( -1.002 3.321 4.128) 5.392 1.525 ( 1.002 3.321 4.128) 5.392 1.648 ( -1.317 -2.996 1.040) 3.434 1.648 ( 1.317 -2.996 1.040) 3.434 1.767 ( -0.391 0.581 1.630) 1.774 1.767 ( 0.391 0.581 1.630) 1.774 1.818 ( -3.131 2.617 -1.542) 4.363 1.818 ( 3.131 2.617 -1.542) 4.363 1.893 ( -5.503 4.717 2.022) 7.525 1.893 ( 5.503 4.717 2.022) 7.525 1.978 ( -5.111 1.188 2.853) 5.973 1.978 ( 5.111 1.188 2.853) 5.973 2.019 ( -2.642 -0.690 0.607) 2.797 2.019 ( 2.642 -0.690 0.607) 2.797 2.195 ( -0.412 5.235 1.440) 5.445 2.195 ( 0.412 5.235 1.440) 5.445 2.423 ( -2.838 -0.717 -4.113) 5.048 2.423 ( 2.838 -0.717 -4.113) 5.048 2.446 ( -1.267 2.086 -2.504) 3.497 2.446 ( 1.267 2.086 -2.504) 3.497 2.724 ( -1.819 3.358 0.570) 3.861 2.724 ( 1.819 3.358 0.570) 3.861 2.943 ( -1.010 1.530 -0.785) 1.995 2.943 ( 1.010 1.530 -0.785) 1.995 2.988 ( -0.621 -2.004 1.416) 2.531 2.988 ( 0.621 -2.004 1.416) 2.531 3.069 ( -1.289 -0.264 -0.135) 1.323 3.069 ( 1.289 -0.264 -0.135) 1.323 3.265 ( -2.573 -1.453 0.038) 2.955 3.265 ( 2.573 -1.453 0.038) 2.955 3.338 ( -0.716 2.306 0.165) 2.420 3.338 ( 0.716 2.306 0.165) 2.420 3.400 ( -1.175 4.744 0.011) 4.887 3.400 ( 1.175 4.744 0.011) 4.887 3.454 ( -1.886 1.602 -0.246) 2.487 3.454 ( 1.886 1.602 -0.246) 2.487 4.001 ( -6.638 -4.496 7.792) 11.180 4.001 ( 6.638 -4.496 7.792) 11.180 4.586 ( -13.879 -6.794 -7.173) 17.037 4.586 ( 13.879 -6.794 -7.173) 17.037 7.136 ( -2.121 -1.284 1.521) 2.909 7.136 ( 2.121 -1.284 1.521) 2.909 7.235 ( -0.415 2.799 -0.051) 2.830 7.235 ( 0.415 2.799 -0.051) 2.830 7.273 ( -0.136 4.255 0.237) 4.264 7.273 ( 0.136 4.255 0.237) 4.264 7.409 ( -3.319 -0.796 0.264) 3.424 7.409 ( 3.319 -0.796 0.264) 3.424 10.498 ( -1.188 -0.537 0.341) 1.347 10.498 ( 1.188 -0.537 0.341) 1.347 10.607 ( -1.685 -2.586 0.057) 3.087 10.607 ( 1.685 -2.586 0.057) 3.087 10.671 ( -0.115 -1.542 -1.270) 2.001 10.671 ( 0.115 -1.542 -1.270) 2.001 10.749 ( -3.021 -0.696 0.268) 3.112 10.749 ( 3.021 -0.696 0.268) 3.112 10.808 ( -1.462 2.425 -0.158) 2.837 10.808 ( 1.462 2.425 -0.158) 2.837 10.854 ( -0.686 3.840 -0.896) 4.003 10.854 ( 0.686 3.840 -0.896) 4.003 15.827 ( -0.247 -0.115 -0.003) 0.273 15.827 ( 0.247 -0.115 -0.003) 0.273 15.876 ( -0.270 -0.444 0.016) 0.520 15.876 ( 0.270 -0.444 0.016) 0.520 23.175 ( -2.455 -0.974 4.101) 4.878 23.175 ( 2.455 -0.974 4.101) 4.878 23.426 ( -0.955 -1.425 -0.565) 1.806 23.426 ( 0.955 -1.425 -0.565) 1.806 23.507 ( -0.910 5.220 -0.035) 5.299 23.507 ( 0.910 5.220 -0.035) 5.299 23.645 ( -8.563 4.821 -2.706) 10.193 23.645 ( 8.563 4.821 -2.706) 10.193 24.565 ( -2.485 -4.161 4.717) 6.763 24.565 ( 2.485 -4.161 4.717) 6.763 25.000 ( -6.904 -5.348 -5.001) 10.064 25.000 ( 6.904 -5.348 -5.001) 10.064 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.000 13.609 4.569) 14.356 0.770 ( 0.000 14.372 5.580) 15.417 1.148 ( 0.000 1.912 -6.794) 7.058 1.165 ( 0.000 6.213 -3.608) 7.185 1.293 ( 0.000 16.119 6.925) 17.544 1.348 ( 0.000 -2.598 1.668) 3.087 1.412 ( 0.000 2.112 1.874) 2.824 1.415 ( 0.000 -1.949 0.069) 1.950 1.435 ( 0.000 -0.426 -0.695) 0.815 1.537 ( 0.000 1.651 2.323) 2.850 1.585 ( 0.000 1.151 -1.984) 2.294 1.593 ( 0.000 -2.646 -0.971) 2.819 1.690 ( 0.000 1.466 1.619) 2.184 1.700 ( 0.000 -4.331 3.517) 5.580 1.766 ( 0.000 -0.731 -2.927) 3.017 1.815 ( 0.000 1.504 1.303) 1.990 1.860 ( 0.000 -2.227 -0.188) 2.235 1.902 ( 0.000 2.598 0.280) 2.613 1.975 ( 0.000 0.241 -2.468) 2.479 2.017 ( 0.000 -0.295 -0.406) 0.501 2.058 ( 0.000 0.572 0.328) 0.659 2.201 ( 0.000 6.013 -4.413) 7.459 2.376 ( 0.000 -1.763 -3.931) 4.308 2.391 ( 0.000 2.312 3.490) 4.187 2.392 ( 0.000 5.421 0.200) 5.424 2.414 ( 0.000 5.041 0.233) 5.047 2.455 ( 0.000 4.376 0.198) 4.381 2.537 ( 0.000 -4.837 -0.528) 4.865 2.749 ( 0.000 -4.228 3.901) 5.753 2.752 ( 0.000 4.012 -2.677) 4.823 2.815 ( 0.000 3.195 -6.632) 7.361 2.958 ( 0.000 -0.737 0.790) 1.081 3.047 ( 0.000 -0.041 -3.202) 3.202 3.086 ( 0.000 2.773 3.726) 4.644 3.112 ( 0.000 -4.932 -1.598) 5.184 3.126 ( 0.000 1.005 0.094) 1.009 3.144 ( 0.000 0.626 1.130) 1.292 3.266 ( 0.000 -3.781 -2.701) 4.646 3.341 ( 0.000 0.670 2.735) 2.816 3.362 ( 0.000 -0.510 1.946) 2.011 3.441 ( 0.000 6.702 -1.055) 6.784 3.486 ( 0.000 6.855 -3.353) 7.631 3.555 ( 0.000 1.551 2.200) 2.692 3.592 ( 0.000 5.914 0.535) 5.938 3.613 ( 0.000 1.332 -0.011) 1.332 3.783 ( 0.000 -4.911 -3.798) 6.208 4.133 ( 0.000 -9.567 11.651) 15.076 4.728 ( 0.000 -11.017 -5.359) 12.252 7.007 ( 0.000 0.252 -0.117) 0.278 7.074 ( 0.000 -1.175 -1.924) 2.254 7.189 ( 0.000 -2.082 2.096) 2.954 7.264 ( 0.000 -2.453 -0.354) 2.479 7.317 ( 0.000 5.958 0.384) 5.971 7.358 ( 0.000 6.495 -0.534) 6.517 7.450 ( 0.000 4.208 1.469) 4.457 7.537 ( 0.000 1.432 -0.130) 1.438 10.469 ( 0.000 -0.734 -0.896) 1.158 10.473 ( 0.000 -0.197 -2.293) 2.302 10.587 ( 0.000 -0.479 1.313) 1.397 10.604 ( 0.000 -0.525 -0.795) 0.953 10.702 ( 0.000 -1.739 -0.130) 1.743 10.714 ( 0.000 -1.280 0.071) 1.282 10.725 ( 0.000 -0.533 -0.017) 0.533 10.813 ( 0.000 0.497 -0.865) 0.998 10.901 ( 0.000 3.039 2.497) 3.933 10.924 ( 0.000 1.784 2.104) 2.759 11.029 ( 0.000 2.672 -0.813) 2.793 11.033 ( 0.000 5.180 -0.749) 5.234 15.811 ( 0.000 0.036 0.204) 0.207 15.824 ( 0.000 -0.607 -0.059) 0.610 15.829 ( 0.000 -0.151 0.087) 0.174 15.835 ( 0.000 -0.826 -0.050) 0.828 23.065 ( 0.000 -0.071 -0.480) 0.485 23.235 ( 0.000 -3.555 -3.137) 4.741 23.266 ( 0.000 -2.642 7.070) 7.547 23.495 ( 0.000 -1.691 -0.972) 1.951 23.578 ( 0.000 4.140 0.454) 4.165 23.600 ( 0.000 4.758 -0.471) 4.782 23.918 ( 0.000 2.498 0.647) 2.581 24.019 ( 0.000 0.176 -3.297) 3.302 24.192 ( 0.000 -3.407 5.426) 6.407 24.398 ( 0.000 -1.123 4.786) 4.916 24.493 ( 0.000 -7.677 -2.519) 8.079 24.876 ( 0.000 -2.056 -7.325) 7.608 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 0.968 13.896 5.585) 15.008 0.782 ( 6.515 11.867 3.903) 14.089 1.147 ( 0.154 3.369 -5.513) 6.463 1.216 ( 2.623 1.633 -5.958) 6.712 1.305 ( -2.219 -0.481 2.619) 3.466 1.385 ( 2.178 5.417 0.086) 5.839 1.420 ( -0.859 -0.898 -0.669) 1.411 1.432 ( 0.535 1.381 -0.923) 1.745 1.450 ( 6.613 6.162 5.076) 10.367 1.520 ( 1.009 1.188 1.395) 2.092 1.579 ( -0.882 -3.767 -1.411) 4.118 1.608 ( -0.438 4.376 2.134) 4.888 1.671 ( -1.963 -1.613 2.937) 3.884 1.703 ( 1.864 0.874 1.986) 2.861 1.770 ( -1.351 -1.167 -0.604) 1.885 1.806 ( 1.643 1.406 -0.619) 2.249 1.847 ( -0.261 0.155 0.043) 0.307 1.914 ( 1.015 0.512 -0.246) 1.163 1.991 ( 0.642 -1.601 -2.068) 2.693 2.045 ( 0.557 1.019 -0.160) 1.173 2.060 ( 1.019 3.015 -0.841) 3.292 2.227 ( 2.151 5.188 -4.317) 7.084 2.333 ( -2.675 5.047 1.681) 5.955 2.366 ( -1.414 1.209 -1.294) 2.266 2.406 ( 0.131 0.185 0.668) 0.706 2.434 ( 0.395 2.486 -2.552) 3.584 2.472 ( 0.976 2.549 1.162) 2.967 2.496 ( -1.487 0.798 1.273) 2.114 2.728 ( -0.766 1.972 -1.117) 2.392 2.800 ( 3.789 -1.484 1.589) 4.369 2.836 ( 1.311 4.319 -4.389) 6.296 2.932 ( -1.473 -1.131 -0.262) 1.876 3.013 ( -2.569 1.102 1.384) 3.119 3.048 ( -1.158 1.361 -2.139) 2.787 3.111 ( -0.026 0.674 2.097) 2.203 3.124 ( -0.940 -0.850 -0.661) 1.430 3.170 ( -0.179 -2.862 -0.169) 2.873 3.268 ( 0.774 -2.733 -1.645) 3.283 3.340 ( -0.439 -0.088 1.403) 1.473 3.370 ( -0.093 -0.729 1.213) 1.419 3.461 ( 1.486 6.893 -1.074) 7.133 3.490 ( 0.298 5.937 -2.495) 6.447 3.551 ( -0.415 2.946 1.309) 3.251 3.583 ( -0.233 3.880 -0.051) 3.888 3.679 ( 5.036 1.315 0.474) 5.226 3.881 ( 8.766 -5.633 -3.570) 11.015 4.076 ( -3.716 -8.130 12.948) 15.733 4.726 ( -1.525 -11.951 -6.142) 13.523 7.026 ( 1.711 -0.016 0.128) 1.716 7.092 ( 1.684 -1.449 -1.786) 2.850 7.194 ( 0.384 -2.465 2.707) 3.682 7.266 ( 0.123 -2.282 -0.261) 2.300 7.320 ( 0.366 5.903 0.564) 5.941 7.363 ( 0.431 6.405 -0.453) 6.436 7.456 ( 0.329 4.308 0.247) 4.328 7.522 ( -1.397 1.657 -0.104) 2.170 10.466 ( 0.072 -0.391 -0.931) 1.012 10.484 ( 0.630 -0.798 -1.578) 1.878 10.580 ( -0.701 -0.430 1.926) 2.094 10.611 ( 0.606 -0.823 -0.730) 1.256 10.678 ( -2.128 -1.518 -0.267) 2.628 10.701 ( -2.023 -0.383 -0.742) 2.188 10.715 ( -0.124 -1.316 0.814) 1.552 10.812 ( -0.415 -0.199 -0.830) 0.949 10.877 ( -2.509 2.412 1.601) 3.831 10.905 ( -0.617 2.031 1.580) 2.646 10.990 ( -2.858 3.785 -0.814) 4.812 11.012 ( -2.118 4.689 -0.735) 5.197 15.813 ( 0.229 0.078 0.157) 0.288 15.823 ( 0.024 -0.438 -0.048) 0.442 15.839 ( 0.771 -0.299 0.103) 0.833 15.845 ( 0.741 -0.853 -0.038) 1.131 23.078 ( 1.260 -0.134 0.046) 1.268 23.229 ( -1.068 -2.184 2.631) 3.582 23.282 ( 1.985 -3.417 0.481) 3.981 23.470 ( -2.187 -2.260 -0.867) 3.262 23.568 ( -0.878 4.032 0.232) 4.133 23.583 ( -0.293 4.259 -0.312) 4.280 23.846 ( -5.428 5.465 1.578) 7.863 24.049 ( 0.197 4.358 -5.813) 7.268 24.274 ( 6.395 -3.631 4.553) 8.649 24.389 ( 0.398 -2.694 7.908) 8.364 24.552 ( 5.810 -7.621 -3.292) 10.133 24.912 ( 2.433 -5.644 -6.864) 9.213 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 6.064 9.530 4.010) 11.986 0.951 ( 9.051 8.740 2.088) 12.755 1.118 ( -3.837 2.286 -1.536) 4.723 1.241 ( -0.515 0.283 -0.121) 0.600 1.289 ( -0.001 3.577 -3.372) 4.916 1.341 ( -3.290 1.657 -2.648) 4.537 1.387 ( -1.274 1.831 -3.548) 4.191 1.423 ( -1.614 0.462 -2.824) 3.285 1.537 ( 1.675 -1.971 0.511) 2.637 1.553 ( 0.002 -0.123 1.470) 1.475 1.569 ( 0.055 -3.118 0.776) 3.214 1.630 ( -1.965 0.338 2.847) 3.476 1.715 ( 4.268 1.410 1.446) 4.722 1.748 ( 0.803 -0.087 2.205) 2.348 1.761 ( 5.508 4.077 0.548) 6.874 1.853 ( 4.826 3.148 1.967) 6.089 1.876 ( 1.404 0.662 1.592) 2.223 1.932 ( 1.633 1.438 -2.384) 3.228 2.002 ( 0.759 0.180 -1.281) 1.500 2.028 ( -1.323 2.332 0.026) 2.681 2.080 ( -0.056 4.948 -0.755) 5.005 2.254 ( -2.156 3.495 1.382) 4.332 2.282 ( -1.271 5.397 -1.597) 5.770 2.331 ( -2.616 1.493 0.274) 3.024 2.387 ( 0.133 4.142 -1.695) 4.477 2.425 ( 0.191 -0.504 -0.925) 1.071 2.500 ( 0.634 3.272 -0.008) 3.333 2.510 ( 1.144 3.250 -0.827) 3.543 2.739 ( 2.119 2.930 0.378) 3.636 2.844 ( -0.792 4.457 -0.913) 4.618 2.889 ( 4.244 -0.538 0.696) 4.334 2.929 ( 1.361 -0.768 -0.174) 1.572 2.983 ( -0.546 0.874 -0.058) 1.032 3.019 ( -1.568 1.758 -1.856) 2.999 3.081 ( -1.724 0.004 -0.658) 1.845 3.113 ( -1.634 0.299 1.073) 1.978 3.165 ( 1.238 -3.092 0.235) 3.339 3.291 ( 0.486 -1.659 -0.276) 1.750 3.309 ( -2.060 -2.575 -1.037) 3.456 3.350 ( -1.495 -1.575 0.054) 2.173 3.491 ( 1.283 6.322 -1.048) 6.536 3.498 ( 0.716 4.696 -0.603) 4.788 3.538 ( -1.017 4.303 0.821) 4.497 3.560 ( -1.702 3.549 -0.426) 3.959 3.801 ( 6.143 -0.590 3.344) 7.019 3.979 ( -2.099 -5.404 11.250) 12.656 4.148 ( 12.451 -7.376 -3.475) 14.883 4.630 ( -7.867 -11.103 -6.158) 14.936 7.068 ( 2.185 -0.604 0.613) 2.348 7.124 ( 0.626 -1.511 -0.577) 1.734 7.208 ( 1.240 -3.156 1.895) 3.884 7.262 ( -0.650 -2.117 -0.119) 2.218 7.336 ( 1.367 5.782 0.703) 5.983 7.376 ( 0.728 6.086 -0.331) 6.138 7.453 ( -0.647 4.380 -0.706) 4.484 7.484 ( -2.127 2.783 -0.043) 3.503 10.471 ( 0.442 -0.420 -0.062) 0.613 10.495 ( 0.345 -0.876 -0.748) 1.202 10.555 ( -1.419 -1.336 1.967) 2.769 10.604 ( -2.318 -2.083 0.218) 3.124 10.647 ( 0.294 -0.337 -0.962) 1.061 10.662 ( -1.093 -0.449 -1.465) 1.882 10.706 ( -0.477 -0.914 1.204) 1.585 10.784 ( -2.379 -1.492 -0.016) 2.809 10.843 ( -0.246 2.580 0.947) 2.759 10.895 ( -0.282 2.613 -1.368) 2.964 10.943 ( -1.549 3.810 -0.079) 4.114 10.959 ( -2.475 4.284 -0.737) 5.002 15.820 ( 0.348 0.076 0.091) 0.368 15.825 ( 0.117 -0.216 -0.019) 0.246 15.855 ( 0.678 -0.496 0.088) 0.844 15.859 ( 0.510 -0.828 -0.009) 0.973 23.114 ( 2.045 -0.241 1.271) 2.420 23.198 ( -1.774 -1.092 3.874) 4.399 23.332 ( 2.279 -3.625 -1.992) 4.723 23.419 ( -2.489 -3.147 -0.896) 4.111 23.576 ( 1.716 4.297 0.115) 4.628 23.612 ( 3.712 4.943 -1.246) 6.306 23.733 ( -4.980 7.325 1.726) 9.025 23.956 ( -8.386 6.654 -5.573) 12.069 24.406 ( 5.548 -3.881 4.034) 7.882 24.442 ( 3.404 -3.593 7.575) 9.049 24.709 ( 8.431 -7.049 -3.154) 11.433 24.933 ( -0.983 -7.985 -5.364) 9.670 ======================= Grid point 80 (32/60) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -7.297 4.432 1.749) 8.715 0.985 ( 7.297 4.432 1.749) 8.715 1.142 ( -7.950 5.830 0.980) 9.907 1.142 ( 7.950 5.830 0.980) 9.907 1.301 ( -1.365 1.505 -3.207) 3.797 1.301 ( 1.365 1.505 -3.207) 3.797 1.389 ( -1.327 2.158 -4.570) 5.226 1.389 ( 1.327 2.158 -4.570) 5.226 1.559 ( -0.528 -3.950 0.103) 3.987 1.559 ( 0.528 -3.950 0.103) 3.987 1.586 ( -2.095 1.278 3.100) 3.953 1.586 ( 2.095 1.278 3.100) 3.953 1.740 ( -0.968 -1.572 0.444) 1.899 1.740 ( 0.968 -1.572 0.444) 1.899 1.847 ( -2.492 -2.269 -1.259) 3.598 1.847 ( 2.492 -2.269 -1.259) 3.598 1.983 ( -2.268 2.500 -0.483) 3.410 1.983 ( 2.268 2.500 -0.483) 3.410 2.031 ( -1.749 3.569 1.527) 4.258 2.031 ( 1.749 3.569 1.527) 4.258 2.100 ( -8.471 8.614 2.110) 12.264 2.100 ( 8.471 8.614 2.110) 12.264 2.294 ( -1.072 4.183 0.544) 4.353 2.294 ( 1.072 4.183 0.544) 4.353 2.415 ( -1.329 1.021 -2.418) 2.942 2.415 ( 1.329 1.021 -2.418) 2.942 2.512 ( -0.559 3.221 -1.406) 3.559 2.512 ( 0.559 3.221 -1.406) 3.559 2.800 ( -3.096 3.616 0.866) 4.839 2.800 ( 3.096 3.616 0.866) 4.839 2.960 ( -0.826 -0.271 0.884) 1.239 2.960 ( 0.826 -0.271 0.884) 1.239 2.977 ( -1.573 1.287 -1.403) 2.470 2.977 ( 1.573 1.287 -1.403) 2.470 3.074 ( -1.220 0.634 -0.683) 1.535 3.074 ( 1.220 0.634 -0.683) 1.535 3.223 ( -4.011 -2.584 -0.005) 4.772 3.223 ( 4.011 -2.584 -0.005) 4.772 3.323 ( -1.160 -2.704 -0.685) 3.021 3.323 ( 1.160 -2.704 -0.685) 3.021 3.511 ( -0.977 4.088 0.072) 4.204 3.511 ( 0.977 4.088 0.072) 4.204 3.527 ( -1.400 5.032 0.048) 5.223 3.527 ( 1.400 5.032 0.048) 5.223 3.912 ( -4.346 -2.789 7.600) 9.189 3.912 ( 4.346 -2.789 7.600) 9.189 4.416 ( -12.363 -9.092 -5.304) 16.237 4.416 ( 12.363 -9.092 -5.304) 16.237 7.110 ( -1.662 -1.120 0.934) 2.211 7.110 ( 1.662 -1.120 0.934) 2.211 7.240 ( -1.455 -2.685 -0.023) 3.054 7.240 ( 1.455 -2.685 -0.023) 3.054 7.372 ( -1.521 5.257 0.277) 5.479 7.372 ( 1.521 5.257 0.277) 5.479 7.449 ( -0.867 4.351 -0.380) 4.453 7.449 ( 0.867 4.351 -0.380) 4.453 10.486 ( -0.983 -0.469 0.559) 1.224 10.486 ( 0.983 -0.469 0.559) 1.224 10.555 ( -1.645 -2.209 0.207) 2.762 10.555 ( 1.645 -2.209 0.207) 2.762 10.654 ( -0.238 -0.265 -0.744) 0.825 10.654 ( 0.238 -0.265 -0.744) 0.825 10.725 ( -2.515 -1.355 0.351) 2.879 10.725 ( 2.515 -1.355 0.351) 2.879 10.870 ( -2.111 3.328 -0.213) 3.947 10.870 ( 2.111 3.328 -0.213) 3.947 10.930 ( -0.552 3.218 -0.802) 3.362 10.930 ( 0.552 3.218 -0.802) 3.362 15.825 ( -0.121 -0.033 0.029) 0.128 15.825 ( 0.121 -0.033 0.029) 0.128 15.864 ( -0.114 -0.694 0.039) 0.705 15.864 ( 0.114 -0.694 0.039) 0.705 23.158 ( -2.103 -0.477 2.719) 3.470 23.158 ( 2.103 -0.477 2.719) 3.470 23.373 ( -1.965 -3.550 -1.426) 4.301 23.373 ( 1.965 -3.550 -1.426) 4.301 23.629 ( -3.293 5.965 0.179) 6.816 23.629 ( 3.293 5.965 0.179) 6.816 23.765 ( -8.751 5.807 -2.643) 10.830 23.765 ( 8.751 5.807 -2.643) 10.830 24.475 ( -0.787 -3.496 5.142) 6.267 24.475 ( 0.787 -3.496 5.142) 6.267 24.863 ( -5.819 -7.476 -3.782) 10.201 24.863 ( 5.819 -7.476 -3.782) 10.201 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.000 11.444 2.509) 11.716 1.047 ( 0.000 12.035 2.861) 12.371 1.199 ( 0.000 2.913 -2.991) 4.175 1.254 ( 0.000 2.410 -2.771) 3.672 1.284 ( 0.000 -3.469 1.981) 3.995 1.401 ( 0.000 0.607 -0.607) 0.858 1.411 ( 0.000 -3.024 0.746) 3.114 1.431 ( 0.000 1.112 -0.086) 1.115 1.488 ( 0.000 2.247 -2.757) 3.557 1.538 ( 0.000 -0.629 0.941) 1.132 1.587 ( 0.000 -1.850 -2.316) 2.964 1.622 ( 0.000 0.608 3.483) 3.536 1.652 ( 0.000 3.559 4.079) 5.413 1.674 ( 0.000 -3.335 1.993) 3.885 1.723 ( 0.000 -2.566 -3.565) 4.392 1.798 ( 0.000 -3.659 -0.216) 3.665 1.918 ( 0.000 6.658 -2.266) 7.033 1.968 ( 0.000 1.216 -2.525) 2.802 1.984 ( 0.000 6.812 -0.079) 6.813 2.067 ( 0.000 3.315 2.110) 3.929 2.073 ( 0.000 1.685 1.982) 2.601 2.244 ( 0.000 -1.593 -3.813) 4.132 2.293 ( 0.000 -4.820 -2.221) 5.307 2.373 ( 0.000 -8.326 0.588) 8.346 2.464 ( 0.000 3.373 2.485) 4.190 2.501 ( 0.000 3.069 0.569) 3.121 2.520 ( 0.000 4.321 1.493) 4.571 2.547 ( 0.000 3.415 0.095) 3.416 2.697 ( 0.000 -0.349 0.497) 0.607 2.805 ( 0.000 0.469 -2.175) 2.225 2.861 ( 0.000 1.244 -5.203) 5.350 2.952 ( 0.000 0.304 -1.188) 1.227 2.961 ( 0.000 -6.033 -5.617) 8.243 3.033 ( 0.000 -3.423 -2.694) 4.356 3.143 ( 0.000 1.917 2.117) 2.856 3.166 ( 0.000 2.206 1.429) 2.628 3.172 ( 0.000 2.056 2.005) 2.872 3.206 ( 0.000 -1.871 0.578) 1.958 3.355 ( 0.000 0.551 2.473) 2.533 3.361 ( 0.000 0.133 2.141) 2.145 3.521 ( 0.000 2.205 -2.255) 3.154 3.594 ( 0.000 1.485 -5.908) 6.092 3.606 ( 0.000 2.001 1.265) 2.367 3.681 ( 0.000 5.492 1.857) 5.798 3.696 ( 0.000 -2.577 -1.694) 3.084 3.744 ( 0.000 7.573 0.762) 7.611 3.993 ( 0.000 -1.746 10.860) 10.999 4.466 ( 0.000 -14.343 -3.253) 14.707 7.019 ( 0.000 0.871 -0.266) 0.910 7.055 ( 0.000 -0.725 -1.231) 1.428 7.152 ( 0.000 -1.107 1.128) 1.580 7.203 ( 0.000 -3.058 -0.407) 3.085 7.432 ( 0.000 4.865 0.512) 4.892 7.483 ( 0.000 5.047 -0.624) 5.085 7.511 ( 0.000 1.543 1.087) 1.888 7.565 ( 0.000 0.855 0.027) 0.855 10.462 ( 0.000 0.077 -0.855) 0.858 10.471 ( 0.000 -0.075 -1.884) 1.886 10.579 ( 0.000 -0.236 0.943) 0.972 10.590 ( 0.000 -0.715 -0.620) 0.947 10.677 ( 0.000 -0.644 0.341) 0.729 10.688 ( 0.000 -1.057 0.585) 1.208 10.733 ( 0.000 1.146 -0.949) 1.488 10.801 ( 0.000 -1.418 -1.450) 2.028 10.941 ( 0.000 1.197 2.617) 2.878 10.950 ( 0.000 0.780 2.132) 2.271 11.104 ( 0.000 3.599 -0.527) 3.637 11.121 ( 0.000 3.064 -0.556) 3.114 15.811 ( 0.000 -0.156 -0.102) 0.186 15.812 ( 0.000 -0.458 -0.076) 0.464 15.822 ( 0.000 -0.290 0.275) 0.399 15.826 ( 0.000 -0.170 0.142) 0.221 23.084 ( 0.000 1.778 -1.969) 2.653 23.170 ( 0.000 -2.686 -2.649) 3.773 23.232 ( 0.000 -0.263 4.628) 4.636 23.404 ( 0.000 -6.449 -1.200) 6.560 23.658 ( 0.000 3.323 0.887) 3.440 23.680 ( 0.000 2.675 0.215) 2.684 23.946 ( 0.000 0.948 1.037) 1.405 24.017 ( 0.000 -0.933 -1.463) 1.735 24.142 ( 0.000 -0.492 2.808) 2.850 24.322 ( 0.000 -7.534 -2.117) 7.826 24.483 ( 0.000 7.362 3.779) 8.275 24.797 ( 0.000 -5.538 -4.013) 6.839 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.17 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 3.814 10.110 2.163) 11.019 1.038 ( -0.128 12.365 3.234) 12.781 1.211 ( 0.297 2.417 -1.786) 3.020 1.234 ( -1.340 0.216 -0.950) 1.657 1.305 ( 2.257 -0.366 -0.706) 2.393 1.392 ( -0.102 -0.652 -0.776) 1.019 1.411 ( -0.284 -1.045 -0.521) 1.202 1.425 ( -1.432 -1.317 0.411) 1.989 1.491 ( 0.271 0.349 -3.674) 3.701 1.511 ( -1.114 -1.318 -0.821) 1.911 1.589 ( 0.214 -0.716 0.173) 0.766 1.634 ( 0.566 1.367 2.558) 2.955 1.665 ( -0.235 -3.859 0.926) 3.976 1.701 ( 1.945 -0.564 -0.734) 2.153 1.771 ( 2.742 0.858 0.744) 2.967 1.824 ( 2.944 -1.935 1.098) 3.690 1.903 ( 0.060 4.875 -0.029) 4.876 1.963 ( -0.062 7.643 1.081) 7.719 2.009 ( 2.479 2.611 -2.811) 4.568 2.056 ( -1.157 0.300 0.942) 1.522 2.117 ( 2.956 3.039 -0.175) 4.243 2.259 ( 1.330 -1.823 -3.339) 4.031 2.327 ( 1.203 -1.589 -1.121) 2.287 2.343 ( 0.350 -4.981 -0.433) 5.012 2.472 ( 0.223 2.883 1.011) 3.063 2.490 ( -1.424 4.578 1.016) 4.901 2.535 ( 1.468 2.929 1.030) 3.435 2.551 ( 0.423 2.465 0.338) 2.524 2.727 ( 2.460 -0.116 0.540) 2.521 2.809 ( 1.637 0.203 -1.775) 2.424 2.893 ( 2.286 0.961 -2.806) 3.744 2.910 ( -1.300 -0.697 -3.204) 3.527 2.994 ( 0.660 -2.398 -1.721) 3.024 3.029 ( -0.319 -2.672 -2.576) 3.725 3.126 ( -1.800 1.659 1.583) 2.915 3.143 ( -1.531 1.599 1.333) 2.584 3.150 ( -1.509 0.570 1.026) 1.912 3.212 ( 0.499 -2.380 0.327) 2.454 3.349 ( -1.377 0.762 1.425) 2.123 3.364 ( -0.672 -0.041 1.192) 1.369 3.537 ( 1.451 1.510 -0.957) 2.302 3.589 ( -0.412 2.188 -4.317) 4.857 3.602 ( -0.278 2.041 0.471) 2.113 3.649 ( -1.691 1.581 -0.188) 2.323 3.784 ( 3.481 6.705 0.914) 7.610 3.798 ( 7.990 -1.064 -0.901) 8.111 3.970 ( -1.307 0.109 11.343) 11.419 4.457 ( -1.347 -14.171 -3.390) 14.633 7.033 ( 1.251 0.701 -0.219) 1.450 7.069 ( 1.315 -0.880 -1.279) 2.034 7.152 ( -0.058 -1.279 1.542) 2.004 7.203 ( -0.043 -3.218 -0.249) 3.228 7.436 ( 0.431 4.966 0.552) 5.015 7.485 ( 0.178 4.943 -0.608) 4.983 7.518 ( 0.515 1.478 0.280) 1.590 7.557 ( -0.757 1.139 0.044) 1.368 10.464 ( 0.136 0.118 -0.776) 0.797 10.474 ( 0.201 -0.286 -1.403) 1.445 10.574 ( -0.714 -0.144 1.578) 1.738 10.591 ( -0.104 -0.988 -0.217) 1.017 10.661 ( -1.363 -0.173 0.137) 1.381 10.685 ( -0.785 -1.112 0.646) 1.506 10.714 ( -1.295 1.139 -1.086) 2.038 10.787 ( -1.268 -1.821 -1.190) 2.518 10.918 ( -1.983 1.531 1.759) 3.061 10.933 ( -0.860 0.809 1.556) 1.953 11.074 ( -2.506 3.591 -0.453) 4.403 11.093 ( -2.539 2.838 -0.625) 3.859 15.814 ( 0.322 -0.183 -0.024) 0.371 15.816 ( 0.348 0.003 -0.037) 0.350 15.829 ( 0.608 -0.546 0.191) 0.839 15.833 ( 0.549 -0.316 0.103) 0.642 23.095 ( 1.090 1.747 -1.457) 2.522 23.189 ( 1.267 -2.109 -1.775) 3.034 23.227 ( 0.017 -1.026 3.108) 3.273 23.377 ( -2.251 -6.034 -0.882) 6.500 23.640 ( -1.046 2.796 0.159) 2.990 23.655 ( -0.715 2.360 -0.400) 2.498 23.933 ( -1.480 3.830 2.301) 4.707 24.146 ( 0.498 -5.710 2.157) 6.124 24.150 ( 8.022 3.674 -3.082) 9.346 24.392 ( 6.524 -7.505 -2.781) 10.325 24.459 ( -1.097 7.471 5.964) 9.622 24.790 ( -0.558 -6.651 -3.376) 7.480 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 1.646 10.219 2.951) 10.763 1.121 ( 4.934 6.734 1.361) 8.458 1.168 ( -2.070 2.532 1.116) 3.456 1.256 ( 1.444 1.043 -0.560) 1.867 1.351 ( 1.298 1.058 -1.244) 2.086 1.363 ( -2.000 0.458 -0.609) 2.140 1.411 ( 0.248 -1.036 -1.967) 2.237 1.413 ( -0.003 0.194 -2.910) 2.917 1.486 ( -0.356 -1.322 -2.443) 2.800 1.503 ( -0.366 -0.898 -2.126) 2.337 1.588 ( 0.371 0.699 1.804) 1.970 1.630 ( -0.668 -0.325 2.072) 2.201 1.667 ( 0.477 -3.461 -1.758) 3.911 1.730 ( 1.281 -2.241 -1.343) 2.909 1.772 ( -2.037 -0.120 -0.500) 2.101 1.832 ( -2.662 -2.579 0.558) 3.748 1.974 ( 3.342 2.060 0.157) 3.929 1.999 ( 4.795 4.619 4.256) 7.902 2.035 ( -0.047 0.871 0.371) 0.948 2.065 ( 1.745 2.196 0.374) 2.830 2.180 ( 3.710 5.665 -1.963) 7.050 2.304 ( 2.014 0.429 -1.248) 2.408 2.320 ( 0.628 2.133 -1.360) 2.607 2.395 ( 1.259 0.090 -1.453) 1.925 2.457 ( -0.840 4.240 0.814) 4.399 2.474 ( -0.252 4.265 0.420) 4.293 2.555 ( 0.112 1.115 -0.378) 1.182 2.561 ( 0.200 1.672 -0.335) 1.717 2.788 ( 3.632 2.020 0.346) 4.171 2.874 ( 2.894 -0.330 -0.585) 2.971 2.913 ( 2.027 0.859 -0.388) 2.235 2.935 ( 1.473 0.901 -0.432) 1.780 2.991 ( -0.617 -0.218 -0.351) 0.743 3.028 ( 0.433 -1.507 -2.817) 3.224 3.073 ( -2.482 0.563 -0.606) 2.616 3.117 ( -1.568 -0.888 -0.344) 1.834 3.136 ( 0.495 1.039 1.806) 2.141 3.224 ( 0.698 -3.448 -0.289) 3.530 3.287 ( -4.347 -0.238 0.482) 4.380 3.316 ( -3.500 -1.427 0.317) 3.793 3.562 ( 0.508 1.413 -0.345) 1.540 3.585 ( 0.163 1.985 -2.029) 2.843 3.592 ( -0.689 1.690 0.664) 1.942 3.615 ( -1.184 1.706 0.333) 2.103 3.867 ( 3.961 5.354 2.248) 7.029 3.939 ( 0.976 3.041 7.679) 8.316 4.019 ( 9.756 -4.690 -0.441) 10.833 4.389 ( -5.539 -12.273 -3.190) 13.838 7.064 ( 1.642 0.316 0.065) 1.673 7.100 ( 1.188 -0.823 -0.923) 1.715 7.150 ( 0.051 -2.112 1.480) 2.579 7.195 ( -0.842 -3.480 -0.123) 3.583 7.451 ( 1.072 4.969 0.442) 5.102 7.489 ( 0.027 4.398 -0.502) 4.427 7.524 ( -0.049 2.262 -0.523) 2.322 7.540 ( -0.705 1.708 -0.102) 1.850 10.468 ( 0.338 0.091 -0.177) 0.392 10.482 ( 0.678 -0.471 -0.498) 0.964 10.539 ( -2.453 -0.223 2.040) 3.198 10.568 ( -2.344 -1.450 0.943) 2.913 10.646 ( 0.223 0.154 -0.629) 0.685 10.661 ( -0.488 -0.049 -1.109) 1.213 10.694 ( -0.972 0.066 0.555) 1.122 10.748 ( -2.490 -1.851 -0.098) 3.104 10.896 ( 0.501 2.315 0.697) 2.469 10.932 ( 0.954 0.918 -0.680) 1.489 11.014 ( -3.259 2.855 -0.124) 4.335 11.030 ( -3.128 2.369 -0.794) 4.003 15.822 ( 0.373 0.059 0.040) 0.379 15.824 ( 0.331 0.251 0.025) 0.417 15.842 ( 0.543 -0.745 0.098) 0.927 15.844 ( 0.448 -0.550 0.059) 0.712 23.126 ( 1.786 1.551 -0.218) 2.376 23.190 ( -0.879 0.505 1.968) 2.214 23.253 ( 1.882 -3.753 -1.624) 4.501 23.329 ( -2.167 -5.045 -0.728) 5.538 23.653 ( 2.556 3.019 -0.159) 3.959 23.686 ( 4.262 2.007 -1.267) 4.879 23.861 ( -5.216 5.414 1.750) 7.719 24.036 ( -8.784 -0.555 -3.467) 9.460 24.348 ( 8.279 0.991 1.864) 8.544 24.466 ( 1.405 4.525 5.920) 7.582 24.563 ( 8.446 -6.707 -1.796) 10.934 24.773 ( -1.491 -7.790 -2.323) 8.264 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -2.871 6.092 2.146) 7.069 1.098 ( 2.871 6.092 2.146) 7.069 1.239 ( -3.868 2.171 0.884) 4.523 1.239 ( 3.868 2.171 0.884) 4.523 1.345 ( -1.019 2.881 -1.131) 3.258 1.345 ( 1.019 2.881 -1.131) 3.258 1.416 ( -0.151 0.034 -3.694) 3.698 1.416 ( 0.151 0.034 -3.694) 3.698 1.489 ( -0.714 -1.003 -2.014) 2.361 1.489 ( 0.714 -1.003 -2.014) 2.361 1.609 ( -1.250 -0.062 2.231) 2.558 1.609 ( 1.250 -0.062 2.231) 2.558 1.707 ( -3.199 -1.517 -1.106) 3.710 1.707 ( 3.199 -1.517 -1.106) 3.710 1.771 ( -2.534 -3.858 -1.617) 4.891 1.771 ( 2.534 -3.858 -1.617) 4.891 2.018 ( -1.661 1.550 1.202) 2.570 2.018 ( 1.661 1.550 1.202) 2.570 2.076 ( -1.298 0.115 1.926) 2.325 2.076 ( 1.298 0.115 1.926) 2.325 2.270 ( -4.056 6.983 -0.359) 8.084 2.270 ( 4.056 6.983 -0.359) 8.084 2.374 ( -2.549 3.011 -1.145) 4.108 2.374 ( 2.549 3.011 -1.145) 4.108 2.463 ( -0.753 3.385 -0.033) 3.468 2.463 ( 0.753 3.385 -0.033) 3.468 2.556 ( -0.259 0.727 -1.378) 1.579 2.556 ( 0.259 0.727 -1.378) 1.579 2.862 ( -2.936 2.502 0.573) 3.900 2.862 ( 2.936 2.502 0.573) 3.900 2.967 ( -1.374 -0.856 -0.175) 1.628 2.967 ( 1.374 -0.856 -0.175) 1.628 2.993 ( -3.725 1.590 -0.679) 4.107 2.993 ( 3.725 1.590 -0.679) 4.107 3.078 ( -2.079 -0.791 -1.363) 2.608 3.078 ( 2.079 -0.791 -1.363) 2.608 3.180 ( -4.095 -0.676 0.869) 4.240 3.180 ( 4.095 -0.676 0.869) 4.240 3.257 ( -1.923 -3.328 0.061) 3.844 3.257 ( 1.923 -3.328 0.061) 3.844 3.571 ( -0.725 1.931 0.109) 2.066 3.571 ( 0.725 1.931 0.109) 2.066 3.599 ( -0.639 1.555 -0.044) 1.682 3.599 ( 0.639 1.555 -0.044) 1.682 3.928 ( -1.763 4.388 5.027) 6.901 3.928 ( 1.763 4.388 5.027) 6.901 4.231 ( -9.490 -8.726 -2.484) 13.129 4.231 ( 9.490 -8.726 -2.484) 13.129 7.096 ( -1.266 -0.006 0.410) 1.331 7.096 ( 1.266 -0.006 0.410) 1.331 7.169 ( -1.517 -3.418 -0.096) 3.741 7.169 ( 1.517 -3.418 -0.096) 3.741 7.476 ( -1.159 4.442 0.082) 4.591 7.476 ( 1.159 4.442 0.082) 4.591 7.527 ( -0.525 2.501 -0.536) 2.611 7.527 ( 0.525 2.501 -0.536) 2.611 10.484 ( -1.177 0.254 0.772) 1.431 10.484 ( 1.177 0.254 0.772) 1.431 10.519 ( -1.649 -1.373 0.579) 2.222 10.519 ( 1.649 -1.373 0.579) 2.222 10.657 ( -0.684 0.487 -0.421) 0.939 10.657 ( 0.684 0.487 -0.421) 0.939 10.697 ( -1.915 -1.308 0.173) 2.326 10.697 ( 1.915 -1.308 0.173) 2.326 10.935 ( -2.556 2.829 -0.352) 3.829 10.935 ( 2.556 2.829 -0.352) 3.829 10.977 ( -1.736 1.216 -0.657) 2.219 10.977 ( 1.736 1.216 -0.657) 2.219 15.827 ( -0.037 0.243 0.055) 0.252 15.827 ( 0.037 0.243 0.055) 0.252 15.849 ( -0.055 -0.724 0.052) 0.727 15.849 ( 0.055 -0.724 0.052) 0.727 23.163 ( -1.660 1.183 1.193) 2.361 23.163 ( 1.660 1.183 1.193) 2.361 23.290 ( -1.725 -4.303 -1.324) 4.821 23.290 ( 1.725 -4.303 -1.324) 4.821 23.737 ( -5.065 4.497 0.076) 6.774 23.737 ( 5.065 4.497 0.076) 6.774 23.839 ( -8.943 0.862 -2.188) 9.247 23.839 ( 8.943 0.862 -2.188) 9.247 24.462 ( -2.590 2.588 4.012) 5.432 24.462 ( 2.590 2.588 4.012) 5.432 24.708 ( -5.144 -7.417 -1.815) 9.207 24.708 ( 5.144 -7.417 -1.815) 9.207 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.000 -5.634 0.933) 5.710 1.156 ( 0.000 5.634 0.933) 5.710 1.245 ( 0.000 -2.974 -0.678) 3.050 1.245 ( 0.000 2.974 -0.678) 3.050 1.299 ( 0.000 -6.525 2.085) 6.850 1.299 ( 0.000 6.525 2.085) 6.850 1.432 ( 0.000 -1.703 -0.325) 1.734 1.432 ( 0.000 1.703 -0.325) 1.734 1.526 ( 0.000 -2.155 -1.387) 2.563 1.526 ( 0.000 2.155 -1.387) 2.563 1.573 ( 0.000 -5.567 -1.569) 5.784 1.573 ( 0.000 5.567 -1.569) 5.784 1.673 ( 0.000 -2.856 0.955) 3.011 1.673 ( 0.000 2.856 0.955) 3.011 1.721 ( 0.000 -3.398 1.024) 3.549 1.721 ( 0.000 3.398 1.024) 3.549 1.986 ( 0.000 -0.734 -4.984) 5.037 1.986 ( 0.000 0.734 -4.984) 5.037 2.129 ( 0.000 -1.201 1.080) 1.615 2.129 ( 0.000 1.201 1.080) 1.615 2.161 ( 0.000 -6.834 -1.051) 6.915 2.161 ( 0.000 6.834 -1.051) 6.915 2.219 ( 0.000 -2.843 1.465) 3.198 2.219 ( 0.000 2.843 1.465) 3.198 2.517 ( 0.000 -1.441 1.995) 2.460 2.517 ( 0.000 1.441 1.995) 2.460 2.575 ( 0.000 -0.678 1.495) 1.642 2.575 ( 0.000 0.678 1.495) 1.642 2.749 ( 0.000 -4.677 -1.830) 5.022 2.749 ( 0.000 4.677 -1.830) 5.022 2.884 ( 0.000 -1.590 -5.043) 5.287 2.884 ( 0.000 1.590 -5.043) 5.287 2.974 ( 0.000 -1.951 -2.772) 3.389 2.974 ( 0.000 1.951 -2.772) 3.389 3.173 ( 0.000 -1.289 1.689) 2.125 3.173 ( 0.000 1.289 1.689) 2.125 3.196 ( 0.000 -0.106 2.079) 2.082 3.196 ( 0.000 0.106 2.079) 2.082 3.362 ( 0.000 -0.143 2.230) 2.235 3.362 ( 0.000 0.143 2.230) 2.235 3.570 ( 0.000 -2.467 -3.994) 4.694 3.570 ( 0.000 2.467 -3.994) 4.694 3.647 ( 0.000 -2.225 -0.573) 2.297 3.647 ( 0.000 2.225 -0.573) 2.297 3.778 ( 0.000 -3.155 4.199) 5.252 3.778 ( 0.000 3.155 4.199) 5.252 4.159 ( 0.000 -14.508 0.967) 14.540 4.159 ( 0.000 14.508 0.967) 14.540 7.039 ( 0.000 -0.922 -0.467) 1.034 7.039 ( 0.000 0.922 -0.467) 1.034 7.154 ( 0.000 -1.385 0.056) 1.386 7.154 ( 0.000 1.385 0.056) 1.386 7.504 ( 0.000 -1.993 0.692) 2.109 7.504 ( 0.000 1.993 0.692) 2.109 7.557 ( 0.000 -1.884 -0.305) 1.909 7.557 ( 0.000 1.884 -0.305) 1.909 10.467 ( 0.000 -0.289 -1.181) 1.216 10.467 ( 0.000 0.289 -1.181) 1.216 10.579 ( 0.000 -0.286 0.170) 0.333 10.579 ( 0.000 0.286 0.170) 0.333 10.674 ( 0.000 -0.300 0.517) 0.598 10.674 ( 0.000 0.300 0.517) 0.598 10.766 ( 0.000 -1.821 -1.379) 2.284 10.766 ( 0.000 1.821 -1.379) 2.284 10.955 ( 0.000 -0.229 2.246) 2.258 10.955 ( 0.000 0.229 2.246) 2.258 11.149 ( 0.000 -0.491 -0.397) 0.631 11.149 ( 0.000 0.491 -0.397) 0.631 15.807 ( 0.000 -0.037 -0.153) 0.157 15.807 ( 0.000 0.037 -0.153) 0.157 15.822 ( 0.000 -0.182 0.282) 0.335 15.822 ( 0.000 0.182 0.282) 0.335 23.124 ( 0.000 -1.940 -2.349) 3.047 23.124 ( 0.000 1.940 -2.349) 3.047 23.277 ( 0.000 -4.829 1.251) 4.988 23.277 ( 0.000 4.829 1.251) 4.988 23.701 ( 0.000 -0.627 0.877) 1.078 23.701 ( 0.000 0.627 0.877) 1.078 23.978 ( 0.000 -2.162 0.967) 2.369 23.978 ( 0.000 2.162 0.967) 2.369 24.191 ( 0.000 -4.839 -0.581) 4.874 24.191 ( 0.000 4.839 -0.581) 4.874 24.654 ( 0.000 -8.224 -0.246) 8.228 24.654 ( 0.000 8.224 -0.246) 8.228 ======================= Grid point 93 (38/60) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 0.976 -4.026 1.058) 4.276 1.168 ( 0.976 4.026 1.058) 4.276 1.257 ( -0.125 -3.085 1.544) 3.452 1.257 ( -0.125 3.085 1.544) 3.452 1.293 ( 0.957 -4.600 -0.660) 4.744 1.293 ( 0.957 4.600 -0.660) 4.744 1.411 ( -1.214 -1.774 -0.130) 2.153 1.411 ( -1.214 1.774 -0.130) 2.153 1.524 ( 0.091 -3.626 -1.763) 4.033 1.524 ( 0.091 3.626 -1.763) 4.033 1.563 ( -0.656 -4.960 -1.511) 5.227 1.563 ( -0.656 4.960 -1.511) 5.227 1.679 ( 0.469 -1.551 -1.259) 2.052 1.679 ( 0.469 1.551 -1.259) 2.052 1.784 ( 3.434 -1.484 2.846) 4.700 1.784 ( 3.434 1.484 2.846) 4.700 1.984 ( 0.331 -3.195 -2.878) 4.313 1.984 ( 0.331 3.195 -2.878) 4.313 2.096 ( -2.410 -1.766 1.643) 3.410 2.096 ( -2.410 1.766 1.643) 3.410 2.190 ( 3.485 -7.099 -2.260) 8.225 2.190 ( 3.485 7.099 -2.260) 8.225 2.281 ( 4.369 -2.920 -0.195) 5.258 2.281 ( 4.369 2.920 -0.195) 5.258 2.523 ( 0.216 -1.404 1.060) 1.773 2.523 ( 0.216 1.404 1.060) 1.773 2.572 ( -0.193 -0.703 1.806) 1.948 2.572 ( -0.193 0.703 1.806) 1.948 2.764 ( 2.066 -3.435 -1.613) 4.321 2.764 ( 2.066 3.435 -1.613) 4.321 2.901 ( 1.351 -0.624 -2.720) 3.100 2.901 ( 1.351 0.624 -2.720) 3.100 2.982 ( 0.584 -1.240 -2.564) 2.908 2.982 ( 0.584 1.240 -2.564) 2.908 3.155 ( -2.829 -0.587 0.967) 3.047 3.155 ( -2.829 0.587 0.967) 3.047 3.172 ( -0.412 -1.419 1.808) 2.335 3.172 ( -0.412 1.419 1.808) 2.335 3.361 ( -1.188 -0.357 1.254) 1.764 3.361 ( -1.188 0.357 1.254) 1.764 3.576 ( 0.355 -2.131 -2.606) 3.385 3.576 ( 0.355 2.131 -2.606) 3.385 3.639 ( -0.632 -1.656 -0.296) 1.797 3.639 ( -0.632 1.656 -0.296) 1.797 3.819 ( 4.133 -1.754 3.380) 5.620 3.819 ( 4.133 1.755 3.380) 5.620 4.157 ( -0.345 -14.319 0.921) 14.353 4.157 ( -0.345 14.319 0.921) 14.353 7.051 ( 1.125 -0.926 -0.537) 1.553 7.051 ( 1.125 0.926 -0.537) 1.553 7.153 ( -0.215 -1.399 0.299) 1.447 7.153 ( -0.215 1.399 0.299) 1.447 7.511 ( 0.594 -2.131 0.446) 2.257 7.511 ( 0.594 2.131 0.446) 2.257 7.554 ( -0.279 -1.660 -0.364) 1.722 7.554 ( -0.279 1.660 -0.364) 1.722 10.468 ( 0.094 -0.275 -0.946) 0.990 10.468 ( 0.094 0.275 -0.946) 0.990 10.576 ( -0.510 -0.411 0.757) 1.001 10.576 ( -0.510 0.411 0.757) 1.001 10.666 ( -0.825 -0.636 0.380) 1.109 10.666 ( -0.825 0.636 0.380) 1.109 10.747 ( -1.469 -1.934 -1.285) 2.747 10.747 ( -1.469 1.934 -1.285) 2.747 10.937 ( -1.243 -0.370 1.635) 2.087 10.937 ( -1.243 0.370 1.635) 2.087 11.119 ( -2.708 -0.499 -0.463) 2.792 11.119 ( -2.708 0.499 -0.463) 2.792 15.814 ( 0.551 -0.148 -0.125) 0.584 15.814 ( 0.551 0.148 -0.125) 0.584 15.827 ( 0.378 -0.224 0.251) 0.506 15.827 ( 0.378 0.224 0.251) 0.506 23.140 ( 1.413 -2.367 -2.283) 3.579 23.140 ( 1.413 2.367 -2.283) 3.579 23.262 ( -1.193 -4.247 1.288) 4.596 23.262 ( -1.193 4.247 1.288) 4.596 23.675 ( -1.119 -0.421 -0.154) 1.205 23.675 ( -1.119 0.421 -0.154) 1.205 24.023 ( 1.214 -5.122 3.115) 6.116 24.023 ( 1.214 5.122 3.115) 6.116 24.255 ( 6.569 -5.792 -2.808) 9.197 24.255 ( 6.569 5.792 -2.808) 9.197 24.633 ( -1.445 -8.534 0.748) 8.688 24.633 ( -1.445 8.534 0.748) 8.688 ======================= Grid point 95 (39/60) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 1.071 -1.629 1.273) 2.329 1.190 ( 1.071 1.629 1.273) 2.329 1.234 ( -1.288 -5.176 2.204) 5.771 1.234 ( -1.288 5.176 2.204) 5.771 1.345 ( 2.961 -1.265 -2.166) 3.881 1.345 ( 2.961 1.265 -2.166) 3.881 1.402 ( 0.115 -2.108 -0.282) 2.130 1.402 ( 0.115 2.108 -0.282) 2.130 1.532 ( 0.595 -4.830 -2.281) 5.375 1.532 ( 0.595 4.830 -2.281) 5.375 1.554 ( -0.152 -3.289 -1.710) 3.710 1.554 ( -0.152 3.289 -1.710) 3.710 1.682 ( 0.053 -2.349 -2.000) 3.085 1.682 ( 0.053 2.349 -2.000) 3.085 1.789 ( -2.931 -1.685 1.200) 3.588 1.789 ( -2.931 1.685 1.200) 3.588 2.013 ( 2.115 -1.568 0.824) 2.759 2.013 ( 2.115 1.568 0.824) 2.759 2.065 ( -0.314 -1.806 2.346) 2.977 2.065 ( -0.314 1.806 2.346) 2.977 2.294 ( 5.603 -4.507 -2.857) 7.737 2.294 ( 5.603 4.507 -2.857) 7.737 2.357 ( 2.604 -2.841 -1.224) 4.044 2.357 ( 2.604 2.841 -1.224) 4.044 2.522 ( -0.076 -1.516 -0.278) 1.543 2.522 ( -0.076 1.516 -0.278) 1.543 2.565 ( -0.811 -1.066 1.415) 1.948 2.565 ( -0.811 1.066 1.415) 1.948 2.837 ( 4.514 -2.780 -0.512) 5.326 2.837 ( 4.514 2.780 -0.512) 5.326 2.929 ( 0.914 -0.958 -0.040) 1.325 2.929 ( 0.914 0.958 -0.040) 1.325 2.998 ( 1.264 -1.101 -1.797) 2.458 2.998 ( 1.264 1.102 -1.797) 2.458 3.096 ( -2.656 -1.127 -0.857) 3.010 3.096 ( -2.656 1.127 -0.857) 3.010 3.169 ( 0.218 -2.033 1.301) 2.423 3.169 ( 0.218 2.033 1.301) 2.423 3.293 ( -4.874 -0.781 0.605) 4.973 3.293 ( -4.874 0.781 0.605) 4.973 3.585 ( 0.618 -1.081 -0.455) 1.326 3.585 ( 0.618 1.081 -0.455) 1.326 3.621 ( -1.052 -0.929 0.033) 1.404 3.621 ( -1.052 0.929 0.033) 1.404 3.937 ( 6.567 -2.972 1.902) 7.455 3.937 ( 6.567 2.972 1.902) 7.455 4.134 ( -2.173 -12.102 0.869) 12.326 4.134 ( -2.173 12.102 0.869) 12.326 7.080 ( 1.613 -1.116 -0.445) 2.011 7.080 ( 1.613 1.116 -0.445) 2.011 7.141 ( -0.953 -1.421 0.444) 1.768 7.141 ( -0.953 1.421 0.444) 1.768 7.526 ( 0.745 -1.957 -0.015) 2.094 7.526 ( 0.745 1.957 -0.015) 2.094 7.547 ( -0.336 -1.073 -0.375) 1.185 7.547 ( -0.336 1.073 -0.375) 1.185 10.473 ( 0.500 -0.366 -0.258) 0.671 10.473 ( 0.500 0.366 -0.258) 0.671 10.545 ( -2.473 -0.739 1.623) 3.048 10.545 ( -2.473 0.739 1.623) 3.048 10.653 ( 0.097 -0.507 -0.575) 0.773 10.653 ( 0.097 0.507 -0.575) 0.773 10.712 ( -1.936 -1.518 -0.121) 2.463 10.712 ( -1.936 1.518 -0.121) 2.463 10.931 ( 1.040 -0.977 0.138) 1.433 10.931 ( 1.040 0.977 0.138) 1.433 11.050 ( -3.659 -0.483 -0.545) 3.731 11.050 ( -3.659 0.483 -0.545) 3.731 15.826 ( 0.601 -0.251 -0.047) 0.653 15.826 ( 0.601 0.251 -0.047) 0.653 15.834 ( 0.260 -0.280 0.170) 0.418 15.834 ( 0.260 0.280 0.170) 0.418 23.175 ( 1.762 -2.915 -1.646) 3.783 23.175 ( 1.762 2.915 -1.646) 3.783 23.237 ( -1.209 -3.299 0.871) 3.620 23.237 ( -1.209 3.299 0.871) 3.620 23.695 ( 3.461 -0.950 -0.708) 3.658 23.695 ( 3.461 0.950 -0.708) 3.658 23.965 ( -6.205 -4.823 0.703) 7.890 23.965 ( -6.205 4.823 0.703) 7.890 24.427 ( 8.527 -5.542 -1.211) 10.242 24.427 ( 8.527 5.542 -1.211) 10.242 24.611 ( -0.987 -7.861 1.875) 8.142 24.611 ( -0.987 7.861 1.875) 8.142 ======================= Grid point 97 (40/60) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.986 -4.264 1.649) 4.677 1.211 ( 0.973 -4.263 1.649) 4.673 1.211 ( -0.973 4.263 1.649) 4.673 1.211 ( 0.986 4.264 1.649) 4.677 1.393 ( -0.874 -1.853 -1.449) 2.510 1.393 ( 0.012 -1.801 -1.449) 2.312 1.393 ( -0.012 1.801 -1.449) 2.312 1.393 ( 0.874 1.853 -1.449) 2.510 1.547 ( -0.617 -5.001 -2.291) 5.535 1.547 ( 0.585 -5.000 -2.291) 5.531 1.547 ( -0.585 5.000 -2.291) 5.531 1.547 ( 0.617 5.001 -2.291) 5.535 1.712 ( -3.226 -1.938 -0.687) 3.826 1.712 ( 1.601 -1.340 -0.687) 2.198 1.712 ( -1.601 1.340 -0.687) 2.198 1.712 ( 3.226 1.938 -0.687) 3.826 2.053 ( -0.912 -1.696 2.351) 3.038 2.053 ( -0.017 -1.633 2.351) 2.862 2.053 ( 0.017 1.633 2.351) 2.862 2.053 ( 0.912 1.696 2.351) 3.038 2.375 ( -1.340 -2.914 -1.781) 3.669 2.375 ( 1.167 -2.895 -1.781) 3.594 2.375 ( -1.167 2.895 -1.781) 3.594 2.375 ( 1.340 2.914 -1.781) 3.669 2.535 ( -1.081 -2.655 -0.124) 2.870 2.535 ( 0.410 -2.608 -0.124) 2.643 2.535 ( -0.410 2.608 -0.124) 2.643 2.535 ( 1.081 2.655 -0.124) 2.870 2.916 ( -2.047 -2.901 0.042) 3.551 2.916 ( 1.001 -2.760 0.042) 2.936 2.916 ( -1.001 2.760 0.042) 2.936 2.916 ( 2.047 2.901 0.042) 3.551 3.042 ( -2.501 -2.348 -1.090) 3.600 3.042 ( 1.344 -2.098 -1.090) 2.720 3.042 ( -1.344 2.098 -1.090) 2.720 3.042 ( 2.501 2.348 -1.090) 3.600 3.200 ( -3.068 -2.006 0.858) 3.764 3.200 ( 0.216 -1.297 0.858) 1.570 3.200 ( -0.216 1.297 0.858) 1.570 3.200 ( 3.068 2.006 0.858) 3.764 3.600 ( -0.875 -0.971 0.064) 1.308 3.600 ( 0.838 -0.963 0.064) 1.278 3.600 ( -0.838 0.963 0.064) 1.278 3.600 ( 0.875 0.971 0.064) 1.308 4.061 ( -4.962 -7.765 1.137) 9.285 4.061 ( 4.932 -7.760 1.137) 9.265 4.061 ( -4.932 7.760 1.137) 9.265 4.061 ( 4.962 7.765 1.137) 9.285 7.114 ( -1.372 -1.760 0.028) 2.232 7.114 ( 0.665 -1.655 0.028) 1.783 7.114 ( -0.665 1.655 0.028) 1.783 7.114 ( 1.372 1.760 0.028) 2.232 7.539 ( -0.454 -1.386 -0.274) 1.484 7.539 ( 0.398 -1.381 -0.274) 1.464 7.539 ( -0.398 1.381 -0.274) 1.464 7.539 ( 0.454 1.386 -0.274) 1.484 10.496 ( -1.730 -0.815 0.788) 2.069 10.496 ( -0.731 -0.221 0.788) 1.097 10.496 ( 0.731 0.221 0.788) 1.097 10.496 ( 1.730 0.815 0.788) 2.069 10.673 ( -1.537 -0.989 -0.106) 1.831 10.673 ( -0.025 -0.622 -0.106) 0.631 10.673 ( 0.025 0.622 -0.106) 0.631 10.673 ( 1.537 0.989 -0.106) 1.831 10.977 ( -3.026 -1.033 -0.510) 3.238 10.977 ( -2.226 0.130 -0.510) 2.288 10.977 ( 2.226 -0.130 -0.510) 2.288 10.977 ( 3.026 1.033 -0.510) 3.238 15.835 ( -0.134 -0.543 0.060) 0.563 15.835 ( 0.078 -0.541 0.060) 0.549 15.835 ( -0.078 0.541 0.060) 0.549 15.835 ( 0.134 0.543 0.060) 0.563 23.209 ( -1.438 -3.244 -0.311) 3.562 23.209 ( 1.303 -3.230 -0.311) 3.496 23.209 ( -1.303 3.230 -0.311) 3.496 23.209 ( 1.438 3.244 -0.311) 3.562 23.813 ( -7.357 -2.743 -0.716) 7.884 23.813 ( -5.599 1.353 -0.716) 5.805 23.813 ( 5.599 -1.353 -0.716) 5.805 23.813 ( 7.357 2.743 -0.716) 7.884 24.563 ( -4.189 -6.472 0.963) 7.769 24.563 ( 3.948 -6.434 0.963) 7.610 24.563 ( -3.948 6.434 0.963) 7.610 24.563 ( 4.189 6.472 0.963) 7.769 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 0.000 15.079) 15.079 0.622 ( 0.000 0.000 15.076) 15.076 0.865 ( 0.000 0.000 -8.296) 8.296 0.867 ( 0.000 0.000 -13.768) 13.768 1.095 ( 0.000 0.000 19.297) 19.297 1.385 ( 0.000 0.000 -8.267) 8.267 1.427 ( 0.000 0.000 3.994) 3.994 1.459 ( 0.000 0.000 0.552) 0.552 1.459 ( 0.000 0.000 0.303) 0.303 1.523 ( 0.000 0.000 -4.263) 4.263 1.543 ( 0.000 0.000 4.414) 4.414 1.637 ( 0.000 0.000 -6.253) 6.253 1.682 ( 0.000 0.000 2.447) 2.447 1.710 ( 0.000 0.000 -0.805) 0.805 1.735 ( 0.000 0.000 -0.789) 0.789 1.769 ( 0.000 0.000 -5.563) 5.563 1.848 ( 0.000 0.000 3.249) 3.249 1.883 ( 0.000 0.000 2.064) 2.064 1.910 ( 0.000 0.000 -2.743) 2.743 1.921 ( 0.000 0.000 -1.677) 1.677 2.011 ( 0.000 0.000 4.424) 4.424 2.113 ( 0.000 0.000 -6.574) 6.574 2.176 ( 0.000 0.000 2.010) 2.010 2.221 ( 0.000 0.000 -2.478) 2.478 2.298 ( 0.000 0.000 2.589) 2.589 2.343 ( 0.000 0.000 -1.905) 1.905 2.510 ( 0.000 0.000 4.705) 4.705 2.585 ( 0.000 0.000 -3.072) 3.072 2.606 ( 0.000 0.000 0.034) 0.034 2.618 ( 0.000 0.000 -1.099) 1.099 2.954 ( 0.000 0.000 1.719) 1.719 2.984 ( 0.000 0.000 -1.436) 1.436 3.030 ( 0.000 0.000 2.588) 2.588 3.081 ( 0.000 0.000 -2.268) 2.268 3.177 ( 0.000 0.000 3.795) 3.795 3.210 ( 0.000 0.000 -0.423) 0.423 3.244 ( 0.000 0.000 1.729) 1.729 3.282 ( 0.000 0.000 -2.171) 2.171 3.292 ( 0.000 0.000 1.098) 1.098 3.337 ( 0.000 0.000 1.381) 1.381 3.359 ( 0.000 0.000 -5.433) 5.433 3.361 ( 0.000 0.000 -1.113) 1.113 3.407 ( 0.000 0.000 0.836) 0.836 3.416 ( 0.000 0.000 -0.186) 0.186 3.654 ( 0.000 0.000 5.721) 5.721 3.782 ( 0.000 0.000 -7.591) 7.591 4.656 ( 0.000 0.000 12.765) 12.765 4.873 ( 0.000 0.000 -9.954) 9.954 7.061 ( 0.000 0.000 1.875) 1.875 7.100 ( 0.000 0.000 -2.172) 2.172 7.145 ( 0.000 0.000 0.070) 0.070 7.146 ( 0.000 0.000 -0.036) 0.036 7.278 ( 0.000 0.000 0.216) 0.216 7.282 ( 0.000 0.000 -0.202) 0.202 7.387 ( 0.000 0.000 4.798) 4.798 7.469 ( 0.000 0.000 -3.689) 3.689 10.491 ( 0.000 0.000 -0.574) 0.574 10.494 ( 0.000 0.000 -0.845) 0.845 10.617 ( 0.000 0.000 0.411) 0.411 10.619 ( 0.000 0.000 0.034) 0.034 10.716 ( 0.000 0.000 0.578) 0.578 10.727 ( 0.000 0.000 -0.594) 0.594 10.765 ( 0.000 0.000 -0.123) 0.123 10.773 ( 0.000 0.000 -0.718) 0.718 10.792 ( 0.000 0.000 0.291) 0.291 10.798 ( 0.000 0.000 -0.248) 0.248 10.971 ( 0.000 0.000 2.289) 2.289 11.002 ( 0.000 0.000 -1.039) 1.039 15.818 ( 0.000 0.000 0.396) 0.396 15.825 ( 0.000 0.000 -0.348) 0.348 15.846 ( 0.000 0.000 0.287) 0.287 15.852 ( 0.000 0.000 -0.316) 0.316 23.198 ( 0.000 0.000 4.603) 4.603 23.289 ( 0.000 0.000 -4.743) 4.743 23.418 ( 0.000 0.000 0.149) 0.149 23.422 ( 0.000 0.000 -0.303) 0.303 23.459 ( 0.000 0.000 0.475) 0.475 23.466 ( 0.000 0.000 -0.347) 0.347 23.876 ( 0.000 0.000 2.965) 2.965 23.939 ( 0.000 0.000 -3.733) 3.733 24.423 ( 0.000 0.000 7.802) 7.802 24.557 ( 0.000 0.000 -5.339) 5.339 24.641 ( 0.000 0.000 2.891) 2.891 24.719 ( 0.000 0.000 -4.316) 4.316 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 1.272 0.000 14.463) 14.519 0.676 ( 7.216 0.000 12.676) 14.586 0.862 ( -0.078 0.000 -12.351) 12.351 0.914 ( 4.293 0.000 -12.359) 13.083 1.264 ( 12.639 0.000 15.674) 20.136 1.391 ( -2.672 0.000 -1.639) 3.135 1.403 ( -1.550 0.000 3.880) 4.178 1.410 ( -4.003 0.000 1.896) 4.429 1.443 ( -2.451 0.000 -1.501) 2.874 1.553 ( 1.964 0.000 -0.472) 2.020 1.578 ( 4.657 0.000 -1.470) 4.883 1.614 ( -1.627 0.000 -2.271) 2.794 1.692 ( 0.913 0.000 2.596) 2.752 1.724 ( 1.369 0.000 -1.037) 1.717 1.727 ( -0.429 0.000 -0.650) 0.779 1.765 ( -0.118 0.000 -3.863) 3.865 1.828 ( -1.701 0.000 3.831) 4.191 1.885 ( 2.713 0.000 -2.360) 3.595 1.900 ( -1.025 0.000 -3.349) 3.502 1.901 ( -0.756 0.000 -2.277) 2.399 2.045 ( 2.156 0.000 2.621) 3.394 2.118 ( -0.410 0.000 -5.126) 5.142 2.172 ( -0.294 0.000 2.225) 2.244 2.203 ( -1.228 0.000 -0.365) 1.281 2.319 ( 1.467 0.000 0.453) 1.536 2.350 ( 0.589 0.000 -2.091) 2.173 2.516 ( -0.583 0.000 1.512) 1.620 2.529 ( -5.115 0.000 -0.001) 5.115 2.620 ( 1.415 0.000 0.639) 1.553 2.639 ( 1.722 0.000 -1.218) 2.109 2.945 ( -0.793 0.000 1.442) 1.646 2.972 ( -1.139 0.000 -1.327) 1.748 2.981 ( -2.315 0.000 1.747) 2.900 3.021 ( -3.588 0.000 -2.059) 4.137 3.179 ( -1.248 0.000 5.615) 5.752 3.245 ( 1.900 0.000 2.324) 3.002 3.253 ( 0.803 0.000 1.685) 1.866 3.283 ( -3.423 0.000 -1.225) 3.635 3.288 ( 0.567 0.000 -1.934) 2.016 3.314 ( 1.406 0.000 -1.272) 1.896 3.334 ( -0.259 0.000 1.286) 1.312 3.358 ( -0.308 0.000 -1.143) 1.184 3.410 ( 1.029 0.000 -0.591) 1.187 3.426 ( -0.858 0.000 -2.685) 2.818 3.771 ( 9.461 0.000 6.219) 11.322 3.909 ( 10.870 0.000 -7.899) 13.437 4.594 ( -5.322 0.000 13.917) 14.900 4.842 ( -3.770 0.000 -12.465) 13.023 7.091 ( 2.505 0.000 2.348) 3.434 7.136 ( 2.873 0.000 -2.307) 3.684 7.152 ( 0.703 0.000 0.080) 0.708 7.153 ( 0.723 0.000 -0.049) 0.725 7.269 ( -0.886 0.000 0.204) 0.909 7.272 ( -0.910 0.000 -0.188) 0.929 7.396 ( 0.603 0.000 4.516) 4.556 7.472 ( 0.088 0.000 -3.298) 3.299 10.496 ( 0.183 0.000 -0.036) 0.186 10.502 ( 0.833 0.000 -0.783) 1.143 10.614 ( -0.040 0.000 0.582) 0.583 10.629 ( 0.554 0.000 -0.816) 0.986 10.718 ( 0.146 0.000 0.510) 0.531 10.728 ( 0.016 0.000 -0.523) 0.524 10.744 ( -1.617 0.000 -0.020) 1.617 10.756 ( -1.631 0.000 -1.108) 1.972 10.792 ( -0.032 0.000 0.247) 0.249 10.796 ( -0.105 0.000 -0.208) 0.233 10.910 ( -4.882 0.000 2.362) 5.423 10.946 ( -4.831 0.000 -1.438) 5.041 15.819 ( 0.132 0.000 0.363) 0.386 15.826 ( 0.060 0.000 -0.387) 0.391 15.855 ( 0.765 0.000 0.393) 0.860 15.862 ( 0.749 0.000 -0.344) 0.825 23.195 ( 0.164 0.000 4.519) 4.522 23.281 ( -0.126 0.000 -4.268) 4.270 23.421 ( 0.244 0.000 0.132) 0.277 23.424 ( 0.198 0.000 -0.266) 0.331 23.457 ( -0.166 0.000 0.428) 0.459 23.464 ( -0.235 0.000 -0.318) 0.395 23.709 ( -10.998 0.000 9.544) 14.562 23.861 ( -7.069 0.000 -7.143) 10.050 24.482 ( 5.545 0.000 8.529) 10.173 24.630 ( 5.404 0.000 -7.000) 8.843 24.688 ( 4.681 0.000 7.827) 9.120 24.866 ( 8.687 0.000 -11.388) 14.323 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 8.535 0.000 7.348) 11.262 0.859 ( 9.773 0.000 8.510) 12.959 0.890 ( 2.510 0.000 -10.242) 10.545 1.024 ( 5.572 0.000 -8.532) 10.190 1.257 ( -7.569 0.000 -0.365) 7.578 1.279 ( -6.962 0.000 -2.260) 7.319 1.299 ( -6.128 0.000 2.507) 6.621 1.361 ( -5.272 0.000 -3.615) 6.392 1.533 ( 4.307 0.000 6.122) 7.485 1.584 ( -0.563 0.000 1.286) 1.404 1.635 ( 7.672 0.000 4.232) 8.761 1.687 ( 3.197 0.000 -1.089) 3.377 1.718 ( 1.506 0.000 3.279) 3.608 1.736 ( 3.360 0.000 3.516) 4.864 1.765 ( 2.485 0.000 -1.906) 3.132 1.789 ( -1.876 0.000 4.375) 4.761 1.797 ( 2.411 0.000 -1.919) 3.082 1.868 ( -2.023 0.000 -3.678) 4.198 1.914 ( 2.909 0.000 0.881) 3.040 1.991 ( 4.966 0.000 -2.730) 5.667 2.073 ( -0.644 0.000 -0.203) 0.676 2.125 ( 4.323 0.000 -7.287) 8.473 2.166 ( -0.177 0.000 2.328) 2.335 2.180 ( -0.916 0.000 1.256) 1.555 2.346 ( 1.049 0.000 -1.097) 1.518 2.361 ( 0.329 0.000 -2.272) 2.296 2.366 ( -10.241 0.000 5.313) 11.537 2.461 ( -5.296 0.000 -4.314) 6.830 2.660 ( 2.158 0.000 0.896) 2.337 2.677 ( 1.616 0.000 -0.744) 1.779 2.926 ( -0.855 0.000 0.711) 1.112 2.942 ( -1.527 0.000 -0.944) 1.795 2.977 ( 2.018 0.000 1.157) 2.326 3.005 ( 1.916 0.000 -1.362) 2.351 3.128 ( -3.410 0.000 3.345) 4.777 3.175 ( -4.693 0.000 -0.897) 4.778 3.273 ( 1.048 0.000 1.508) 1.837 3.297 ( 1.249 0.000 3.561) 3.774 3.299 ( 0.240 0.000 -0.790) 0.826 3.329 ( -0.026 0.000 0.454) 0.455 3.349 ( -0.546 0.000 -1.182) 1.302 3.368 ( 2.721 0.000 -2.099) 3.436 3.380 ( -2.282 0.000 1.617) 2.796 3.434 ( 0.221 0.000 -2.613) 2.622 3.998 ( 11.969 0.000 8.716) 14.806 4.176 ( 13.999 0.000 -9.191) 16.747 4.452 ( -8.342 0.000 13.164) 15.585 4.705 ( -9.368 0.000 -13.197) 16.184 7.146 ( 2.575 0.000 2.643) 3.690 7.173 ( 1.210 0.000 0.098) 1.214 7.174 ( 1.224 0.000 -0.075) 1.226 7.188 ( 1.550 0.000 -1.584) 2.216 7.244 ( -1.377 0.000 0.170) 1.387 7.247 ( -1.428 0.000 -0.149) 1.435 7.408 ( 0.732 0.000 3.569) 3.644 7.463 ( -1.017 0.000 -2.148) 2.376 10.501 ( 0.283 0.000 0.762) 0.813 10.515 ( 0.180 0.000 -0.784) 0.804 10.614 ( 0.092 0.000 0.491) 0.500 10.636 ( 0.027 0.000 -1.825) 1.825 10.716 ( -1.373 0.000 0.591) 1.495 10.722 ( -0.538 0.000 -0.650) 0.844 10.722 ( 0.180 0.000 0.268) 0.323 10.728 ( -0.042 0.000 -0.311) 0.313 10.791 ( -0.017 0.000 0.137) 0.138 10.794 ( -0.128 0.000 -0.113) 0.171 10.814 ( -3.803 0.000 0.775) 3.881 10.840 ( -4.677 0.000 -1.649) 4.959 15.824 ( 0.291 0.000 0.214) 0.361 15.828 ( 0.103 0.000 -0.237) 0.258 15.871 ( 0.701 0.000 0.259) 0.747 15.876 ( 0.510 0.000 -0.233) 0.561 23.222 ( 2.511 0.000 4.839) 5.452 23.301 ( 1.647 0.000 -2.591) 3.070 23.427 ( 0.343 0.000 0.095) 0.356 23.429 ( 0.269 0.000 -0.167) 0.317 23.453 ( -0.209 0.000 0.279) 0.348 23.457 ( -0.364 0.000 -0.229) 0.430 23.527 ( -5.864 0.000 8.127) 10.021 23.684 ( -9.132 0.000 -7.872) 12.057 24.617 ( 6.521 0.000 7.249) 9.750 24.720 ( 2.494 0.000 0.468) 2.538 24.814 ( 6.820 0.000 1.593) 7.003 24.973 ( 1.392 0.000 -10.963) 11.051 ======================= Grid point 129 (44/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -5.606 0.000 -1.002) 5.695 0.885 ( 5.606 0.000 -1.002) 5.695 1.042 ( -6.318 0.000 3.080) 7.029 1.042 ( 6.318 0.000 3.080) 7.029 1.165 ( -1.714 0.000 -3.312) 3.729 1.165 ( 1.714 0.000 -3.312) 3.729 1.250 ( -3.806 0.000 -3.946) 5.482 1.250 ( 3.806 0.000 -3.946) 5.482 1.571 ( -0.938 0.000 3.597) 3.717 1.571 ( 0.938 0.000 3.597) 3.717 1.705 ( -0.605 0.000 -1.819) 1.916 1.705 ( 0.605 0.000 -1.819) 1.916 1.752 ( -1.755 0.000 4.100) 4.460 1.752 ( 1.755 0.000 4.100) 4.460 1.820 ( -2.612 0.000 -3.033) 4.003 1.820 ( 2.612 0.000 -3.033) 4.003 1.820 ( -1.040 0.000 -0.114) 1.046 1.820 ( 1.040 0.000 -0.114) 1.046 2.028 ( -1.838 0.000 1.123) 2.154 2.028 ( 1.838 0.000 1.123) 2.154 2.112 ( -10.322 0.000 8.043) 13.086 2.112 ( 10.322 0.000 8.043) 13.086 2.167 ( -0.320 0.000 2.015) 2.040 2.167 ( 0.320 0.000 2.015) 2.040 2.307 ( -8.731 0.000 -8.922) 12.483 2.307 ( 8.731 0.000 -8.922) 12.483 2.360 ( -0.366 0.000 -1.901) 1.936 2.360 ( 0.366 0.000 -1.901) 1.936 2.691 ( -0.481 0.000 0.235) 0.536 2.691 ( 0.481 0.000 0.235) 0.536 2.920 ( -0.431 0.000 -0.225) 0.486 2.920 ( 0.431 0.000 -0.225) 0.486 3.046 ( -3.933 0.000 1.417) 4.180 3.046 ( 3.933 0.000 1.417) 4.180 3.078 ( -4.326 0.000 -0.556) 4.361 3.078 ( 4.326 0.000 -0.556) 4.361 3.292 ( -0.760 0.000 0.975) 1.236 3.292 ( 0.760 0.000 0.975) 1.236 3.330 ( -2.020 0.000 2.422) 3.153 3.330 ( 2.020 0.000 2.422) 3.153 3.337 ( -0.599 0.000 -0.964) 1.135 3.337 ( 0.599 0.000 -0.964) 1.135 3.418 ( -1.689 0.000 -1.801) 2.469 3.418 ( 1.689 0.000 -1.801) 2.469 4.240 ( -10.881 0.000 11.502) 15.833 4.240 ( 10.881 0.000 11.502) 15.833 4.470 ( -12.858 0.000 -11.648) 17.349 4.470 ( 12.858 0.000 -11.648) 17.349 7.189 ( -1.311 0.000 1.147) 1.742 7.189 ( 1.311 0.000 1.147) 1.742 7.193 ( -0.127 0.000 0.014) 0.128 7.193 ( 0.127 0.000 0.014) 0.128 7.224 ( -0.162 0.000 0.007) 0.162 7.224 ( 0.162 0.000 0.007) 0.162 7.433 ( -1.616 0.000 0.296) 1.643 7.433 ( 1.616 0.000 0.296) 1.643 10.509 ( -0.511 0.000 0.177) 0.540 10.509 ( 0.511 0.000 0.177) 0.540 10.624 ( -0.900 0.000 -0.914) 1.283 10.624 ( 0.900 0.000 -0.914) 1.283 10.714 ( -0.888 0.000 0.862) 1.237 10.714 ( 0.888 0.000 0.862) 1.237 10.726 ( -0.156 0.000 0.003) 0.156 10.726 ( 0.156 0.000 0.003) 0.156 10.777 ( -0.922 0.000 -1.417) 1.691 10.777 ( 0.922 0.000 -1.417) 1.691 10.792 ( -0.060 0.000 0.007) 0.060 10.792 ( 0.060 0.000 0.007) 0.060 15.828 ( -0.111 0.000 -0.008) 0.112 15.828 ( 0.111 0.000 -0.008) 0.112 15.880 ( -0.126 0.000 -0.000) 0.126 15.880 ( 0.126 0.000 -0.000) 0.126 23.289 ( -3.194 0.000 4.496) 5.515 23.289 ( 3.194 0.000 4.496) 5.515 23.432 ( -0.083 0.000 0.009) 0.084 23.432 ( 0.083 0.000 0.009) 0.084 23.451 ( -0.152 0.000 -0.019) 0.153 23.451 ( 0.152 0.000 -0.019) 0.153 23.522 ( -5.428 0.000 -3.512) 6.465 23.522 ( 5.428 0.000 -3.512) 6.465 24.718 ( -2.757 0.000 5.612) 6.252 24.718 ( 2.757 0.000 5.612) 6.252 24.936 ( -4.420 0.000 -6.191) 7.607 24.936 ( 4.420 0.000 -6.191) 7.607 ======================= Grid point 133 (45/60) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.000 6.168 12.652) 14.075 0.705 ( 0.000 7.613 12.179) 14.363 0.905 ( 0.000 3.357 -12.066) 12.525 0.927 ( 0.000 5.115 -9.501) 10.790 1.224 ( 0.000 11.238 16.848) 20.252 1.414 ( 0.000 0.882 -2.982) 3.110 1.424 ( 0.000 -0.428 1.629) 1.685 1.432 ( 0.000 -1.340 -0.346) 1.384 1.459 ( 0.000 0.221 2.682) 2.691 1.551 ( 0.000 1.238 -2.157) 2.487 1.559 ( 0.000 1.125 3.344) 3.528 1.626 ( 0.000 -0.040 -4.820) 4.820 1.641 ( 0.000 -3.352 -0.397) 3.376 1.681 ( 0.000 1.580 -4.262) 4.546 1.790 ( 0.000 1.866 1.239) 2.240 1.826 ( 0.000 3.759 -3.966) 5.464 1.856 ( 0.000 -1.422 1.869) 2.348 1.882 ( 0.000 0.435 -0.426) 0.608 1.930 ( 0.000 -0.157 1.818) 1.824 1.939 ( 0.000 3.709 -0.530) 3.747 2.015 ( 0.000 1.641 0.746) 1.802 2.078 ( 0.000 -2.328 -5.024) 5.537 2.266 ( 0.000 6.854 -0.276) 6.859 2.276 ( 0.000 4.376 -1.390) 4.592 2.330 ( 0.000 2.952 2.156) 3.656 2.368 ( 0.000 2.117 -1.715) 2.724 2.490 ( 0.000 -1.457 4.274) 4.516 2.560 ( 0.000 -1.974 -2.978) 3.573 2.639 ( 0.000 2.817 -0.519) 2.864 2.650 ( 0.000 2.821 -1.828) 3.362 2.938 ( 0.000 -2.064 3.205) 3.812 2.990 ( 0.000 0.268 -2.232) 2.248 3.020 ( 0.000 -0.932 3.136) 3.272 3.083 ( 0.000 0.069 -2.907) 2.908 3.164 ( 0.000 -0.804 4.073) 4.151 3.175 ( 0.000 -4.678 1.506) 4.914 3.179 ( 0.000 -2.936 -0.258) 2.948 3.255 ( 0.000 -2.780 -4.479) 5.272 3.310 ( 0.000 5.015 1.385) 5.203 3.344 ( 0.000 2.940 -2.062) 3.591 3.370 ( 0.000 0.797 1.495) 1.694 3.386 ( 0.000 0.142 -0.316) 0.346 3.481 ( 0.000 5.446 0.173) 5.449 3.496 ( 0.000 4.989 -1.423) 5.188 3.650 ( 0.000 -0.461 4.861) 4.883 3.759 ( 0.000 -2.123 -6.447) 6.788 4.562 ( 0.000 -8.215 12.534) 14.986 4.775 ( 0.000 -8.192 -9.743) 12.730 7.032 ( 0.000 -1.573 1.507) 2.178 7.065 ( 0.000 -1.815 -1.946) 2.661 7.207 ( 0.000 4.873 0.308) 4.883 7.211 ( 0.000 4.747 -0.018) 4.747 7.278 ( 0.000 -0.579 0.719) 0.923 7.289 ( 0.000 -0.236 -0.399) 0.463 7.413 ( 0.000 2.853 3.670) 4.648 7.479 ( 0.000 1.345 -3.053) 3.336 10.469 ( 0.000 -1.579 -0.310) 1.609 10.473 ( 0.000 -1.324 -0.719) 1.506 10.604 ( 0.000 -0.756 -0.059) 0.759 10.605 ( 0.000 -0.822 -0.250) 0.859 10.733 ( 0.000 -1.189 0.050) 1.190 10.736 ( 0.000 -1.632 -0.352) 1.669 10.757 ( 0.000 0.471 1.055) 1.156 10.776 ( 0.000 1.583 -0.705) 1.733 10.843 ( 0.000 4.540 0.748) 4.601 10.857 ( 0.000 5.912 -0.635) 5.946 10.972 ( 0.000 0.251 1.678) 1.697 10.997 ( 0.000 -0.338 -0.960) 1.017 15.818 ( 0.000 -0.038 0.394) 0.395 15.825 ( 0.000 -0.054 -0.347) 0.352 15.841 ( 0.000 -0.455 0.268) 0.528 15.846 ( 0.000 -0.523 -0.271) 0.589 23.147 ( 0.000 -3.424 4.248) 5.456 23.234 ( 0.000 -3.748 -4.639) 5.964 23.429 ( 0.000 -0.387 2.984) 3.009 23.466 ( 0.000 2.042 -1.220) 2.379 23.499 ( 0.000 3.738 0.141) 3.740 23.502 ( 0.000 3.276 -0.085) 3.277 23.896 ( 0.000 1.813 2.503) 3.090 23.949 ( 0.000 0.830 -3.221) 3.326 24.388 ( 0.000 -3.256 7.266) 7.962 24.512 ( 0.000 -4.061 -4.803) 6.289 24.595 ( 0.000 -3.651 4.347) 5.677 24.714 ( 0.000 -0.246 -7.402) 7.407 ======================= Grid point 134 (46/60) ======================= q-point: ( 0.17 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 1.586 7.598 11.390) 13.784 0.744 ( 5.789 6.053 10.867) 13.720 0.910 ( 0.965 4.487 -10.111) 11.104 0.974 ( 4.135 4.685 -11.267) 12.883 1.332 ( 4.653 4.549 7.323) 9.797 1.379 ( -3.615 -1.415 0.538) 3.919 1.397 ( -2.854 0.125 0.675) 2.935 1.420 ( -1.471 0.199 -0.006) 1.485 1.465 ( 3.892 4.234 6.827) 8.927 1.575 ( 2.614 -1.247 0.565) 2.951 1.582 ( 0.974 1.735 2.503) 3.198 1.647 ( 0.787 -3.345 0.267) 3.447 1.653 ( -0.316 3.652 -3.905) 5.356 1.691 ( 3.145 -0.435 -2.490) 4.035 1.774 ( -1.517 0.828 1.371) 2.206 1.798 ( -1.000 3.040 -0.497) 3.238 1.830 ( -1.587 -0.752 -0.162) 1.764 1.863 ( 0.586 1.133 -4.840) 5.005 1.946 ( 1.121 4.874 0.500) 5.026 1.962 ( 0.770 2.303 -0.529) 2.485 2.027 ( 1.047 -0.780 0.421) 1.372 2.076 ( 0.051 -2.025 -4.219) 4.680 2.260 ( -1.105 5.606 0.828) 5.774 2.265 ( -0.589 5.543 0.143) 5.576 2.348 ( 1.087 2.309 0.210) 2.561 2.376 ( 0.875 1.849 -2.170) 2.983 2.495 ( -0.804 -1.294 1.739) 2.312 2.514 ( -3.986 -0.892 -0.267) 4.094 2.651 ( 1.443 2.642 0.591) 3.068 2.679 ( 2.130 3.385 -2.125) 4.529 2.931 ( -0.527 -2.072 2.554) 3.331 2.963 ( -2.124 -1.246 0.049) 2.463 2.990 ( -1.256 1.004 -0.243) 1.626 3.012 ( -3.508 -0.290 -1.194) 3.717 3.145 ( -1.606 -1.918 3.320) 4.157 3.188 ( 0.522 -2.371 2.203) 3.278 3.218 ( -0.514 -3.877 -1.064) 4.053 3.267 ( 2.112 -1.733 -2.678) 3.826 3.319 ( 0.997 4.202 0.214) 4.324 3.338 ( 0.490 2.882 -1.201) 3.160 3.372 ( -0.412 1.325 1.271) 1.882 3.394 ( 0.498 1.427 -0.754) 1.689 3.471 ( -0.940 5.385 0.514) 5.490 3.487 ( -0.755 4.939 -1.373) 5.182 3.750 ( 8.557 -1.821 5.532) 10.351 3.873 ( 10.042 -3.264 -7.032) 12.686 4.508 ( -4.636 -7.502 13.819) 16.393 4.752 ( -3.083 -7.788 -11.871) 14.528 7.061 ( 2.482 -1.724 1.721) 3.478 7.095 ( 2.464 -2.068 -1.777) 3.676 7.213 ( 0.516 4.640 0.360) 4.683 7.219 ( 0.662 4.638 -0.185) 4.689 7.285 ( 0.276 0.213 0.352) 0.496 7.291 ( 0.151 0.575 -0.194) 0.626 7.406 ( -0.617 2.013 3.759) 4.309 7.471 ( -0.764 0.545 -2.910) 3.058 10.476 ( 0.607 -1.396 0.065) 1.524 10.484 ( 0.908 -1.312 -0.853) 1.809 10.606 ( 0.257 -0.565 0.248) 0.669 10.614 ( 0.790 -0.883 -0.526) 1.296 10.706 ( -2.343 -1.421 -0.068) 2.741 10.709 ( -2.612 -1.486 -0.431) 3.035 10.758 ( 0.314 0.142 0.998) 1.056 10.777 ( 0.291 1.524 -0.838) 1.763 10.838 ( -0.922 4.131 0.853) 4.318 10.848 ( -0.527 4.853 -0.106) 4.883 10.922 ( -3.847 1.361 0.927) 4.185 10.943 ( -4.693 -0.079 -1.164) 4.836 15.818 ( 0.124 -0.047 0.338) 0.363 15.825 ( 0.028 -0.121 -0.338) 0.360 15.851 ( 0.797 -0.388 0.332) 0.947 15.857 ( 0.768 -0.500 -0.285) 0.960 23.158 ( 1.161 -2.674 4.226) 5.134 23.242 ( 0.958 -2.868 -4.343) 5.292 23.420 ( -0.830 -1.202 3.045) 3.377 23.455 ( -0.895 1.402 -1.006) 1.943 23.492 ( -0.461 3.267 0.404) 3.324 23.499 ( -0.288 3.133 -0.255) 3.157 23.771 ( -8.743 5.369 5.585) 11.681 23.880 ( -6.156 2.155 -6.012) 8.871 24.455 ( 5.639 -2.641 7.562) 9.796 24.586 ( 5.645 -4.165 -6.276) 9.413 24.634 ( 4.068 -4.370 8.458) 10.353 24.819 ( 6.961 -3.667 -10.987) 13.514 ======================= Grid point 135 (47/60) ======================= q-point: ( 0.33 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 6.855 5.833 6.908) 11.346 0.888 ( 6.569 3.826 1.691) 7.788 0.964 ( 4.637 5.330 -2.252) 7.415 1.082 ( 5.502 4.521 -8.305) 10.940 1.260 ( -6.871 0.301 -0.301) 6.884 1.274 ( -6.032 0.081 -1.003) 6.116 1.307 ( -5.595 0.970 1.183) 5.801 1.359 ( -4.375 0.118 -3.123) 5.377 1.586 ( 0.419 2.731 3.499) 4.458 1.615 ( -0.067 1.747 1.791) 2.503 1.633 ( 2.074 -2.433 1.021) 3.356 1.642 ( 2.046 -0.381 0.260) 2.097 1.707 ( 6.544 -0.637 4.045) 7.719 1.751 ( 0.735 -0.998 -1.857) 2.233 1.777 ( 2.859 1.926 2.232) 4.107 1.817 ( 2.491 3.371 -0.779) 4.263 1.849 ( 3.495 1.606 1.504) 4.130 1.864 ( 0.090 4.338 0.701) 4.395 1.969 ( 0.890 3.386 0.652) 3.561 2.001 ( 2.134 0.900 -0.488) 2.367 2.029 ( -1.007 -2.890 0.407) 3.088 2.113 ( 4.996 0.498 -8.187) 9.604 2.237 ( -1.072 4.433 2.105) 5.024 2.254 ( -0.333 5.933 -0.124) 5.943 2.333 ( -5.002 -0.534 2.791) 5.753 2.388 ( -0.456 1.390 -2.653) 3.030 2.412 ( -2.316 3.734 0.320) 4.406 2.449 ( -4.093 0.235 -2.501) 4.802 2.696 ( 2.511 2.995 1.344) 4.133 2.722 ( 1.735 3.944 -1.299) 4.501 2.929 ( 0.008 -0.203 0.846) 0.870 2.947 ( -0.247 -0.247 -0.688) 0.772 2.970 ( 0.397 0.019 0.425) 0.582 2.985 ( 1.048 -1.202 -0.565) 1.692 3.098 ( -2.863 -1.604 2.035) 3.862 3.135 ( -3.736 -2.124 -0.986) 4.409 3.242 ( 1.514 -2.616 2.357) 3.833 3.300 ( 1.018 -1.360 -2.904) 3.365 3.321 ( -1.081 0.705 0.971) 1.615 3.343 ( -0.329 1.601 -0.591) 1.738 3.384 ( 1.496 3.419 1.210) 3.923 3.407 ( 1.247 2.830 -1.067) 3.272 3.444 ( -1.448 5.585 1.252) 5.904 3.470 ( -0.984 3.726 -1.254) 4.052 3.961 ( 11.219 -3.221 8.103) 14.209 4.124 ( 13.287 -4.588 -8.321) 16.335 4.383 ( -7.359 -6.010 13.089) 16.174 4.630 ( -8.619 -6.599 -12.526) 16.575 7.118 ( 2.721 -1.726 1.836) 3.708 7.146 ( 2.056 -1.958 -1.086) 3.040 7.226 ( 0.637 3.878 0.346) 3.945 7.233 ( 0.442 3.945 -0.343) 3.984 7.282 ( -0.416 2.452 0.393) 2.518 7.288 ( -0.504 2.408 -0.105) 2.462 7.397 ( 0.036 0.122 2.993) 2.995 7.447 ( -1.541 -0.836 -2.066) 2.710 10.491 ( 0.768 -0.827 0.565) 1.262 10.502 ( 0.646 -0.997 -0.672) 1.365 10.607 ( -0.601 -0.719 0.720) 1.181 10.627 ( -0.623 -0.959 -1.585) 1.955 10.655 ( -0.999 -2.341 0.020) 2.546 10.663 ( -1.117 -1.999 -0.518) 2.348 10.759 ( -0.890 -0.333 2.026) 2.238 10.783 ( 0.317 1.222 -0.387) 1.320 10.812 ( -0.657 2.069 0.424) 2.212 10.838 ( -2.805 2.117 -2.003) 4.045 10.839 ( -2.224 3.053 0.753) 3.851 10.857 ( -2.160 3.645 -1.038) 4.362 15.823 ( 0.275 -0.063 0.192) 0.342 15.826 ( 0.109 -0.124 -0.193) 0.254 15.867 ( 0.691 -0.385 0.218) 0.820 15.871 ( 0.534 -0.467 -0.185) 0.733 23.199 ( 2.721 -1.852 4.440) 5.526 23.272 ( 1.317 -2.185 -2.182) 3.357 23.399 ( -0.818 -2.914 2.309) 3.807 23.434 ( -1.119 -0.562 -1.031) 1.622 23.491 ( 0.596 3.964 0.132) 4.011 23.496 ( 0.245 3.778 -0.341) 3.801 23.621 ( -5.130 7.302 4.438) 9.966 23.727 ( -7.878 4.474 -6.441) 11.116 24.583 ( 6.006 -3.067 6.716) 9.518 24.672 ( 2.328 -4.315 1.931) 5.269 24.764 ( 7.147 -4.420 0.856) 8.447 24.914 ( 1.612 -5.064 -10.232) 11.530 ======================= Grid point 136 (48/60) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -4.925 3.446 0.031) 6.011 0.920 ( 4.925 3.446 0.031) 6.011 1.088 ( -5.811 3.845 2.770) 7.498 1.088 ( 5.811 3.845 2.770) 7.498 1.195 ( -2.880 2.534 -2.199) 4.422 1.195 ( 2.880 2.534 -2.199) 4.422 1.254 ( -4.873 0.605 -4.705) 6.800 1.254 ( 4.873 0.605 -4.705) 6.800 1.600 ( -0.872 2.472 3.271) 4.192 1.600 ( 0.872 2.472 3.271) 4.192 1.655 ( -0.510 -3.751 -0.571) 3.828 1.655 ( 0.510 -3.751 -0.571) 3.828 1.758 ( -0.157 -1.689 -1.394) 2.195 1.758 ( 0.157 -1.689 -1.394) 2.195 1.826 ( -1.065 3.465 1.350) 3.868 1.826 ( 1.065 3.465 1.350) 3.868 1.897 ( -1.239 4.765 -0.548) 4.953 1.897 ( 1.239 4.765 -0.548) 4.953 2.006 ( -0.330 -1.693 -0.119) 1.729 2.006 ( 0.330 -1.693 -0.119) 1.729 2.115 ( -10.857 1.239 8.213) 13.670 2.115 ( 10.857 1.239 8.213) 13.670 2.220 ( -2.311 3.502 -0.153) 4.198 2.220 ( 2.311 3.502 -0.153) 4.198 2.314 ( -5.614 1.484 -5.894) 8.274 2.314 ( 5.614 1.484 -5.894) 8.274 2.403 ( -0.307 3.605 -1.681) 3.989 2.403 ( 0.307 3.605 -1.681) 3.989 2.735 ( -0.803 3.780 0.372) 3.882 2.735 ( 0.803 3.780 0.372) 3.882 2.929 ( -0.541 0.793 -0.534) 1.098 2.929 ( 0.541 0.793 -0.534) 1.098 3.019 ( -2.263 -2.508 1.677) 3.772 3.019 ( 2.263 -2.508 1.677) 3.772 3.057 ( -2.751 -0.667 -1.092) 3.034 3.057 ( 2.751 -0.667 -1.092) 3.034 3.277 ( -1.941 -2.011 0.951) 2.952 3.277 ( 1.941 -2.011 0.951) 2.952 3.329 ( -0.949 0.579 -0.935) 1.452 3.329 ( 0.949 0.579 -0.935) 1.452 3.414 ( -1.436 5.114 1.320) 5.474 3.414 ( 1.436 5.114 1.320) 5.474 3.442 ( -1.669 2.843 -1.071) 3.467 3.442 ( 1.669 2.843 -1.071) 3.467 4.186 ( -9.915 -4.742 11.056) 15.590 4.186 ( 9.915 -4.742 11.056) 15.590 4.410 ( -12.127 -5.346 -10.777) 17.082 4.410 ( 12.127 -5.346 -10.777) 17.082 7.161 ( -0.974 -1.731 0.832) 2.153 7.161 ( 0.974 -1.731 0.832) 2.153 7.233 ( -0.137 2.843 -0.049) 2.846 7.233 ( 0.137 2.843 -0.049) 2.846 7.278 ( -0.208 4.207 0.195) 4.217 7.278 ( 0.208 4.207 0.195) 4.217 7.413 ( -1.489 -1.188 0.168) 1.912 7.413 ( 1.489 -1.188 0.168) 1.912 10.505 ( -0.438 -0.366 0.252) 0.624 10.505 ( 0.438 -0.366 0.252) 0.624 10.598 ( -0.662 -2.320 -0.695) 2.511 10.598 ( 0.662 -2.320 -0.695) 2.511 10.660 ( -0.295 -1.432 0.084) 1.464 10.660 ( 0.295 -1.432 0.084) 1.464 10.755 ( -1.645 -0.860 0.302) 1.881 10.755 ( 1.645 -0.860 0.302) 1.881 10.810 ( -1.097 2.722 0.483) 2.974 10.810 ( 1.097 2.722 0.483) 2.974 10.830 ( -0.613 3.942 -1.403) 4.229 10.830 ( 0.613 3.942 -1.403) 4.229 15.827 ( -0.094 -0.094 -0.000) 0.133 15.827 ( 0.094 -0.094 -0.000) 0.133 15.876 ( -0.103 -0.423 0.009) 0.435 15.876 ( 0.103 -0.423 0.009) 0.435 23.259 ( -2.536 -2.140 3.685) 4.959 23.259 ( 2.536 -2.140 3.685) 4.959 23.407 ( -1.343 -2.913 -1.233) 3.437 23.407 ( 1.343 -2.913 -1.233) 3.437 23.506 ( -0.457 5.667 -0.080) 5.686 23.506 ( 0.457 5.667 -0.080) 5.686 23.594 ( -3.683 5.715 -1.878) 7.054 23.594 ( 3.683 5.715 -1.878) 7.054 24.674 ( -2.304 -3.877 5.687) 7.258 24.674 ( 2.304 -3.877 5.687) 7.258 24.886 ( -4.071 -4.568 -5.884) 8.488 24.886 ( 4.071 -4.568 -5.884) 8.488 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 9.957 8.050) 12.804 0.903 ( 0.000 10.881 7.760) 13.364 0.998 ( 0.000 5.644 -8.455) 10.165 1.055 ( 0.000 7.068 -7.240) 10.118 1.377 ( 0.000 -2.451 1.381) 2.813 1.398 ( 0.000 0.439 -0.173) 0.472 1.415 ( 0.000 0.840 0.566) 1.013 1.418 ( 0.000 -1.527 0.164) 1.536 1.510 ( 0.000 3.887 8.374) 9.232 1.550 ( 0.000 -0.269 0.210) 0.341 1.557 ( 0.000 0.230 -1.007) 1.033 1.647 ( 0.000 4.122 5.540) 6.905 1.648 ( 0.000 1.059 -5.362) 5.466 1.733 ( 0.000 1.299 -2.174) 2.533 1.768 ( 0.000 -3.199 3.608) 4.821 1.831 ( 0.000 -2.409 -2.850) 3.731 1.852 ( 0.000 0.670 2.553) 2.639 1.912 ( 0.000 1.205 -3.802) 3.989 1.922 ( 0.000 1.003 2.355) 2.560 1.988 ( 0.000 1.925 -3.202) 3.736 2.066 ( 0.000 2.431 0.686) 2.526 2.106 ( 0.000 4.303 -4.440) 6.183 2.338 ( 0.000 -0.103 0.856) 0.862 2.377 ( 0.000 2.640 -2.103) 3.375 2.419 ( 0.000 5.514 0.484) 5.535 2.427 ( 0.000 4.022 0.044) 4.022 2.484 ( 0.000 1.731 2.677) 3.188 2.520 ( 0.000 -1.294 -1.111) 1.705 2.705 ( 0.000 3.257 -1.687) 3.668 2.715 ( 0.000 3.054 -3.184) 4.412 2.851 ( 0.000 -5.814 6.226) 8.519 2.964 ( 0.000 -3.798 -5.459) 6.651 2.992 ( 0.000 -1.719 2.771) 3.261 3.056 ( 0.000 -3.238 -3.656) 4.883 3.139 ( 0.000 1.398 1.395) 1.975 3.140 ( 0.000 0.923 0.761) 1.196 3.168 ( 0.000 0.619 1.889) 1.988 3.215 ( 0.000 -0.949 -2.722) 2.882 3.383 ( 0.000 0.658 1.256) 1.418 3.388 ( 0.000 0.319 0.627) 0.703 3.426 ( 0.000 5.045 -0.196) 5.049 3.438 ( 0.000 5.087 -1.554) 5.319 3.589 ( 0.000 4.939 0.862) 5.014 3.596 ( 0.000 5.901 -0.056) 5.902 3.637 ( 0.000 -0.670 2.969) 3.044 3.707 ( 0.000 -2.526 -4.112) 4.826 4.369 ( 0.000 -9.542 12.558) 15.772 4.583 ( 0.000 -10.067 -9.839) 14.077 7.013 ( 0.000 -0.246 0.879) 0.913 7.038 ( 0.000 -0.778 -1.696) 1.866 7.226 ( 0.000 -2.549 1.712) 3.070 7.251 ( 0.000 -2.598 -1.005) 2.785 7.329 ( 0.000 6.049 0.820) 6.104 7.345 ( 0.000 6.306 -0.843) 6.362 7.486 ( 0.000 3.499 2.150) 4.107 7.522 ( 0.000 2.387 -1.489) 2.813 10.448 ( 0.000 -0.432 -0.441) 0.617 10.452 ( 0.000 -0.612 -0.708) 0.936 10.590 ( 0.000 -0.618 -0.411) 0.743 10.591 ( 0.000 -0.544 -0.296) 0.619 10.702 ( 0.000 -1.293 0.139) 1.301 10.707 ( 0.000 -0.983 -0.466) 1.088 10.750 ( 0.000 -0.837 2.084) 2.246 10.788 ( 0.000 -0.348 -1.776) 1.809 10.955 ( 0.000 4.250 3.020) 5.213 10.968 ( 0.000 2.192 2.314) 3.187 11.006 ( 0.000 2.398 -1.657) 2.915 11.006 ( 0.000 4.767 -2.132) 5.222 15.816 ( 0.000 -0.137 0.292) 0.322 15.821 ( 0.000 -0.398 -0.216) 0.453 15.831 ( 0.000 -0.336 0.125) 0.359 15.834 ( 0.000 -0.607 -0.103) 0.616 23.091 ( 0.000 -1.812 2.959) 3.469 23.162 ( 0.000 -3.024 -4.204) 5.179 23.384 ( 0.000 -3.549 5.150) 6.255 23.459 ( 0.000 -2.854 -2.923) 4.085 23.587 ( 0.000 4.649 0.462) 4.672 23.594 ( 0.000 4.945 -0.236) 4.950 23.936 ( 0.000 1.763 1.261) 2.167 23.968 ( 0.000 0.977 -2.172) 2.382 24.300 ( 0.000 -4.979 5.836) 7.672 24.403 ( 0.000 -6.360 -4.769) 7.950 24.542 ( 0.000 -0.422 8.127) 8.138 24.712 ( 0.000 -0.144 -9.394) 9.395 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 3.224 10.307 6.791) 12.757 0.906 ( 2.004 9.552 7.990) 12.613 1.027 ( 2.220 6.461 -6.729) 9.589 1.078 ( 2.626 5.426 -8.193) 10.172 1.349 ( -2.478 -1.260 1.926) 3.381 1.374 ( -2.346 0.346 -0.836) 2.514 1.402 ( -2.148 0.175 -0.743) 2.279 1.408 ( -0.655 -1.421 -1.060) 1.890 1.532 ( -0.031 -1.815 1.307) 2.237 1.550 ( 0.048 -3.971 -0.685) 4.030 1.586 ( 3.699 3.040 5.471) 7.270 1.679 ( 2.312 4.086 -0.011) 4.694 1.684 ( 2.209 1.208 0.370) 2.545 1.717 ( -0.641 1.043 0.769) 1.446 1.785 ( 0.641 -0.455 2.938) 3.041 1.827 ( 0.556 2.611 0.975) 2.842 1.841 ( 0.902 1.014 0.304) 1.391 1.893 ( 0.792 0.291 -2.444) 2.585 1.965 ( 1.530 -0.058 0.954) 1.804 2.028 ( 2.643 2.773 -2.662) 4.665 2.050 ( -0.872 2.328 0.572) 2.551 2.105 ( 0.526 4.322 -6.742) 8.026 2.351 ( 0.312 0.647 1.376) 1.552 2.377 ( -1.859 1.640 0.839) 2.617 2.389 ( 0.119 3.825 -1.304) 4.043 2.409 ( -1.444 3.994 -0.939) 4.350 2.502 ( 0.357 1.949 1.636) 2.570 2.516 ( -0.401 1.385 0.368) 1.488 2.711 ( 1.347 2.821 0.354) 3.147 2.754 ( 2.760 3.363 -3.773) 5.759 2.859 ( 1.271 -3.948 3.945) 5.725 2.922 ( -1.675 -2.703 -1.833) 3.670 3.005 ( -0.159 -0.153 -0.638) 0.675 3.018 ( -2.233 0.234 -1.100) 2.500 3.126 ( -1.458 0.097 0.950) 1.743 3.151 ( -0.632 -1.591 -1.329) 2.167 3.169 ( 0.454 -0.175 3.263) 3.299 3.230 ( 1.351 -1.552 -2.804) 3.478 3.358 ( -1.798 0.384 0.629) 1.943 3.371 ( -1.234 0.372 -0.597) 1.420 3.453 ( 1.584 5.155 0.397) 5.407 3.464 ( 1.482 4.947 -0.691) 5.210 3.575 ( -0.952 4.042 0.936) 4.257 3.584 ( -0.907 4.322 -0.053) 4.416 3.719 ( 6.986 -0.121 3.394) 7.768 3.797 ( 8.468 -3.240 -4.714) 10.219 4.333 ( -3.200 -8.603 13.518) 16.340 4.564 ( -2.357 -9.882 -10.758) 14.796 7.036 ( 2.032 -0.653 1.012) 2.362 7.061 ( 2.013 -1.186 -1.537) 2.797 7.236 ( 0.680 -2.779 1.636) 3.296 7.257 ( 0.412 -2.506 -0.733) 2.643 7.334 ( 0.541 5.920 0.864) 6.007 7.350 ( 0.538 6.098 -0.833) 6.178 7.475 ( -0.957 3.696 1.658) 4.163 7.508 ( -1.356 2.546 -1.453) 3.231 10.455 ( 0.713 -0.523 -0.080) 0.888 10.462 ( 0.867 -0.693 -0.783) 1.359 10.595 ( 0.353 -0.516 0.041) 0.627 10.598 ( 0.700 -0.706 -0.465) 1.098 10.678 ( -2.465 -0.961 0.352) 2.669 10.688 ( -2.248 -0.517 -0.632) 2.392 10.744 ( -0.097 -1.278 2.090) 2.452 10.784 ( -0.160 -0.762 -1.961) 2.110 10.916 ( -3.411 2.490 2.399) 4.858 10.942 ( -2.777 1.272 1.471) 3.390 10.966 ( -2.126 5.217 -1.123) 5.745 10.989 ( -1.793 4.692 -1.713) 5.307 15.817 ( 0.151 -0.063 0.220) 0.274 15.821 ( 0.068 -0.261 -0.161) 0.314 15.841 ( 0.775 -0.457 0.148) 0.912 15.844 ( 0.763 -0.664 -0.110) 1.017 23.111 ( 1.808 -1.693 3.122) 3.985 23.183 ( 1.839 -2.745 -4.125) 5.285 23.365 ( -1.657 -3.642 4.887) 6.316 23.437 ( -1.976 -3.186 -2.735) 4.641 23.573 ( -0.904 4.056 0.268) 4.165 23.578 ( -0.658 4.089 -0.267) 4.150 23.888 ( -4.309 5.353 2.873) 7.448 23.955 ( -2.420 4.954 -4.248) 6.960 24.366 ( 5.732 -6.037 5.356) 9.899 24.469 ( 5.866 -6.919 -5.226) 10.469 24.563 ( 2.384 -1.349 9.943) 10.313 24.751 ( 3.037 -2.701 -9.696) 10.514 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 3.674 9.114 5.799) 11.410 1.007 ( 4.887 7.145 1.526) 8.790 1.077 ( 3.198 5.604 -0.686) 6.489 1.163 ( 4.865 2.910 -6.380) 8.535 1.280 ( -3.887 2.454 0.776) 4.662 1.300 ( -4.701 2.078 -1.404) 5.328 1.338 ( -3.637 1.652 -0.524) 4.029 1.369 ( -3.122 0.596 -2.699) 4.170 1.541 ( 0.705 -4.467 0.085) 4.523 1.546 ( 0.178 -4.915 -0.545) 4.948 1.626 ( 1.119 -0.223 3.785) 3.953 1.683 ( -1.205 1.677 0.821) 2.222 1.704 ( 0.144 -2.358 -0.959) 2.550 1.735 ( 0.679 0.958 -1.727) 2.088 1.810 ( 1.473 -1.436 3.367) 3.945 1.871 ( -0.798 -0.889 -2.841) 3.082 1.905 ( 4.132 2.973 1.785) 5.394 1.943 ( 5.923 4.437 -0.077) 7.401 1.998 ( 3.598 3.332 5.582) 7.430 2.038 ( -0.314 2.461 1.017) 2.681 2.063 ( 0.102 4.444 -0.799) 4.517 2.163 ( 5.137 4.362 -8.370) 10.746 2.314 ( -3.767 1.583 3.171) 5.171 2.345 ( -1.941 1.797 0.367) 2.670 2.375 ( -0.429 5.656 0.280) 5.679 2.400 ( -0.435 1.863 -1.916) 2.708 2.492 ( -0.980 3.562 -0.367) 3.712 2.497 ( -1.264 3.027 -0.542) 3.325 2.762 ( 3.214 3.072 2.121) 4.926 2.810 ( 2.336 3.949 -2.589) 5.269 2.907 ( 2.846 -1.345 1.214) 3.374 2.926 ( 1.921 -0.983 -0.443) 2.203 2.981 ( -1.132 0.535 -0.140) 1.260 2.987 ( -1.436 1.035 -1.104) 2.086 3.082 ( -2.385 -0.196 1.037) 2.608 3.111 ( -2.735 -0.467 -1.522) 3.165 3.191 ( 1.480 -2.106 2.859) 3.847 3.254 ( 0.592 -2.675 -3.461) 4.414 3.313 ( -2.114 -0.945 1.436) 2.725 3.340 ( -1.719 -1.217 -1.070) 2.363 3.485 ( 1.559 4.913 0.293) 5.163 3.492 ( 1.348 4.690 -0.339) 4.892 3.552 ( -1.347 4.191 0.602) 4.443 3.558 ( -1.463 4.149 -0.094) 4.401 3.897 ( 9.502 -1.995 6.283) 11.565 4.019 ( 11.752 -4.751 -6.046) 14.044 4.244 ( -5.244 -6.605 12.466) 15.050 4.468 ( -7.084 -8.543 -10.683) 15.404 7.086 ( 2.517 -1.267 1.203) 3.064 7.108 ( 2.128 -1.632 -1.067) 2.886 7.241 ( -0.289 -2.975 1.329) 3.271 7.257 ( -0.624 -2.400 -0.477) 2.525 7.353 ( 1.323 5.477 0.935) 5.711 7.368 ( 1.077 5.649 -0.606) 5.783 7.452 ( -1.188 3.997 0.664) 4.222 7.472 ( -1.921 3.151 -1.132) 3.860 10.475 ( 1.124 -0.574 0.395) 1.322 10.484 ( 1.186 -0.658 -0.516) 1.451 10.586 ( -2.228 -1.062 1.173) 2.733 10.601 ( -2.099 -1.198 -0.524) 2.473 10.633 ( 0.317 -0.221 -0.297) 0.488 10.639 ( -0.801 -0.421 -0.839) 1.234 10.738 ( -0.971 -1.373 2.028) 2.635 10.772 ( -1.591 -1.539 -1.374) 2.606 10.863 ( -1.093 2.647 1.022) 3.040 10.879 ( -1.533 2.514 -0.587) 3.002 10.935 ( -1.412 4.451 -0.234) 4.675 10.943 ( -2.368 4.182 -0.891) 4.888 15.822 ( 0.269 0.009 0.120) 0.295 15.824 ( 0.177 -0.099 -0.077) 0.217 15.857 ( 0.628 -0.588 0.109) 0.867 15.859 ( 0.561 -0.710 -0.062) 0.907 23.161 ( 2.835 -1.610 3.439) 4.739 23.224 ( 1.570 -2.284 -2.336) 3.625 23.329 ( -1.333 -3.699 2.822) 4.840 23.387 ( -2.645 -3.670 -2.561) 5.199 23.580 ( 1.747 4.295 0.327) 4.649 23.591 ( 2.348 4.570 -0.876) 5.212 23.778 ( -5.730 7.276 3.108) 9.769 23.853 ( -6.812 6.813 -4.914) 10.815 24.499 ( 6.140 -4.971 5.528) 9.642 24.576 ( 3.014 -4.246 1.617) 5.452 24.658 ( 6.470 -5.021 2.428) 8.542 24.800 ( 0.955 -5.342 -8.366) 9.972 ======================= Grid point 143 (52/60) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -3.397 5.935 1.559) 7.014 1.021 ( 3.397 5.935 1.559) 7.014 1.179 ( -5.789 4.761 2.501) 7.902 1.179 ( 5.789 4.761 2.501) 7.902 1.239 ( -1.754 2.149 -2.449) 3.700 1.239 ( 1.754 2.149 -2.449) 3.700 1.301 ( -2.295 3.505 -4.018) 5.805 1.301 ( 2.295 3.505 -4.018) 5.805 1.551 ( -0.064 -5.426 -0.349) 5.438 1.551 ( 0.064 -5.426 -0.349) 5.438 1.653 ( -1.455 1.353 3.137) 3.714 1.653 ( 1.455 1.353 3.137) 3.714 1.725 ( -1.342 -1.458 -1.896) 2.742 1.725 ( 1.342 -1.458 -1.896) 2.742 1.835 ( -1.572 -3.855 -0.034) 4.163 1.835 ( 1.572 -3.855 -0.034) 4.163 1.987 ( -2.871 2.974 1.017) 4.257 1.987 ( 2.871 2.974 1.017) 4.257 2.022 ( -2.755 4.321 -1.642) 5.381 2.022 ( 2.755 4.321 -1.642) 5.381 2.182 ( -8.279 5.115 5.199) 11.033 2.182 ( 8.279 5.115 5.199) 11.033 2.279 ( -4.411 2.572 -2.922) 5.883 2.279 ( 4.411 2.572 -2.922) 5.883 2.383 ( -0.905 4.415 -0.305) 4.517 2.383 ( 0.905 4.415 -0.305) 4.517 2.480 ( -0.216 3.326 -1.431) 3.627 2.480 ( 0.216 3.326 -1.431) 3.627 2.821 ( -1.762 4.042 1.014) 4.524 2.821 ( 1.762 4.042 1.014) 4.524 2.946 ( -1.318 0.676 -1.385) 2.028 2.946 ( 1.318 0.676 -1.385) 2.028 2.979 ( -0.846 -0.903 0.810) 1.479 2.979 ( 0.846 -0.903 0.810) 1.479 3.057 ( -1.329 0.481 -0.810) 1.629 3.057 ( 1.329 0.481 -0.810) 1.629 3.230 ( -2.256 -2.471 0.567) 3.394 3.230 ( 2.256 -2.471 0.567) 3.394 3.307 ( -1.212 -2.203 -0.782) 2.633 3.307 ( 1.212 -2.203 -0.782) 2.633 3.514 ( -0.573 3.921 0.152) 3.966 3.514 ( 0.573 3.921 0.152) 3.966 3.529 ( -0.595 4.790 0.104) 4.828 3.529 ( 0.595 4.790 0.104) 4.828 4.082 ( -7.693 -4.359 9.458) 12.948 4.082 ( 7.693 -4.359 9.458) 12.948 4.281 ( -10.374 -6.473 -8.335) 14.798 4.281 ( 10.374 -6.473 -8.335) 14.798 7.126 ( -0.828 -1.552 0.573) 1.850 7.126 ( 0.828 -1.552 0.573) 1.850 7.239 ( -0.604 -2.731 -0.023) 2.797 7.239 ( 0.604 -2.731 -0.023) 2.797 7.379 ( -0.589 5.262 0.301) 5.304 7.379 ( 0.589 5.262 0.301) 5.304 7.440 ( -0.637 3.866 -0.367) 3.935 7.441 ( 0.637 3.866 -0.367) 3.935 10.498 ( -0.626 -0.179 0.510) 0.827 10.498 ( 0.626 -0.179 0.510) 0.827 10.553 ( -0.828 -1.763 -0.270) 1.967 10.553 ( 0.828 -1.763 -0.270) 1.967 10.646 ( -0.217 -0.183 -0.091) 0.298 10.646 ( 0.217 -0.183 -0.091) 0.298 10.730 ( -1.256 -1.435 0.126) 1.911 10.730 ( 1.256 -1.435 0.126) 1.911 10.869 ( -0.804 3.111 0.121) 3.215 10.869 ( 0.804 3.111 0.121) 3.215 10.912 ( -0.178 3.495 -0.781) 3.585 10.912 ( 0.178 3.495 -0.781) 3.585 15.826 ( -0.047 -0.004 0.019) 0.051 15.826 ( 0.047 -0.004 0.019) 0.051 15.864 ( -0.045 -0.679 0.023) 0.681 15.864 ( 0.045 -0.679 0.023) 0.681 23.217 ( -2.185 -1.805 2.794) 3.980 23.217 ( 2.185 -1.805 2.794) 3.980 23.337 ( -1.955 -3.839 -1.999) 4.749 23.337 ( 1.955 -3.839 -1.999) 4.749 23.633 ( -1.969 6.118 0.229) 6.431 23.633 ( 1.969 6.118 0.229) 6.431 23.720 ( -3.909 5.704 -1.603) 7.098 23.720 ( 3.909 5.704 -1.603) 7.098 24.587 ( -1.979 -3.753 5.587) 7.016 24.587 ( 1.979 -3.753 5.587) 7.016 24.772 ( -3.734 -5.902 -4.896) 8.529 24.772 ( 3.734 -5.902 -4.896) 8.529 ======================= Grid point 147 (53/60) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 9.394 4.381) 10.365 1.113 ( 0.000 7.731 2.248) 8.052 1.129 ( 0.000 7.311 -2.601) 7.760 1.192 ( 0.000 5.074 -3.673) 6.264 1.332 ( 0.000 -1.459 3.090) 3.417 1.393 ( 0.000 -0.149 0.003) 0.149 1.394 ( 0.000 0.370 -2.879) 2.902 1.406 ( 0.000 -0.409 -1.589) 1.641 1.492 ( 0.000 -2.027 2.608) 3.303 1.542 ( 0.000 -2.290 -2.499) 3.390 1.575 ( 0.000 -1.936 2.879) 3.470 1.643 ( 0.000 -3.525 -4.087) 5.397 1.695 ( 0.000 0.629 3.308) 3.367 1.713 ( 0.000 -0.317 1.099) 1.144 1.725 ( 0.000 -0.223 3.532) 3.539 1.777 ( 0.000 -2.577 -1.855) 3.175 1.876 ( 0.000 0.709 -1.113) 1.320 1.905 ( 0.000 -0.770 -3.593) 3.675 2.017 ( 0.000 7.816 3.301) 8.485 2.080 ( 0.000 5.389 -1.774) 5.674 2.109 ( 0.000 1.818 1.840) 2.587 2.158 ( 0.000 0.535 -4.168) 4.202 2.288 ( 0.000 -3.771 2.277) 4.405 2.349 ( 0.000 -4.993 -3.074) 5.864 2.509 ( 0.000 3.363 1.564) 3.709 2.514 ( 0.000 3.335 0.562) 3.382 2.548 ( 0.000 3.818 1.048) 3.959 2.551 ( 0.000 3.793 0.329) 3.807 2.741 ( 0.000 -3.721 4.144) 5.569 2.759 ( 0.000 1.624 -1.912) 2.509 2.768 ( 0.000 1.473 -3.029) 3.368 2.845 ( 0.000 -6.449 -6.205) 8.949 2.958 ( 0.000 -1.301 1.277) 1.823 2.990 ( 0.000 -2.820 -1.985) 3.449 3.183 ( 0.000 1.236 1.861) 2.234 3.186 ( 0.000 2.518 0.770) 2.633 3.193 ( 0.000 2.295 0.235) 2.307 3.207 ( 0.000 -0.094 -0.604) 0.612 3.394 ( 0.000 0.397 1.225) 1.288 3.395 ( 0.000 0.303 1.054) 1.096 3.489 ( 0.000 1.462 -0.627) 1.591 3.509 ( 0.000 1.329 -2.860) 3.154 3.627 ( 0.000 -0.108 1.285) 1.290 3.659 ( 0.000 -1.588 -2.027) 2.575 3.724 ( 0.000 7.533 2.176) 7.841 3.749 ( 0.000 8.224 -0.444) 8.235 4.199 ( 0.000 -6.407 10.422) 12.234 4.367 ( 0.000 -10.787 -7.224) 12.982 7.018 ( 0.000 0.601 0.295) 0.669 7.032 ( 0.000 0.013 -1.076) 1.076 7.174 ( 0.000 -2.076 1.100) 2.349 7.192 ( 0.000 -2.730 -0.769) 2.836 7.447 ( 0.000 5.002 1.013) 5.104 7.467 ( 0.000 5.067 -1.028) 5.170 7.536 ( 0.000 1.147 1.419) 1.825 7.559 ( 0.000 0.815 -0.814) 1.152 10.447 ( 0.000 0.178 -0.604) 0.630 10.447 ( 0.000 0.084 -0.556) 0.562 10.580 ( 0.000 -0.325 -0.251) 0.411 10.582 ( 0.000 -0.301 -0.275) 0.407 10.685 ( 0.000 -0.319 0.533) 0.621 10.695 ( 0.000 -0.374 -0.346) 0.510 10.734 ( 0.000 -0.417 1.407) 1.467 10.768 ( 0.000 -1.347 -1.923) 2.348 10.988 ( 0.000 0.605 1.753) 1.854 10.989 ( 0.000 0.608 1.517) 1.634 11.094 ( 0.000 3.998 -0.259) 4.007 11.104 ( 0.000 3.595 -1.125) 3.767 15.810 ( 0.000 -0.393 -0.008) 0.393 15.811 ( 0.000 -0.480 -0.052) 0.483 15.826 ( 0.000 -0.087 0.185) 0.204 15.828 ( 0.000 -0.075 0.017) 0.077 23.075 ( 0.000 0.143 0.976) 0.987 23.114 ( 0.000 -1.678 -2.881) 3.334 23.311 ( 0.000 -2.869 3.663) 4.653 23.369 ( 0.000 -5.011 -2.522) 5.610 23.675 ( 0.000 3.518 0.763) 3.600 23.683 ( 0.000 3.319 -0.012) 3.319 23.968 ( 0.000 1.513 1.184) 1.921 23.991 ( 0.000 1.115 -1.275) 1.694 24.203 ( 0.000 -3.745 3.561) 5.168 24.270 ( 0.000 -6.059 -3.324) 6.911 24.578 ( 0.000 3.247 6.063) 6.878 24.697 ( 0.000 -1.476 -6.231) 6.403 ======================= Grid point 148 (54/60) ======================= q-point: ( 0.17 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 3.243 8.356 4.018) 9.823 1.115 ( -0.022 9.597 4.500) 10.600 1.154 ( 2.726 5.508 -3.975) 7.319 1.192 ( -0.260 4.993 -3.315) 5.999 1.320 ( -0.334 -1.891 2.102) 2.847 1.367 ( -0.929 -1.155 -2.169) 2.627 1.395 ( -0.736 1.513 -0.301) 1.710 1.413 ( -0.768 1.838 -2.179) 2.952 1.464 ( -1.787 -4.142 1.429) 4.732 1.492 ( -1.989 -2.808 -1.277) 3.671 1.600 ( 0.855 -2.311 1.331) 2.801 1.639 ( -0.074 -3.761 -2.364) 4.443 1.688 ( -1.023 -2.624 1.619) 3.248 1.701 ( -0.156 -2.169 0.580) 2.251 1.799 ( 2.280 1.883 2.587) 3.929 1.855 ( 6.754 2.326 0.153) 7.145 1.872 ( -0.612 -0.859 -0.720) 1.277 1.930 ( 3.486 1.616 -4.291) 5.760 2.028 ( 1.027 6.433 4.291) 7.801 2.078 ( -1.559 1.878 0.273) 2.456 2.113 ( 1.866 3.777 0.530) 4.246 2.174 ( 2.316 2.111 -4.956) 5.864 2.315 ( 1.630 -2.800 0.122) 3.242 2.329 ( -0.511 -4.594 -1.067) 4.744 2.497 ( -0.743 4.170 1.341) 4.443 2.506 ( -1.116 3.967 0.473) 4.148 2.554 ( 0.272 3.178 0.604) 3.246 2.559 ( 0.442 2.442 0.258) 2.495 2.747 ( 1.610 0.135 1.416) 2.149 2.793 ( 2.893 -1.181 -1.145) 3.328 2.811 ( 3.230 0.871 -1.568) 3.695 2.861 ( 1.765 -2.725 -3.524) 4.791 2.978 ( 1.259 -1.712 0.425) 2.167 2.997 ( 0.351 -2.040 -1.323) 2.457 3.146 ( -3.362 1.503 0.708) 3.750 3.155 ( -2.909 1.165 -0.132) 3.136 3.181 ( -0.276 1.087 2.076) 2.360 3.209 ( 0.087 -0.516 -0.799) 0.955 3.366 ( -2.568 0.438 0.466) 2.646 3.374 ( -2.115 0.060 -0.195) 2.125 3.524 ( 2.498 1.460 -0.119) 2.896 3.535 ( 1.606 1.576 -1.395) 2.647 3.619 ( -0.559 0.728 1.134) 1.459 3.641 ( -1.210 0.480 -0.996) 1.639 3.792 ( 6.176 4.265 0.312) 7.512 3.796 ( 4.492 6.144 0.134) 7.612 4.183 ( -1.483 -5.440 10.701) 12.096 4.356 ( -1.434 -10.268 -7.431) 12.756 7.034 ( 1.374 0.290 0.329) 1.442 7.047 ( 1.390 -0.304 -1.016) 1.749 7.179 ( 0.258 -2.279 1.172) 2.576 7.195 ( 0.195 -2.880 -0.618) 2.952 7.450 ( 0.362 4.937 0.948) 5.040 7.469 ( 0.242 4.941 -0.999) 5.047 7.531 ( -0.450 1.408 1.022) 1.797 7.550 ( -0.769 1.112 -0.795) 1.569 10.452 ( 0.563 0.107 -0.252) 0.626 10.455 ( 0.661 -0.069 -0.577) 0.880 10.586 ( 0.495 -0.393 -0.147) 0.649 10.586 ( 0.338 -0.292 -0.008) 0.446 10.670 ( -1.828 0.217 0.882) 2.042 10.690 ( -1.961 0.769 -1.132) 2.391 10.714 ( -0.392 -1.566 2.038) 2.600 10.755 ( -0.803 -1.830 -2.124) 2.917 10.952 ( -2.695 1.245 1.571) 3.359 10.961 ( -2.440 0.729 0.871) 2.691 11.066 ( -2.356 3.743 -0.136) 4.425 11.076 ( -2.465 3.220 -1.029) 4.184 15.814 ( 0.383 -0.225 0.022) 0.445 15.815 ( 0.392 -0.212 -0.044) 0.448 15.833 ( 0.530 -0.306 0.156) 0.632 15.834 ( 0.514 -0.260 0.006) 0.576 23.093 ( 1.708 0.006 1.210) 2.093 23.135 ( 1.910 -1.829 -2.961) 3.970 23.294 ( -1.391 -2.644 3.356) 4.493 23.348 ( -1.835 -4.675 -2.237) 5.498 23.644 ( -1.556 2.592 0.196) 3.029 23.648 ( -1.419 2.461 -0.278) 2.855 23.990 ( -0.513 4.876 3.659) 6.118 24.066 ( 0.891 5.515 -4.320) 7.062 24.228 ( 5.400 -6.748 4.959) 9.964 24.321 ( 5.947 -7.094 -4.601) 10.337 24.582 ( 0.659 2.574 6.743) 7.247 24.702 ( 0.459 -2.391 -5.764) 6.257 ======================= Grid point 149 (55/60) ======================= q-point: ( 0.33 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.870 7.917 3.957) 8.894 1.156 ( 2.311 6.769 1.491) 7.306 1.185 ( 1.291 4.476 0.631) 4.701 1.226 ( 3.751 4.038 -2.555) 6.075 1.330 ( 0.886 -0.408 -0.509) 1.100 1.354 ( -0.671 1.080 -1.624) 2.063 1.360 ( -2.799 0.867 -0.933) 3.075 1.375 ( -2.041 2.728 -1.361) 3.669 1.450 ( 0.049 -3.185 -0.484) 3.222 1.467 ( -0.734 -2.622 -1.787) 3.257 1.617 ( 1.321 -1.720 1.414) 2.589 1.641 ( 0.596 -4.412 -0.981) 4.558 1.664 ( -1.138 -3.517 1.378) 3.945 1.696 ( 0.055 -2.950 -1.979) 3.553 1.785 ( -3.126 0.287 1.717) 3.578 1.821 ( -4.089 -1.944 -1.595) 4.800 1.981 ( 4.259 3.579 0.961) 5.645 2.015 ( 3.428 3.600 -2.276) 5.467 2.066 ( 1.903 0.443 1.998) 2.795 2.082 ( 2.241 1.889 0.834) 3.047 2.180 ( 5.009 6.102 2.639) 8.325 2.252 ( 4.579 3.466 -3.864) 6.922 2.319 ( 0.032 -0.240 1.250) 1.273 2.356 ( 0.826 -0.952 -2.348) 2.665 2.476 ( -1.027 3.890 1.052) 4.159 2.483 ( -0.852 4.369 0.335) 4.464 2.547 ( -1.061 2.095 -0.275) 2.365 2.552 ( -1.109 2.471 -0.617) 2.778 2.809 ( 3.916 1.526 2.124) 4.709 2.861 ( 3.178 0.829 -2.445) 4.094 2.889 ( 4.038 -0.586 0.181) 4.084 2.914 ( 2.886 -0.692 -1.651) 3.396 2.992 ( -0.340 0.297 0.236) 0.509 2.997 ( 0.020 -0.178 -0.577) 0.604 3.076 ( -2.766 -0.218 0.845) 2.901 3.098 ( -2.318 -0.924 -1.335) 2.830 3.175 ( -0.066 0.523 2.112) 2.177 3.210 ( -0.066 -1.303 -1.434) 1.938 3.296 ( -3.763 -0.507 0.747) 3.870 3.312 ( -3.496 -1.182 -0.701) 3.756 3.558 ( 0.822 2.071 0.072) 2.229 3.564 ( 1.257 2.085 -0.491) 2.483 3.606 ( -0.771 1.185 0.730) 1.591 3.617 ( -1.129 1.301 -0.290) 1.747 3.915 ( 6.578 3.550 2.719) 7.954 3.963 ( 9.250 -0.382 -2.227) 9.522 4.138 ( -2.833 -3.290 9.375) 10.332 4.294 ( -4.715 -8.201 -6.839) 11.673 7.070 ( 2.004 -0.253 0.534) 2.089 7.083 ( 1.931 -0.761 -0.849) 2.242 7.175 ( -0.694 -2.719 1.122) 3.022 7.190 ( -0.864 -3.196 -0.492) 3.347 7.463 ( 0.821 4.630 0.723) 4.758 7.477 ( 0.451 4.441 -0.734) 4.524 7.520 ( -0.517 2.210 0.281) 2.287 7.531 ( -0.905 1.892 -0.694) 2.209 10.469 ( 1.123 -0.002 0.276) 1.156 10.475 ( 1.326 -0.234 -0.306) 1.381 10.572 ( -2.682 -0.320 1.265) 2.982 10.581 ( -2.110 -0.706 0.263) 2.240 10.635 ( 0.022 0.366 -0.250) 0.444 10.641 ( -0.586 0.481 -0.827) 1.122 10.711 ( -0.753 -1.040 1.289) 1.819 10.736 ( -1.522 -1.765 -1.169) 2.608 10.911 ( -0.537 1.919 0.808) 2.150 10.922 ( -0.421 1.519 -0.403) 1.627 11.009 ( -2.991 2.674 -0.165) 4.015 11.014 ( -3.195 2.512 -0.702) 4.124 15.823 ( 0.399 0.089 0.049) 0.411 15.824 ( 0.380 0.139 -0.009) 0.405 15.844 ( 0.473 -0.615 0.093) 0.781 15.845 ( 0.435 -0.557 0.002) 0.707 23.140 ( 2.644 -0.266 1.663) 3.135 23.182 ( 2.255 -1.799 -2.400) 3.753 23.262 ( -1.586 -2.400 2.276) 3.668 23.304 ( -2.264 -3.899 -1.915) 4.899 23.653 ( 2.675 2.622 0.212) 3.751 23.664 ( 3.255 2.312 -0.941) 4.102 23.904 ( -6.711 4.916 2.783) 8.772 23.965 ( -8.113 3.297 -3.694) 9.504 24.410 ( 9.125 -2.631 4.206) 10.386 24.488 ( 8.152 -4.578 -3.515) 9.988 24.604 ( 1.140 0.123 5.919) 6.029 24.707 ( -0.509 -3.792 -4.642) 6.016 ======================= Grid point 150 (56/60) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -1.345 5.665 1.999) 6.156 1.143 ( 1.345 5.665 1.999) 6.156 1.264 ( -3.229 3.194 1.683) 4.844 1.264 ( 3.229 3.194 1.683) 4.844 1.317 ( -2.378 4.788 -1.983) 5.702 1.317 ( 2.378 4.788 -1.983) 5.702 1.348 ( -0.533 0.023 -2.414) 2.472 1.348 ( 0.533 0.023 -2.414) 2.472 1.456 ( -0.448 -2.234 -1.149) 2.552 1.456 ( 0.448 -2.234 -1.149) 2.552 1.641 ( -0.861 -4.027 0.998) 4.237 1.641 ( 0.861 -4.027 0.998) 4.237 1.691 ( -3.288 -1.151 -0.324) 3.499 1.691 ( 3.288 -1.151 -0.324) 3.499 1.739 ( -2.519 -3.316 -1.383) 4.388 1.739 ( 2.519 -3.316 -1.383) 4.388 2.044 ( -1.480 2.627 1.083) 3.203 2.044 ( 1.480 2.627 1.083) 3.203 2.095 ( -1.115 1.753 0.038) 2.078 2.095 ( 1.115 1.753 0.038) 2.078 2.288 ( -3.841 4.316 2.150) 6.164 2.288 ( 3.841 4.316 2.150) 6.164 2.336 ( -2.856 2.513 -2.621) 4.620 2.336 ( 2.856 2.513 -2.621) 4.620 2.470 ( -0.350 3.999 0.644) 4.066 2.470 ( 0.350 3.999 0.644) 4.066 2.530 ( -0.281 1.546 -1.078) 1.905 2.530 ( 0.281 1.546 -1.078) 1.905 2.880 ( -2.153 1.603 1.171) 2.929 2.880 ( 2.153 1.603 1.171) 2.929 2.945 ( -0.884 -1.064 -1.731) 2.216 2.945 ( 0.884 -1.064 -1.731) 2.216 2.990 ( -0.437 1.837 0.229) 1.903 2.990 ( 0.437 1.837 0.229) 1.903 3.059 ( -1.242 -0.700 -0.524) 1.519 3.059 ( 1.242 -0.700 -0.524) 1.519 3.194 ( -1.842 -0.468 0.431) 1.948 3.194 ( 1.842 -0.468 0.431) 1.948 3.255 ( -1.115 -2.526 -0.139) 2.765 3.255 ( 1.115 -2.526 -0.139) 2.765 3.574 ( -0.506 1.985 0.160) 2.055 3.574 ( 0.506 1.985 0.160) 2.055 3.598 ( -0.512 1.567 -0.068) 1.650 3.598 ( 0.512 1.567 -0.068) 1.650 4.039 ( -4.682 0.320 5.846) 7.496 4.039 ( 4.682 0.320 5.846) 7.496 4.163 ( -7.491 -4.854 -4.389) 9.946 4.163 ( 7.491 -4.854 -4.389) 9.946 7.104 ( -0.662 -0.416 0.280) 0.831 7.104 ( 0.662 -0.416 0.280) 0.831 7.167 ( -0.690 -3.428 -0.073) 3.497 7.167 ( 0.690 -3.428 -0.073) 3.497 7.479 ( -0.497 4.118 0.149) 4.151 7.479 ( 0.497 4.118 0.149) 4.151 7.517 ( -0.364 2.656 -0.440) 2.716 7.517 ( 0.364 2.656 -0.440) 2.716 10.500 ( -1.027 0.324 0.676) 1.271 10.500 ( 1.027 0.324 0.676) 1.271 10.526 ( -1.218 -0.968 0.145) 1.563 10.526 ( 1.218 -0.968 0.145) 1.563 10.651 ( -0.385 0.630 -0.158) 0.755 10.651 ( 0.385 0.630 -0.158) 0.755 10.699 ( -0.979 -1.492 0.037) 1.786 10.699 ( 0.979 -1.492 0.037) 1.786 10.930 ( -0.942 2.629 -0.120) 2.795 10.930 ( 0.942 2.629 -0.120) 2.795 10.964 ( -0.627 1.406 -0.521) 1.625 10.964 ( 0.627 1.406 -0.521) 1.625 15.828 ( -0.017 0.256 0.034) 0.259 15.828 ( 0.017 0.256 0.034) 0.259 15.850 ( -0.024 -0.714 0.032) 0.715 15.850 ( 0.024 -0.714 0.032) 0.715 23.192 ( -1.869 -0.459 1.492) 2.435 23.192 ( 1.869 -0.459 1.492) 2.435 23.259 ( -1.796 -3.490 -1.582) 4.232 23.259 ( 1.796 -3.490 -1.582) 4.232 23.741 ( -3.266 4.140 0.214) 5.278 23.741 ( 3.266 4.140 0.214) 5.278 23.801 ( -4.622 1.899 -1.356) 5.178 23.801 ( 4.622 1.899 -1.356) 5.178 24.546 ( -3.256 -0.043 3.990) 5.150 24.546 ( 3.256 -0.043 3.990) 5.150 24.661 ( -4.017 -4.775 -2.787) 6.834 24.661 ( 4.017 -4.775 -2.787) 6.834 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 -3.391 1.688) 3.788 1.182 ( 0.000 3.391 1.688) 3.788 1.217 ( 0.000 -2.221 -1.765) 2.837 1.217 ( 0.000 2.221 -1.765) 2.837 1.359 ( 0.000 -3.346 3.285) 4.689 1.359 ( 0.000 3.346 3.285) 4.689 1.422 ( 0.000 -1.630 -0.843) 1.835 1.422 ( 0.000 1.630 -0.843) 1.835 1.494 ( 0.000 -1.067 -1.728) 2.031 1.494 ( 0.000 1.067 -1.728) 2.031 1.533 ( 0.000 -4.003 -1.609) 4.314 1.533 ( 0.000 4.003 -1.609) 4.314 1.719 ( 0.000 -0.424 2.307) 2.345 1.719 ( 0.000 0.424 2.307) 2.345 1.735 ( 0.000 -1.406 0.920) 1.680 1.735 ( 0.000 1.406 0.920) 1.680 1.890 ( 0.000 -0.759 -4.187) 4.255 1.890 ( 0.000 0.759 -4.187) 4.255 2.141 ( 0.000 -1.098 0.176) 1.112 2.141 ( 0.000 1.098 0.176) 1.112 2.152 ( 0.000 -3.094 -0.046) 3.094 2.152 ( 0.000 3.094 -0.046) 3.094 2.238 ( 0.000 -3.103 0.493) 3.142 2.238 ( 0.000 3.103 0.493) 3.142 2.548 ( 0.000 -0.171 1.020) 1.034 2.548 ( 0.000 0.171 1.020) 1.034 2.608 ( 0.000 -0.558 1.459) 1.562 2.608 ( 0.000 0.558 1.459) 1.562 2.716 ( 0.000 -3.200 -1.221) 3.425 2.716 ( 0.000 3.200 -1.221) 3.425 2.788 ( 0.000 -0.263 -3.518) 3.528 2.788 ( 0.000 0.263 -3.518) 3.528 2.951 ( 0.000 -0.783 -0.359) 0.862 2.951 ( 0.000 0.783 -0.359) 0.862 3.200 ( 0.000 -0.525 0.858) 1.005 3.200 ( 0.000 0.525 0.858) 1.005 3.219 ( 0.000 -0.187 0.555) 0.585 3.219 ( 0.000 0.187 0.555) 0.585 3.398 ( 0.000 -0.012 1.175) 1.175 3.398 ( 0.000 0.012 1.175) 1.175 3.510 ( 0.000 -0.721 -1.918) 2.049 3.510 ( 0.000 0.721 -1.918) 2.049 3.634 ( 0.000 -0.797 -0.489) 0.935 3.634 ( 0.000 0.797 -0.489) 0.935 3.844 ( 0.000 -1.908 2.096) 2.834 3.844 ( 0.000 1.908 2.096) 2.834 4.174 ( 0.000 -5.879 0.443) 5.896 4.174 ( 0.000 5.879 0.443) 5.896 7.030 ( 0.000 -0.353 -0.295) 0.460 7.030 ( 0.000 0.353 -0.295) 0.460 7.155 ( 0.000 -0.498 0.040) 0.500 7.155 ( 0.000 0.498 0.040) 0.500 7.520 ( 0.000 -1.666 0.798) 1.847 7.520 ( 0.000 1.666 0.798) 1.847 7.548 ( 0.000 -1.644 -0.560) 1.737 7.548 ( 0.000 1.644 -0.560) 1.737 10.449 ( 0.000 -0.008 -0.551) 0.551 10.449 ( 0.000 0.008 -0.551) 0.551 10.578 ( 0.000 -0.067 -0.138) 0.153 10.578 ( 0.000 0.067 -0.138) 0.153 10.687 ( 0.000 -0.382 0.615) 0.724 10.687 ( 0.000 0.382 0.615) 0.724 10.741 ( 0.000 -1.064 -0.909) 1.399 10.741 ( 0.000 1.064 -0.909) 1.399 10.995 ( 0.000 -0.035 1.416) 1.417 10.995 ( 0.000 0.035 1.416) 1.417 11.139 ( 0.000 -0.266 -0.447) 0.520 11.139 ( 0.000 0.266 -0.447) 0.520 15.805 ( 0.000 -0.001 -0.055) 0.055 15.805 ( 0.000 0.001 -0.055) 0.055 15.827 ( 0.000 -0.060 0.134) 0.146 15.827 ( 0.000 0.060 0.134) 0.146 23.089 ( 0.000 -0.954 -1.094) 1.452 23.089 ( 0.000 0.954 -1.094) 1.452 23.293 ( 0.000 -1.598 0.423) 1.653 23.293 ( 0.000 1.598 0.423) 1.653 23.717 ( 0.000 -0.216 0.533) 0.575 23.717 ( 0.000 0.216 0.533) 0.575 23.996 ( 0.000 -0.870 0.671) 1.098 23.996 ( 0.000 0.870 0.671) 1.098 24.180 ( 0.000 -1.983 -0.409) 2.025 24.180 ( 0.000 1.983 -0.409) 2.025 24.649 ( 0.000 -3.172 -0.174) 3.177 24.649 ( 0.000 3.172 -0.174) 3.177 ======================= Grid point 156 (58/60) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 1.286 -2.717 1.995) 3.608 1.198 ( 1.286 2.717 1.995) 3.608 1.239 ( 1.873 -2.237 -2.154) 3.626 1.239 ( 1.873 2.237 -2.154) 3.627 1.335 ( -1.823 -5.433 3.482) 6.706 1.335 ( -1.823 5.433 3.482) 6.706 1.399 ( -1.518 -3.094 -1.469) 3.746 1.399 ( -1.518 3.094 -1.469) 3.746 1.487 ( -0.254 -2.928 -1.688) 3.389 1.487 ( -0.254 2.928 -1.688) 3.389 1.528 ( -0.306 -3.772 -1.380) 4.028 1.528 ( -0.306 3.772 -1.380) 4.028 1.673 ( -1.182 -0.741 0.145) 1.403 1.673 ( -1.182 0.741 0.145) 1.403 1.838 ( 2.064 -1.806 2.865) 3.966 1.838 ( 2.064 1.806 2.865) 3.966 1.918 ( 5.163 -2.241 -3.596) 6.679 1.918 ( 5.163 2.241 -3.596) 6.679 2.117 ( -2.669 -1.135 0.586) 2.959 2.117 ( -2.669 1.135 0.586) 2.959 2.178 ( 2.670 -4.277 0.411) 5.059 2.178 ( 2.670 4.277 0.411) 5.059 2.259 ( 2.882 -1.558 -1.335) 3.538 2.259 ( 2.882 1.558 -1.335) 3.538 2.541 ( -0.731 -0.320 0.627) 1.014 2.541 ( -0.731 0.320 0.627) 1.014 2.601 ( -0.448 -0.518 0.895) 1.127 2.601 ( -0.448 0.518 0.895) 1.127 2.750 ( 3.480 -1.726 0.356) 3.901 2.750 ( 3.480 1.726 0.356) 3.901 2.830 ( 3.033 -0.745 -3.334) 4.569 2.830 ( 3.033 0.745 -3.334) 4.569 2.964 ( 1.164 -0.607 -0.107) 1.317 2.964 ( 1.164 0.607 -0.107) 1.317 3.167 ( -4.043 -0.260 0.344) 4.065 3.167 ( -4.043 0.260 0.344) 4.065 3.200 ( -0.347 -0.601 0.907) 1.142 3.200 ( -0.347 0.601 0.907) 1.142 3.373 ( -2.599 -0.188 0.014) 2.605 3.373 ( -2.599 0.188 0.014) 2.605 3.540 ( 2.357 -0.502 -0.904) 2.574 3.540 ( 2.357 0.502 -0.904) 2.574 3.632 ( -0.312 -0.688 -0.299) 0.812 3.632 ( -0.312 0.688 -0.299) 0.812 3.875 ( 3.227 -1.532 1.911) 4.052 3.875 ( 3.227 1.532 1.911) 4.052 4.171 ( -0.422 -5.870 0.406) 5.899 4.171 ( -0.422 5.870 0.406) 5.899 7.042 ( 1.092 -0.340 -0.317) 1.187 7.042 ( 1.092 0.340 -0.317) 1.187 7.158 ( 0.059 -0.469 0.166) 0.501 7.158 ( 0.059 0.469 0.166) 0.501 7.523 ( 0.234 -1.786 0.722) 1.941 7.523 ( 0.234 1.786 0.722) 1.941 7.543 ( -0.356 -1.695 -0.667) 1.857 7.543 ( -0.356 1.695 -0.667) 1.857 10.455 ( 0.506 -0.079 -0.391) 0.644 10.455 ( 0.506 0.079 -0.391) 0.644 10.583 ( 0.364 -0.041 0.059) 0.371 10.583 ( 0.364 0.041 0.059) 0.371 10.685 ( -1.248 -1.118 1.506) 2.253 10.685 ( -1.248 1.118 1.506) 2.253 10.717 ( -1.171 -1.709 -1.784) 2.734 10.717 ( -1.171 1.709 -1.784) 2.734 10.967 ( -2.208 -0.178 1.109) 2.477 10.967 ( -2.208 0.178 1.109) 2.477 11.108 ( -2.751 -0.248 -0.449) 2.799 11.108 ( -2.751 0.248 -0.449) 2.799 15.812 ( 0.589 -0.040 -0.043) 0.592 15.812 ( 0.589 0.040 -0.043) 0.592 15.831 ( 0.337 -0.069 0.121) 0.364 15.831 ( 0.337 0.069 0.121) 0.364 23.106 ( 1.618 -1.065 -1.041) 2.200 23.106 ( 1.618 1.065 -1.041) 2.200 23.279 ( -1.248 -1.438 0.436) 1.953 23.279 ( -1.248 1.438 0.436) 1.953 23.672 ( -1.886 -0.121 -0.059) 1.891 23.672 ( -1.886 0.121 -0.059) 1.891 24.096 ( 0.223 -5.450 4.290) 6.940 24.096 ( 0.223 5.450 4.290) 6.940 24.187 ( 6.866 -5.807 -4.076) 9.873 24.187 ( 6.866 5.807 -4.076) 9.873 24.645 ( -0.151 -3.141 0.393) 3.170 24.645 ( -0.151 3.141 0.393) 3.170 ======================= Grid point 158 (59/60) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 1.277 -2.318 2.377) 3.557 1.226 ( 1.277 2.318 2.377) 3.557 1.268 ( -0.114 -4.352 -0.484) 4.380 1.268 ( -0.114 4.352 -0.484) 4.380 1.318 ( 1.120 -4.824 0.935) 5.039 1.318 ( 1.120 4.824 0.935) 5.039 1.378 ( -0.658 -2.939 -2.245) 3.756 1.378 ( -0.658 2.939 -2.245) 3.756 1.494 ( 0.940 -2.799 -1.221) 3.195 1.494 ( 0.940 2.799 -1.221) 3.195 1.521 ( -0.397 -2.281 -1.191) 2.604 1.521 ( -0.397 2.281 -1.191) 2.604 1.658 ( -0.049 -1.163 -0.595) 1.308 1.658 ( -0.049 1.163 -0.595) 1.308 1.797 ( -4.467 -0.742 -0.040) 4.528 1.797 ( -4.467 0.742 -0.040) 4.528 2.043 ( 4.121 -2.134 1.834) 4.990 2.043 ( 4.121 2.134 1.834) 4.990 2.082 ( 0.554 -1.793 -0.660) 1.989 2.082 ( 0.554 1.793 -0.660) 1.990 2.269 ( 5.398 -2.643 0.071) 6.010 2.269 ( 5.398 2.643 0.071) 6.010 2.327 ( 2.818 -1.395 -1.340) 3.418 2.327 ( 2.818 1.395 -1.340) 3.418 2.521 ( -0.840 -0.399 0.087) 0.934 2.521 ( -0.840 0.399 0.087) 0.934 2.584 ( -1.684 -0.454 0.440) 1.798 2.584 ( -1.684 0.454 0.440) 1.798 2.842 ( 4.693 -2.002 1.076) 5.214 2.842 ( 4.693 2.002 1.076) 5.214 2.890 ( 2.495 -0.953 -2.765) 3.844 2.890 ( 2.495 0.953 -2.765) 3.844 2.994 ( 1.714 -0.083 0.464) 1.778 2.994 ( 1.714 0.083 0.464) 1.778 3.082 ( -3.529 -0.615 -0.427) 3.608 3.082 ( -3.529 0.615 -0.427) 3.608 3.192 ( -0.329 -0.816 0.791) 1.183 3.192 ( -0.329 0.816 0.791) 1.183 3.296 ( -4.540 -0.415 -0.171) 4.562 3.296 ( -4.540 0.415 -0.171) 4.562 3.580 ( 1.344 -0.267 -0.091) 1.373 3.580 ( 1.344 0.267 -0.091) 1.373 3.620 ( -0.800 -0.472 -0.085) 0.933 3.620 ( -0.800 0.472 -0.085) 0.933 3.972 ( 5.626 -0.620 1.284) 5.804 3.972 ( 5.626 0.620 1.284) 5.804 4.148 ( -2.073 -5.020 0.407) 5.446 4.148 ( -2.073 5.020 0.407) 5.446 7.073 ( 1.870 -0.397 -0.234) 1.926 7.073 ( 1.870 0.397 -0.234) 1.926 7.148 ( -1.082 -0.456 0.237) 1.198 7.148 ( -1.082 0.456 0.237) 1.198 7.528 ( 0.282 -1.525 0.338) 1.587 7.528 ( 0.282 1.525 0.338) 1.587 7.538 ( -0.167 -1.327 -0.581) 1.458 7.538 ( -0.167 1.327 -0.581) 1.458 10.471 ( 1.206 -0.164 0.011) 1.217 10.471 ( 1.206 0.164 0.011) 1.217 10.572 ( -2.399 -0.251 0.895) 2.572 10.572 ( -2.399 0.251 0.895) 2.572 10.645 ( -0.337 -0.333 -0.204) 0.516 10.645 ( -0.337 0.333 -0.204) 0.516 10.707 ( -0.996 -0.832 -0.336) 1.341 10.707 ( -0.996 0.832 -0.336) 1.341 10.935 ( -0.120 -0.307 0.213) 0.393 10.935 ( -0.120 0.307 0.213) 0.393 11.039 ( -3.655 -0.150 -0.417) 3.682 11.039 ( -3.655 0.150 -0.417) 3.682 15.826 ( 0.669 -0.070 -0.010) 0.673 15.826 ( 0.669 0.070 -0.010) 0.673 15.837 ( 0.189 -0.081 0.085) 0.222 15.837 ( 0.189 0.081 0.085) 0.222 23.151 ( 2.525 -1.183 -0.740) 2.885 23.151 ( 2.525 1.183 -0.740) 2.885 23.248 ( -1.772 -1.193 0.265) 2.152 23.248 ( -1.772 1.193 0.265) 2.152 23.684 ( 3.205 -0.315 -0.372) 3.242 23.684 ( 3.205 0.315 -0.372) 3.242 23.976 ( -8.406 -1.908 0.334) 8.626 23.976 ( -8.406 1.908 0.334) 8.626 24.410 ( 10.695 -2.388 -0.468) 10.968 24.410 ( 10.695 2.388 -0.468) 10.968 24.640 ( -0.917 -2.768 0.909) 3.054 24.640 ( -0.917 2.768 0.909) 3.054 ======================= Grid point 160 (60/60) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -0.997 -4.493 1.948) 4.998 1.249 ( 0.943 -4.490 1.948) 4.984 1.249 ( -0.943 4.490 1.948) 4.984 1.249 ( 0.997 4.493 1.948) 4.998 1.356 ( -1.669 -1.305 -1.957) 2.884 1.356 ( 1.128 -1.151 -1.957) 2.535 1.356 ( -1.128 1.151 -1.957) 2.535 1.356 ( 1.669 1.305 -1.957) 2.884 1.512 ( -0.342 -6.406 -1.104) 6.510 1.512 ( 0.303 -6.406 -1.104) 6.507 1.512 ( -0.303 6.406 -1.104) 6.507 1.512 ( 0.342 6.406 -1.104) 6.510 1.698 ( -3.868 -1.123 -0.556) 4.066 1.698 ( -3.152 0.065 -0.556) 3.201 1.698 ( 3.152 -0.065 -0.556) 3.201 1.698 ( 3.868 1.123 -0.556) 4.066 2.091 ( -0.837 -1.656 1.178) 2.198 2.091 ( 0.377 -1.614 1.178) 2.033 2.091 ( -0.377 1.614 1.178) 2.033 2.091 ( 0.837 1.656 1.178) 2.198 2.349 ( -1.219 -1.401 -0.696) 1.984 2.349 ( 0.614 -1.298 -0.696) 1.596 2.349 ( -0.614 1.298 -0.696) 1.596 2.349 ( 1.219 1.401 -0.696) 1.984 2.534 ( -1.699 -1.370 -0.046) 2.183 2.534 ( -1.005 -1.187 -0.046) 1.556 2.534 ( 1.005 1.187 -0.046) 1.556 2.534 ( 1.699 1.370 -0.046) 2.183 2.909 ( -1.149 -1.783 -0.513) 2.182 2.909 ( 0.874 -1.744 -0.513) 2.017 2.909 ( -0.874 1.744 -0.513) 2.017 2.909 ( 1.149 1.783 -0.513) 2.182 3.032 ( -1.279 -1.710 -0.118) 2.138 3.032 ( -0.066 -1.586 -0.118) 1.592 3.032 ( 0.066 1.586 -0.118) 1.592 3.032 ( 1.279 1.710 -0.118) 2.138 3.211 ( -2.273 -1.498 0.286) 2.737 3.211 ( -1.157 -1.134 0.286) 1.645 3.211 ( 1.157 1.134 0.286) 1.645 3.211 ( 2.273 1.498 0.286) 2.737 3.602 ( -0.753 -0.723 0.048) 1.044 3.602 ( -0.039 -0.617 0.048) 0.620 3.602 ( 0.039 0.617 0.048) 0.620 3.602 ( 0.753 0.723 0.048) 1.044 4.080 ( -4.282 -3.209 0.695) 5.396 4.080 ( 2.002 -2.592 0.695) 3.348 4.080 ( -2.002 2.592 0.695) 3.348 4.080 ( 4.282 3.209 0.695) 5.396 7.115 ( -1.405 -1.379 0.022) 1.969 7.115 ( -0.698 -1.237 0.022) 1.421 7.115 ( 0.698 1.237 0.022) 1.421 7.115 ( 1.405 1.379 0.022) 1.969 7.534 ( -0.199 -1.021 -0.173) 1.055 7.534 ( 0.181 -1.020 -0.173) 1.051 7.534 ( -0.181 1.020 -0.173) 1.051 7.534 ( 0.199 1.021 -0.173) 1.055 10.510 ( -2.488 -0.488 0.521) 2.589 10.510 ( -2.290 -0.023 0.521) 2.348 10.510 ( 2.290 0.023 0.521) 2.348 10.510 ( 2.488 0.488 0.521) 2.589 10.671 ( -1.582 -1.072 -0.092) 1.913 10.671 ( -0.922 -0.858 -0.092) 1.263 10.671 ( 0.922 0.858 -0.092) 1.263 10.671 ( 1.582 1.072 -0.092) 1.913 10.968 ( -2.615 -0.649 -0.323) 2.714 10.968 ( -2.343 -0.290 -0.323) 2.383 10.968 ( 2.343 0.290 -0.323) 2.383 10.968 ( 2.615 0.649 -0.323) 2.714 15.836 ( -0.111 -0.529 0.037) 0.542 15.836 ( -0.032 -0.526 0.037) 0.528 15.836 ( 0.032 0.526 0.037) 0.528 15.836 ( 0.111 0.529 0.037) 0.542 23.204 ( -2.178 -1.597 -0.193) 2.707 23.204 ( -0.174 -1.171 -0.193) 1.200 23.204 ( 0.174 1.171 -0.193) 1.200 23.204 ( 2.178 1.597 -0.193) 2.707 23.801 ( -7.458 -1.263 -0.417) 7.576 23.801 ( -7.035 0.250 -0.417) 7.052 23.801 ( 7.035 -0.250 -0.417) 7.052 23.801 ( 7.458 1.263 -0.417) 7.576 24.580 ( -5.048 -2.865 0.571) 5.832 24.580 ( -1.092 -1.463 0.571) 1.913 24.580 ( 1.092 1.463 0.571) 1.913 24.580 ( 5.048 2.865 0.571) 5.832 =================== 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 3/20160 10.0 29.325 37.746 30.505 0.000 0.000 -0.000 3/20160 20.0 4.654 6.123 4.654 0.000 0.000 -0.000 3/20160 30.0 2.182 2.803 2.111 0.000 0.000 -0.000 3/20160 40.0 1.422 1.802 1.345 0.000 0.000 -0.000 3/20160 50.0 1.071 1.348 0.998 0.000 0.000 -0.000 3/20160 60.0 0.868 1.092 0.801 0.000 0.000 -0.000 3/20160 70.0 0.736 0.927 0.674 0.000 0.000 -0.000 3/20160 80.0 0.642 0.810 0.584 0.000 0.000 -0.000 3/20160 90.0 0.571 0.723 0.516 0.000 0.000 -0.000 3/20160 100.0 0.516 0.655 0.464 0.000 0.000 -0.000 3/20160 110.0 0.471 0.600 0.421 0.000 0.000 -0.000 3/20160 120.0 0.435 0.556 0.386 0.000 0.000 -0.000 3/20160 130.0 0.405 0.518 0.357 0.000 0.000 -0.000 3/20160 140.0 0.380 0.486 0.333 0.000 0.000 -0.000 3/20160 150.0 0.359 0.459 0.312 0.000 0.000 -0.000 3/20160 160.0 0.340 0.435 0.293 0.000 0.000 -0.000 3/20160 170.0 0.324 0.414 0.277 0.000 0.000 -0.000 3/20160 180.0 0.310 0.395 0.263 0.000 0.000 -0.000 3/20160 190.0 0.298 0.379 0.251 0.000 0.000 -0.000 3/20160 200.0 0.287 0.364 0.240 0.000 0.000 -0.000 3/20160 210.0 0.277 0.350 0.230 0.000 0.000 -0.000 3/20160 220.0 0.268 0.338 0.221 0.000 0.000 -0.000 3/20160 230.0 0.260 0.327 0.213 0.000 0.000 0.000 3/20160 240.0 0.252 0.317 0.205 0.000 0.000 0.000 3/20160 250.0 0.245 0.307 0.199 0.000 0.000 0.000 3/20160 260.0 0.239 0.298 0.192 0.000 0.000 0.000 3/20160 270.0 0.233 0.290 0.186 0.000 0.000 0.000 3/20160 280.0 0.227 0.282 0.181 0.000 0.000 0.000 3/20160 290.0 0.222 0.275 0.176 0.000 0.000 0.000 3/20160 300.0 0.217 0.268 0.171 0.000 0.000 0.000 3/20160 310.0 0.212 0.261 0.166 0.000 0.000 0.000 3/20160 320.0 0.208 0.255 0.162 0.000 0.000 0.000 3/20160 330.0 0.204 0.249 0.158 0.000 0.000 0.000 3/20160 340.0 0.199 0.244 0.154 0.000 0.000 0.000 3/20160 350.0 0.196 0.238 0.151 0.000 0.000 0.000 3/20160 360.0 0.192 0.233 0.147 0.000 0.000 0.000 3/20160 370.0 0.188 0.228 0.144 0.000 0.000 0.000 3/20160 380.0 0.185 0.223 0.141 0.000 0.000 0.000 3/20160 390.0 0.181 0.219 0.138 0.000 0.000 0.000 3/20160 400.0 0.178 0.214 0.135 0.000 0.000 0.000 3/20160 410.0 0.175 0.210 0.132 0.000 0.000 0.000 3/20160 420.0 0.172 0.206 0.130 0.000 0.000 0.000 3/20160 430.0 0.169 0.202 0.127 0.000 0.000 0.000 3/20160 440.0 0.166 0.199 0.125 0.000 0.000 0.000 3/20160 450.0 0.163 0.195 0.122 0.000 0.000 0.000 3/20160 460.0 0.160 0.192 0.120 0.000 0.000 0.000 3/20160 470.0 0.158 0.188 0.118 0.000 0.000 0.000 3/20160 480.0 0.155 0.185 0.116 0.000 0.000 0.000 3/20160 490.0 0.153 0.182 0.114 0.000 0.000 0.000 3/20160 500.0 0.150 0.179 0.112 0.000 0.000 0.000 3/20160 510.0 0.148 0.176 0.110 0.000 0.000 0.000 3/20160 520.0 0.146 0.173 0.108 0.000 0.000 0.000 3/20160 530.0 0.143 0.170 0.106 0.000 0.000 0.000 3/20160 540.0 0.141 0.167 0.105 0.000 0.000 0.000 3/20160 550.0 0.139 0.165 0.103 0.000 0.000 0.000 3/20160 560.0 0.137 0.162 0.101 0.000 0.000 0.000 3/20160 570.0 0.135 0.160 0.100 0.000 0.000 0.000 3/20160 580.0 0.133 0.157 0.098 0.000 0.000 0.000 3/20160 590.0 0.131 0.155 0.097 0.000 0.000 0.000 3/20160 600.0 0.130 0.153 0.095 0.000 0.000 0.000 3/20160 610.0 0.128 0.151 0.094 0.000 0.000 0.000 3/20160 620.0 0.126 0.148 0.092 0.000 0.000 0.000 3/20160 630.0 0.124 0.146 0.091 0.000 0.000 0.000 3/20160 640.0 0.123 0.144 0.090 0.000 0.000 0.000 3/20160 650.0 0.121 0.142 0.089 0.000 0.000 0.000 3/20160 660.0 0.120 0.140 0.087 0.000 0.000 0.000 3/20160 670.0 0.118 0.139 0.086 0.000 0.000 0.000 3/20160 680.0 0.116 0.137 0.085 0.000 0.000 0.000 3/20160 690.0 0.115 0.135 0.084 0.000 0.000 0.000 3/20160 700.0 0.114 0.133 0.083 0.000 0.000 0.000 3/20160 710.0 0.112 0.131 0.082 0.000 0.000 0.000 3/20160 720.0 0.111 0.130 0.081 0.000 0.000 0.000 3/20160 730.0 0.109 0.128 0.080 0.000 0.000 0.000 3/20160 740.0 0.108 0.127 0.079 0.000 0.000 0.000 3/20160 750.0 0.107 0.125 0.078 0.000 0.000 0.000 3/20160 760.0 0.106 0.124 0.077 0.000 0.000 0.000 3/20160 770.0 0.104 0.122 0.076 0.000 0.000 0.000 3/20160 780.0 0.103 0.121 0.075 0.000 0.000 0.000 3/20160 790.0 0.102 0.119 0.074 0.000 0.000 0.000 3/20160 800.0 0.101 0.118 0.073 0.000 0.000 0.000 3/20160 810.0 0.100 0.117 0.072 0.000 0.000 0.000 3/20160 820.0 0.099 0.115 0.072 0.000 0.000 0.000 3/20160 830.0 0.098 0.114 0.071 0.000 0.000 0.000 3/20160 840.0 0.097 0.113 0.070 0.000 0.000 0.000 3/20160 850.0 0.096 0.111 0.069 0.000 0.000 0.000 3/20160 860.0 0.095 0.110 0.068 0.000 0.000 0.000 3/20160 870.0 0.094 0.109 0.068 0.000 0.000 0.000 3/20160 880.0 0.093 0.108 0.067 0.000 0.000 0.000 3/20160 890.0 0.092 0.107 0.066 0.000 0.000 0.000 3/20160 900.0 0.091 0.106 0.066 0.000 0.000 0.000 3/20160 910.0 0.090 0.105 0.065 0.000 0.000 0.000 3/20160 920.0 0.089 0.103 0.064 0.000 0.000 0.000 3/20160 930.0 0.088 0.102 0.064 0.000 0.000 0.000 3/20160 940.0 0.087 0.101 0.063 0.000 0.000 0.000 3/20160 950.0 0.086 0.100 0.062 0.000 0.000 0.000 3/20160 960.0 0.085 0.099 0.062 0.000 0.000 0.000 3/20160 970.0 0.085 0.098 0.061 0.000 0.000 0.000 3/20160 980.0 0.084 0.098 0.060 0.000 0.000 0.000 3/20160 990.0 0.083 0.097 0.060 0.000 0.000 0.000 3/20160 1000.0 0.082 0.096 0.059 0.000 0.000 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m685.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:41:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|