----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:13:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.468580029999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.593691599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.463869850000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 3 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 *5 O 0.62605289991748 0.95428264164640 0.23456701161638 15.999 6 O 0.12605289991748 0.54571735835360 0.26543298838362 15.999 7 O 0.87394710008252 0.04571735835360 0.73456701161638 15.999 8 O 0.37394710008252 0.45428264164640 0.76543298838362 15.999 9 O 0.37394710008252 0.04571735835360 0.76543298838362 15.999 10 O 0.62605289991748 0.54571735835360 0.23456701161638 15.999 11 O 0.12605289991748 0.95428264164640 0.26543298838362 15.999 12 O 0.87394710008252 0.45428264164640 0.73456701161638 15.999 *13 O 0.11336302251393 0.75000000000000 0.66829373248266 15.999 14 O 0.88663697748606 0.25000000000000 0.33170626751734 15.999 15 O 0.38663697748607 0.25000000000000 0.16829373248266 15.999 16 O 0.61336302251394 0.75000000000000 0.83170626751734 15.999 *17 O 0.81347861549942 0.75000000000000 0.49938908194569 15.999 18 O 0.18652138450058 0.25000000000000 0.50061091805431 15.999 19 O 0.68652138450058 0.25000000000000 0.99938908194569 15.999 20 O 0.31347861549942 0.75000000000000 0.00061091805431 15.999 *21 O 0.06473402371554 0.25000000000000 0.98988743844093 15.999 22 O 0.93526597628446 0.75000000000000 0.01011256155907 15.999 23 O 0.43526597628446 0.75000000000000 0.48988743844093 15.999 24 O 0.56473402371554 0.25000000000000 0.51011256155907 15.999 *25 Ti 0.33789162367354 0.75000000000000 0.72509481536480 47.867 26 Ti 0.66210837632646 0.25000000000000 0.27490518463520 47.867 27 Ti 0.16210837632646 0.25000000000000 0.22509481536480 47.867 28 Ti 0.83789162367354 0.75000000000000 0.77490518463520 47.867 *29 As 0.37315138125190 0.25000000000000 0.63061051028787 74.922 30 As 0.62684861874810 0.75000000000000 0.36938948971213 74.922 31 As 0.12684861874810 0.75000000000000 0.13061051028787 74.922 32 As 0.87315138125190 0.25000000000000 0.86938948971213 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.468580029999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.593691599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.463869850000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 2 3 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 3 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 4 *5 O 0.62605289991748 0.95428264164640 0.23456701161638 15.999 > 5 6 O 0.12605289991748 0.54571735835360 0.26543298838362 15.999 > 6 7 O 0.87394710008252 0.04571735835360 0.73456701161638 15.999 > 7 8 O 0.37394710008252 0.45428264164640 0.76543298838362 15.999 > 8 9 O 0.37394710008252 0.04571735835360 0.76543298838362 15.999 > 9 10 O 0.62605289991748 0.54571735835360 0.23456701161638 15.999 > 10 11 O 0.12605289991748 0.95428264164640 0.26543298838362 15.999 > 11 12 O 0.87394710008252 0.45428264164640 0.73456701161638 15.999 > 12 *13 O 0.11336302251393 0.75000000000000 0.66829373248266 15.999 > 13 14 O 0.88663697748606 0.25000000000000 0.33170626751734 15.999 > 14 15 O 0.38663697748607 0.25000000000000 0.16829373248266 15.999 > 15 16 O 0.61336302251394 0.75000000000000 0.83170626751734 15.999 > 16 *17 O 0.81347861549942 0.75000000000000 0.49938908194569 15.999 > 17 18 O 0.18652138450058 0.25000000000000 0.50061091805431 15.999 > 18 19 O 0.68652138450058 0.25000000000000 0.99938908194569 15.999 > 19 20 O 0.31347861549942 0.75000000000000 0.00061091805431 15.999 > 20 *21 O 0.06473402371554 0.25000000000000 0.98988743844093 15.999 > 21 22 O 0.93526597628446 0.75000000000000 0.01011256155907 15.999 > 22 23 O 0.43526597628446 0.75000000000000 0.48988743844093 15.999 > 23 24 O 0.56473402371554 0.25000000000000 0.51011256155907 15.999 > 24 *25 Ti 0.33789162367354 0.75000000000000 0.72509481536480 47.867 > 25 26 Ti 0.66210837632646 0.25000000000000 0.27490518463520 47.867 > 26 27 Ti 0.16210837632646 0.25000000000000 0.22509481536480 47.867 > 27 28 Ti 0.83789162367354 0.75000000000000 0.77490518463520 47.867 > 28 *29 As 0.37315138125190 0.25000000000000 0.63061051028787 74.922 > 29 30 As 0.62684861874810 0.75000000000000 0.36938948971213 74.922 > 30 31 As 0.12684861874810 0.75000000000000 0.13061051028787 74.922 > 31 32 As 0.87315138125190 0.25000000000000 0.86938948971213 74.922 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.468580029999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.187383199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.927739700000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 1 5 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 2 6 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 2 7 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 2 8 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 2 9 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 3 10 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 3 11 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 3 12 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 3 13 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 4 14 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 4 15 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 4 16 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 4 *17 O 0.62605289991748 0.47714132082320 0.11728350580819 15.999 > 5 18 O 0.62605289991748 0.97714132082320 0.11728350580819 15.999 > 5 19 O 0.62605289991748 0.47714132082320 0.61728350580819 15.999 > 5 20 O 0.62605289991748 0.97714132082320 0.61728350580819 15.999 > 5 21 O 0.12605289991748 0.27285867917680 0.13271649419181 15.999 > 6 22 O 0.12605289991748 0.77285867917680 0.13271649419181 15.999 > 6 23 O 0.12605289991748 0.27285867917680 0.63271649419181 15.999 > 6 24 O 0.12605289991748 0.77285867917680 0.63271649419181 15.999 > 6 25 O 0.87394710008252 0.02285867917680 0.36728350580819 15.999 > 7 26 O 0.87394710008252 0.52285867917680 0.36728350580819 15.999 > 7 27 O 0.87394710008252 0.02285867917680 0.86728350580819 15.999 > 7 28 O 0.87394710008252 0.52285867917680 0.86728350580819 15.999 > 7 29 O 0.37394710008252 0.22714132082320 0.38271649419181 15.999 > 8 30 O 0.37394710008252 0.72714132082320 0.38271649419181 15.999 > 8 31 O 0.37394710008252 0.22714132082320 0.88271649419181 15.999 > 8 32 O 0.37394710008252 0.72714132082320 0.88271649419181 15.999 > 8 33 O 0.37394710008252 0.02285867917680 0.38271649419181 15.999 > 9 34 O 0.37394710008252 0.52285867917680 0.38271649419181 15.999 > 9 35 O 0.37394710008252 0.02285867917680 0.88271649419181 15.999 > 9 36 O 0.37394710008252 0.52285867917680 0.88271649419181 15.999 > 9 37 O 0.62605289991748 0.27285867917680 0.11728350580819 15.999 > 10 38 O 0.62605289991748 0.77285867917680 0.11728350580819 15.999 > 10 39 O 0.62605289991748 0.27285867917680 0.61728350580819 15.999 > 10 40 O 0.62605289991748 0.77285867917680 0.61728350580819 15.999 > 10 41 O 0.12605289991748 0.47714132082320 0.13271649419181 15.999 > 11 42 O 0.12605289991748 0.97714132082320 0.13271649419181 15.999 > 11 43 O 0.12605289991748 0.47714132082320 0.63271649419181 15.999 > 11 44 O 0.12605289991748 0.97714132082320 0.63271649419181 15.999 > 11 45 O 0.87394710008252 0.22714132082320 0.36728350580819 15.999 > 12 46 O 0.87394710008252 0.72714132082320 0.36728350580819 15.999 > 12 47 O 0.87394710008252 0.22714132082320 0.86728350580819 15.999 > 12 48 O 0.87394710008252 0.72714132082320 0.86728350580819 15.999 > 12 *49 O 0.11336302251393 0.37500000000000 0.33414686624133 15.999 > 13 50 O 0.11336302251393 0.87500000000000 0.33414686624133 15.999 > 13 51 O 0.11336302251393 0.37500000000000 0.83414686624133 15.999 > 13 52 O 0.11336302251393 0.87500000000000 0.83414686624133 15.999 > 13 53 O 0.88663697748606 0.12500000000000 0.16585313375867 15.999 > 14 54 O 0.88663697748606 0.62500000000000 0.16585313375867 15.999 > 14 55 O 0.88663697748606 0.12500000000000 0.66585313375867 15.999 > 14 56 O 0.88663697748606 0.62500000000000 0.66585313375867 15.999 > 14 57 O 0.38663697748607 0.12500000000000 0.08414686624133 15.999 > 15 58 O 0.38663697748607 0.62500000000000 0.08414686624133 15.999 > 15 59 O 0.38663697748607 0.12500000000000 0.58414686624133 15.999 > 15 60 O 0.38663697748607 0.62500000000000 0.58414686624133 15.999 > 15 61 O 0.61336302251394 0.37500000000000 0.41585313375867 15.999 > 16 62 O 0.61336302251394 0.87500000000000 0.41585313375867 15.999 > 16 63 O 0.61336302251394 0.37500000000000 0.91585313375867 15.999 > 16 64 O 0.61336302251394 0.87500000000000 0.91585313375867 15.999 > 16 *65 O 0.81347861549942 0.37500000000000 0.24969454097285 15.999 > 17 66 O 0.81347861549942 0.87500000000000 0.24969454097285 15.999 > 17 67 O 0.81347861549942 0.37500000000000 0.74969454097285 15.999 > 17 68 O 0.81347861549942 0.87500000000000 0.74969454097285 15.999 > 17 69 O 0.18652138450058 0.12500000000000 0.25030545902715 15.999 > 18 70 O 0.18652138450058 0.62500000000000 0.25030545902715 15.999 > 18 71 O 0.18652138450058 0.12500000000000 0.75030545902715 15.999 > 18 72 O 0.18652138450058 0.62500000000000 0.75030545902715 15.999 > 18 73 O 0.68652138450058 0.12500000000000 0.49969454097285 15.999 > 19 74 O 0.68652138450058 0.62500000000000 0.49969454097285 15.999 > 19 75 O 0.68652138450058 0.12500000000000 0.99969454097285 15.999 > 19 76 O 0.68652138450058 0.62500000000000 0.99969454097285 15.999 > 19 77 O 0.31347861549942 0.37500000000000 0.00030545902715 15.999 > 20 78 O 0.31347861549942 0.87500000000000 0.00030545902715 15.999 > 20 79 O 0.31347861549942 0.37500000000000 0.50030545902715 15.999 > 20 80 O 0.31347861549942 0.87500000000000 0.50030545902715 15.999 > 20 *81 O 0.06473402371554 0.12500000000000 0.49494371922046 15.999 > 21 82 O 0.06473402371554 0.62500000000000 0.49494371922046 15.999 > 21 83 O 0.06473402371554 0.12500000000000 0.99494371922046 15.999 > 21 84 O 0.06473402371554 0.62500000000000 0.99494371922046 15.999 > 21 85 O 0.93526597628446 0.37500000000000 0.00505628077953 15.999 > 22 86 O 0.93526597628446 0.87500000000000 0.00505628077953 15.999 > 22 87 O 0.93526597628446 0.37500000000000 0.50505628077954 15.999 > 22 88 O 0.93526597628446 0.87500000000000 0.50505628077954 15.999 > 22 89 O 0.43526597628446 0.37500000000000 0.24494371922046 15.999 > 23 90 O 0.43526597628446 0.87500000000000 0.24494371922046 15.999 > 23 91 O 0.43526597628446 0.37500000000000 0.74494371922046 15.999 > 23 92 O 0.43526597628446 0.87500000000000 0.74494371922046 15.999 > 23 93 O 0.56473402371554 0.12500000000000 0.25505628077954 15.999 > 24 94 O 0.56473402371554 0.62500000000000 0.25505628077954 15.999 > 24 95 O 0.56473402371554 0.12500000000000 0.75505628077954 15.999 > 24 96 O 0.56473402371554 0.62500000000000 0.75505628077954 15.999 > 24 *97 Ti 0.33789162367354 0.37500000000000 0.36254740768240 47.867 > 25 98 Ti 0.33789162367354 0.87500000000000 0.36254740768240 47.867 > 25 99 Ti 0.33789162367354 0.37500000000000 0.86254740768240 47.867 > 25 100 Ti 0.33789162367354 0.87500000000000 0.86254740768240 47.867 > 25 101 Ti 0.66210837632646 0.12500000000000 0.13745259231760 47.867 > 26 102 Ti 0.66210837632646 0.62500000000000 0.13745259231760 47.867 > 26 103 Ti 0.66210837632646 0.12500000000000 0.63745259231760 47.867 > 26 104 Ti 0.66210837632646 0.62500000000000 0.63745259231760 47.867 > 26 105 Ti 0.16210837632646 0.12500000000000 0.11254740768240 47.867 > 27 106 Ti 0.16210837632646 0.62500000000000 0.11254740768240 47.867 > 27 107 Ti 0.16210837632646 0.12500000000000 0.61254740768240 47.867 > 27 108 Ti 0.16210837632646 0.62500000000000 0.61254740768240 47.867 > 27 109 Ti 0.83789162367354 0.37500000000000 0.38745259231760 47.867 > 28 110 Ti 0.83789162367354 0.87500000000000 0.38745259231760 47.867 > 28 111 Ti 0.83789162367354 0.37500000000000 0.88745259231760 47.867 > 28 112 Ti 0.83789162367354 0.87500000000000 0.88745259231760 47.867 > 28 *113 As 0.37315138125190 0.12500000000000 0.31530525514394 74.922 > 29 114 As 0.37315138125190 0.62500000000000 0.31530525514394 74.922 > 29 115 As 0.37315138125190 0.12500000000000 0.81530525514394 74.922 > 29 116 As 0.37315138125190 0.62500000000000 0.81530525514394 74.922 > 29 117 As 0.62684861874810 0.37500000000000 0.18469474485606 74.922 > 30 118 As 0.62684861874810 0.87500000000000 0.18469474485606 74.922 > 30 119 As 0.62684861874810 0.37500000000000 0.68469474485606 74.922 > 30 120 As 0.62684861874810 0.87500000000000 0.68469474485606 74.922 > 30 121 As 0.12684861874810 0.37500000000000 0.06530525514394 74.922 > 31 122 As 0.12684861874810 0.87500000000000 0.06530525514394 74.922 > 31 123 As 0.12684861874810 0.37500000000000 0.56530525514394 74.922 > 31 124 As 0.12684861874810 0.87500000000000 0.56530525514394 74.922 > 31 125 As 0.87315138125190 0.12500000000000 0.43469474485606 74.922 > 32 126 As 0.87315138125190 0.62500000000000 0.43469474485606 74.922 > 32 127 As 0.87315138125190 0.12500000000000 0.93469474485606 74.922 > 32 128 As 0.87315138125190 0.62500000000000 0.93469474485606 74.922 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5277895 0.0000000 0.0000000 0.0000000 3.9946062 0.0000000 0.0000000 0.0000000 3.7949015 -------------------------- Born effective charges -------------------------- 1 Li 1.2461278 -0.0854497 0.1353141 0.0149341 1.0658686 -0.0716548 -0.2801742 -0.1391090 1.3052062 2 Li 1.2461278 0.0854497 -0.1353141 -0.0149341 1.0658686 -0.0716548 0.2801742 -0.1391090 1.3052062 3 Li 1.2461278 -0.0854497 -0.1353141 0.0149341 1.0658686 0.0716548 0.2801742 0.1391090 1.3052062 4 Li 1.2461278 0.0854497 0.1353141 -0.0149341 1.0658686 0.0716548 -0.2801742 0.1391090 1.3052062 5 O -1.1270914 -0.1427385 0.0235602 -0.1880296 -3.5070889 0.3858976 -0.1017262 0.6493615 -1.5476263 6 O -1.1270914 0.1427385 -0.0235602 0.1880296 -3.5070889 0.3858976 0.1017262 0.6493615 -1.5476263 7 O -1.1270914 -0.1427385 -0.0235602 -0.1880296 -3.5070889 -0.3858976 0.1017262 -0.6493615 -1.5476263 8 O -1.1270914 0.1427385 0.0235602 0.1880296 -3.5070889 -0.3858976 -0.1017262 -0.6493615 -1.5476263 9 O -1.1270914 -0.1427385 0.0235602 -0.1880296 -3.5070889 0.3858976 -0.1017262 0.6493615 -1.5476263 10 O -1.1270914 0.1427385 0.0235602 0.1880296 -3.5070889 -0.3858976 -0.1017262 -0.6493615 -1.5476263 11 O -1.1270914 -0.1427385 -0.0235602 -0.1880296 -3.5070889 -0.3858976 0.1017262 -0.6493615 -1.5476263 12 O -1.1270914 0.1427385 -0.0235602 0.1880296 -3.5070889 0.3858976 0.1017262 0.6493615 -1.5476263 13 O -4.6007723 0.0000000 -0.2422283 0.0000000 -1.1009791 0.0000000 0.2619789 0.0000000 -1.0584847 14 O -4.6007723 0.0000000 -0.2422283 0.0000000 -1.1009791 0.0000000 0.2619789 0.0000000 -1.0584847 15 O -4.6007723 0.0000000 0.2422283 0.0000000 -1.1009791 0.0000000 -0.2619789 0.0000000 -1.0584847 16 O -4.6007723 0.0000000 0.2422283 0.0000000 -1.1009791 0.0000000 -0.2619789 0.0000000 -1.0584847 17 O -1.8540037 0.0000000 -0.9951153 0.0000000 -1.3455224 0.0000000 -0.6148526 0.0000000 -2.7231534 18 O -1.8540037 0.0000000 -0.9951153 0.0000000 -1.3455224 0.0000000 -0.6148526 0.0000000 -2.7231534 19 O -1.8540037 0.0000000 0.9951153 0.0000000 -1.3455224 0.0000000 0.6148526 0.0000000 -2.7231534 20 O -1.8540037 0.0000000 0.9951153 0.0000000 -1.3455224 0.0000000 0.6148526 0.0000000 -2.7231534 21 O -2.3167079 0.0000000 -1.6533323 0.0000000 -1.1862401 0.0000000 -1.1051148 0.0000000 -2.6099272 22 O -2.3167079 0.0000000 -1.6533323 0.0000000 -1.1862401 0.0000000 -1.1051148 0.0000000 -2.6099272 23 O -2.3167079 0.0000000 1.6533323 0.0000000 -1.1862401 0.0000000 1.1051148 0.0000000 -2.6099272 24 O -2.3167079 0.0000000 1.6533323 0.0000000 -1.1862401 0.0000000 1.1051148 0.0000000 -2.6099272 25 Ti 5.8869117 0.0000000 -0.9038615 0.0000000 4.9859468 0.0000000 -0.4040042 0.0000000 4.1217585 26 Ti 5.8869117 0.0000000 -0.9038615 0.0000000 4.9859468 0.0000000 -0.4040042 0.0000000 4.1217585 27 Ti 5.8869117 0.0000000 0.9038615 0.0000000 4.9859468 0.0000000 0.4040042 0.0000000 4.1217585 28 Ti 5.8869117 0.0000000 0.9038615 0.0000000 4.9859468 0.0000000 0.4040042 0.0000000 4.1217585 29 As 3.8926272 0.0000000 -0.1941501 0.0000000 4.5951039 0.0000000 0.0919233 0.0000000 4.0598532 30 As 3.8926272 0.0000000 -0.1941501 0.0000000 4.5951039 0.0000000 0.0919233 0.0000000 4.0598532 31 As 3.8926272 0.0000000 0.1941501 0.0000000 4.5951039 0.0000000 -0.0919233 0.0000000 4.0598532 32 As 3.8926272 0.0000000 0.1941501 0.0000000 4.5951039 0.0000000 -0.0919233 0.0000000 4.0598532 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2483 Number of blocks in projector: 2483 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: 614 Use submatrix version of eigh solver. (1) Block: 500 / 614 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 614 / 614 (1) 104 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 414 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 414 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 347 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 347 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 347 Use standard eigh solver. Tree of FC basis block matrices: - (2483, 2440), data: False |-- (347, 340), data: True |-- (347, 340), data: True |-- (347, 340), data: True |-- (414, 410), data: True |-- (414, 410), data: True |-- (614, 600), data: False |-- (614, 10), data: (614, 24) @ (24, 10) |-- (114, 104), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 236), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 480 - Time: 0.968 Solver_block: 200 / 480 - Time: 1.053 Solver_block: 300 / 480 - Time: 0.934 Solver_block: 400 / 480 - Time: 0.788 Solver_block: 480 / 480 - Time: 0.691 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.037 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xz) 0.00000000 (xz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2483 Number of blocks in projector: 2483 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: 614 Use submatrix version of eigh solver. (1) Block: 500 / 614 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 614 / 614 (1) 104 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 414 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 414 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 347 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 347 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 347 Use standard eigh solver. Tree of FC basis block matrices: - (2483, 2440), data: False |-- (347, 340), data: True |-- (347, 340), data: True |-- (347, 340), data: True |-- (414, 410), data: True |-- (414, 410), data: True |-- (614, 600), data: False |-- (614, 10), data: (614, 24) @ (24, 10) |-- (114, 104), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 236), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:13:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:13:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.468580029999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.593691599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.463869850000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 3 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 5 O 0.62605289991748 0.95428264164640 0.23456701161638 15.999 6 O 0.12605289991748 0.54571735835360 0.26543298838362 15.999 7 O 0.87394710008252 0.04571735835360 0.73456701161638 15.999 8 O 0.37394710008252 0.45428264164640 0.76543298838362 15.999 9 O 0.37394710008252 0.04571735835360 0.76543298838362 15.999 10 O 0.62605289991748 0.54571735835360 0.23456701161638 15.999 11 O 0.12605289991748 0.95428264164640 0.26543298838362 15.999 12 O 0.87394710008252 0.45428264164640 0.73456701161638 15.999 13 O 0.11336302251393 0.75000000000000 0.66829373248266 15.999 14 O 0.88663697748606 0.25000000000000 0.33170626751734 15.999 15 O 0.38663697748607 0.25000000000000 0.16829373248266 15.999 16 O 0.61336302251394 0.75000000000000 0.83170626751734 15.999 17 O 0.81347861549942 0.75000000000000 0.49938908194569 15.999 18 O 0.18652138450058 0.25000000000000 0.50061091805431 15.999 19 O 0.68652138450058 0.25000000000000 0.99938908194569 15.999 20 O 0.31347861549942 0.75000000000000 0.00061091805431 15.999 21 O 0.06473402371554 0.25000000000000 0.98988743844093 15.999 22 O 0.93526597628446 0.75000000000000 0.01011256155907 15.999 23 O 0.43526597628446 0.75000000000000 0.48988743844093 15.999 24 O 0.56473402371554 0.25000000000000 0.51011256155907 15.999 25 Ti 0.33789162367354 0.75000000000000 0.72509481536480 47.867 26 Ti 0.66210837632646 0.25000000000000 0.27490518463520 47.867 27 Ti 0.16210837632646 0.25000000000000 0.22509481536480 47.867 28 Ti 0.83789162367354 0.75000000000000 0.77490518463520 47.867 29 As 0.37315138125190 0.25000000000000 0.63061051028787 74.922 30 As 0.62684861874810 0.75000000000000 0.36938948971213 74.922 31 As 0.12684861874810 0.75000000000000 0.13061051028787 74.922 32 As 0.87315138125190 0.25000000000000 0.86938948971213 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.468580029999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.187383199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.927739700000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 1 5 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 5 6 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 5 7 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 5 8 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 5 9 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 9 10 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 9 11 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 9 12 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 9 13 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 13 14 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 13 15 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 13 16 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 13 17 O 0.62605289991748 0.47714132082320 0.11728350580819 15.999 > 17 18 O 0.62605289991748 0.97714132082320 0.11728350580819 15.999 > 17 19 O 0.62605289991748 0.47714132082320 0.61728350580819 15.999 > 17 20 O 0.62605289991748 0.97714132082320 0.61728350580819 15.999 > 17 21 O 0.12605289991748 0.27285867917680 0.13271649419181 15.999 > 21 22 O 0.12605289991748 0.77285867917680 0.13271649419181 15.999 > 21 23 O 0.12605289991748 0.27285867917680 0.63271649419181 15.999 > 21 24 O 0.12605289991748 0.77285867917680 0.63271649419181 15.999 > 21 25 O 0.87394710008252 0.02285867917680 0.36728350580819 15.999 > 25 26 O 0.87394710008252 0.52285867917680 0.36728350580819 15.999 > 25 27 O 0.87394710008252 0.02285867917680 0.86728350580819 15.999 > 25 28 O 0.87394710008252 0.52285867917680 0.86728350580819 15.999 > 25 29 O 0.37394710008252 0.22714132082320 0.38271649419181 15.999 > 29 30 O 0.37394710008252 0.72714132082320 0.38271649419181 15.999 > 29 31 O 0.37394710008252 0.22714132082320 0.88271649419181 15.999 > 29 32 O 0.37394710008252 0.72714132082320 0.88271649419181 15.999 > 29 33 O 0.37394710008252 0.02285867917680 0.38271649419181 15.999 > 33 34 O 0.37394710008252 0.52285867917680 0.38271649419181 15.999 > 33 35 O 0.37394710008252 0.02285867917680 0.88271649419181 15.999 > 33 36 O 0.37394710008252 0.52285867917680 0.88271649419181 15.999 > 33 37 O 0.62605289991748 0.27285867917680 0.11728350580819 15.999 > 37 38 O 0.62605289991748 0.77285867917680 0.11728350580819 15.999 > 37 39 O 0.62605289991748 0.27285867917680 0.61728350580819 15.999 > 37 40 O 0.62605289991748 0.77285867917680 0.61728350580819 15.999 > 37 41 O 0.12605289991748 0.47714132082320 0.13271649419181 15.999 > 41 42 O 0.12605289991748 0.97714132082320 0.13271649419181 15.999 > 41 43 O 0.12605289991748 0.47714132082320 0.63271649419181 15.999 > 41 44 O 0.12605289991748 0.97714132082320 0.63271649419181 15.999 > 41 45 O 0.87394710008252 0.22714132082320 0.36728350580819 15.999 > 45 46 O 0.87394710008252 0.72714132082320 0.36728350580819 15.999 > 45 47 O 0.87394710008252 0.22714132082320 0.86728350580819 15.999 > 45 48 O 0.87394710008252 0.72714132082320 0.86728350580819 15.999 > 45 49 O 0.11336302251393 0.37500000000000 0.33414686624133 15.999 > 49 50 O 0.11336302251393 0.87500000000000 0.33414686624133 15.999 > 49 51 O 0.11336302251393 0.37500000000000 0.83414686624133 15.999 > 49 52 O 0.11336302251393 0.87500000000000 0.83414686624133 15.999 > 49 53 O 0.88663697748606 0.12500000000000 0.16585313375867 15.999 > 53 54 O 0.88663697748606 0.62500000000000 0.16585313375867 15.999 > 53 55 O 0.88663697748606 0.12500000000000 0.66585313375867 15.999 > 53 56 O 0.88663697748606 0.62500000000000 0.66585313375867 15.999 > 53 57 O 0.38663697748607 0.12500000000000 0.08414686624133 15.999 > 57 58 O 0.38663697748607 0.62500000000000 0.08414686624133 15.999 > 57 59 O 0.38663697748607 0.12500000000000 0.58414686624133 15.999 > 57 60 O 0.38663697748607 0.62500000000000 0.58414686624133 15.999 > 57 61 O 0.61336302251394 0.37500000000000 0.41585313375867 15.999 > 61 62 O 0.61336302251394 0.87500000000000 0.41585313375867 15.999 > 61 63 O 0.61336302251394 0.37500000000000 0.91585313375867 15.999 > 61 64 O 0.61336302251394 0.87500000000000 0.91585313375867 15.999 > 61 65 O 0.81347861549942 0.37500000000000 0.24969454097285 15.999 > 65 66 O 0.81347861549942 0.87500000000000 0.24969454097285 15.999 > 65 67 O 0.81347861549942 0.37500000000000 0.74969454097285 15.999 > 65 68 O 0.81347861549942 0.87500000000000 0.74969454097285 15.999 > 65 69 O 0.18652138450058 0.12500000000000 0.25030545902715 15.999 > 69 70 O 0.18652138450058 0.62500000000000 0.25030545902715 15.999 > 69 71 O 0.18652138450058 0.12500000000000 0.75030545902715 15.999 > 69 72 O 0.18652138450058 0.62500000000000 0.75030545902715 15.999 > 69 73 O 0.68652138450058 0.12500000000000 0.49969454097285 15.999 > 73 74 O 0.68652138450058 0.62500000000000 0.49969454097285 15.999 > 73 75 O 0.68652138450058 0.12500000000000 0.99969454097285 15.999 > 73 76 O 0.68652138450058 0.62500000000000 0.99969454097285 15.999 > 73 77 O 0.31347861549942 0.37500000000000 0.00030545902715 15.999 > 77 78 O 0.31347861549942 0.87500000000000 0.00030545902715 15.999 > 77 79 O 0.31347861549942 0.37500000000000 0.50030545902715 15.999 > 77 80 O 0.31347861549942 0.87500000000000 0.50030545902715 15.999 > 77 81 O 0.06473402371554 0.12500000000000 0.49494371922046 15.999 > 81 82 O 0.06473402371554 0.62500000000000 0.49494371922046 15.999 > 81 83 O 0.06473402371554 0.12500000000000 0.99494371922046 15.999 > 81 84 O 0.06473402371554 0.62500000000000 0.99494371922046 15.999 > 81 85 O 0.93526597628446 0.37500000000000 0.00505628077953 15.999 > 85 86 O 0.93526597628446 0.87500000000000 0.00505628077953 15.999 > 85 87 O 0.93526597628446 0.37500000000000 0.50505628077954 15.999 > 85 88 O 0.93526597628446 0.87500000000000 0.50505628077954 15.999 > 85 89 O 0.43526597628446 0.37500000000000 0.24494371922046 15.999 > 89 90 O 0.43526597628446 0.87500000000000 0.24494371922046 15.999 > 89 91 O 0.43526597628446 0.37500000000000 0.74494371922046 15.999 > 89 92 O 0.43526597628446 0.87500000000000 0.74494371922046 15.999 > 89 93 O 0.56473402371554 0.12500000000000 0.25505628077954 15.999 > 93 94 O 0.56473402371554 0.62500000000000 0.25505628077954 15.999 > 93 95 O 0.56473402371554 0.12500000000000 0.75505628077954 15.999 > 93 96 O 0.56473402371554 0.62500000000000 0.75505628077954 15.999 > 93 97 Ti 0.33789162367354 0.37500000000000 0.36254740768240 47.867 > 97 98 Ti 0.33789162367354 0.87500000000000 0.36254740768240 47.867 > 97 99 Ti 0.33789162367354 0.37500000000000 0.86254740768240 47.867 > 97 100 Ti 0.33789162367354 0.87500000000000 0.86254740768240 47.867 > 97 101 Ti 0.66210837632646 0.12500000000000 0.13745259231760 47.867 > 101 102 Ti 0.66210837632646 0.62500000000000 0.13745259231760 47.867 > 101 103 Ti 0.66210837632646 0.12500000000000 0.63745259231760 47.867 > 101 104 Ti 0.66210837632646 0.62500000000000 0.63745259231760 47.867 > 101 105 Ti 0.16210837632646 0.12500000000000 0.11254740768240 47.867 > 105 106 Ti 0.16210837632646 0.62500000000000 0.11254740768240 47.867 > 105 107 Ti 0.16210837632646 0.12500000000000 0.61254740768240 47.867 > 105 108 Ti 0.16210837632646 0.62500000000000 0.61254740768240 47.867 > 105 109 Ti 0.83789162367354 0.37500000000000 0.38745259231760 47.867 > 109 110 Ti 0.83789162367354 0.87500000000000 0.38745259231760 47.867 > 109 111 Ti 0.83789162367354 0.37500000000000 0.88745259231760 47.867 > 109 112 Ti 0.83789162367354 0.87500000000000 0.88745259231760 47.867 > 109 113 As 0.37315138125190 0.12500000000000 0.31530525514394 74.922 > 113 114 As 0.37315138125190 0.62500000000000 0.31530525514394 74.922 > 113 115 As 0.37315138125190 0.12500000000000 0.81530525514394 74.922 > 113 116 As 0.37315138125190 0.62500000000000 0.81530525514394 74.922 > 113 117 As 0.62684861874810 0.37500000000000 0.18469474485606 74.922 > 117 118 As 0.62684861874810 0.87500000000000 0.18469474485606 74.922 > 117 119 As 0.62684861874810 0.37500000000000 0.68469474485606 74.922 > 117 120 As 0.62684861874810 0.87500000000000 0.68469474485606 74.922 > 117 121 As 0.12684861874810 0.37500000000000 0.06530525514394 74.922 > 121 122 As 0.12684861874810 0.87500000000000 0.06530525514394 74.922 > 121 123 As 0.12684861874810 0.37500000000000 0.56530525514394 74.922 > 121 124 As 0.12684861874810 0.87500000000000 0.56530525514394 74.922 > 121 125 As 0.87315138125190 0.12500000000000 0.43469474485606 74.922 > 125 126 As 0.87315138125190 0.62500000000000 0.43469474485606 74.922 > 125 127 As 0.87315138125190 0.12500000000000 0.93469474485606 74.922 > 125 128 As 0.87315138125190 0.62500000000000 0.93469474485606 74.922 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5277895 0.0000000 0.0000000 0.0000000 3.9946062 0.0000000 0.0000000 0.0000000 3.7949015 -------------------------- Born effective charges -------------------------- 1 Li 1.2461278 -0.0854497 0.1353141 0.0149341 1.0658686 -0.0716548 -0.2801742 -0.1391090 1.3052062 2 Li 1.2461278 0.0854497 -0.1353141 -0.0149341 1.0658686 -0.0716548 0.2801742 -0.1391090 1.3052062 3 Li 1.2461278 -0.0854497 -0.1353141 0.0149341 1.0658686 0.0716548 0.2801742 0.1391090 1.3052062 4 Li 1.2461278 0.0854497 0.1353141 -0.0149341 1.0658686 0.0716548 -0.2801742 0.1391090 1.3052062 5 O -1.1270914 -0.1427385 0.0235602 -0.1880296 -3.5070889 0.3858976 -0.1017262 0.6493615 -1.5476263 6 O -1.1270914 0.1427385 -0.0235602 0.1880296 -3.5070889 0.3858976 0.1017262 0.6493615 -1.5476263 7 O -1.1270914 -0.1427385 -0.0235602 -0.1880296 -3.5070889 -0.3858976 0.1017262 -0.6493615 -1.5476263 8 O -1.1270914 0.1427385 0.0235602 0.1880296 -3.5070889 -0.3858976 -0.1017262 -0.6493615 -1.5476263 9 O -1.1270914 -0.1427385 0.0235602 -0.1880296 -3.5070889 0.3858976 -0.1017262 0.6493615 -1.5476263 10 O -1.1270914 0.1427385 0.0235602 0.1880296 -3.5070889 -0.3858976 -0.1017262 -0.6493615 -1.5476263 11 O -1.1270914 -0.1427385 -0.0235602 -0.1880296 -3.5070889 -0.3858976 0.1017262 -0.6493615 -1.5476263 12 O -1.1270914 0.1427385 -0.0235602 0.1880296 -3.5070889 0.3858976 0.1017262 0.6493615 -1.5476263 13 O -4.6007723 0.0000000 -0.2422283 0.0000000 -1.1009791 0.0000000 0.2619789 0.0000000 -1.0584847 14 O -4.6007723 0.0000000 -0.2422283 0.0000000 -1.1009791 0.0000000 0.2619789 0.0000000 -1.0584847 15 O -4.6007723 0.0000000 0.2422283 0.0000000 -1.1009791 0.0000000 -0.2619789 0.0000000 -1.0584847 16 O -4.6007723 0.0000000 0.2422283 0.0000000 -1.1009791 0.0000000 -0.2619789 0.0000000 -1.0584847 17 O -1.8540037 0.0000000 -0.9951153 0.0000000 -1.3455224 0.0000000 -0.6148526 0.0000000 -2.7231534 18 O -1.8540037 0.0000000 -0.9951153 0.0000000 -1.3455224 0.0000000 -0.6148526 0.0000000 -2.7231534 19 O -1.8540037 0.0000000 0.9951153 0.0000000 -1.3455224 0.0000000 0.6148526 0.0000000 -2.7231534 20 O -1.8540037 0.0000000 0.9951153 0.0000000 -1.3455224 0.0000000 0.6148526 0.0000000 -2.7231534 21 O -2.3167079 0.0000000 -1.6533323 0.0000000 -1.1862401 0.0000000 -1.1051148 0.0000000 -2.6099272 22 O -2.3167079 0.0000000 -1.6533323 0.0000000 -1.1862401 0.0000000 -1.1051148 0.0000000 -2.6099272 23 O -2.3167079 0.0000000 1.6533323 0.0000000 -1.1862401 0.0000000 1.1051148 0.0000000 -2.6099272 24 O -2.3167079 0.0000000 1.6533323 0.0000000 -1.1862401 0.0000000 1.1051148 0.0000000 -2.6099272 25 Ti 5.8869117 0.0000000 -0.9038615 0.0000000 4.9859468 0.0000000 -0.4040042 0.0000000 4.1217585 26 Ti 5.8869117 0.0000000 -0.9038615 0.0000000 4.9859468 0.0000000 -0.4040042 0.0000000 4.1217585 27 Ti 5.8869117 0.0000000 0.9038615 0.0000000 4.9859468 0.0000000 0.4040042 0.0000000 4.1217585 28 Ti 5.8869117 0.0000000 0.9038615 0.0000000 4.9859468 0.0000000 0.4040042 0.0000000 4.1217585 29 As 3.8926272 0.0000000 -0.1941501 0.0000000 4.5951039 0.0000000 0.0919233 0.0000000 4.0598532 30 As 3.8926272 0.0000000 -0.1941501 0.0000000 4.5951039 0.0000000 0.0919233 0.0000000 4.0598532 31 As 3.8926272 0.0000000 0.1941501 0.0000000 4.5951039 0.0000000 -0.0919233 0.0000000 4.0598532 32 As 3.8926272 0.0000000 0.1941501 0.0000000 4.5951039 0.0000000 -0.0919233 0.0000000 4.0598532 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, 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: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:14:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:14:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.468580029999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.593691599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.463869850000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 3 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 5 O 0.62605289991748 0.95428264164640 0.23456701161638 15.999 6 O 0.12605289991748 0.54571735835360 0.26543298838362 15.999 7 O 0.87394710008252 0.04571735835360 0.73456701161638 15.999 8 O 0.37394710008252 0.45428264164640 0.76543298838362 15.999 9 O 0.37394710008252 0.04571735835360 0.76543298838362 15.999 10 O 0.62605289991748 0.54571735835360 0.23456701161638 15.999 11 O 0.12605289991748 0.95428264164640 0.26543298838362 15.999 12 O 0.87394710008252 0.45428264164640 0.73456701161638 15.999 13 O 0.11336302251393 0.75000000000000 0.66829373248266 15.999 14 O 0.88663697748606 0.25000000000000 0.33170626751734 15.999 15 O 0.38663697748607 0.25000000000000 0.16829373248266 15.999 16 O 0.61336302251394 0.75000000000000 0.83170626751734 15.999 17 O 0.81347861549942 0.75000000000000 0.49938908194569 15.999 18 O 0.18652138450058 0.25000000000000 0.50061091805431 15.999 19 O 0.68652138450058 0.25000000000000 0.99938908194569 15.999 20 O 0.31347861549942 0.75000000000000 0.00061091805431 15.999 21 O 0.06473402371554 0.25000000000000 0.98988743844093 15.999 22 O 0.93526597628446 0.75000000000000 0.01011256155907 15.999 23 O 0.43526597628446 0.75000000000000 0.48988743844093 15.999 24 O 0.56473402371554 0.25000000000000 0.51011256155907 15.999 25 Ti 0.33789162367354 0.75000000000000 0.72509481536480 47.867 26 Ti 0.66210837632646 0.25000000000000 0.27490518463520 47.867 27 Ti 0.16210837632646 0.25000000000000 0.22509481536480 47.867 28 Ti 0.83789162367354 0.75000000000000 0.77490518463520 47.867 29 As 0.37315138125190 0.25000000000000 0.63061051028787 74.922 30 As 0.62684861874810 0.75000000000000 0.36938948971213 74.922 31 As 0.12684861874810 0.75000000000000 0.13061051028787 74.922 32 As 0.87315138125190 0.25000000000000 0.86938948971213 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.468580029999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.187383199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.927739700000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 1 5 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 5 6 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 5 7 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 5 8 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 5 9 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 9 10 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 9 11 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 9 12 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 9 13 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 13 14 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 13 15 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 13 16 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 13 17 O 0.62605289991748 0.47714132082320 0.11728350580819 15.999 > 17 18 O 0.62605289991748 0.97714132082320 0.11728350580819 15.999 > 17 19 O 0.62605289991748 0.47714132082320 0.61728350580819 15.999 > 17 20 O 0.62605289991748 0.97714132082320 0.61728350580819 15.999 > 17 21 O 0.12605289991748 0.27285867917680 0.13271649419181 15.999 > 21 22 O 0.12605289991748 0.77285867917680 0.13271649419181 15.999 > 21 23 O 0.12605289991748 0.27285867917680 0.63271649419181 15.999 > 21 24 O 0.12605289991748 0.77285867917680 0.63271649419181 15.999 > 21 25 O 0.87394710008252 0.02285867917680 0.36728350580819 15.999 > 25 26 O 0.87394710008252 0.52285867917680 0.36728350580819 15.999 > 25 27 O 0.87394710008252 0.02285867917680 0.86728350580819 15.999 > 25 28 O 0.87394710008252 0.52285867917680 0.86728350580819 15.999 > 25 29 O 0.37394710008252 0.22714132082320 0.38271649419181 15.999 > 29 30 O 0.37394710008252 0.72714132082320 0.38271649419181 15.999 > 29 31 O 0.37394710008252 0.22714132082320 0.88271649419181 15.999 > 29 32 O 0.37394710008252 0.72714132082320 0.88271649419181 15.999 > 29 33 O 0.37394710008252 0.02285867917680 0.38271649419181 15.999 > 33 34 O 0.37394710008252 0.52285867917680 0.38271649419181 15.999 > 33 35 O 0.37394710008252 0.02285867917680 0.88271649419181 15.999 > 33 36 O 0.37394710008252 0.52285867917680 0.88271649419181 15.999 > 33 37 O 0.62605289991748 0.27285867917680 0.11728350580819 15.999 > 37 38 O 0.62605289991748 0.77285867917680 0.11728350580819 15.999 > 37 39 O 0.62605289991748 0.27285867917680 0.61728350580819 15.999 > 37 40 O 0.62605289991748 0.77285867917680 0.61728350580819 15.999 > 37 41 O 0.12605289991748 0.47714132082320 0.13271649419181 15.999 > 41 42 O 0.12605289991748 0.97714132082320 0.13271649419181 15.999 > 41 43 O 0.12605289991748 0.47714132082320 0.63271649419181 15.999 > 41 44 O 0.12605289991748 0.97714132082320 0.63271649419181 15.999 > 41 45 O 0.87394710008252 0.22714132082320 0.36728350580819 15.999 > 45 46 O 0.87394710008252 0.72714132082320 0.36728350580819 15.999 > 45 47 O 0.87394710008252 0.22714132082320 0.86728350580819 15.999 > 45 48 O 0.87394710008252 0.72714132082320 0.86728350580819 15.999 > 45 49 O 0.11336302251393 0.37500000000000 0.33414686624133 15.999 > 49 50 O 0.11336302251393 0.87500000000000 0.33414686624133 15.999 > 49 51 O 0.11336302251393 0.37500000000000 0.83414686624133 15.999 > 49 52 O 0.11336302251393 0.87500000000000 0.83414686624133 15.999 > 49 53 O 0.88663697748606 0.12500000000000 0.16585313375867 15.999 > 53 54 O 0.88663697748606 0.62500000000000 0.16585313375867 15.999 > 53 55 O 0.88663697748606 0.12500000000000 0.66585313375867 15.999 > 53 56 O 0.88663697748606 0.62500000000000 0.66585313375867 15.999 > 53 57 O 0.38663697748607 0.12500000000000 0.08414686624133 15.999 > 57 58 O 0.38663697748607 0.62500000000000 0.08414686624133 15.999 > 57 59 O 0.38663697748607 0.12500000000000 0.58414686624133 15.999 > 57 60 O 0.38663697748607 0.62500000000000 0.58414686624133 15.999 > 57 61 O 0.61336302251394 0.37500000000000 0.41585313375867 15.999 > 61 62 O 0.61336302251394 0.87500000000000 0.41585313375867 15.999 > 61 63 O 0.61336302251394 0.37500000000000 0.91585313375867 15.999 > 61 64 O 0.61336302251394 0.87500000000000 0.91585313375867 15.999 > 61 65 O 0.81347861549942 0.37500000000000 0.24969454097285 15.999 > 65 66 O 0.81347861549942 0.87500000000000 0.24969454097285 15.999 > 65 67 O 0.81347861549942 0.37500000000000 0.74969454097285 15.999 > 65 68 O 0.81347861549942 0.87500000000000 0.74969454097285 15.999 > 65 69 O 0.18652138450058 0.12500000000000 0.25030545902715 15.999 > 69 70 O 0.18652138450058 0.62500000000000 0.25030545902715 15.999 > 69 71 O 0.18652138450058 0.12500000000000 0.75030545902715 15.999 > 69 72 O 0.18652138450058 0.62500000000000 0.75030545902715 15.999 > 69 73 O 0.68652138450058 0.12500000000000 0.49969454097285 15.999 > 73 74 O 0.68652138450058 0.62500000000000 0.49969454097285 15.999 > 73 75 O 0.68652138450058 0.12500000000000 0.99969454097285 15.999 > 73 76 O 0.68652138450058 0.62500000000000 0.99969454097285 15.999 > 73 77 O 0.31347861549942 0.37500000000000 0.00030545902715 15.999 > 77 78 O 0.31347861549942 0.87500000000000 0.00030545902715 15.999 > 77 79 O 0.31347861549942 0.37500000000000 0.50030545902715 15.999 > 77 80 O 0.31347861549942 0.87500000000000 0.50030545902715 15.999 > 77 81 O 0.06473402371554 0.12500000000000 0.49494371922046 15.999 > 81 82 O 0.06473402371554 0.62500000000000 0.49494371922046 15.999 > 81 83 O 0.06473402371554 0.12500000000000 0.99494371922046 15.999 > 81 84 O 0.06473402371554 0.62500000000000 0.99494371922046 15.999 > 81 85 O 0.93526597628446 0.37500000000000 0.00505628077953 15.999 > 85 86 O 0.93526597628446 0.87500000000000 0.00505628077953 15.999 > 85 87 O 0.93526597628446 0.37500000000000 0.50505628077954 15.999 > 85 88 O 0.93526597628446 0.87500000000000 0.50505628077954 15.999 > 85 89 O 0.43526597628446 0.37500000000000 0.24494371922046 15.999 > 89 90 O 0.43526597628446 0.87500000000000 0.24494371922046 15.999 > 89 91 O 0.43526597628446 0.37500000000000 0.74494371922046 15.999 > 89 92 O 0.43526597628446 0.87500000000000 0.74494371922046 15.999 > 89 93 O 0.56473402371554 0.12500000000000 0.25505628077954 15.999 > 93 94 O 0.56473402371554 0.62500000000000 0.25505628077954 15.999 > 93 95 O 0.56473402371554 0.12500000000000 0.75505628077954 15.999 > 93 96 O 0.56473402371554 0.62500000000000 0.75505628077954 15.999 > 93 97 Ti 0.33789162367354 0.37500000000000 0.36254740768240 47.867 > 97 98 Ti 0.33789162367354 0.87500000000000 0.36254740768240 47.867 > 97 99 Ti 0.33789162367354 0.37500000000000 0.86254740768240 47.867 > 97 100 Ti 0.33789162367354 0.87500000000000 0.86254740768240 47.867 > 97 101 Ti 0.66210837632646 0.12500000000000 0.13745259231760 47.867 > 101 102 Ti 0.66210837632646 0.62500000000000 0.13745259231760 47.867 > 101 103 Ti 0.66210837632646 0.12500000000000 0.63745259231760 47.867 > 101 104 Ti 0.66210837632646 0.62500000000000 0.63745259231760 47.867 > 101 105 Ti 0.16210837632646 0.12500000000000 0.11254740768240 47.867 > 105 106 Ti 0.16210837632646 0.62500000000000 0.11254740768240 47.867 > 105 107 Ti 0.16210837632646 0.12500000000000 0.61254740768240 47.867 > 105 108 Ti 0.16210837632646 0.62500000000000 0.61254740768240 47.867 > 105 109 Ti 0.83789162367354 0.37500000000000 0.38745259231760 47.867 > 109 110 Ti 0.83789162367354 0.87500000000000 0.38745259231760 47.867 > 109 111 Ti 0.83789162367354 0.37500000000000 0.88745259231760 47.867 > 109 112 Ti 0.83789162367354 0.87500000000000 0.88745259231760 47.867 > 109 113 As 0.37315138125190 0.12500000000000 0.31530525514394 74.922 > 113 114 As 0.37315138125190 0.62500000000000 0.31530525514394 74.922 > 113 115 As 0.37315138125190 0.12500000000000 0.81530525514394 74.922 > 113 116 As 0.37315138125190 0.62500000000000 0.81530525514394 74.922 > 113 117 As 0.62684861874810 0.37500000000000 0.18469474485606 74.922 > 117 118 As 0.62684861874810 0.87500000000000 0.18469474485606 74.922 > 117 119 As 0.62684861874810 0.37500000000000 0.68469474485606 74.922 > 117 120 As 0.62684861874810 0.87500000000000 0.68469474485606 74.922 > 117 121 As 0.12684861874810 0.37500000000000 0.06530525514394 74.922 > 121 122 As 0.12684861874810 0.87500000000000 0.06530525514394 74.922 > 121 123 As 0.12684861874810 0.37500000000000 0.56530525514394 74.922 > 121 124 As 0.12684861874810 0.87500000000000 0.56530525514394 74.922 > 121 125 As 0.87315138125190 0.12500000000000 0.43469474485606 74.922 > 125 126 As 0.87315138125190 0.62500000000000 0.43469474485606 74.922 > 125 127 As 0.87315138125190 0.12500000000000 0.93469474485606 74.922 > 125 128 As 0.87315138125190 0.62500000000000 0.93469474485606 74.922 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5277895 0.0000000 0.0000000 0.0000000 3.9946062 0.0000000 0.0000000 0.0000000 3.7949015 -------------------------- Born effective charges -------------------------- 1 Li 1.2461278 -0.0854497 0.1353141 0.0149341 1.0658686 -0.0716548 -0.2801742 -0.1391090 1.3052062 2 Li 1.2461278 0.0854497 -0.1353141 -0.0149341 1.0658686 -0.0716548 0.2801742 -0.1391090 1.3052062 3 Li 1.2461278 -0.0854497 -0.1353141 0.0149341 1.0658686 0.0716548 0.2801742 0.1391090 1.3052062 4 Li 1.2461278 0.0854497 0.1353141 -0.0149341 1.0658686 0.0716548 -0.2801742 0.1391090 1.3052062 5 O -1.1270914 -0.1427385 0.0235602 -0.1880296 -3.5070889 0.3858976 -0.1017262 0.6493615 -1.5476263 6 O -1.1270914 0.1427385 -0.0235602 0.1880296 -3.5070889 0.3858976 0.1017262 0.6493615 -1.5476263 7 O -1.1270914 -0.1427385 -0.0235602 -0.1880296 -3.5070889 -0.3858976 0.1017262 -0.6493615 -1.5476263 8 O -1.1270914 0.1427385 0.0235602 0.1880296 -3.5070889 -0.3858976 -0.1017262 -0.6493615 -1.5476263 9 O -1.1270914 -0.1427385 0.0235602 -0.1880296 -3.5070889 0.3858976 -0.1017262 0.6493615 -1.5476263 10 O -1.1270914 0.1427385 0.0235602 0.1880296 -3.5070889 -0.3858976 -0.1017262 -0.6493615 -1.5476263 11 O -1.1270914 -0.1427385 -0.0235602 -0.1880296 -3.5070889 -0.3858976 0.1017262 -0.6493615 -1.5476263 12 O -1.1270914 0.1427385 -0.0235602 0.1880296 -3.5070889 0.3858976 0.1017262 0.6493615 -1.5476263 13 O -4.6007723 0.0000000 -0.2422283 0.0000000 -1.1009791 0.0000000 0.2619789 0.0000000 -1.0584847 14 O -4.6007723 0.0000000 -0.2422283 0.0000000 -1.1009791 0.0000000 0.2619789 0.0000000 -1.0584847 15 O -4.6007723 0.0000000 0.2422283 0.0000000 -1.1009791 0.0000000 -0.2619789 0.0000000 -1.0584847 16 O -4.6007723 0.0000000 0.2422283 0.0000000 -1.1009791 0.0000000 -0.2619789 0.0000000 -1.0584847 17 O -1.8540037 0.0000000 -0.9951153 0.0000000 -1.3455224 0.0000000 -0.6148526 0.0000000 -2.7231534 18 O -1.8540037 0.0000000 -0.9951153 0.0000000 -1.3455224 0.0000000 -0.6148526 0.0000000 -2.7231534 19 O -1.8540037 0.0000000 0.9951153 0.0000000 -1.3455224 0.0000000 0.6148526 0.0000000 -2.7231534 20 O -1.8540037 0.0000000 0.9951153 0.0000000 -1.3455224 0.0000000 0.6148526 0.0000000 -2.7231534 21 O -2.3167079 0.0000000 -1.6533323 0.0000000 -1.1862401 0.0000000 -1.1051148 0.0000000 -2.6099272 22 O -2.3167079 0.0000000 -1.6533323 0.0000000 -1.1862401 0.0000000 -1.1051148 0.0000000 -2.6099272 23 O -2.3167079 0.0000000 1.6533323 0.0000000 -1.1862401 0.0000000 1.1051148 0.0000000 -2.6099272 24 O -2.3167079 0.0000000 1.6533323 0.0000000 -1.1862401 0.0000000 1.1051148 0.0000000 -2.6099272 25 Ti 5.8869117 0.0000000 -0.9038615 0.0000000 4.9859468 0.0000000 -0.4040042 0.0000000 4.1217585 26 Ti 5.8869117 0.0000000 -0.9038615 0.0000000 4.9859468 0.0000000 -0.4040042 0.0000000 4.1217585 27 Ti 5.8869117 0.0000000 0.9038615 0.0000000 4.9859468 0.0000000 0.4040042 0.0000000 4.1217585 28 Ti 5.8869117 0.0000000 0.9038615 0.0000000 4.9859468 0.0000000 0.4040042 0.0000000 4.1217585 29 As 3.8926272 0.0000000 -0.1941501 0.0000000 4.5951039 0.0000000 0.0919233 0.0000000 4.0598532 30 As 3.8926272 0.0000000 -0.1941501 0.0000000 4.5951039 0.0000000 0.0919233 0.0000000 4.0598532 31 As 3.8926272 0.0000000 0.1941501 0.0000000 4.5951039 0.0000000 -0.0919233 0.0000000 4.0598532 32 As 3.8926272 0.0000000 0.1941501 0.0000000 4.5951039 0.0000000 -0.0919233 0.0000000 4.0598532 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 8 7 ] 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: 0.58, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| -0.000 ( 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 1.663 ( 0.000 0.000 0.000) 0.000 1.829 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 4.995 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.548 ( 0.000 0.000 0.000) 0.000 6.646 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 7.122 ( 0.000 0.000 0.000) 0.000 7.144 ( 0.000 0.000 0.000) 0.000 7.160 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.472 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 8.102 ( 0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.516 ( 0.000 0.000 0.000) 0.000 8.676 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 9.267 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.594 ( 0.000 0.000 0.000) 0.000 9.878 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 10.701 ( 0.000 0.000 0.000) 0.000 10.899 ( 0.000 0.000 0.000) 0.000 11.097 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 11.379 ( 0.000 0.000 0.000) 0.000 11.429 ( 0.000 0.000 0.000) 0.000 11.503 ( 0.000 0.000 0.000) 0.000 11.581 ( 0.000 0.000 0.000) 0.000 11.659 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 11.936 ( 0.000 0.000 0.000) 0.000 12.125 ( 0.000 0.000 0.000) 0.000 12.368 ( 0.000 0.000 0.000) 0.000 13.277 ( 0.000 0.000 0.000) 0.000 13.371 ( 0.000 0.000 0.000) 0.000 13.728 ( 0.000 0.000 0.000) 0.000 13.728 ( 0.000 0.000 0.000) 0.000 13.823 ( 0.000 0.000 0.000) 0.000 14.029 ( 0.000 0.000 0.000) 0.000 14.168 ( 0.000 0.000 0.000) 0.000 14.222 ( 0.000 0.000 0.000) 0.000 14.256 ( 0.000 0.000 0.000) 0.000 14.467 ( 0.000 0.000 0.000) 0.000 14.745 ( 0.000 0.000 0.000) 0.000 14.855 ( 0.000 0.000 0.000) 0.000 15.763 ( 0.000 0.000 0.000) 0.000 20.853 ( 0.000 0.000 0.000) 0.000 20.934 ( 0.000 0.000 0.000) 0.000 22.381 ( 0.000 0.000 0.000) 0.000 22.705 ( 0.000 0.000 0.000) 0.000 22.863 ( 0.000 0.000 0.000) 0.000 23.072 ( 0.000 0.000 0.000) 0.000 23.472 ( 0.000 0.000 0.000) 0.000 23.565 ( 0.000 0.000 0.000) 0.000 23.567 ( 0.000 0.000 0.000) 0.000 23.593 ( 0.000 0.000 0.000) 0.000 23.708 ( 0.000 0.000 0.000) 0.000 23.728 ( 0.000 0.000 0.000) 0.000 24.235 ( 0.000 0.000 0.000) 0.000 25.880 ( 0.000 0.000 0.000) 0.000 26.273 ( 0.000 0.000 0.000) 0.000 26.315 ( 0.000 0.000 0.000) 0.000 26.636 ( 0.000 0.000 0.000) 0.000 26.919 ( 0.000 0.000 0.000) 0.000 27.891 ( 0.000 0.000 0.000) 0.000 28.156 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 0.640 ( 32.932 0.000 0.000) 32.932 0.729 ( 38.012 0.000 0.000) 38.012 0.997 ( 52.428 0.000 0.000) 52.428 1.723 ( 7.202 0.000 0.000) 7.202 1.979 ( 13.173 0.000 0.000) 13.173 3.204 ( -9.819 0.000 0.000) 9.819 3.376 ( -1.990 0.000 0.000) 1.990 3.389 ( -5.940 0.000 0.000) 5.940 3.448 ( -4.125 0.000 0.000) 4.125 3.519 ( 5.717 0.000 0.000) 5.717 3.592 ( -12.053 0.000 0.000) 12.053 4.083 ( -8.416 0.000 0.000) 8.416 4.195 ( -12.351 0.000 0.000) 12.351 4.277 ( 7.986 0.000 0.000) 7.986 4.568 ( 7.302 0.000 0.000) 7.302 4.744 ( -0.502 0.000 0.000) 0.502 4.760 ( -10.335 0.000 0.000) 10.335 4.911 ( -8.350 0.000 0.000) 8.350 5.246 ( -0.732 0.000 0.000) 0.732 5.442 ( 8.096 0.000 0.000) 8.096 5.554 ( 1.856 0.000 0.000) 1.856 6.143 ( -12.031 0.000 0.000) 12.031 6.160 ( -4.569 0.000 0.000) 4.569 6.172 ( -5.110 0.000 0.000) 5.110 6.324 ( -15.108 0.000 0.000) 15.108 6.343 ( -9.117 0.000 0.000) 9.117 6.757 ( 2.544 0.000 0.000) 2.544 6.794 ( 0.325 0.000 0.000) 0.325 6.938 ( 17.121 0.000 0.000) 17.121 7.133 ( 1.105 0.000 0.000) 1.105 7.204 ( 4.109 0.000 0.000) 4.109 7.227 ( 3.835 0.000 0.000) 3.835 7.253 ( -0.597 0.000 0.000) 0.597 7.391 ( 2.633 0.000 0.000) 2.633 7.398 ( -3.639 0.000 0.000) 3.639 7.545 ( -11.794 0.000 0.000) 11.794 7.636 ( -2.807 0.000 0.000) 2.807 8.259 ( 4.593 0.000 0.000) 4.593 8.284 ( 14.399 0.000 0.000) 14.399 8.483 ( 7.460 0.000 0.000) 7.460 8.513 ( 2.712 0.000 0.000) 2.712 8.673 ( -0.193 0.000 0.000) 0.193 9.049 ( -13.768 0.000 0.000) 13.768 9.077 ( -1.958 0.000 0.000) 1.958 9.089 ( -10.544 0.000 0.000) 10.544 9.618 ( 16.256 0.000 0.000) 16.256 9.677 ( 8.245 0.000 0.000) 8.245 9.793 ( -7.964 0.000 0.000) 7.964 10.393 ( -0.531 0.000 0.000) 0.531 10.425 ( 11.053 0.000 0.000) 11.053 10.664 ( -3.826 0.000 0.000) 3.826 10.914 ( 1.325 0.000 0.000) 1.325 11.131 ( 3.324 0.000 0.000) 3.324 11.154 ( 4.074 0.000 0.000) 4.074 11.271 ( -10.298 0.000 0.000) 10.298 11.461 ( 3.231 0.000 0.000) 3.231 11.553 ( 5.070 0.000 0.000) 5.070 11.557 ( -2.536 0.000 0.000) 2.536 11.671 ( 1.154 0.000 0.000) 1.154 11.815 ( -0.548 0.000 0.000) 0.548 11.991 ( 4.619 0.000 0.000) 4.619 12.046 ( -7.856 0.000 0.000) 7.856 12.447 ( 7.470 0.000 0.000) 7.470 13.268 ( -0.574 0.000 0.000) 0.574 13.322 ( -4.889 0.000 0.000) 4.889 13.448 ( -12.638 0.000 0.000) 12.638 13.786 ( -3.907 0.000 0.000) 3.907 14.043 ( 15.595 0.000 0.000) 15.595 14.056 ( 2.610 0.000 0.000) 2.610 14.103 ( -11.231 0.000 0.000) 11.231 14.238 ( 1.589 0.000 0.000) 1.589 14.318 ( 0.514 0.000 0.000) 0.514 14.461 ( -0.663 0.000 0.000) 0.663 14.852 ( -0.414 0.000 0.000) 0.414 14.952 ( 7.919 0.000 0.000) 7.919 15.722 ( -4.134 0.000 0.000) 4.134 21.053 ( 19.789 0.000 0.000) 19.789 22.390 ( 0.897 0.000 0.000) 0.897 22.687 ( -1.790 0.000 0.000) 1.790 22.834 ( -3.180 0.000 0.000) 3.180 23.106 ( 3.645 0.000 0.000) 3.645 23.451 ( -2.056 0.000 0.000) 2.056 23.565 ( 0.011 0.000 0.000) 0.011 23.567 ( 0.052 0.000 0.000) 0.052 23.596 ( 0.362 0.000 0.000) 0.362 23.711 ( 0.604 0.000 0.000) 0.604 23.718 ( -0.997 0.000 0.000) 0.997 24.221 ( -1.564 0.000 0.000) 1.564 25.856 ( 0.486 0.000 0.000) 0.486 25.887 ( 0.615 0.000 0.000) 0.615 26.321 ( 0.704 0.000 0.000) 0.704 26.561 ( -5.196 0.000 0.000) 5.196 26.862 ( 7.405 0.000 0.000) 7.405 27.805 ( -8.470 0.000 0.000) 8.470 27.894 ( -2.227 0.000 0.000) 2.227 28.129 ( -2.959 0.000 0.000) 2.959 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 1.248 ( 30.205 0.000 0.000) 30.205 1.449 ( 36.919 0.000 0.000) 36.919 1.929 ( 13.089 0.000 0.000) 13.089 1.958 ( 44.847 0.000 0.000) 44.847 2.231 ( 10.570 0.000 0.000) 10.570 2.975 ( -14.060 0.000 0.000) 14.060 3.269 ( -4.923 0.000 0.000) 4.923 3.344 ( -1.158 0.000 0.000) 1.158 3.353 ( -11.689 0.000 0.000) 11.689 3.356 ( -6.001 0.000 0.000) 6.001 3.606 ( 3.164 0.000 0.000) 3.164 3.888 ( -15.501 0.000 0.000) 15.501 3.894 ( -10.239 0.000 0.000) 10.239 4.389 ( 2.583 0.000 0.000) 2.583 4.528 ( -11.832 0.000 0.000) 11.832 4.672 ( -15.334 0.000 0.000) 15.334 4.755 ( 11.925 0.000 0.000) 11.925 4.788 ( 5.014 0.000 0.000) 5.014 5.277 ( 2.149 0.000 0.000) 2.149 5.619 ( 5.059 0.000 0.000) 5.059 5.641 ( 12.017 0.000 0.000) 12.017 5.828 ( -23.790 0.000 0.000) 23.790 5.859 ( -14.001 0.000 0.000) 14.001 6.031 ( -8.787 0.000 0.000) 8.787 6.141 ( -12.099 0.000 0.000) 12.099 6.205 ( -3.487 0.000 0.000) 3.487 6.818 ( 3.488 0.000 0.000) 3.488 6.847 ( 3.559 0.000 0.000) 3.559 7.161 ( 1.733 0.000 0.000) 1.733 7.180 ( 2.369 0.000 0.000) 2.369 7.236 ( -1.170 0.000 0.000) 1.170 7.260 ( 0.086 0.000 0.000) 0.086 7.306 ( -5.546 0.000 0.000) 5.546 7.333 ( -9.274 0.000 0.000) 9.274 7.366 ( 18.158 0.000 0.000) 18.158 7.451 ( 2.725 0.000 0.000) 2.725 7.573 ( -3.311 0.000 0.000) 3.311 8.345 ( 2.625 0.000 0.000) 2.625 8.560 ( 13.350 0.000 0.000) 13.350 8.576 ( 3.555 0.000 0.000) 3.555 8.601 ( 2.354 0.000 0.000) 2.354 8.673 ( 0.211 0.000 0.000) 0.211 8.707 ( -19.444 0.000 0.000) 19.444 8.984 ( 1.899 0.000 0.000) 1.899 9.021 ( -3.864 0.000 0.000) 3.864 9.607 ( -10.920 0.000 0.000) 10.920 9.887 ( 12.980 0.000 0.000) 12.980 10.014 ( 24.635 0.000 0.000) 24.635 10.407 ( 2.682 0.000 0.000) 2.682 10.554 ( -7.589 0.000 0.000) 7.589 10.651 ( 11.306 0.000 0.000) 11.306 10.937 ( 0.643 0.000 0.000) 0.643 11.026 ( -14.479 0.000 0.000) 14.479 11.187 ( -2.999 0.000 0.000) 2.999 11.211 ( 4.800 0.000 0.000) 4.800 11.490 ( -4.231 0.000 0.000) 4.231 11.544 ( 5.083 0.000 0.000) 5.083 11.686 ( 8.499 0.000 0.000) 8.499 11.700 ( 1.814 0.000 0.000) 1.814 11.799 ( -1.116 0.000 0.000) 1.116 11.861 ( -9.828 0.000 0.000) 9.828 12.065 ( 1.599 0.000 0.000) 1.599 12.621 ( 10.114 0.000 0.000) 10.114 13.193 ( -8.281 0.000 0.000) 8.281 13.278 ( 2.207 0.000 0.000) 2.207 13.282 ( -3.791 0.000 0.000) 3.791 13.672 ( -7.969 0.000 0.000) 7.969 13.852 ( -14.228 0.000 0.000) 14.228 14.114 ( 3.111 0.000 0.000) 3.111 14.229 ( 1.061 0.000 0.000) 1.061 14.281 ( 2.754 0.000 0.000) 2.754 14.408 ( 11.549 0.000 0.000) 11.549 14.439 ( -1.693 0.000 0.000) 1.693 14.834 ( -1.784 0.000 0.000) 1.784 15.127 ( 9.674 0.000 0.000) 9.674 15.615 ( -6.817 0.000 0.000) 6.817 21.535 ( 28.177 0.000 0.000) 28.177 22.409 ( 0.641 0.000 0.000) 0.641 22.644 ( -2.564 0.000 0.000) 2.564 22.738 ( -6.777 0.000 0.000) 6.777 23.194 ( 5.031 0.000 0.000) 5.031 23.400 ( -2.975 0.000 0.000) 2.975 23.566 ( 0.029 0.000 0.000) 0.029 23.568 ( 0.004 0.000 0.000) 0.004 23.608 ( 0.872 0.000 0.000) 0.872 23.693 ( -1.615 0.000 0.000) 1.615 23.748 ( 3.763 0.000 0.000) 3.763 24.164 ( -4.723 0.000 0.000) 4.723 25.869 ( 0.927 0.000 0.000) 0.927 25.900 ( 0.590 0.000 0.000) 0.590 26.341 ( 1.317 0.000 0.000) 1.317 26.471 ( -3.969 0.000 0.000) 3.969 27.013 ( 8.136 0.000 0.000) 8.136 27.597 ( -12.445 0.000 0.000) 12.445 27.851 ( -1.678 0.000 0.000) 1.678 28.044 ( -5.616 0.000 0.000) 5.616 ======================= Grid point 3 (4/80) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 1.773 ( 23.778 0.000 0.000) 23.778 2.081 ( -4.399 0.000 0.000) 4.399 2.115 ( 31.224 0.000 0.000) 31.224 2.385 ( 11.195 0.000 0.000) 11.195 2.477 ( 1.938 0.000 0.000) 1.938 2.677 ( -16.599 0.000 0.000) 16.599 3.185 ( -5.090 0.000 0.000) 5.090 3.194 ( -7.388 0.000 0.000) 7.388 3.257 ( 3.327 0.000 0.000) 3.327 3.321 ( -2.042 0.000 0.000) 2.042 3.648 ( 2.081 0.000 0.000) 2.081 3.726 ( -6.671 0.000 0.000) 6.671 3.854 ( 15.376 0.000 0.000) 15.376 4.289 ( -23.838 0.000 0.000) 23.838 4.377 ( -3.118 0.000 0.000) 3.118 4.382 ( -2.095 0.000 0.000) 2.095 4.972 ( 12.855 0.000 0.000) 12.855 5.023 ( 16.305 0.000 0.000) 16.305 5.216 ( -10.072 0.000 0.000) 10.072 5.385 ( -21.551 0.000 0.000) 21.551 5.721 ( 1.181 0.000 0.000) 1.181 5.743 ( 7.629 0.000 0.000) 7.629 5.846 ( -9.325 0.000 0.000) 9.325 5.880 ( 12.435 0.000 0.000) 12.435 5.919 ( -10.432 0.000 0.000) 10.432 6.090 ( -8.813 0.000 0.000) 8.813 6.876 ( 2.271 0.000 0.000) 2.271 6.892 ( 0.813 0.000 0.000) 0.813 7.177 ( -0.148 0.000 0.000) 0.148 7.187 ( 0.550 0.000 0.000) 0.550 7.210 ( -3.753 0.000 0.000) 3.753 7.212 ( -3.262 0.000 0.000) 3.262 7.223 ( 0.555 0.000 0.000) 0.555 7.247 ( -1.257 0.000 0.000) 1.257 7.489 ( 1.505 0.000 0.000) 1.505 7.521 ( -2.074 0.000 0.000) 2.074 7.763 ( 21.619 0.000 0.000) 21.619 8.174 ( -20.215 0.000 0.000) 20.215 8.526 ( 1.045 0.000 0.000) 1.045 8.575 ( -3.038 0.000 0.000) 3.038 8.636 ( 2.487 0.000 0.000) 2.487 8.666 ( -0.609 0.000 0.000) 0.609 8.783 ( 9.296 0.000 0.000) 9.296 8.928 ( -6.041 0.000 0.000) 6.041 9.142 ( 11.993 0.000 0.000) 11.993 9.382 ( -12.474 0.000 0.000) 12.474 10.145 ( 13.296 0.000 0.000) 13.296 10.377 ( -10.816 0.000 0.000) 10.816 10.517 ( 9.097 0.000 0.000) 9.097 10.517 ( 26.588 0.000 0.000) 26.588 10.745 ( -14.085 0.000 0.000) 14.085 10.831 ( 7.177 0.000 0.000) 7.177 10.922 ( -2.709 0.000 0.000) 2.709 10.973 ( -18.954 0.000 0.000) 18.954 11.306 ( 5.044 0.000 0.000) 5.044 11.402 ( -4.876 0.000 0.000) 4.876 11.640 ( 4.651 0.000 0.000) 4.651 11.723 ( -4.707 0.000 0.000) 4.707 11.737 ( 1.957 0.000 0.000) 1.957 11.772 ( -1.647 0.000 0.000) 1.647 11.862 ( 9.387 0.000 0.000) 9.387 12.019 ( -6.122 0.000 0.000) 6.122 12.820 ( 10.494 0.000 0.000) 10.494 13.017 ( -9.958 0.000 0.000) 9.958 13.316 ( 6.691 0.000 0.000) 6.691 13.373 ( 7.858 0.000 0.000) 7.858 13.493 ( -9.995 0.000 0.000) 9.995 13.583 ( -13.121 0.000 0.000) 13.121 14.168 ( 2.437 0.000 0.000) 2.437 14.208 ( -1.849 0.000 0.000) 1.849 14.339 ( 3.164 0.000 0.000) 3.164 14.396 ( -2.721 0.000 0.000) 2.721 14.629 ( 9.892 0.000 0.000) 9.892 14.771 ( -5.087 0.000 0.000) 5.087 15.307 ( 9.011 0.000 0.000) 9.011 15.471 ( -8.106 0.000 0.000) 8.106 22.044 ( 23.263 0.000 0.000) 23.263 22.363 ( -8.426 0.000 0.000) 8.426 22.598 ( -1.837 0.000 0.000) 1.837 22.608 ( -4.424 0.000 0.000) 4.424 23.281 ( 3.773 0.000 0.000) 3.773 23.343 ( -3.000 0.000 0.000) 3.000 23.566 ( 0.049 0.000 0.000) 0.049 23.567 ( -0.045 0.000 0.000) 0.045 23.630 ( 1.393 0.000 0.000) 1.393 23.660 ( -1.711 0.000 0.000) 1.711 23.866 ( 8.363 0.000 0.000) 8.363 24.036 ( -8.422 0.000 0.000) 8.422 25.889 ( 1.046 0.000 0.000) 1.046 25.903 ( -0.302 0.000 0.000) 0.302 26.370 ( 1.757 0.000 0.000) 1.757 26.410 ( -2.504 0.000 0.000) 2.504 27.173 ( 8.784 0.000 0.000) 8.784 27.363 ( -11.318 0.000 0.000) 11.318 27.852 ( 2.178 0.000 0.000) 2.178 27.931 ( -5.612 0.000 0.000) 5.612 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 0.000 32.338 0.000) 32.338 0.698 ( 0.000 38.330 0.000) 38.330 1.483 ( 0.000 75.043 0.000) 75.043 1.905 ( 0.000 22.955 0.000) 22.955 2.054 ( 0.000 19.927 0.000) 19.927 3.421 ( 0.000 8.656 0.000) 8.656 3.426 ( 0.000 -6.664 0.000) 6.664 3.624 ( 0.000 7.107 0.000) 7.107 3.760 ( 0.000 34.013 0.000) 34.013 3.774 ( 0.000 12.595 0.000) 12.595 3.879 ( 0.000 8.675 0.000) 8.675 4.035 ( 0.000 -12.634 0.000) 12.634 4.268 ( 0.000 8.125 0.000) 8.125 4.287 ( 0.000 -1.490 0.000) 1.490 4.528 ( 0.000 2.468 0.000) 2.468 4.694 ( 0.000 -4.524 0.000) 4.524 4.855 ( 0.000 -1.447 0.000) 1.447 5.031 ( 0.000 4.196 0.000) 4.196 5.165 ( 0.000 -1.922 0.000) 1.922 5.363 ( 0.000 -0.111 0.000) 0.111 5.670 ( 0.000 13.037 0.000) 13.037 5.898 ( 0.000 -17.943 0.000) 17.943 6.119 ( 0.000 -7.994 0.000) 7.994 6.192 ( 0.000 -11.659 0.000) 11.659 6.478 ( 0.000 1.688 0.000) 1.688 6.592 ( 0.000 -5.645 0.000) 5.645 6.722 ( 0.000 -9.059 0.000) 9.059 6.734 ( 0.000 4.122 0.000) 4.122 6.773 ( 0.000 4.431 0.000) 4.431 6.872 ( 0.000 -15.431 0.000) 15.431 7.210 ( 0.000 1.111 0.000) 1.111 7.286 ( 0.000 14.414 0.000) 14.414 7.293 ( 0.000 3.533 0.000) 3.533 7.420 ( 0.000 -2.372 0.000) 2.372 7.495 ( 0.000 11.795 0.000) 11.795 7.616 ( 0.000 -2.211 0.000) 2.211 7.834 ( 0.000 27.951 0.000) 27.951 8.026 ( 0.000 -1.696 0.000) 1.696 8.142 ( 0.000 -5.548 0.000) 5.548 8.204 ( 0.000 9.476 0.000) 9.476 8.522 ( 0.000 0.468 0.000) 0.468 8.580 ( 0.000 8.413 0.000) 8.413 9.114 ( 0.000 3.195 0.000) 3.195 9.194 ( 0.000 -6.078 0.000) 6.078 9.232 ( 0.000 2.782 0.000) 2.782 9.454 ( 0.000 -3.232 0.000) 3.232 9.575 ( 0.000 -2.203 0.000) 2.203 9.877 ( 0.000 0.565 0.000) 0.565 9.907 ( 0.000 9.758 0.000) 9.758 10.317 ( 0.000 -29.415 0.000) 29.415 10.878 ( 0.000 -6.528 0.000) 6.528 10.899 ( 0.000 -4.998 0.000) 4.998 11.085 ( 0.000 -1.493 0.000) 1.493 11.099 ( 0.000 -1.348 0.000) 1.348 11.203 ( 0.000 -16.230 0.000) 16.230 11.382 ( 0.000 -0.329 0.000) 0.329 11.464 ( 0.000 3.480 0.000) 3.480 11.633 ( 0.000 1.367 0.000) 1.367 11.917 ( 0.000 -1.822 0.000) 1.822 12.032 ( 0.000 24.324 0.000) 24.324 12.142 ( 0.000 -11.648 0.000) 11.648 12.354 ( 0.000 11.682 0.000) 11.682 13.051 ( 0.000 -21.776 0.000) 21.776 13.390 ( 0.000 10.138 0.000) 10.138 13.646 ( 0.000 -12.268 0.000) 12.268 13.871 ( 0.000 5.123 0.000) 5.123 13.977 ( 0.000 -4.493 0.000) 4.493 13.995 ( 0.000 14.536 0.000) 14.536 14.047 ( 0.000 -12.390 0.000) 12.390 14.175 ( 0.000 1.434 0.000) 1.434 14.240 ( 0.000 1.021 0.000) 1.021 14.341 ( 0.000 -1.444 0.000) 1.444 14.800 ( 0.000 6.706 0.000) 6.706 14.859 ( 0.000 0.644 0.000) 0.644 15.364 ( 0.000 13.453 0.000) 13.453 15.732 ( 0.000 -3.271 0.000) 3.271 20.856 ( 0.000 0.305 0.000) 0.305 20.931 ( 0.000 -0.322 0.000) 0.322 22.389 ( 0.000 0.903 0.000) 0.903 22.715 ( 0.000 1.012 0.000) 1.012 22.836 ( 0.000 -2.754 0.000) 2.754 23.057 ( 0.000 -1.603 0.000) 1.603 23.456 ( 0.000 -0.731 0.000) 0.731 23.601 ( 0.000 0.610 0.000) 0.610 23.637 ( 0.000 6.272 0.000) 6.272 23.706 ( 0.000 -0.143 0.000) 0.143 23.738 ( 0.000 0.849 0.000) 0.849 24.219 ( 0.000 -1.597 0.000) 1.597 25.913 ( 0.000 3.379 0.000) 3.379 26.304 ( 0.000 3.171 0.000) 3.171 26.324 ( 0.000 0.839 0.000) 0.839 26.654 ( 0.000 1.623 0.000) 1.623 26.949 ( 0.000 3.261 0.000) 3.261 27.626 ( 0.000 -1.753 0.000) 1.753 27.913 ( 0.000 2.182 0.000) 2.182 28.161 ( 0.000 0.483 0.000) 0.483 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.14 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 23.439 20.300 0.000) 31.008 0.986 ( 25.649 24.632 0.000) 35.561 1.793 ( 27.885 61.395 0.000) 67.431 1.954 ( 6.015 21.984 0.000) 22.792 2.195 ( 12.540 19.192 0.000) 22.926 3.217 ( -11.169 -2.922 0.000) 11.545 3.370 ( -5.708 5.638 0.000) 8.023 3.532 ( -9.060 0.430 0.000) 9.070 3.652 ( -8.350 18.232 0.000) 20.053 3.704 ( -4.487 25.065 0.000) 25.464 3.832 ( -1.467 22.928 0.000) 22.975 4.096 ( -3.544 -5.259 0.000) 6.341 4.180 ( -11.281 -1.060 0.000) 11.331 4.221 ( 2.867 0.548 0.000) 2.919 4.583 ( 4.153 1.439 0.000) 4.395 4.727 ( 2.660 -0.744 0.000) 2.762 4.740 ( -10.748 -1.624 0.000) 10.870 4.982 ( -4.896 7.335 0.000) 8.819 5.151 ( -0.189 -5.847 0.000) 5.850 5.419 ( 6.297 -3.004 0.000) 6.977 5.671 ( 0.325 11.958 0.000) 11.963 5.876 ( -5.299 -16.617 0.000) 17.442 6.079 ( -4.210 -7.711 0.000) 8.786 6.107 ( -8.196 -11.826 0.000) 14.388 6.280 ( -16.278 -1.206 0.000) 16.323 6.436 ( -6.742 3.175 0.000) 7.452 6.754 ( -1.139 -4.790 0.000) 4.924 6.784 ( 4.787 -4.262 0.000) 6.410 6.905 ( 2.165 -7.542 0.000) 7.847 6.948 ( 12.967 -0.555 0.000) 12.979 7.074 ( -5.610 -0.296 0.000) 5.617 7.290 ( -0.184 3.917 0.000) 3.921 7.416 ( 3.660 12.057 0.000) 12.600 7.508 ( 0.106 6.260 0.000) 6.261 7.595 ( -1.993 -1.887 0.000) 2.745 7.671 ( 2.046 10.736 0.000) 10.929 7.800 ( -3.132 27.242 0.000) 27.422 7.956 ( 16.978 -19.464 0.000) 25.828 8.192 ( 4.386 -5.076 0.000) 6.709 8.459 ( 6.215 -5.539 0.000) 8.325 8.607 ( 2.638 8.202 0.000) 8.616 8.609 ( 12.891 9.122 0.000) 15.792 9.064 ( -9.323 2.062 0.000) 9.548 9.121 ( -6.824 3.502 0.000) 7.671 9.190 ( -4.432 -0.396 0.000) 4.450 9.481 ( 7.464 -8.450 0.000) 11.275 9.645 ( 7.621 -3.484 0.000) 8.380 9.807 ( -6.625 1.471 0.000) 6.786 10.003 ( 10.116 1.881 0.000) 10.289 10.318 ( -0.234 -27.801 0.000) 27.802 10.785 ( -8.079 0.157 0.000) 8.081 10.853 ( -2.981 -7.788 0.000) 8.339 11.119 ( 0.698 -2.957 0.000) 3.038 11.174 ( 7.350 -0.754 0.000) 7.389 11.240 ( 2.759 -17.575 0.000) 17.790 11.287 ( -7.473 0.946 0.000) 7.532 11.481 ( 1.925 3.413 0.000) 3.918 11.613 ( -1.924 1.591 0.000) 2.497 11.960 ( 3.377 -1.618 0.000) 3.745 12.030 ( 0.618 18.730 0.000) 18.740 12.178 ( 0.095 5.191 0.000) 5.192 12.355 ( 2.411 1.383 0.000) 2.779 12.905 ( -41.075 25.019 0.000) 48.095 13.068 ( -19.945 5.118 0.000) 20.591 13.378 ( -0.860 9.730 0.000) 9.768 13.575 ( -12.270 6.507 0.000) 13.889 13.830 ( -4.101 4.357 0.000) 5.983 14.011 ( 3.155 -3.526 0.000) 4.731 14.030 ( -5.877 -4.250 0.000) 7.252 14.156 ( 9.339 8.533 0.000) 12.650 14.250 ( 1.049 0.569 0.000) 1.193 14.282 ( 0.128 -1.851 0.000) 1.856 14.686 ( -14.383 22.446 0.000) 26.659 14.858 ( -0.174 0.885 0.000) 0.902 14.968 ( 9.391 3.165 0.000) 9.910 15.695 ( -3.791 -2.916 0.000) 4.783 21.060 ( 20.258 0.806 0.000) 20.274 22.398 ( 0.910 0.911 0.000) 1.288 22.491 ( 58.409 -56.511 0.000) 81.272 22.721 ( 6.438 -4.185 0.000) 7.679 22.812 ( -2.609 -2.232 0.000) 3.433 23.088 ( 3.043 -2.100 0.000) 3.697 23.432 ( -2.421 -1.042 0.000) 2.636 23.597 ( -0.404 0.605 0.000) 0.728 23.640 ( 0.283 5.779 0.000) 5.786 23.715 ( 0.614 -0.178 0.000) 0.640 23.735 ( 0.033 1.188 0.000) 1.188 24.205 ( -1.642 -1.691 0.000) 2.357 25.919 ( 0.593 3.353 0.000) 3.405 26.114 ( -11.778 12.963 0.000) 17.515 26.330 ( 0.704 0.833 0.000) 1.090 26.587 ( -5.505 2.231 0.000) 5.940 26.935 ( 3.834 6.057 0.000) 7.168 27.750 ( 4.589 -8.879 0.000) 9.994 27.829 ( -8.273 2.413 0.000) 8.617 28.132 ( -3.193 0.240 0.000) 3.202 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 30.948 10.765 0.000) 32.767 1.547 ( 31.018 10.838 0.000) 32.857 2.130 ( 11.533 19.265 0.000) 22.454 2.386 ( 29.683 41.016 0.000) 50.630 2.442 ( 10.657 18.564 0.000) 21.405 3.037 ( -10.740 4.000 0.000) 11.461 3.281 ( -2.941 -1.837 0.000) 3.468 3.336 ( -9.835 -0.390 0.000) 9.843 3.520 ( -4.160 21.880 0.000) 22.272 3.625 ( -3.152 16.948 0.000) 17.239 3.763 ( -5.816 19.369 0.000) 20.223 3.930 ( -9.506 3.400 0.000) 10.096 3.938 ( -10.089 7.120 0.000) 12.349 4.330 ( 3.925 -6.320 0.000) 7.439 4.502 ( -12.225 -1.991 0.000) 12.386 4.581 ( -5.890 -3.883 0.000) 7.055 4.827 ( 4.335 4.132 0.000) 5.989 4.899 ( 2.390 10.594 0.000) 10.860 5.192 ( 3.375 -6.399 0.000) 7.234 5.573 ( 6.657 -4.430 0.000) 7.997 5.684 ( -14.206 -14.416 0.000) 20.240 5.722 ( 7.561 7.912 0.000) 10.944 5.809 ( -18.172 -3.400 0.000) 18.487 5.959 ( -8.038 -6.722 0.000) 10.478 6.034 ( -10.613 -5.143 0.000) 11.794 6.349 ( -4.650 6.279 0.000) 7.813 6.743 ( 0.021 -13.103 0.000) 13.103 6.811 ( -0.094 -2.925 0.000) 2.927 6.927 ( -0.028 -3.145 0.000) 3.145 6.991 ( -4.088 -11.069 0.000) 11.800 7.233 ( 13.453 -3.863 0.000) 13.997 7.291 ( 0.395 5.755 0.000) 5.769 7.378 ( -4.833 6.219 0.000) 7.876 7.480 ( 1.553 11.559 0.000) 11.663 7.548 ( -2.791 -1.729 0.000) 3.283 7.728 ( -4.141 26.774 0.000) 27.092 7.753 ( 6.687 20.199 0.000) 21.277 8.266 ( 1.946 -5.901 0.000) 6.214 8.346 ( 18.589 -16.623 0.000) 24.937 8.486 ( -0.466 -7.123 0.000) 7.139 8.667 ( 2.595 7.088 0.000) 7.549 8.756 ( -17.452 4.303 0.000) 17.975 8.848 ( 8.108 13.930 0.000) 16.118 9.035 ( -4.657 2.391 0.000) 5.235 9.088 ( -1.356 5.791 0.000) 5.947 9.647 ( -9.785 3.129 0.000) 10.273 9.732 ( 14.985 -17.185 0.000) 22.800 9.876 ( 17.005 -9.038 0.000) 19.257 10.255 ( 15.202 -2.020 0.000) 15.335 10.289 ( -3.218 -24.327 0.000) 24.539 10.677 ( -2.455 -0.949 0.000) 2.632 10.754 ( -7.578 -11.827 0.000) 14.046 11.006 ( -11.586 -3.808 0.000) 12.196 11.157 ( -6.048 -2.761 0.000) 6.649 11.329 ( 8.222 2.094 0.000) 8.484 11.347 ( 6.471 -15.094 0.000) 16.422 11.536 ( 3.460 1.736 0.000) 3.871 11.577 ( -1.254 2.719 0.000) 2.994 11.968 ( -4.036 2.803 0.000) 4.914 12.029 ( -3.681 14.133 0.000) 14.605 12.135 ( 0.102 23.678 0.000) 23.678 12.379 ( -9.772 32.743 0.000) 34.170 12.474 ( 8.332 -11.451 0.000) 14.161 12.942 ( -5.350 -16.724 0.000) 17.558 13.379 ( 1.510 8.538 0.000) 8.670 13.392 ( -6.481 4.326 0.000) 7.792 13.716 ( -7.635 4.379 0.000) 8.802 13.868 ( -10.448 1.759 0.000) 10.595 14.081 ( 3.802 -2.711 0.000) 4.670 14.230 ( -0.716 -0.158 0.000) 0.733 14.277 ( 1.649 -0.770 0.000) 1.820 14.363 ( 3.682 -4.276 0.000) 5.643 14.561 ( 1.554 12.734 0.000) 12.828 14.847 ( -1.264 1.636 0.000) 2.068 15.157 ( 9.435 3.348 0.000) 10.012 15.597 ( -6.141 -1.869 0.000) 6.419 21.551 ( 28.606 1.824 0.000) 28.664 22.417 ( 0.699 0.949 0.000) 1.179 22.642 ( -2.146 -0.585 0.000) 2.225 22.731 ( -5.903 -0.800 0.000) 5.957 23.157 ( 4.445 -5.470 0.000) 7.049 23.243 ( 18.321 -24.969 0.000) 30.970 23.371 ( -3.679 -2.089 0.000) 4.231 23.584 ( -1.025 0.014 0.000) 1.025 23.649 ( 0.636 4.729 0.000) 4.771 23.707 ( -1.024 1.218 0.000) 1.591 23.768 ( 3.403 0.852 0.000) 3.508 24.147 ( -4.691 -1.780 0.000) 5.018 25.932 ( 0.659 3.380 0.000) 3.444 25.972 ( -3.615 8.969 0.000) 9.670 26.350 ( 1.354 0.851 0.000) 1.599 26.491 ( -4.270 1.851 0.000) 4.654 27.053 ( 7.341 3.946 0.000) 8.334 27.624 ( -12.264 2.837 0.000) 12.588 27.785 ( 0.704 -5.715 0.000) 5.758 28.041 ( -6.040 -0.379 0.000) 6.052 ======================= Grid point 10 (8/80) ======================= q-point: ( 0.43 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 22.158 9.412 0.000) 24.074 2.066 ( 15.156 1.606 0.000) 15.241 2.347 ( 12.304 18.990 0.000) 22.628 2.577 ( 7.623 17.483 0.000) 19.072 2.654 ( -8.113 18.555 0.000) 20.251 2.803 ( -12.538 12.511 0.000) 17.712 3.175 ( -4.391 -0.186 0.000) 4.395 3.193 ( -4.711 2.775 0.000) 5.468 3.547 ( 6.433 25.244 0.000) 26.051 3.637 ( -0.288 27.148 0.000) 27.150 3.765 ( -0.667 13.560 0.000) 13.577 3.782 ( -5.332 5.892 0.000) 7.947 3.874 ( 15.129 2.238 0.000) 15.294 4.292 ( -16.252 -1.103 0.000) 16.289 4.340 ( -3.704 -3.545 0.000) 5.128 4.356 ( -7.093 -0.958 0.000) 7.157 4.948 ( 12.055 -0.994 0.000) 12.095 5.086 ( 11.758 5.442 0.000) 12.956 5.187 ( -7.160 -2.378 0.000) 7.544 5.336 ( -17.256 -4.906 0.000) 17.940 5.632 ( -1.095 -8.332 0.000) 8.404 5.642 ( 1.811 -6.417 0.000) 6.668 5.798 ( -5.975 -3.941 0.000) 7.157 5.838 ( -8.510 -2.626 0.000) 8.906 5.965 ( 14.382 4.455 0.000) 15.057 6.213 ( -10.291 6.087 0.000) 11.957 6.755 ( 1.337 -15.990 0.000) 16.046 6.794 ( -2.086 -10.399 0.000) 10.606 6.908 ( -2.234 -9.609 0.000) 9.865 6.910 ( -1.265 -4.254 0.000) 4.439 7.305 ( 0.951 8.257 0.000) 8.312 7.323 ( -0.950 7.373 0.000) 7.434 7.423 ( 5.052 -4.172 0.000) 6.552 7.492 ( -3.019 -2.639 0.000) 4.010 7.552 ( 5.459 16.697 0.000) 17.567 7.647 ( -4.407 23.836 0.000) 24.240 7.926 ( 12.021 14.950 0.000) 19.183 8.183 ( -11.979 0.572 0.000) 11.993 8.473 ( -0.370 -5.912 0.000) 5.924 8.500 ( -5.184 0.386 0.000) 5.198 8.632 ( 10.659 -8.221 0.000) 13.461 8.722 ( 0.621 4.142 0.000) 4.188 8.887 ( -0.328 12.605 0.000) 12.609 8.935 ( -5.222 3.613 0.000) 6.350 9.215 ( 11.314 5.313 0.000) 12.499 9.441 ( -11.615 4.518 0.000) 12.463 9.990 ( 12.024 -16.938 0.000) 20.772 10.184 ( -7.912 -20.074 0.000) 21.577 10.241 ( 18.616 -16.367 0.000) 24.788 10.551 ( -13.689 -15.407 0.000) 20.610 10.571 ( 17.240 0.661 0.000) 17.253 10.699 ( 5.081 -5.593 0.000) 7.556 10.797 ( -9.256 -4.851 0.000) 10.450 10.943 ( -15.755 -2.287 0.000) 15.920 11.465 ( 5.359 1.512 0.000) 5.568 11.475 ( 5.627 -13.715 0.000) 14.824 11.562 ( -0.599 4.793 0.000) 4.830 11.582 ( -0.022 -2.604 0.000) 2.604 11.877 ( -2.472 10.725 0.000) 11.006 11.916 ( -5.510 16.257 0.000) 17.166 12.201 ( 4.871 22.828 0.000) 23.342 12.287 ( -3.729 23.202 0.000) 23.500 12.643 ( 9.187 -15.202 0.000) 17.763 12.815 ( -8.220 -16.925 0.000) 18.815 13.368 ( 3.946 3.248 0.000) 5.111 13.436 ( 2.387 4.174 0.000) 4.808 13.567 ( -5.052 7.527 0.000) 9.065 13.660 ( -10.226 6.745 0.000) 12.250 14.149 ( 3.163 -1.784 0.000) 3.631 14.200 ( -2.191 -0.909 0.000) 2.372 14.311 ( 1.983 -2.747 0.000) 3.388 14.352 ( -2.198 -4.400 0.000) 4.919 14.684 ( 7.595 6.207 0.000) 9.809 14.798 ( -4.102 3.101 0.000) 5.142 15.323 ( 8.061 1.751 0.000) 8.249 15.468 ( -7.166 -0.216 0.000) 7.169 22.065 ( 23.176 2.220 0.000) 23.282 22.376 ( -7.889 1.416 0.000) 8.015 22.601 ( -1.678 0.255 0.000) 1.697 22.612 ( -4.290 0.435 0.000) 4.312 23.232 ( 3.616 -4.713 0.000) 5.941 23.300 ( -3.621 -3.658 0.000) 5.147 23.468 ( 6.999 -9.471 0.000) 11.776 23.552 ( -2.543 -2.448 0.000) 3.530 23.664 ( 0.987 3.578 0.000) 3.712 23.686 ( -1.181 2.395 0.000) 2.670 23.869 ( 7.221 0.042 0.000) 7.221 24.023 ( -7.948 -1.347 0.000) 8.061 25.940 ( 0.116 3.796 0.000) 3.798 25.941 ( -0.361 5.246 0.000) 5.259 26.381 ( 1.895 0.997 0.000) 2.142 26.425 ( -2.740 1.356 0.000) 3.057 27.204 ( 8.600 3.220 0.000) 9.183 27.392 ( -11.264 3.076 0.000) 11.676 27.820 ( 3.437 -3.088 0.000) 4.621 27.917 ( -6.340 -1.403 0.000) 6.494 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 1.226 ( 0.000 32.704 0.000) 32.704 1.441 ( 0.000 39.294 0.000) 39.294 2.430 ( 0.000 30.330 0.000) 30.330 2.441 ( 0.000 18.831 0.000) 18.831 2.758 ( 0.000 53.727 0.000) 53.727 3.269 ( 0.000 -6.310 0.000) 6.310 3.574 ( 0.000 -6.351 0.000) 6.351 3.641 ( 0.000 13.843 0.000) 13.843 3.728 ( 0.000 -19.211 0.000) 19.211 4.092 ( 0.000 12.901 0.000) 12.901 4.223 ( 0.000 24.165 0.000) 24.165 4.261 ( 0.000 -0.375 0.000) 0.375 4.365 ( 0.000 -0.711 0.000) 0.711 4.495 ( 0.000 35.798 0.000) 35.798 4.562 ( 0.000 0.968 0.000) 0.968 4.657 ( 0.000 3.040 0.000) 3.040 4.787 ( 0.000 -6.097 0.000) 6.097 5.136 ( 0.000 1.717 0.000) 1.717 5.149 ( 0.000 6.753 0.000) 6.753 5.350 ( 0.000 -1.283 0.000) 1.283 5.610 ( 0.000 -10.818 0.000) 10.818 5.930 ( 0.000 -12.119 0.000) 12.119 5.962 ( 0.000 -10.015 0.000) 10.015 5.991 ( 0.000 20.120 0.000) 20.120 6.444 ( 0.000 -9.344 0.000) 9.344 6.490 ( 0.000 -1.449 0.000) 1.449 6.528 ( 0.000 -11.552 0.000) 11.552 6.665 ( 0.000 -4.104 0.000) 4.104 6.760 ( 0.000 -0.134 0.000) 0.134 6.893 ( 0.000 7.893 0.000) 7.893 7.105 ( 0.000 -9.832 0.000) 9.832 7.370 ( 0.000 3.810 0.000) 3.810 7.469 ( 0.000 5.503 0.000) 5.503 7.552 ( 0.000 -3.465 0.000) 3.465 7.600 ( 0.000 15.945 0.000) 15.945 7.770 ( 0.000 16.148 0.000) 16.148 7.992 ( 0.000 -0.917 0.000) 0.917 8.029 ( 0.000 -6.273 0.000) 6.273 8.394 ( 0.000 7.697 0.000) 7.697 8.417 ( 0.000 31.146 0.000) 31.146 8.535 ( 0.000 1.819 0.000) 1.819 8.764 ( 0.000 10.314 0.000) 10.314 9.090 ( 0.000 -3.964 0.000) 3.964 9.169 ( 0.000 -3.060 0.000) 3.060 9.304 ( 0.000 10.926 0.000) 10.926 9.386 ( 0.000 -3.487 0.000) 3.487 9.514 ( 0.000 -3.277 0.000) 3.277 9.750 ( 0.000 -28.259 0.000) 28.259 9.930 ( 0.000 5.053 0.000) 5.053 10.106 ( 0.000 9.685 0.000) 9.685 10.672 ( 0.000 -14.476 0.000) 14.476 10.769 ( 0.000 -8.134 0.000) 8.134 10.927 ( 0.000 -12.430 0.000) 12.430 11.026 ( 0.000 -5.053 0.000) 5.053 11.040 ( 0.000 -5.040 0.000) 5.040 11.401 ( 0.000 2.530 0.000) 2.530 11.549 ( 0.000 -13.310 0.000) 13.310 11.554 ( 0.000 5.876 0.000) 5.876 11.818 ( 0.000 -15.331 0.000) 15.331 11.883 ( 0.000 -1.214 0.000) 1.214 12.485 ( 0.000 22.132 0.000) 22.132 12.652 ( 0.000 15.023 0.000) 15.023 12.672 ( 0.000 -17.340 0.000) 17.340 13.221 ( 0.000 -27.962 0.000) 27.962 13.586 ( 0.000 9.020 0.000) 9.020 13.890 ( 0.000 -4.223 0.000) 4.223 13.964 ( 0.000 1.157 0.000) 1.157 14.011 ( 0.000 8.885 0.000) 8.885 14.108 ( 0.000 0.568 0.000) 0.568 14.243 ( 0.000 0.928 0.000) 0.928 14.243 ( 0.000 1.102 0.000) 1.102 14.298 ( 0.000 -2.868 0.000) 2.868 14.901 ( 0.000 4.517 0.000) 4.517 15.025 ( 0.000 16.219 0.000) 16.219 15.586 ( 0.000 8.632 0.000) 8.632 15.639 ( 0.000 -6.538 0.000) 6.538 20.864 ( 0.000 0.579 0.000) 0.579 20.922 ( 0.000 -0.600 0.000) 0.600 22.419 ( 0.000 2.415 0.000) 2.415 22.745 ( 0.000 2.220 0.000) 2.220 22.766 ( 0.000 -4.427 0.000) 4.427 23.013 ( 0.000 -2.898 0.000) 2.898 23.456 ( 0.000 0.718 0.000) 0.718 23.606 ( 0.000 -0.318 0.000) 0.318 23.704 ( 0.000 -0.006 0.000) 0.006 23.750 ( 0.000 0.231 0.000) 0.231 23.775 ( 0.000 7.689 0.000) 7.689 24.176 ( 0.000 -2.890 0.000) 2.890 26.005 ( 0.000 6.190 0.000) 6.190 26.338 ( 0.000 0.388 0.000) 0.388 26.389 ( 0.000 5.652 0.000) 5.652 26.684 ( 0.000 1.127 0.000) 1.127 27.043 ( 0.000 6.511 0.000) 6.511 27.574 ( 0.000 -3.756 0.000) 3.756 27.971 ( 0.000 3.780 0.000) 3.780 28.169 ( 0.000 0.153 0.000) 0.153 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 10.133 27.926 0.000) 29.708 1.556 ( 11.620 33.229 0.000) 35.202 2.454 ( 4.050 28.303 0.000) 28.591 2.569 ( 10.827 18.498 0.000) 21.434 2.869 ( 8.794 33.516 0.000) 34.651 3.152 ( -4.938 10.910 0.000) 11.976 3.450 ( -8.554 -6.418 0.000) 10.694 3.582 ( -6.311 14.478 0.000) 15.794 3.835 ( 7.262 -15.726 0.000) 17.322 3.989 ( -9.865 8.766 0.000) 13.197 4.079 ( -11.279 13.832 0.000) 17.848 4.189 ( -7.466 3.424 0.000) 8.214 4.325 ( -3.050 9.065 0.000) 9.564 4.479 ( -2.677 31.315 0.000) 31.429 4.614 ( 1.637 1.434 0.000) 2.177 4.702 ( -7.424 0.219 0.000) 7.427 4.758 ( 8.540 5.399 0.000) 10.104 5.095 ( -1.514 1.497 0.000) 2.130 5.151 ( -0.557 8.059 0.000) 8.078 5.343 ( 1.748 -4.495 0.000) 4.823 5.602 ( -5.679 -10.451 0.000) 11.895 5.880 ( -4.076 -10.430 0.000) 11.198 5.896 ( -3.590 -10.956 0.000) 11.529 5.972 ( -1.911 18.447 0.000) 18.545 6.200 ( -18.624 -6.237 0.000) 19.641 6.454 ( -2.033 -1.745 0.000) 2.679 6.583 ( -5.963 -4.998 0.000) 7.780 6.639 ( 7.448 -10.108 0.000) 12.555 6.898 ( 7.685 -2.636 0.000) 8.124 6.948 ( 2.754 5.631 0.000) 6.269 7.122 ( -5.727 0.041 0.000) 5.727 7.383 ( 1.703 5.209 0.000) 5.481 7.470 ( 10.345 -3.595 0.000) 10.951 7.545 ( -0.781 -2.315 0.000) 2.443 7.691 ( 0.896 7.232 0.000) 7.287 7.794 ( -3.034 6.467 0.000) 7.143 7.931 ( 9.986 14.500 0.000) 17.606 8.061 ( 2.969 -5.300 0.000) 6.075 8.383 ( -3.651 28.437 0.000) 28.671 8.417 ( -0.517 -0.534 0.000) 0.743 8.786 ( 2.004 10.225 0.000) 10.419 8.788 ( 20.538 8.332 0.000) 22.164 9.068 ( -10.397 -2.750 0.000) 10.754 9.111 ( 2.084 -5.178 0.000) 5.582 9.247 ( -4.829 11.288 0.000) 12.277 9.382 ( -0.540 -2.173 0.000) 2.239 9.546 ( 4.174 -6.425 0.000) 7.662 9.711 ( -3.953 -21.595 0.000) 21.954 9.936 ( 0.315 0.048 0.000) 0.319 10.132 ( 4.066 8.272 0.000) 9.217 10.632 ( -4.401 -14.916 0.000) 15.552 10.714 ( -4.880 -5.991 0.000) 7.727 10.927 ( -0.876 -14.915 0.000) 14.941 11.043 ( 0.070 -5.437 0.000) 5.437 11.116 ( 8.089 -5.250 0.000) 9.643 11.303 ( -6.854 -0.248 0.000) 6.858 11.571 ( 1.611 5.827 0.000) 6.045 11.572 ( 0.588 -6.217 0.000) 6.244 11.877 ( 5.495 -16.613 0.000) 17.498 11.930 ( 4.092 -1.017 0.000) 4.217 12.498 ( 1.353 20.888 0.000) 20.932 12.617 ( -3.583 15.460 0.000) 15.870 12.640 ( -3.145 -16.731 0.000) 17.024 13.057 ( -15.570 -19.076 0.000) 24.623 13.566 ( -1.709 8.820 0.000) 8.984 13.815 ( -16.286 10.202 0.000) 19.217 13.878 ( -1.971 -1.870 0.000) 2.717 14.014 ( 0.750 5.795 0.000) 5.843 14.024 ( -5.703 2.752 0.000) 6.332 14.228 ( 1.393 -2.069 0.000) 2.495 14.244 ( 0.019 -1.248 0.000) 1.248 14.266 ( -2.190 0.453 0.000) 2.237 14.906 ( 0.535 4.960 0.000) 4.988 15.110 ( 4.962 11.769 0.000) 12.772 15.171 ( -22.657 22.483 0.000) 31.919 15.612 ( -2.723 -5.816 0.000) 6.421 21.085 ( 21.820 1.876 0.000) 21.901 21.713 ( 58.056 -25.719 0.000) 63.498 22.428 ( 0.894 2.380 0.000) 2.542 22.738 ( -0.317 2.269 0.000) 2.291 22.753 ( -1.434 -3.832 0.000) 4.091 23.034 ( 2.080 -3.469 0.000) 4.044 23.427 ( -2.959 0.611 0.000) 3.022 23.597 ( -0.962 -0.700 0.000) 1.190 23.712 ( 0.760 -0.047 0.000) 0.762 23.753 ( 0.437 0.509 0.000) 0.671 23.769 ( -0.606 7.179 0.000) 7.205 24.159 ( -1.857 -3.053 0.000) 3.573 26.011 ( 0.569 6.176 0.000) 6.202 26.300 ( -7.869 8.210 0.000) 11.372 26.345 ( 0.683 0.367 0.000) 0.775 26.627 ( -5.113 1.532 0.000) 5.337 27.062 ( 2.934 7.331 0.000) 7.896 27.619 ( 3.215 -5.756 0.000) 6.593 27.893 ( -7.674 4.233 0.000) 8.764 28.133 ( -3.797 -0.253 0.000) 3.806 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 23.934 17.182 0.000) 29.463 1.855 ( 18.410 20.699 0.000) 27.702 2.563 ( 6.591 23.244 0.000) 24.161 2.790 ( 9.789 16.391 0.000) 19.092 2.958 ( 1.847 -7.122 0.000) 7.358 3.252 ( 7.578 38.376 0.000) 39.117 3.327 ( -2.531 0.486 0.000) 2.577 3.408 ( -11.258 13.482 0.000) 17.564 3.808 ( -2.763 8.972 0.000) 9.387 3.867 ( -8.656 6.482 0.000) 10.813 3.974 ( 6.403 -3.364 0.000) 7.233 4.019 ( -8.947 6.450 0.000) 11.029 4.279 ( -1.776 9.257 0.000) 9.426 4.370 ( -7.652 16.424 0.000) 18.120 4.544 ( -9.391 17.742 0.000) 20.074 4.562 ( -5.732 1.749 0.000) 5.993 4.917 ( 4.194 4.777 0.000) 6.357 5.113 ( 0.872 9.659 0.000) 9.698 5.133 ( 5.007 2.155 0.000) 5.451 5.391 ( -13.452 -14.857 0.000) 20.042 5.482 ( 10.214 -4.350 0.000) 11.102 5.742 ( -14.302 -2.549 0.000) 14.527 5.797 ( -6.350 -9.549 0.000) 11.467 5.923 ( -6.650 -5.997 0.000) 8.955 5.935 ( -0.771 13.817 0.000) 13.838 6.396 ( -5.067 -1.088 0.000) 5.183 6.490 ( -3.255 -7.795 0.000) 8.447 6.737 ( 2.657 -8.013 0.000) 8.442 6.826 ( -10.709 -3.531 0.000) 11.276 6.947 ( -2.633 1.262 0.000) 2.920 7.175 ( 7.073 -3.011 0.000) 7.687 7.435 ( 2.882 7.377 0.000) 7.920 7.483 ( -0.542 4.817 0.000) 4.847 7.517 ( -2.041 0.348 0.000) 2.070 7.743 ( 2.383 14.180 0.000) 14.378 8.014 ( 20.107 -10.491 0.000) 22.679 8.123 ( 3.074 -1.613 0.000) 3.472 8.147 ( 9.944 14.973 0.000) 17.975 8.265 ( -8.958 19.876 0.000) 21.801 8.399 ( -0.146 -2.381 0.000) 2.385 8.805 ( -5.873 7.620 0.000) 9.620 8.829 ( -7.991 3.054 0.000) 8.555 9.107 ( 9.379 6.164 0.000) 11.223 9.152 ( -4.373 10.247 0.000) 11.141 9.170 ( 3.255 9.516 0.000) 10.058 9.435 ( 9.515 -11.904 0.000) 15.240 9.606 ( -6.886 -12.915 0.000) 14.636 9.694 ( 11.449 -10.686 0.000) 15.661 9.925 ( -1.927 -4.983 0.000) 5.342 10.293 ( 12.505 3.964 0.000) 13.119 10.498 ( -9.558 -15.538 0.000) 18.242 10.621 ( -3.925 -4.302 0.000) 5.824 10.832 ( -8.810 -14.757 0.000) 17.187 11.047 ( -1.429 -7.107 0.000) 7.250 11.209 ( -1.909 -1.508 0.000) 2.433 11.277 ( 7.230 -6.429 0.000) 9.675 11.579 ( 0.890 -1.992 0.000) 2.181 11.602 ( 1.190 4.483 0.000) 4.638 11.996 ( 6.276 -15.780 0.000) 16.983 11.998 ( 2.597 1.777 0.000) 3.146 12.509 ( -4.205 14.032 0.000) 14.649 12.550 ( 1.052 18.580 0.000) 18.610 12.568 ( -4.046 -14.924 0.000) 15.463 12.775 ( -10.477 -1.521 0.000) 10.586 13.540 ( -0.659 7.780 0.000) 7.808 13.543 ( -9.635 12.883 0.000) 16.087 13.798 ( -5.919 2.648 0.000) 6.484 13.914 ( -6.684 2.902 0.000) 7.287 14.050 ( 2.767 0.143 0.000) 2.770 14.213 ( -1.919 -1.952 0.000) 2.737 14.243 ( -0.089 -2.710 0.000) 2.712 14.260 ( -0.304 -6.050 0.000) 6.057 14.889 ( -5.369 19.774 0.000) 20.490 14.916 ( 0.229 6.279 0.000) 6.283 15.254 ( 6.710 6.491 0.000) 9.336 15.544 ( -4.140 -3.786 0.000) 5.610 21.607 ( 29.907 4.117 0.000) 30.189 22.448 ( 0.773 2.321 0.000) 2.447 22.528 ( 17.461 -16.399 0.000) 23.955 22.706 ( -3.737 -1.966 0.000) 4.223 22.820 ( 16.130 -8.078 0.000) 18.040 23.092 ( 4.276 -4.747 0.000) 6.389 23.346 ( -5.360 -0.293 0.000) 5.368 23.564 ( -2.784 -2.099 0.000) 3.487 23.725 ( 0.429 0.608 0.000) 0.744 23.754 ( -0.827 5.777 0.000) 5.836 23.781 ( 2.781 0.376 0.000) 2.806 24.099 ( -4.593 -3.192 0.000) 5.593 26.025 ( 0.875 6.274 0.000) 6.335 26.154 ( -6.209 9.634 0.000) 11.461 26.364 ( 1.395 0.341 0.000) 1.436 26.527 ( -4.818 1.435 0.000) 5.027 27.154 ( 6.186 6.507 0.000) 8.978 27.674 ( 2.882 -5.697 0.000) 6.384 27.701 ( -11.673 5.111 0.000) 12.742 28.027 ( -7.019 -1.198 0.000) 7.121 ======================= Grid point 17 (12/80) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 17.606 10.115 0.000) 20.305 2.172 ( 10.068 9.610 0.000) 13.918 2.684 ( 7.190 12.117 0.000) 14.090 2.897 ( -10.573 1.384 0.000) 10.663 2.920 ( 6.382 18.077 0.000) 19.170 3.101 ( -13.281 14.874 0.000) 19.941 3.337 ( 0.442 20.893 0.000) 20.898 3.342 ( 0.980 13.445 0.000) 13.481 3.795 ( 2.196 2.859 0.000) 3.605 3.870 ( -3.846 1.174 0.000) 4.021 4.025 ( 14.799 14.072 0.000) 20.421 4.091 ( 5.001 7.878 0.000) 9.331 4.241 ( -1.635 5.630 0.000) 5.862 4.255 ( -2.322 2.597 0.000) 3.484 4.346 ( -9.202 29.024 0.000) 30.448 4.422 ( -9.847 9.593 0.000) 13.748 4.924 ( 2.958 -3.194 0.000) 4.353 5.104 ( -13.432 -9.848 0.000) 16.655 5.228 ( 6.011 9.170 0.000) 10.965 5.252 ( 3.080 0.102 0.000) 3.082 5.539 ( -3.587 0.579 0.000) 3.634 5.573 ( -2.968 -0.554 0.000) 3.019 5.721 ( 1.183 -3.614 0.000) 3.803 5.809 ( -6.373 -0.527 0.000) 6.395 6.021 ( 10.432 2.452 0.000) 10.716 6.244 ( -10.647 -2.365 0.000) 10.907 6.477 ( 2.501 -9.455 0.000) 9.780 6.605 ( -10.670 -7.352 0.000) 12.958 6.787 ( 3.534 -4.741 0.000) 5.913 6.871 ( -4.732 -2.104 0.000) 5.178 7.297 ( 6.313 -5.843 0.000) 8.602 7.412 ( -5.061 -3.337 0.000) 6.062 7.522 ( 1.924 11.354 0.000) 11.515 7.528 ( 1.958 10.183 0.000) 10.369 7.837 ( 8.434 13.499 0.000) 15.917 8.048 ( -12.292 15.689 0.000) 19.931 8.180 ( 2.501 -0.411 0.000) 2.535 8.216 ( -0.105 9.634 0.000) 9.635 8.368 ( 12.798 -5.914 0.000) 14.099 8.503 ( 11.767 0.448 0.000) 11.775 8.583 ( -11.015 7.824 0.000) 13.511 8.729 ( -9.320 -1.024 0.000) 9.377 9.115 ( 0.626 13.529 0.000) 13.544 9.146 ( -1.730 11.709 0.000) 11.836 9.287 ( 8.438 2.765 0.000) 8.879 9.455 ( -8.683 -6.278 0.000) 10.714 9.671 ( 11.723 -11.052 0.000) 16.111 9.847 ( -6.541 -7.691 0.000) 10.097 9.970 ( 16.248 -13.870 0.000) 21.363 10.269 ( -14.227 -15.374 0.000) 20.947 10.552 ( 8.286 -5.481 0.000) 9.935 10.619 ( 9.429 -0.646 0.000) 9.451 10.661 ( -7.572 -10.793 0.000) 13.184 10.894 ( -13.324 -2.787 0.000) 13.612 11.263 ( 5.530 -8.130 0.000) 9.832 11.342 ( -1.092 -9.323 0.000) 9.387 11.603 ( 1.049 0.467 0.000) 1.149 11.611 ( 0.044 2.473 0.000) 2.473 12.054 ( 3.542 5.550 0.000) 6.584 12.086 ( 1.827 -6.478 0.000) 6.731 12.423 ( -1.902 2.082 0.000) 2.820 12.471 ( -5.545 -14.459 0.000) 15.485 12.605 ( 3.386 15.993 0.000) 16.347 12.666 ( -3.039 10.637 0.000) 11.062 13.464 ( 1.107 8.150 0.000) 8.224 13.525 ( -2.472 5.716 0.000) 6.227 13.706 ( -1.145 5.490 0.000) 5.608 13.777 ( -6.793 4.701 0.000) 8.261 14.109 ( 3.289 -2.325 0.000) 4.028 14.170 ( -2.836 -2.502 0.000) 3.782 14.241 ( -0.096 -4.446 0.000) 4.447 14.244 ( -0.606 -6.413 0.000) 6.442 14.874 ( 1.733 13.347 0.000) 13.459 14.907 ( -1.233 8.776 0.000) 8.862 15.368 ( 5.241 2.536 0.000) 5.822 15.460 ( -4.551 -0.863 0.000) 4.632 22.130 ( 22.742 4.707 0.000) 23.224 22.417 ( -6.474 2.945 0.000) 7.113 22.601 ( -0.365 -0.677 0.000) 0.769 22.620 ( -3.664 0.253 0.000) 3.672 23.115 ( 7.313 -7.323 0.000) 10.349 23.233 ( -6.113 -2.938 0.000) 6.782 23.268 ( 14.057 -10.052 0.000) 17.281 23.474 ( -7.171 -5.470 0.000) 9.019 23.731 ( 0.313 2.129 0.000) 2.152 23.740 ( -0.621 3.913 0.000) 3.962 23.862 ( 5.671 -0.825 0.000) 5.730 23.987 ( -6.774 -2.476 0.000) 7.212 26.043 ( 1.058 6.874 0.000) 6.955 26.073 ( -2.499 8.255 0.000) 8.625 26.398 ( 2.163 0.447 0.000) 2.209 26.449 ( -3.274 0.853 0.000) 3.384 27.292 ( 8.299 5.881 0.000) 10.172 27.477 ( -11.074 5.685 0.000) 12.448 27.750 ( 5.473 -4.039 0.000) 6.802 27.881 ( -7.768 -2.455 0.000) 8.147 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 31.507 0.000) 31.507 2.156 ( 0.000 35.495 0.000) 35.495 2.748 ( 0.000 13.622 0.000) 13.622 2.860 ( 0.000 -19.680 0.000) 19.680 2.959 ( 0.000 20.128 0.000) 20.128 3.317 ( 0.000 -23.799 0.000) 23.799 3.483 ( 0.000 1.706 0.000) 1.706 3.766 ( 0.000 33.885 0.000) 33.885 3.915 ( 0.000 14.122 0.000) 14.122 4.203 ( 0.000 -16.014 0.000) 16.014 4.276 ( 0.000 2.067 0.000) 2.067 4.297 ( 0.000 5.405 0.000) 5.405 4.477 ( 0.000 4.796 0.000) 4.796 4.565 ( 0.000 -0.719 0.000) 0.719 4.656 ( 0.000 -5.728 0.000) 5.728 4.760 ( 0.000 -4.929 0.000) 4.929 4.906 ( 0.000 19.944 0.000) 19.944 5.233 ( 0.000 2.200 0.000) 2.200 5.318 ( 0.000 -1.875 0.000) 1.875 5.462 ( 0.000 27.073 0.000) 27.073 5.541 ( 0.000 5.265 0.000) 5.265 5.644 ( 0.000 -17.453 0.000) 17.453 5.868 ( 0.000 0.189 0.000) 0.189 6.247 ( 0.000 -14.063 0.000) 14.063 6.287 ( 0.000 -10.535 0.000) 10.535 6.400 ( 0.000 21.478 0.000) 21.478 6.406 ( 0.000 -7.564 0.000) 7.564 6.720 ( 0.000 6.033 0.000) 6.033 6.757 ( 0.000 0.344 0.000) 0.344 6.915 ( 0.000 -9.004 0.000) 9.004 7.056 ( 0.000 8.877 0.000) 8.877 7.369 ( 0.000 -5.321 0.000) 5.321 7.552 ( 0.000 5.236 0.000) 5.236 7.578 ( 0.000 5.823 0.000) 5.823 7.761 ( 0.000 -0.534 0.000) 0.534 7.896 ( 0.000 -8.145 0.000) 8.145 8.052 ( 0.000 13.077 0.000) 13.077 8.112 ( 0.000 14.759 0.000) 14.759 8.409 ( 0.000 -4.198 0.000) 4.198 8.571 ( 0.000 -2.528 0.000) 2.528 8.858 ( 0.000 7.535 0.000) 7.535 8.922 ( 0.000 3.550 0.000) 3.550 9.066 ( 0.000 1.649 0.000) 1.649 9.133 ( 0.000 7.700 0.000) 7.700 9.294 ( 0.000 -7.105 0.000) 7.105 9.330 ( 0.000 -12.567 0.000) 12.567 9.567 ( 0.000 11.731 0.000) 11.731 9.644 ( 0.000 22.597 0.000) 22.597 10.042 ( 0.000 7.678 0.000) 7.678 10.180 ( 0.000 -5.464 0.000) 5.464 10.354 ( 0.000 -18.323 0.000) 18.323 10.653 ( 0.000 -1.071 0.000) 1.071 10.777 ( 0.000 -2.037 0.000) 2.037 10.881 ( 0.000 -14.554 0.000) 14.554 10.896 ( 0.000 -8.151 0.000) 8.151 11.123 ( 0.000 -24.286 0.000) 24.286 11.471 ( 0.000 4.504 0.000) 4.504 11.654 ( 0.000 -5.294 0.000) 5.294 11.684 ( 0.000 7.713 0.000) 7.713 11.876 ( 0.000 -0.175 0.000) 0.175 12.416 ( 0.000 -8.656 0.000) 8.656 12.718 ( 0.000 -23.043 0.000) 23.043 12.826 ( 0.000 12.876 0.000) 12.876 12.876 ( 0.000 8.394 0.000) 8.394 13.713 ( 0.000 4.623 0.000) 4.623 13.824 ( 0.000 -2.780 0.000) 2.780 14.019 ( 0.000 3.832 0.000) 3.832 14.107 ( 0.000 -0.280 0.000) 0.280 14.152 ( 0.000 4.860 0.000) 4.860 14.223 ( 0.000 -1.229 0.000) 1.229 14.240 ( 0.000 -1.987 0.000) 1.987 14.242 ( 0.000 -2.682 0.000) 2.682 15.049 ( 0.000 10.873 0.000) 10.873 15.343 ( 0.000 15.705 0.000) 15.705 15.485 ( 0.000 -9.658 0.000) 9.658 15.669 ( 0.000 -0.111 0.000) 0.111 20.877 ( 0.000 0.782 0.000) 0.782 20.909 ( 0.000 -0.794 0.000) 0.794 22.482 ( 0.000 4.139 0.000) 4.139 22.673 ( 0.000 -5.266 0.000) 5.266 22.799 ( 0.000 3.444 0.000) 3.444 22.949 ( 0.000 -3.841 0.000) 3.841 23.483 ( 0.000 2.156 0.000) 2.156 23.583 ( 0.000 -2.097 0.000) 2.097 23.708 ( 0.000 0.506 0.000) 0.506 23.744 ( 0.000 -0.872 0.000) 0.872 23.914 ( 0.000 6.731 0.000) 6.731 24.111 ( 0.000 -3.912 0.000) 3.912 26.136 ( 0.000 7.155 0.000) 7.155 26.326 ( 0.000 -1.939 0.000) 1.939 26.507 ( 0.000 6.478 0.000) 6.478 26.682 ( 0.000 -1.642 0.000) 1.642 27.187 ( 0.000 8.406 0.000) 8.406 27.481 ( 0.000 -6.055 0.000) 6.055 28.048 ( 0.000 4.118 0.000) 4.118 28.160 ( 0.000 -1.287 0.000) 1.287 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 2.774 28.311 0.000) 28.447 2.183 ( 3.035 31.635 0.000) 31.780 2.759 ( -6.720 -17.725 0.000) 18.956 2.861 ( 10.859 14.127 0.000) 17.818 2.909 ( -4.415 10.062 0.000) 10.988 3.355 ( 2.921 -1.680 0.000) 3.369 3.526 ( 5.436 -10.447 0.000) 11.777 3.810 ( 2.171 28.231 0.000) 28.314 3.874 ( -4.346 16.182 0.000) 16.755 4.087 ( -8.772 -9.846 0.000) 13.186 4.104 ( -11.350 5.071 0.000) 12.431 4.247 ( -8.309 -1.519 0.000) 8.447 4.508 ( 0.926 6.462 0.000) 6.528 4.586 ( -4.169 -0.070 0.000) 4.170 4.622 ( 3.727 -0.707 0.000) 3.793 4.822 ( 3.283 -4.300 0.000) 5.410 4.979 ( 6.413 16.453 0.000) 17.659 5.222 ( -1.619 0.214 0.000) 1.633 5.264 ( -2.194 -3.573 0.000) 4.193 5.366 ( -4.302 21.382 0.000) 21.811 5.544 ( -11.640 4.342 0.000) 12.423 5.625 ( -2.056 -16.643 0.000) 16.770 5.798 ( 1.701 4.669 0.000) 4.969 6.088 ( -15.305 -3.696 0.000) 15.745 6.334 ( 2.898 -12.405 0.000) 12.739 6.355 ( -4.669 19.898 0.000) 20.438 6.426 ( 3.573 -11.402 0.000) 11.949 6.658 ( -5.093 9.089 0.000) 10.419 6.870 ( 7.204 -0.118 0.000) 7.205 7.025 ( 5.689 -7.817 0.000) 9.668 7.035 ( -3.046 4.229 0.000) 5.212 7.400 ( 2.378 -5.278 0.000) 5.789 7.483 ( -0.458 4.169 0.000) 4.194 7.587 ( 3.536 7.753 0.000) 8.522 7.672 ( -7.375 -4.007 0.000) 8.393 7.935 ( 3.617 -7.919 0.000) 8.706 8.052 ( -2.436 14.089 0.000) 14.298 8.224 ( 13.026 14.833 0.000) 19.741 8.399 ( -1.285 -1.337 0.000) 1.855 8.759 ( -8.746 6.367 0.000) 10.818 8.805 ( 18.825 -8.263 0.000) 20.559 8.933 ( -1.613 -0.761 0.000) 1.784 9.081 ( 2.106 2.872 0.000) 3.561 9.096 ( -3.011 12.383 0.000) 12.744 9.317 ( -1.195 -8.435 0.000) 8.519 9.335 ( 4.364 -7.190 0.000) 8.411 9.547 ( -1.419 12.610 0.000) 12.689 9.595 ( -4.587 19.415 0.000) 19.949 10.027 ( -1.430 7.023 0.000) 7.167 10.187 ( 1.640 -6.513 0.000) 6.716 10.313 ( -4.414 -17.783 0.000) 18.323 10.645 ( -0.892 2.086 0.000) 2.269 10.691 ( -7.622 -11.164 0.000) 13.517 10.909 ( 1.819 -8.016 0.000) 8.220 10.975 ( 6.968 -9.315 0.000) 11.633 11.124 ( 0.056 -18.014 0.000) 18.014 11.495 ( 2.029 1.958 0.000) 2.819 11.672 ( 2.040 -6.284 0.000) 6.607 11.700 ( 1.122 7.713 0.000) 7.794 11.924 ( 4.426 -0.566 0.000) 4.462 12.387 ( -2.671 -8.592 0.000) 8.998 12.660 ( -4.674 -19.615 0.000) 20.164 12.821 ( -0.476 12.144 0.000) 12.153 12.850 ( -2.804 8.858 0.000) 9.291 13.696 ( -1.525 5.097 0.000) 5.321 13.824 ( -0.252 -2.893 0.000) 2.904 13.948 ( -7.262 5.511 0.000) 9.116 14.078 ( -4.050 1.952 0.000) 4.496 14.123 ( -2.665 4.063 0.000) 4.859 14.168 ( -2.925 -2.996 0.000) 4.187 14.211 ( -1.225 -1.979 0.000) 2.328 14.239 ( -2.658 -2.942 0.000) 3.965 15.060 ( 1.113 10.863 0.000) 10.920 15.345 ( 0.261 11.502 0.000) 11.505 15.462 ( -15.661 8.157 0.000) 17.658 15.474 ( -1.107 -8.758 0.000) 8.827 21.135 ( 25.011 3.460 0.000) 25.249 21.383 ( 41.283 -11.533 0.000) 42.863 22.489 ( 0.743 4.007 0.000) 4.076 22.670 ( -0.363 -4.818 0.000) 4.831 22.795 ( -0.197 3.679 0.000) 3.685 22.959 ( 1.100 -4.344 0.000) 4.481 23.455 ( -2.996 2.309 0.000) 3.782 23.566 ( -1.809 -2.507 0.000) 3.092 23.716 ( 0.774 0.506 0.000) 0.925 23.750 ( 0.743 -0.752 0.000) 1.058 23.898 ( -1.561 6.325 0.000) 6.515 24.092 ( -2.104 -4.040 0.000) 4.555 26.141 ( 0.579 7.157 0.000) 7.180 26.332 ( 0.638 -1.964 0.000) 2.065 26.447 ( -5.642 7.305 0.000) 9.230 26.630 ( -4.780 -1.469 0.000) 5.001 27.213 ( 2.766 8.418 0.000) 8.860 27.507 ( 2.360 -6.370 0.000) 6.793 27.981 ( -6.732 4.715 0.000) 8.218 28.115 ( -4.633 -1.809 0.000) 4.974 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 15.020 20.811 0.000) 25.665 2.279 ( 6.838 22.478 0.000) 23.495 2.732 ( 3.956 -15.064 0.000) 15.575 2.810 ( -5.103 0.175 0.000) 5.106 3.115 ( 13.317 17.231 0.000) 21.777 3.429 ( 6.315 12.591 0.000) 14.086 3.627 ( -15.624 11.379 0.000) 19.328 3.704 ( 12.577 -15.663 0.000) 20.087 3.830 ( -3.863 20.051 0.000) 20.420 3.925 ( -7.760 -4.158 0.000) 8.803 3.954 ( -8.359 -0.840 0.000) 8.401 4.128 ( 1.836 7.534 0.000) 7.755 4.481 ( -7.898 6.133 0.000) 9.999 4.485 ( -5.152 7.270 0.000) 8.910 4.642 ( 0.720 3.865 0.000) 3.932 4.854 ( -0.257 -0.741 0.000) 0.784 4.996 ( -7.293 4.574 0.000) 8.608 5.195 ( -19.408 0.269 0.000) 19.410 5.235 ( 7.754 4.296 0.000) 8.864 5.314 ( -2.927 9.561 0.000) 9.999 5.389 ( 12.416 -6.486 0.000) 14.008 5.570 ( -3.065 -12.760 0.000) 13.123 5.763 ( -9.833 6.452 0.000) 11.761 5.914 ( 1.116 9.199 0.000) 9.266 6.237 ( -6.820 16.794 0.000) 18.126 6.307 ( -4.984 -8.862 0.000) 10.167 6.513 ( 3.126 -13.957 0.000) 14.303 6.560 ( -4.953 10.879 0.000) 11.954 6.841 ( -8.289 3.537 0.000) 9.012 6.942 ( -6.041 0.702 0.000) 6.082 7.089 ( 2.404 -6.445 0.000) 6.878 7.404 ( -2.900 -7.604 0.000) 8.138 7.565 ( 6.205 4.021 0.000) 7.394 7.676 ( 5.155 11.080 0.000) 12.220 7.776 ( 18.328 -8.279 0.000) 20.111 8.014 ( 4.304 -7.128 0.000) 8.326 8.026 ( -0.181 11.181 0.000) 11.182 8.301 ( -3.267 -2.539 0.000) 4.138 8.529 ( 12.648 16.464 0.000) 20.761 8.541 ( -13.417 6.422 0.000) 14.875 8.816 ( -10.334 -6.288 0.000) 12.096 9.030 ( -4.577 15.560 0.000) 16.219 9.063 ( 5.879 -7.969 0.000) 9.903 9.245 ( 15.159 -2.228 0.000) 15.322 9.310 ( 0.956 -0.483 0.000) 1.071 9.465 ( 9.125 -5.176 0.000) 10.491 9.487 ( -6.422 13.246 0.000) 14.720 9.542 ( 2.245 13.759 0.000) 13.941 9.988 ( -3.051 6.259 0.000) 6.963 10.185 ( -8.849 -16.085 0.000) 18.358 10.260 ( 5.318 -11.319 0.000) 12.506 10.525 ( -8.715 -16.290 0.000) 18.475 10.630 ( 0.239 8.363 0.000) 8.366 10.928 ( -0.532 -4.820 0.000) 4.850 11.104 ( 5.208 -11.476 0.000) 12.603 11.117 ( -0.730 -10.459 0.000) 10.484 11.541 ( 2.976 0.220 0.000) 2.984 11.701 ( -1.382 6.162 0.000) 6.315 11.734 ( 4.264 -9.583 0.000) 10.489 12.003 ( 2.100 -4.148 0.000) 4.650 12.341 ( -0.793 -4.445 0.000) 4.515 12.621 ( 2.098 -11.413 0.000) 11.605 12.756 ( -6.604 10.436 0.000) 12.350 12.816 ( -0.644 8.987 0.000) 9.010 13.667 ( -1.211 5.591 0.000) 5.721 13.777 ( -8.965 10.363 0.000) 13.703 13.800 ( -2.456 -1.736 0.000) 3.008 13.967 ( -6.990 2.118 0.000) 7.304 14.073 ( -1.857 1.607 0.000) 2.456 14.135 ( -0.983 -5.190 0.000) 5.282 14.171 ( -3.751 -3.568 0.000) 5.177 14.181 ( -1.689 -3.650 0.000) 4.022 15.087 ( 1.515 11.027 0.000) 11.131 15.224 ( -7.559 13.856 0.000) 15.784 15.369 ( 1.343 4.504 0.000) 4.700 15.449 ( -1.410 -6.455 0.000) 6.608 21.713 ( 32.025 7.281 0.000) 32.842 22.167 ( 34.565 -17.593 0.000) 38.785 22.505 ( 0.646 3.683 0.000) 3.739 22.655 ( -1.443 -3.381 0.000) 3.676 22.814 ( 3.589 3.190 0.000) 4.802 22.996 ( 3.047 -5.333 0.000) 6.142 23.365 ( -6.587 2.269 0.000) 6.967 23.505 ( -4.932 -3.896 0.000) 6.285 23.737 ( 1.334 0.753 0.000) 1.532 23.777 ( 2.185 -0.792 0.000) 2.324 23.858 ( -2.547 5.094 0.000) 5.696 24.029 ( -4.375 -4.035 0.000) 5.952 26.158 ( 1.134 7.255 0.000) 7.343 26.328 ( -5.994 8.410 0.000) 10.327 26.351 ( 1.366 -2.023 0.000) 2.441 26.529 ( -5.213 -1.546 0.000) 5.438 27.292 ( 5.356 7.788 0.000) 9.452 27.565 ( 3.839 -6.037 0.000) 7.154 27.808 ( -10.656 5.923 0.000) 12.192 27.989 ( -8.172 -2.931 0.000) 8.681 ======================= Grid point 24 (16/80) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 12.386 13.752 0.000) 18.508 2.401 ( 3.342 13.251 0.000) 13.666 2.750 ( 0.091 -2.838 0.000) 2.840 2.793 ( -0.790 -9.522 0.000) 9.554 3.294 ( 5.392 19.650 0.000) 20.376 3.389 ( -7.409 14.823 0.000) 16.571 3.621 ( 10.670 13.622 0.000) 17.303 3.743 ( -5.026 16.438 0.000) 17.189 3.815 ( -2.160 -2.530 0.000) 3.326 3.834 ( -1.916 -2.358 0.000) 3.039 3.968 ( 13.545 -8.300 0.000) 15.885 4.176 ( -4.394 0.503 0.000) 4.423 4.302 ( -5.865 6.703 0.000) 8.907 4.334 ( -7.376 3.079 0.000) 7.993 4.700 ( 4.974 0.078 0.000) 4.974 4.818 ( -2.880 -4.112 0.000) 5.020 4.857 ( -4.997 7.850 0.000) 9.305 4.873 ( -11.863 7.124 0.000) 13.837 5.275 ( 0.064 -2.541 0.000) 2.542 5.317 ( -1.834 -3.805 0.000) 4.224 5.584 ( 5.232 1.525 0.000) 5.450 5.655 ( -2.227 11.135 0.000) 11.356 5.663 ( 14.715 -2.667 0.000) 14.955 5.887 ( -6.528 8.959 0.000) 11.085 6.136 ( -2.514 11.313 0.000) 11.589 6.175 ( -6.401 -3.065 0.000) 7.097 6.481 ( -2.462 6.281 0.000) 6.746 6.500 ( -3.713 -6.217 0.000) 7.241 6.748 ( 0.835 3.003 0.000) 3.117 6.824 ( -5.785 0.056 0.000) 5.785 7.157 ( 5.785 -9.592 0.000) 11.202 7.295 ( -7.592 -9.463 0.000) 12.132 7.719 ( 6.464 9.902 0.000) 11.825 7.753 ( 2.089 11.756 0.000) 11.940 8.052 ( 5.448 8.874 0.000) 10.413 8.088 ( 2.893 -5.268 0.000) 6.010 8.130 ( 10.057 -11.344 0.000) 15.160 8.276 ( 6.554 -4.298 0.000) 7.838 8.281 ( -12.474 6.257 0.000) 13.955 8.560 ( -15.881 -8.744 0.000) 18.129 8.747 ( 9.946 17.770 0.000) 20.364 8.913 ( -7.479 16.955 0.000) 18.531 9.175 ( 6.695 -4.305 0.000) 7.960 9.303 ( -4.940 -5.639 0.000) 7.497 9.395 ( -0.403 15.269 0.000) 15.274 9.405 ( 1.091 4.771 0.000) 4.894 9.665 ( 12.177 5.380 0.000) 13.313 9.721 ( 14.076 -6.554 0.000) 15.527 9.879 ( -8.969 4.404 0.000) 9.991 9.981 ( -12.302 -11.963 0.000) 17.160 10.342 ( 2.658 -15.396 0.000) 15.624 10.395 ( -4.259 -16.140 0.000) 16.693 10.699 ( 7.243 8.230 0.000) 10.963 10.855 ( -7.216 -0.095 0.000) 7.217 11.122 ( 1.560 -8.789 0.000) 8.926 11.150 ( -0.282 -11.333 0.000) 11.337 11.606 ( 3.337 0.746 0.000) 3.419 11.660 ( -2.434 3.182 0.000) 4.006 11.832 ( 6.055 -12.908 0.000) 14.257 11.956 ( -6.029 -12.570 0.000) 13.941 12.416 ( 8.191 7.035 0.000) 10.797 12.597 ( -9.596 10.644 0.000) 14.331 12.713 ( 5.626 -3.941 0.000) 6.869 12.792 ( -2.392 3.534 0.000) 4.267 13.649 ( -1.073 6.699 0.000) 6.785 13.655 ( -3.074 10.264 0.000) 10.714 13.762 ( 0.363 0.784 0.000) 0.864 13.833 ( -6.250 1.251 0.000) 6.374 14.065 ( 0.984 -1.716 0.000) 1.978 14.102 ( -2.658 -3.978 0.000) 4.785 14.135 ( 0.325 -4.756 0.000) 4.767 14.152 ( -1.276 -4.795 0.000) 4.962 15.114 ( 1.257 11.816 0.000) 11.883 15.142 ( -2.081 13.313 0.000) 13.475 15.397 ( 1.428 -0.194 0.000) 1.441 15.423 ( -1.309 -3.536 0.000) 3.770 22.244 ( 21.228 7.304 0.000) 22.449 22.485 ( -4.597 4.055 0.000) 6.130 22.547 ( 6.656 -5.637 0.000) 8.722 22.611 ( -2.698 -1.465 0.000) 3.071 23.000 ( 12.842 -3.094 0.000) 13.209 23.112 ( 11.081 -6.644 0.000) 12.920 23.205 ( -9.772 0.345 0.000) 9.778 23.358 ( -10.974 -6.379 0.000) 12.694 23.766 ( 1.831 1.747 0.000) 2.531 23.808 ( -2.493 3.341 0.000) 4.169 23.838 ( 4.189 -1.712 0.000) 4.525 23.932 ( -5.412 -3.167 0.000) 6.271 26.186 ( 1.875 7.665 0.000) 7.891 26.235 ( -3.565 8.325 0.000) 9.056 26.386 ( 2.312 -2.041 0.000) 3.084 26.443 ( -3.702 -1.878 0.000) 4.152 27.419 ( 8.011 7.225 0.000) 10.788 27.599 ( -10.638 6.840 0.000) 12.647 27.665 ( 6.792 -5.088 0.000) 8.487 27.820 ( -8.994 -4.083 0.000) 9.877 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 2.403 ( 0.000 -27.599 0.000) 27.599 2.403 ( 0.000 27.599 0.000) 27.599 2.761 ( 0.000 -25.887 0.000) 25.887 2.761 ( 0.000 25.887 0.000) 25.887 3.021 ( 0.000 -5.196 0.000) 5.196 3.021 ( 0.000 5.196 0.000) 5.196 3.798 ( 0.000 -24.531 0.000) 24.531 3.798 ( 0.000 24.531 0.000) 24.531 4.106 ( 0.000 -1.144 0.000) 1.144 4.106 ( 0.000 1.144 0.000) 1.144 4.302 ( 0.000 -0.084 0.000) 0.084 4.302 ( 0.000 0.084 0.000) 0.084 4.536 ( 0.000 -2.239 0.000) 2.239 4.536 ( 0.000 2.239 0.000) 2.239 4.626 ( 0.000 -4.012 0.000) 4.012 4.626 ( 0.000 4.012 0.000) 4.012 5.238 ( 0.000 -6.801 0.000) 6.801 5.238 ( 0.000 6.801 0.000) 6.801 5.324 ( 0.000 -10.414 0.000) 10.414 5.324 ( 0.000 10.414 0.000) 10.414 5.748 ( 0.000 -5.288 0.000) 5.288 5.748 ( 0.000 5.288 0.000) 5.288 5.945 ( 0.000 -10.310 0.000) 10.310 5.945 ( 0.000 10.310 0.000) 10.310 6.237 ( 0.000 -6.539 0.000) 6.539 6.237 ( 0.000 6.539 0.000) 6.539 6.715 ( 0.000 -9.143 0.000) 9.143 6.715 ( 0.000 9.143 0.000) 9.143 6.792 ( 0.000 -3.843 0.000) 3.843 6.792 ( 0.000 3.843 0.000) 3.843 7.223 ( 0.000 -8.725 0.000) 8.725 7.223 ( 0.000 8.725 0.000) 8.725 7.687 ( 0.000 -5.458 0.000) 5.458 7.687 ( 0.000 5.458 0.000) 5.458 7.714 ( 0.000 -10.417 0.000) 10.417 7.714 ( 0.000 10.417 0.000) 10.417 8.277 ( 0.000 -9.660 0.000) 9.660 8.277 ( 0.000 9.660 0.000) 9.660 8.400 ( 0.000 -13.800 0.000) 13.800 8.400 ( 0.000 13.800 0.000) 13.800 8.880 ( 0.000 -2.549 0.000) 2.549 8.880 ( 0.000 2.549 0.000) 2.549 9.151 ( 0.000 -6.857 0.000) 6.857 9.151 ( 0.000 6.857 0.000) 6.857 9.276 ( 0.000 -1.016 0.000) 1.016 9.276 ( 0.000 1.016 0.000) 1.016 9.902 ( 0.000 -20.009 0.000) 20.009 9.902 ( 0.000 20.009 0.000) 20.009 10.015 ( 0.000 -16.720 0.000) 16.720 10.015 ( 0.000 16.720 0.000) 16.720 10.396 ( 0.000 -29.359 0.000) 29.359 10.396 ( 0.000 29.359 0.000) 29.359 10.739 ( 0.000 -7.777 0.000) 7.777 10.739 ( 0.000 7.777 0.000) 7.777 10.847 ( 0.000 -8.225 0.000) 8.225 10.847 ( 0.000 8.225 0.000) 8.225 11.561 ( 0.000 -4.807 0.000) 4.807 11.561 ( 0.000 4.807 0.000) 4.807 11.824 ( 0.000 -5.965 0.000) 5.965 11.824 ( 0.000 5.965 0.000) 5.965 12.406 ( 0.000 -8.600 0.000) 8.600 12.406 ( 0.000 8.600 0.000) 8.600 12.954 ( 0.000 -0.794 0.000) 0.794 12.954 ( 0.000 0.794 0.000) 0.794 13.777 ( 0.000 -2.508 0.000) 2.508 13.777 ( 0.000 2.508 0.000) 2.508 14.086 ( 0.000 -2.521 0.000) 2.521 14.086 ( 0.000 2.521 0.000) 2.521 14.202 ( 0.000 -1.232 0.000) 1.232 14.202 ( 0.000 1.232 0.000) 1.232 14.212 ( 0.000 -0.005 0.000) 0.005 14.212 ( 0.000 0.005 0.000) 0.005 15.277 ( 0.000 -12.109 0.000) 12.109 15.277 ( 0.000 12.109 0.000) 12.109 15.582 ( 0.000 -8.907 0.000) 8.907 15.582 ( 0.000 8.907 0.000) 8.907 20.893 ( 0.000 -0.862 0.000) 0.862 20.893 ( 0.000 0.862 0.000) 0.862 22.572 ( 0.000 -5.226 0.000) 5.226 22.572 ( 0.000 5.226 0.000) 5.226 22.872 ( 0.000 -4.110 0.000) 4.110 22.872 ( 0.000 4.110 0.000) 4.110 23.533 ( 0.000 -2.883 0.000) 2.883 23.533 ( 0.000 2.883 0.000) 2.883 23.724 ( 0.000 -1.056 0.000) 1.056 23.724 ( 0.000 1.056 0.000) 1.056 24.026 ( 0.000 -5.143 0.000) 5.143 24.026 ( 0.000 5.143 0.000) 5.143 26.258 ( 0.000 -5.277 0.000) 5.277 26.258 ( 0.000 5.277 0.000) 5.277 26.619 ( 0.000 -4.876 0.000) 4.876 26.619 ( 0.000 4.876 0.000) 4.876 27.347 ( 0.000 -8.030 0.000) 8.030 27.347 ( 0.000 8.030 0.000) 8.030 28.118 ( 0.000 -3.088 0.000) 3.088 28.118 ( 0.000 3.088 0.000) 3.088 ======================= Grid point 30 (18/80) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 2.352 ( -2.630 -24.725 0.000) 24.864 2.352 ( -2.630 24.725 0.000) 24.864 2.713 ( -3.755 -22.733 0.000) 23.041 2.713 ( -3.755 22.733 0.000) 23.041 3.137 ( 10.879 -14.560 0.000) 18.175 3.137 ( 10.879 14.560 0.000) 18.175 3.773 ( -2.141 -21.450 0.000) 21.556 3.773 ( -2.141 21.450 0.000) 21.556 4.093 ( -5.958 -6.810 0.000) 9.048 4.093 ( -5.958 6.810 0.000) 9.048 4.155 ( -8.381 -2.995 0.000) 8.900 4.155 ( -8.381 2.995 0.000) 8.900 4.588 ( 4.074 -2.802 0.000) 4.944 4.588 ( 4.074 2.802 0.000) 4.944 4.664 ( 2.281 -8.443 0.000) 8.745 4.664 ( 2.281 8.443 0.000) 8.745 5.219 ( -3.412 -1.188 0.000) 3.613 5.219 ( -3.412 1.188 0.000) 3.613 5.304 ( 0.585 -16.634 0.000) 16.644 5.304 ( 0.585 16.634 0.000) 16.644 5.605 ( -13.307 -2.638 0.000) 13.566 5.605 ( -13.307 2.638 0.000) 13.566 6.023 ( 4.900 -15.986 0.000) 16.720 6.023 ( 4.900 15.986 0.000) 16.720 6.190 ( -2.265 -12.843 0.000) 13.041 6.190 ( -2.265 12.843 0.000) 13.041 6.661 ( -5.265 -10.405 0.000) 11.662 6.661 ( -5.265 10.405 0.000) 11.662 6.905 ( 7.819 -4.116 0.000) 8.836 6.905 ( 7.819 4.116 0.000) 8.836 7.214 ( -1.301 -13.136 0.000) 13.200 7.214 ( -1.301 13.136 0.000) 13.200 7.580 ( -5.604 -5.376 0.000) 7.766 7.580 ( -5.604 5.376 0.000) 7.766 7.764 ( 4.614 -9.746 0.000) 10.782 7.764 ( 4.614 9.746 0.000) 10.782 8.265 ( -2.363 -7.852 0.000) 8.200 8.265 ( -2.363 7.852 0.000) 8.200 8.562 ( 14.265 -15.160 0.000) 20.816 8.562 ( 14.265 15.160 0.000) 20.816 8.824 ( -6.004 -5.459 0.000) 8.115 8.824 ( -6.004 5.459 0.000) 8.115 9.182 ( 3.549 -7.360 0.000) 8.171 9.182 ( 3.549 7.360 0.000) 8.171 9.277 ( 0.037 -3.046 0.000) 3.046 9.277 ( 0.037 3.046 0.000) 3.046 9.899 ( 0.271 -20.344 0.000) 20.346 9.899 ( 0.271 20.344 0.000) 20.346 9.956 ( -5.703 -17.036 0.000) 17.965 9.956 ( -5.703 17.036 0.000) 17.965 10.341 ( -5.092 -23.330 0.000) 23.879 10.341 ( -5.092 23.330 0.000) 23.879 10.784 ( 3.960 -10.105 0.000) 10.854 10.784 ( 3.960 10.105 0.000) 10.854 10.879 ( 2.620 -6.416 0.000) 6.931 10.879 ( 2.620 6.416 0.000) 6.931 11.571 ( 1.066 -4.865 0.000) 4.980 11.571 ( 1.066 4.865 0.000) 4.980 11.850 ( 1.867 -7.229 0.000) 7.466 11.850 ( 1.867 7.229 0.000) 7.466 12.382 ( -1.381 -8.387 0.000) 8.500 12.382 ( -1.381 8.387 0.000) 8.500 12.938 ( -1.808 -0.224 0.000) 1.821 12.938 ( -1.808 0.224 0.000) 1.821 13.770 ( -0.694 -3.022 0.000) 3.101 13.770 ( -0.694 3.022 0.000) 3.101 14.045 ( -4.113 -4.550 0.000) 6.133 14.045 ( -4.113 4.550 0.000) 6.133 14.174 ( -2.695 -1.982 0.000) 3.346 14.174 ( -2.695 1.982 0.000) 3.346 14.177 ( -3.459 -3.084 0.000) 4.634 14.177 ( -3.459 3.084 0.000) 4.634 15.281 ( 0.441 -11.429 0.000) 11.438 15.281 ( 0.441 11.429 0.000) 11.438 15.498 ( -6.848 -3.775 0.000) 7.820 15.498 ( -6.848 3.775 0.000) 7.820 21.223 ( 30.885 -6.093 0.000) 31.481 21.223 ( 30.885 6.093 0.000) 31.481 22.576 ( 0.356 -4.953 0.000) 4.966 22.576 ( 0.356 4.953 0.000) 4.966 22.874 ( 0.317 -4.483 0.000) 4.495 22.874 ( 0.317 4.483 0.000) 4.495 23.510 ( -2.556 -3.203 0.000) 4.098 23.510 ( -2.556 3.203 0.000) 4.098 23.731 ( 0.810 -1.051 0.000) 1.327 23.731 ( 0.810 1.051 0.000) 1.327 24.006 ( -2.101 -5.043 0.000) 5.463 24.006 ( -2.101 5.043 0.000) 5.463 26.263 ( 0.601 -5.289 0.000) 5.323 26.263 ( 0.601 5.289 0.000) 5.323 26.567 ( -4.841 -5.059 0.000) 7.002 26.567 ( -4.841 5.059 0.000) 7.002 27.371 ( 2.455 -7.958 0.000) 8.329 27.371 ( 2.455 7.958 0.000) 8.329 28.062 ( -5.645 -3.694 0.000) 6.746 28.062 ( -5.645 3.694 0.000) 6.746 ======================= Grid point 32 (19/80) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 2.403 ( 8.285 -19.319 0.000) 21.020 2.403 ( 8.285 19.319 0.000) 21.020 2.650 ( -2.337 -15.285 0.000) 15.463 2.650 ( -2.337 15.285 0.000) 15.463 3.402 ( 15.883 -14.915 0.000) 21.788 3.402 ( 15.883 14.915 0.000) 21.788 3.740 ( -0.648 -15.219 0.000) 15.233 3.740 ( -0.648 15.219 0.000) 15.233 3.825 ( -14.387 -9.627 0.000) 17.311 3.825 ( -14.387 9.627 0.000) 17.311 4.119 ( -1.073 -9.700 0.000) 9.759 4.119 ( -1.073 9.700 0.000) 9.759 4.608 ( -3.673 -5.885 0.000) 6.937 4.608 ( -3.673 5.885 0.000) 6.937 4.666 ( -3.334 -12.663 0.000) 13.095 4.666 ( -3.334 12.663 0.000) 13.095 5.148 ( -2.215 -10.839 0.000) 11.063 5.148 ( -2.215 10.839 0.000) 11.063 5.306 ( -15.101 -7.117 0.000) 16.694 5.306 ( -15.101 7.117 0.000) 16.694 5.389 ( 8.449 -6.538 0.000) 10.684 5.389 ( 8.449 6.538 0.000) 10.684 6.031 ( -3.975 -16.308 0.000) 16.786 6.031 ( -3.975 16.308 0.000) 16.786 6.222 ( 4.146 -15.894 0.000) 16.426 6.222 ( 4.146 15.894 0.000) 16.426 6.536 ( -7.229 -12.639 0.000) 14.561 6.536 ( -7.229 12.639 0.000) 14.561 6.948 ( -2.678 -7.397 0.000) 7.867 6.948 ( -2.678 7.397 0.000) 7.867 7.156 ( -4.994 -17.465 0.000) 18.165 7.156 ( -4.994 17.465 0.000) 18.165 7.649 ( 12.553 -5.224 0.000) 13.597 7.649 ( 12.553 5.224 0.000) 13.597 7.865 ( 5.347 -8.682 0.000) 10.197 7.865 ( 5.347 8.682 0.000) 10.197 8.205 ( -3.279 -7.296 0.000) 7.998 8.205 ( -3.279 7.296 0.000) 7.998 8.653 ( -11.630 -7.820 0.000) 14.014 8.653 ( -11.630 7.820 0.000) 14.014 8.833 ( 12.596 -14.802 0.000) 19.436 8.833 ( 12.596 14.802 0.000) 19.436 9.263 ( -2.080 -6.954 0.000) 7.259 9.263 ( -2.080 6.954 0.000) 7.259 9.301 ( 9.008 -7.006 0.000) 11.412 9.301 ( 9.008 7.006 0.000) 11.412 9.824 ( -7.356 -18.147 0.000) 19.582 9.824 ( -7.356 18.147 0.000) 19.582 9.929 ( 2.928 -21.045 0.000) 21.248 9.929 ( 2.928 21.045 0.000) 21.248 10.225 ( -6.586 -14.685 0.000) 16.094 10.225 ( -6.586 14.685 0.000) 16.094 10.859 ( 3.443 -13.651 0.000) 14.078 10.859 ( 3.443 13.651 0.000) 14.078 10.922 ( 1.595 -5.853 0.000) 6.066 10.922 ( 1.595 5.853 0.000) 6.066 11.603 ( 2.290 -5.237 0.000) 5.716 11.603 ( 2.290 5.237 0.000) 5.716 11.846 ( -3.040 -9.235 0.000) 9.723 11.846 ( -3.040 9.235 0.000) 9.723 12.415 ( 5.843 -9.214 0.000) 10.910 12.415 ( 5.843 9.214 0.000) 10.910 12.880 ( -4.421 -2.092 0.000) 4.891 12.880 ( -4.421 2.092 0.000) 4.891 13.751 ( -1.118 -3.355 0.000) 3.536 13.751 ( -1.118 3.355 0.000) 3.536 13.934 ( -7.095 -6.087 0.000) 9.348 13.934 ( -7.095 6.087 0.000) 9.348 14.107 ( -3.052 -2.495 0.000) 3.943 14.107 ( -3.052 2.495 0.000) 3.943 14.114 ( -2.993 -3.029 0.000) 4.258 14.114 ( -2.993 3.029 0.000) 4.258 15.293 ( 0.845 -9.903 0.000) 9.939 15.293 ( 0.845 9.903 0.000) 9.939 15.387 ( -4.129 -3.382 0.000) 5.337 15.387 ( -4.129 3.382 0.000) 5.337 21.891 ( 34.420 -11.710 0.000) 36.358 21.891 ( 34.420 11.710 0.000) 36.358 22.582 ( 0.026 -4.160 0.000) 4.160 22.582 ( 0.026 4.160 0.000) 4.160 22.896 ( 2.539 -5.038 0.000) 5.642 22.896 ( 2.539 5.038 0.000) 5.642 23.427 ( -6.427 -4.037 0.000) 7.590 23.427 ( -6.427 4.037 0.000) 7.590 23.756 ( 1.796 -1.211 0.000) 2.166 23.756 ( 1.796 1.211 0.000) 2.166 23.948 ( -3.793 -4.502 0.000) 5.887 23.948 ( -3.793 4.502 0.000) 5.887 26.281 ( 1.288 -5.348 0.000) 5.501 26.281 ( 1.288 5.348 0.000) 5.501 26.462 ( -5.515 -5.477 0.000) 7.772 26.462 ( -5.515 5.477 0.000) 7.772 27.438 ( 4.606 -7.383 0.000) 8.702 27.438 ( 4.606 7.383 0.000) 8.702 27.914 ( -9.409 -4.951 0.000) 10.632 27.914 ( -9.409 4.951 0.000) 10.632 ======================= Grid point 34 (20/80) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 2.574 ( 6.480 -13.134 0.000) 14.646 2.574 ( 6.480 13.134 0.000) 14.646 2.627 ( -0.594 -9.688 0.000) 9.706 2.627 ( -0.594 9.688 0.000) 9.706 3.619 ( 2.596 -14.387 0.000) 14.619 3.619 ( 2.596 14.387 0.000) 14.619 3.643 ( -3.778 -11.639 0.000) 12.236 3.643 ( -3.778 11.639 0.000) 12.236 3.841 ( 13.933 -8.205 0.000) 16.169 3.841 ( 13.933 8.205 0.000) 16.169 4.068 ( -6.045 -11.448 0.000) 12.946 4.068 ( -6.045 11.448 0.000) 12.946 4.489 ( -5.606 -12.958 0.000) 14.119 4.489 ( -5.606 12.958 0.000) 14.119 4.517 ( -9.036 -15.635 0.000) 18.058 4.517 ( -9.036 15.635 0.000) 18.058 5.125 ( -0.830 -13.713 0.000) 13.738 5.125 ( -0.830 13.713 0.000) 13.738 5.132 ( -2.970 -11.078 0.000) 11.470 5.132 ( -2.970 11.078 0.000) 11.470 5.619 ( 14.428 -2.047 0.000) 14.572 5.619 ( 14.428 2.047 0.000) 14.572 5.883 ( -11.622 -9.974 0.000) 15.315 5.883 ( -11.622 9.974 0.000) 15.315 6.300 ( 4.314 -13.584 0.000) 14.252 6.300 ( 4.314 13.584 0.000) 14.252 6.402 ( -6.390 -13.358 0.000) 14.808 6.402 ( -6.390 13.358 0.000) 14.808 6.929 ( 2.478 -13.369 0.000) 13.596 6.929 ( 2.478 13.369 0.000) 13.596 7.032 ( -7.121 -17.157 0.000) 18.576 7.032 ( -7.121 17.157 0.000) 18.576 7.912 ( 10.126 -10.807 0.000) 14.810 7.912 ( 10.126 10.807 0.000) 14.810 7.950 ( 3.046 -8.934 0.000) 9.439 7.950 ( 3.046 8.934 0.000) 9.439 8.185 ( 3.933 -5.520 0.000) 6.778 8.185 ( 3.933 5.520 0.000) 6.778 8.396 ( -14.400 -7.188 0.000) 16.094 8.396 ( -14.400 7.188 0.000) 16.094 9.035 ( 8.973 -11.381 0.000) 14.493 9.035 ( 8.973 11.381 0.000) 14.493 9.183 ( -6.266 -9.827 0.000) 11.654 9.183 ( -6.266 9.827 0.000) 11.654 9.501 ( 10.750 -7.736 0.000) 13.245 9.501 ( 10.750 7.736 0.000) 13.245 9.681 ( -7.988 -14.509 0.000) 16.562 9.681 ( -7.988 14.509 0.000) 16.562 10.002 ( 4.500 -19.180 0.000) 19.701 10.002 ( 4.500 19.180 0.000) 19.701 10.102 ( -5.984 -13.398 0.000) 14.673 10.102 ( -5.984 13.398 0.000) 14.673 10.911 ( 1.970 -13.109 0.000) 13.256 10.911 ( 1.970 13.109 0.000) 13.256 10.934 ( -0.372 -8.645 0.000) 8.653 10.934 ( -0.372 8.645 0.000) 8.653 11.662 ( 4.019 -5.526 0.000) 6.833 11.662 ( 4.019 5.526 0.000) 6.833 11.755 ( -5.445 -7.572 0.000) 9.327 11.755 ( -5.445 7.572 0.000) 9.327 12.581 ( 10.119 -8.816 0.000) 13.421 12.581 ( 10.119 8.816 0.000) 13.421 12.761 ( -8.063 -5.914 0.000) 10.000 12.761 ( -8.063 5.914 0.000) 10.000 13.744 ( 1.015 -2.842 0.000) 3.018 13.744 ( 1.015 2.842 0.000) 3.018 13.806 ( -5.426 -4.839 0.000) 7.270 13.806 ( -5.426 4.839 0.000) 7.270 14.070 ( -0.844 -1.357 0.000) 1.598 14.070 ( -0.844 1.357 0.000) 1.598 14.073 ( -1.183 -2.797 0.000) 3.037 14.073 ( -1.183 2.797 0.000) 3.037 15.312 ( 1.052 -8.344 0.000) 8.410 15.312 ( 1.052 8.344 0.000) 8.410 15.336 ( -1.639 -6.686 0.000) 6.884 15.336 ( -1.639 6.686 0.000) 6.884 22.401 ( 16.650 -8.780 0.000) 18.823 22.401 ( 16.650 8.780 0.000) 18.823 22.561 ( -2.940 -3.642 0.000) 4.680 22.561 ( -2.940 3.642 0.000) 4.680 23.012 ( 10.565 -3.607 0.000) 11.163 23.012 ( 10.565 3.607 0.000) 11.163 23.251 ( -11.969 -4.408 0.000) 12.755 23.251 ( -11.969 4.408 0.000) 12.755 23.801 ( 3.012 -1.964 0.000) 3.596 23.801 ( 3.012 1.964 0.000) 3.596 23.870 ( -4.067 -3.291 0.000) 5.231 23.870 ( -4.067 3.291 0.000) 5.231 26.314 ( 2.251 -5.501 0.000) 5.944 26.314 ( 2.251 5.501 0.000) 5.944 26.371 ( -3.824 -5.645 0.000) 6.818 26.371 ( -3.824 5.645 0.000) 6.818 27.553 ( 7.554 -6.689 0.000) 10.090 27.553 ( 7.554 6.689 0.000) 10.090 27.724 ( -9.926 -6.035 0.000) 11.617 27.724 ( -9.926 6.035 0.000) 11.617 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 0.729 ( 0.000 0.000 37.002) 37.002 0.802 ( 0.000 0.000 40.982) 40.982 1.162 ( 0.000 0.000 58.667) 58.667 1.629 ( 0.000 0.000 -2.491) 2.491 1.865 ( 0.000 0.000 2.820) 2.820 3.270 ( 0.000 0.000 -6.336) 6.336 3.331 ( 0.000 0.000 -6.843) 6.843 3.447 ( 0.000 0.000 2.309) 2.309 3.465 ( 0.000 0.000 1.747) 1.747 3.466 ( 0.000 0.000 -4.901) 4.901 3.763 ( 0.000 0.000 -0.388) 0.388 3.970 ( 0.000 0.000 -16.586) 16.586 4.150 ( 0.000 0.000 -2.625) 2.625 4.331 ( 0.000 0.000 -0.126) 0.126 4.556 ( 0.000 0.000 5.830) 5.830 4.615 ( 0.000 0.000 -16.535) 16.535 4.857 ( 0.000 0.000 -10.840) 10.840 4.878 ( 0.000 0.000 1.032) 1.032 5.220 ( 0.000 0.000 1.208) 1.208 5.297 ( 0.000 0.000 -5.895) 5.895 5.710 ( 0.000 0.000 14.284) 14.284 5.978 ( 0.000 0.000 -19.558) 19.558 6.107 ( 0.000 0.000 -10.635) 10.635 6.328 ( 0.000 0.000 12.918) 12.918 6.531 ( 0.000 0.000 0.208) 0.208 6.628 ( 0.000 0.000 7.765) 7.765 6.647 ( 0.000 0.000 -0.651) 0.651 6.832 ( 0.000 0.000 0.838) 0.838 6.852 ( 0.000 0.000 -15.285) 15.285 6.899 ( 0.000 0.000 11.782) 11.782 7.181 ( 0.000 0.000 3.875) 3.875 7.229 ( 0.000 0.000 1.714) 1.714 7.374 ( 0.000 0.000 0.648) 0.648 7.375 ( 0.000 0.000 6.110) 6.110 7.395 ( 0.000 0.000 -2.124) 2.124 7.568 ( 0.000 0.000 7.516) 7.516 7.635 ( 0.000 0.000 -3.450) 3.450 7.655 ( 0.000 0.000 -4.270) 4.270 8.202 ( 0.000 0.000 9.231) 9.231 8.429 ( 0.000 0.000 3.738) 3.738 8.523 ( 0.000 0.000 0.393) 0.393 8.537 ( 0.000 0.000 4.822) 4.822 8.673 ( 0.000 0.000 -0.197) 0.197 9.105 ( 0.000 0.000 0.453) 0.453 9.210 ( 0.000 0.000 2.935) 2.935 9.238 ( 0.000 0.000 -3.115) 3.115 9.383 ( 0.000 0.000 -6.940) 6.940 9.615 ( 0.000 0.000 2.662) 2.662 10.090 ( 0.000 0.000 17.676) 17.676 10.285 ( 0.000 0.000 -8.706) 8.706 10.814 ( 0.000 0.000 8.054) 8.054 10.877 ( 0.000 0.000 -9.275) 9.275 11.028 ( 0.000 0.000 -5.914) 5.914 11.173 ( 0.000 0.000 -6.423) 6.423 11.430 ( 0.000 0.000 4.269) 4.269 11.493 ( 0.000 0.000 -0.572) 0.572 11.502 ( 0.000 0.000 5.553) 5.553 11.578 ( 0.000 0.000 -0.150) 0.150 11.652 ( 0.000 0.000 -0.660) 0.660 11.826 ( 0.000 0.000 0.252) 0.252 12.028 ( 0.000 0.000 9.155) 9.155 12.310 ( 0.000 0.000 -5.091) 5.091 13.176 ( 0.000 0.000 -14.895) 14.895 13.213 ( 0.000 0.000 -14.241) 14.241 13.397 ( 0.000 0.000 -4.788) 4.788 13.577 ( 0.000 0.000 -14.909) 14.909 13.964 ( 0.000 0.000 -2.517) 2.517 13.971 ( 0.000 0.000 6.110) 6.110 14.158 ( 0.000 0.000 -1.480) 1.480 14.177 ( 0.000 0.000 -8.685) 8.685 14.331 ( 0.000 0.000 9.170) 9.170 14.505 ( 0.000 0.000 3.587) 3.587 14.641 ( 0.000 0.000 14.414) 14.414 14.921 ( 0.000 0.000 13.572) 13.572 15.776 ( 0.000 0.000 1.602) 1.602 16.209 ( 0.000 0.000 -2.260) 2.260 20.855 ( 0.000 0.000 0.256) 0.256 20.929 ( 0.000 0.000 -0.561) 0.561 22.721 ( 0.000 0.000 1.656) 1.656 22.882 ( 0.000 0.000 1.763) 1.763 23.086 ( 0.000 0.000 1.374) 1.374 23.476 ( 0.000 0.000 -2.014) 2.014 23.478 ( 0.000 0.000 0.674) 0.674 23.566 ( 0.000 0.000 0.089) 0.089 23.567 ( 0.000 0.000 0.032) 0.032 23.598 ( 0.000 0.000 0.545) 0.545 23.691 ( 0.000 0.000 -1.661) 1.661 23.720 ( 0.000 0.000 -0.796) 0.796 25.561 ( 0.000 0.000 0.251) 0.251 25.831 ( 0.000 0.000 -4.558) 4.558 26.287 ( 0.000 0.000 1.332) 1.332 26.564 ( 0.000 0.000 -1.663) 1.663 26.668 ( 0.000 0.000 2.986) 2.986 26.923 ( 0.000 0.000 0.317) 0.317 28.177 ( 0.000 0.000 2.153) 2.153 28.632 ( 0.000 0.000 -3.467) 3.467 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 18.991 0.000 26.615) 32.696 0.939 ( 19.462 0.000 25.504) 32.081 1.618 ( 34.754 0.000 43.659) 55.803 1.687 ( 6.766 0.000 -2.989) 7.397 2.010 ( 12.801 0.000 2.505) 13.044 3.170 ( -9.327 0.000 -3.748) 10.052 3.294 ( -2.849 0.000 -6.762) 7.338 3.313 ( -8.364 0.000 -10.025) 13.056 3.419 ( -3.838 0.000 2.232) 4.440 3.519 ( 5.067 0.000 0.221) 5.071 3.597 ( -11.724 0.000 -1.461) 11.815 4.015 ( -3.698 0.000 -12.436) 12.974 4.068 ( -7.743 0.000 -1.918) 7.977 4.308 ( 0.845 0.000 -1.838) 2.023 4.539 ( -6.770 0.000 -15.304) 16.735 4.626 ( 6.922 0.000 5.544) 8.869 4.800 ( -5.666 0.000 -0.476) 5.686 4.876 ( 2.422 0.000 -2.345) 3.371 5.196 ( -5.355 0.000 -2.792) 6.040 5.381 ( 8.238 0.000 -5.820) 10.087 5.673 ( -3.772 0.000 6.616) 7.616 5.964 ( -2.897 0.000 -13.978) 14.275 6.050 ( -5.746 0.000 -8.763) 10.479 6.260 ( -16.157 0.000 4.637) 16.810 6.346 ( -5.296 0.000 5.823) 7.871 6.361 ( -11.409 0.000 1.445) 11.500 6.790 ( -0.920 0.000 3.022) 3.159 6.896 ( 3.705 0.000 5.214) 6.397 6.932 ( 4.107 0.000 -13.009) 13.642 6.964 ( 13.930 0.000 4.722) 14.709 7.208 ( 3.805 0.000 1.374) 4.046 7.246 ( 1.319 0.000 1.852) 2.274 7.318 ( -3.463 0.000 1.638) 3.831 7.426 ( 2.594 0.000 2.462) 3.577 7.476 ( -2.441 0.000 7.386) 7.779 7.511 ( -6.762 0.000 -2.323) 7.150 7.674 ( -1.846 0.000 1.049) 2.123 8.265 ( 19.040 0.000 -3.453) 19.351 8.317 ( 10.072 0.000 4.165) 10.899 8.483 ( 13.950 0.000 -2.687) 14.206 8.572 ( 3.551 0.000 5.181) 6.281 8.669 ( -0.247 0.000 -0.181) 0.306 8.731 ( 13.421 0.000 -27.216) 30.345 9.092 ( -1.473 0.000 1.176) 1.885 9.109 ( -12.135 0.000 3.393) 12.601 9.289 ( 13.504 0.000 -14.168) 19.573 9.492 ( 13.284 0.000 -14.534) 19.690 9.690 ( 7.618 0.000 1.754) 7.818 10.065 ( -1.519 0.000 18.810) 18.871 10.288 ( 0.539 0.000 -7.596) 7.615 10.773 ( -4.014 0.000 7.408) 8.426 10.871 ( -1.079 0.000 -10.675) 10.729 11.054 ( 1.805 0.000 -5.402) 5.696 11.185 ( 0.853 0.000 -5.403) 5.470 11.336 ( -8.328 0.000 4.650) 9.539 11.514 ( 1.862 0.000 5.757) 6.051 11.542 ( 4.783 0.000 -0.531) 4.812 11.551 ( -2.707 0.000 -0.435) 2.741 11.665 ( 1.201 0.000 -0.580) 1.334 11.821 ( -0.597 0.000 0.319) 0.676 12.044 ( 1.008 0.000 6.357) 6.436 12.387 ( 7.235 0.000 -5.377) 9.014 13.007 ( -36.157 0.000 4.792) 36.473 13.175 ( -3.926 0.000 -13.505) 14.064 13.245 ( -8.867 0.000 -4.309) 9.859 13.375 ( -4.155 0.000 2.534) 4.866 13.808 ( -11.090 0.000 8.019) 13.686 13.904 ( -4.670 0.000 1.272) 4.840 14.106 ( -0.059 0.000 1.930) 1.931 14.291 ( 5.835 0.000 1.007) 5.921 14.337 ( 0.724 0.000 8.543) 8.574 14.385 ( 0.916 0.000 7.280) 7.338 14.499 ( -0.603 0.000 3.627) 3.677 15.088 ( 1.124 0.000 14.188) 14.232 15.244 ( -20.446 0.000 33.576) 39.312 15.743 ( -3.734 0.000 2.709) 4.613 21.060 ( 20.235 0.000 0.769) 20.250 22.020 ( 31.274 0.000 -29.946) 43.299 22.733 ( -0.481 0.000 1.723) 1.789 22.836 ( -3.958 0.000 1.374) 4.189 23.125 ( 3.761 0.000 1.789) 4.165 23.458 ( -1.897 0.000 0.841) 2.075 23.565 ( -0.004 0.000 0.045) 0.045 23.570 ( 0.176 0.000 0.180) 0.251 23.600 ( 0.215 0.000 0.404) 0.458 23.695 ( 1.117 0.000 -1.777) 2.099 23.711 ( -0.942 0.000 -0.741) 1.199 23.881 ( 21.940 0.000 -22.291) 31.277 25.664 ( 5.924 0.000 -11.209) 12.678 25.835 ( 0.273 0.000 -4.955) 4.963 26.298 ( 0.807 0.000 -0.691) 1.062 26.559 ( -3.774 0.000 -1.051) 3.918 26.829 ( 12.059 0.000 -3.584) 12.580 27.044 ( 10.674 0.000 -14.690) 18.158 28.142 ( -3.617 0.000 1.888) 4.080 28.417 ( -16.438 0.000 8.352) 18.438 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 24.661 0.000 12.614) 27.700 1.434 ( 34.162 0.000 5.792) 34.649 1.881 ( 12.534 0.000 -4.214) 13.224 2.250 ( 9.574 0.000 0.943) 9.621 2.289 ( 30.799 0.000 25.595) 40.047 2.937 ( -14.814 0.000 -3.557) 15.235 3.163 ( -7.496 0.000 -11.851) 14.023 3.233 ( -2.215 0.000 -3.288) 3.964 3.366 ( -1.315 0.000 2.115) 2.490 3.405 ( -7.678 0.000 -0.611) 7.702 3.601 ( 3.243 0.000 -0.260) 3.254 3.829 ( -10.002 0.000 -4.309) 10.890 3.895 ( -9.436 0.000 -0.324) 9.442 4.346 ( -2.226 0.000 -8.287) 8.581 4.399 ( -4.016 0.000 -9.384) 10.207 4.691 ( -7.876 0.000 -1.599) 8.037 4.804 ( 11.431 0.000 4.899) 12.437 4.820 ( -6.161 0.000 6.023) 8.615 5.196 ( 5.266 0.000 -6.718) 8.536 5.561 ( -6.208 0.000 -10.959) 12.595 5.585 ( 12.464 0.000 -5.349) 13.563 5.840 ( -6.586 0.000 4.135) 7.776 5.844 ( -23.302 0.000 1.597) 23.356 5.973 ( -3.851 0.000 -8.696) 9.510 6.121 ( -13.791 0.000 -0.300) 13.795 6.271 ( -5.880 0.000 5.874) 8.312 6.827 ( 3.605 0.000 2.874) 4.610 6.928 ( 0.879 0.000 4.525) 4.610 6.979 ( 1.679 0.000 -12.098) 12.214 7.212 ( -4.971 0.000 -1.676) 5.246 7.214 ( 5.189 0.000 4.544) 6.897 7.292 ( 1.090 0.000 2.544) 2.767 7.343 ( 13.965 0.000 -0.323) 13.969 7.398 ( -3.521 0.000 2.106) 4.103 7.406 ( -3.000 0.000 8.221) 8.751 7.490 ( 2.330 0.000 2.744) 3.600 7.615 ( -3.444 0.000 3.502) 4.912 8.356 ( -1.249 0.000 0.476) 1.337 8.506 ( 8.108 0.000 -1.454) 8.238 8.605 ( -4.985 0.000 -0.960) 5.077 8.652 ( 1.936 0.000 0.548) 2.012 8.685 ( 4.881 0.000 4.810) 6.853 8.780 ( -12.445 0.000 8.497) 15.069 8.943 ( 10.106 0.000 -4.832) 11.202 9.044 ( -3.614 0.000 2.146) 4.203 9.544 ( 3.313 0.000 -8.205) 8.848 9.888 ( 12.464 0.000 0.210) 12.466 9.913 ( 25.777 0.000 -39.615) 47.264 10.136 ( 12.555 0.000 9.543) 15.770 10.316 ( 2.340 0.000 -5.613) 6.081 10.673 ( -5.958 0.000 7.598) 9.655 10.821 ( -4.490 0.000 -15.032) 15.688 11.003 ( -9.582 0.000 -0.979) 9.632 11.165 ( -4.573 0.000 -3.783) 5.935 11.233 ( 0.627 0.000 1.613) 1.731 11.481 ( -4.400 0.000 -0.856) 4.482 11.575 ( 4.486 0.000 4.432) 6.306 11.669 ( 8.152 0.000 -1.058) 8.220 11.695 ( 1.882 0.000 -0.524) 1.954 11.803 ( -1.287 0.000 0.204) 1.303 12.028 ( -3.989 0.000 2.106) 4.511 12.335 ( -26.031 0.000 14.933) 30.010 12.553 ( 9.540 0.000 -6.287) 11.425 13.069 ( -6.981 0.000 -11.695) 13.620 13.218 ( 1.744 0.000 -6.751) 6.973 13.357 ( 1.810 0.000 6.754) 6.993 13.644 ( -7.780 0.000 4.596) 9.036 13.799 ( -7.136 0.000 -2.137) 7.449 14.109 ( 1.734 0.000 3.292) 3.721 14.360 ( 1.657 0.000 7.070) 7.262 14.362 ( -0.763 0.000 1.415) 1.608 14.479 ( -1.483 0.000 3.830) 4.107 14.531 ( 10.607 0.000 1.471) 10.708 14.894 ( -6.962 0.000 19.566) 20.768 15.301 ( 6.869 0.000 12.430) 14.202 15.651 ( -5.567 0.000 4.714) 7.295 21.549 ( 28.430 0.000 1.601) 28.475 22.304 ( 6.713 0.000 -9.367) 11.524 22.689 ( -3.659 0.000 2.722) 4.560 22.740 ( -6.162 0.000 0.584) 6.190 23.213 ( 4.869 0.000 1.920) 5.234 23.410 ( -2.896 0.000 1.153) 3.117 23.566 ( 0.086 0.000 0.106) 0.136 23.572 ( 0.035 0.000 0.345) 0.346 23.608 ( 0.716 0.000 0.072) 0.720 23.687 ( -1.526 0.000 -0.598) 1.639 23.739 ( 4.118 0.000 -0.911) 4.217 24.081 ( 1.734 0.000 -8.482) 8.657 25.742 ( 2.914 0.000 -11.775) 12.130 25.837 ( -0.200 0.000 -6.069) 6.072 26.316 ( 1.066 0.000 -1.771) 2.067 26.474 ( -4.564 0.000 -0.624) 4.607 27.010 ( 7.926 0.000 -0.423) 7.937 27.202 ( 4.679 0.000 -19.418) 19.973 28.045 ( -6.279 0.000 2.236) 6.666 28.125 ( -12.886 0.000 9.361) 15.927 ======================= Grid point 66 (24/80) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 20.740 0.000 5.396) 21.430 2.066 ( 0.433 0.000 -1.365) 1.432 2.070 ( 30.464 0.000 -1.045) 30.482 2.357 ( 7.035 0.000 -3.307) 7.774 2.509 ( -11.061 0.000 0.959) 11.102 2.622 ( -17.143 0.000 -4.952) 17.844 3.125 ( 4.257 0.000 -1.092) 4.395 3.253 ( -8.594 0.000 0.552) 8.611 3.262 ( 4.733 0.000 0.636) 4.776 3.342 ( -2.340 0.000 1.829) 2.970 3.650 ( 2.669 0.000 0.391) 2.698 3.736 ( -6.612 0.000 0.790) 6.659 3.885 ( 18.465 0.000 3.694) 18.831 4.277 ( -3.943 0.000 -8.798) 9.642 4.342 ( -6.639 0.000 -2.350) 7.042 4.365 ( -17.075 0.000 3.940) 17.524 4.899 ( 10.897 0.000 -6.757) 12.822 5.062 ( 15.734 0.000 4.065) 16.251 5.135 ( -11.523 0.000 -8.168) 14.125 5.412 ( -20.801 0.000 2.894) 21.001 5.613 ( 10.693 0.000 -7.954) 13.327 5.775 ( -0.688 0.000 1.778) 1.906 5.846 ( 13.948 0.000 -3.614) 14.409 5.848 ( -9.270 0.000 -1.303) 9.361 5.886 ( -8.521 0.000 -2.629) 8.917 6.099 ( -11.775 0.000 0.108) 11.775 6.892 ( 2.761 0.000 2.022) 3.422 6.928 ( -0.965 0.000 2.190) 2.393 7.027 ( 3.646 0.000 -8.872) 9.592 7.113 ( -5.079 0.000 -5.135) 7.223 7.258 ( 1.773 0.000 9.152) 9.322 7.310 ( -3.805 0.000 10.325) 11.004 7.316 ( 1.307 0.000 3.952) 4.162 7.346 ( -2.049 0.000 4.359) 4.817 7.528 ( 1.639 0.000 3.163) 3.562 7.561 ( -2.114 0.000 3.796) 4.345 7.720 ( 20.842 0.000 -3.942) 21.212 8.125 ( -20.396 0.000 -4.323) 20.849 8.550 ( 1.936 0.000 2.558) 3.208 8.612 ( 3.429 0.000 -1.985) 3.963 8.621 ( -5.134 0.000 3.356) 6.134 8.652 ( -0.988 0.000 -1.436) 1.743 8.825 ( 7.627 0.000 4.176) 8.696 8.954 ( -5.752 0.000 2.789) 6.392 9.199 ( 14.100 0.000 5.672) 15.198 9.445 ( -10.693 0.000 5.411) 11.984 10.137 ( 12.670 0.000 -1.197) 12.727 10.323 ( -4.646 0.000 -4.091) 6.191 10.345 ( 18.664 0.000 -35.414) 40.031 10.483 ( 15.730 0.000 -9.949) 18.612 10.612 ( 2.700 0.000 7.591) 8.057 10.706 ( -3.755 0.000 -15.691) 16.134 10.774 ( -12.032 0.000 3.734) 12.598 10.961 ( -16.783 0.000 -1.874) 16.888 11.298 ( 4.614 0.000 -1.008) 4.722 11.390 ( -4.919 0.000 -1.173) 5.057 11.686 ( 7.166 0.000 4.117) 8.265 11.734 ( 2.112 0.000 -0.380) 2.146 11.773 ( -1.860 0.000 -0.096) 1.862 11.831 ( 4.457 0.000 -0.368) 4.472 11.870 ( -6.223 0.000 4.542) 7.704 12.020 ( -9.955 0.000 0.178) 9.956 12.738 ( 9.617 0.000 -7.723) 12.334 12.916 ( -8.797 0.000 -9.590) 13.013 13.303 ( 6.657 0.000 -1.282) 6.779 13.409 ( -0.092 0.000 -0.614) 0.621 13.521 ( -1.464 0.000 8.741) 8.862 13.636 ( -9.051 0.000 1.803) 9.229 14.175 ( 4.928 0.000 2.895) 5.715 14.284 ( -5.916 0.000 3.035) 6.649 14.399 ( 2.308 0.000 5.523) 5.986 14.443 ( -2.224 0.000 4.409) 4.938 14.712 ( 7.600 0.000 3.312) 8.290 14.814 ( -3.451 0.000 9.632) 10.231 15.423 ( 6.106 0.000 10.347) 12.015 15.539 ( -6.008 0.000 7.897) 9.923 22.056 ( 22.575 0.000 1.261) 22.610 22.340 ( -5.179 0.000 -2.211) 5.631 22.609 ( -3.348 0.000 1.066) 3.513 22.627 ( -4.058 0.000 1.632) 4.374 23.294 ( 3.532 0.000 1.533) 3.851 23.354 ( -2.928 0.000 1.254) 3.185 23.568 ( 0.138 0.000 0.224) 0.263 23.571 ( -0.114 0.000 0.343) 0.361 23.628 ( 1.282 0.000 -0.202) 1.298 23.656 ( -1.611 0.000 -0.410) 1.662 23.862 ( 8.386 0.000 -0.454) 8.399 24.021 ( -6.873 0.000 -1.760) 7.095 25.790 ( 2.178 0.000 -9.985) 10.220 25.824 ( -1.248 0.000 -7.912) 8.010 26.343 ( 1.923 0.000 -2.385) 3.063 26.395 ( -3.520 0.000 -1.892) 3.996 27.146 ( 6.208 0.000 -2.141) 6.567 27.229 ( -1.753 0.000 -9.269) 9.433 27.933 ( -3.406 0.000 4.461) 5.613 27.955 ( -5.151 0.000 2.561) 5.753 ======================= Grid point 70 (25/80) ======================= q-point: ( 0.00 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.000 17.358 30.727) 35.291 1.052 ( 0.000 22.836 28.825) 36.775 1.767 ( 0.000 43.339 14.001) 45.544 1.961 ( 0.000 40.797 17.817) 44.518 2.089 ( 0.000 20.096 2.928) 20.308 3.367 ( 0.000 8.871 -4.932) 10.150 3.389 ( 0.000 -7.039 -5.091) 8.687 3.593 ( 0.000 5.270 -2.751) 5.945 3.682 ( 0.000 33.334 -8.183) 34.323 3.764 ( 0.000 21.285 -2.720) 21.458 3.804 ( 0.000 8.610 0.107) 8.610 3.850 ( 0.000 -10.937 -16.554) 19.840 4.183 ( 0.000 1.660 -2.956) 3.390 4.364 ( 0.000 3.582 0.914) 3.697 4.533 ( 0.000 -6.117 -16.328) 17.436 4.587 ( 0.000 2.274 5.431) 5.888 4.853 ( 0.000 -0.604 2.713) 2.780 4.899 ( 0.000 5.285 -10.451) 11.712 5.205 ( 0.000 -1.446 1.473) 2.064 5.413 ( 0.000 7.562 -2.552) 7.981 5.712 ( 0.000 1.536 8.381) 8.521 5.834 ( 0.000 -10.134 -8.523) 13.241 6.029 ( 0.000 -7.505 -9.589) 12.176 6.289 ( 0.000 -14.289 8.526) 16.639 6.441 ( 0.000 3.638 1.524) 3.945 6.527 ( 0.000 -10.259 -7.935) 12.970 6.693 ( 0.000 -6.025 1.443) 6.195 6.704 ( 0.000 3.668 2.703) 4.556 6.936 ( 0.000 1.813 9.066) 9.246 6.958 ( 0.000 -8.788 5.153) 10.187 7.096 ( 0.000 2.749 -6.082) 6.674 7.305 ( 0.000 12.594 1.908) 12.738 7.346 ( 0.000 -1.103 1.381) 1.768 7.416 ( 0.000 -0.808 0.454) 0.927 7.490 ( 0.000 10.871 -0.358) 10.877 7.627 ( 0.000 -0.157 -0.837) 0.852 7.853 ( 0.000 6.245 -10.134) 11.904 7.857 ( 0.000 22.564 2.252) 22.676 8.287 ( 0.000 -6.668 8.886) 11.110 8.287 ( 0.000 9.261 7.839) 12.133 8.539 ( 0.000 1.327 1.274) 1.840 8.641 ( 0.000 8.234 5.846) 10.098 9.113 ( 0.000 1.854 0.380) 1.893 9.147 ( 0.000 -2.340 -6.132) 6.564 9.248 ( 0.000 2.239 0.919) 2.421 9.347 ( 0.000 -3.042 -6.401) 7.087 9.439 ( 0.000 37.001 -31.330) 48.483 9.603 ( 0.000 -1.386 2.935) 3.246 10.085 ( 0.000 -0.232 17.110) 17.112 10.292 ( 0.000 -17.765 -11.464) 21.143 10.485 ( 0.000 -2.574 -6.830) 7.299 10.941 ( 0.000 -1.183 -0.172) 1.196 11.032 ( 0.000 0.153 -4.707) 4.710 11.116 ( 0.000 -5.458 -3.763) 6.630 11.219 ( 0.000 -16.317 1.459) 16.382 11.315 ( 0.000 -10.335 2.559) 10.647 11.408 ( 0.000 -2.245 2.517) 3.373 11.740 ( 0.000 5.077 0.846) 5.147 11.899 ( 0.000 6.291 -1.677) 6.510 12.080 ( 0.000 18.437 -6.193) 19.449 12.090 ( 0.000 12.896 5.548) 14.039 12.123 ( 0.000 -15.779 -7.353) 17.408 12.978 ( 0.000 -16.672 -6.774) 17.995 13.225 ( 0.000 3.532 -21.365) 21.655 13.454 ( 0.000 5.670 -0.734) 5.717 13.641 ( 0.000 2.044 -21.469) 21.566 13.926 ( 0.000 -7.413 2.581) 7.850 14.028 ( 0.000 0.651 -0.943) 1.146 14.152 ( 0.000 1.498 -0.511) 1.583 14.205 ( 0.000 3.990 1.724) 4.347 14.427 ( 0.000 10.964 10.565) 15.226 14.505 ( 0.000 -7.261 11.709) 13.777 14.721 ( 0.000 12.307 0.877) 12.339 14.937 ( 0.000 1.941 11.542) 11.704 15.748 ( 0.000 -2.873 1.935) 3.464 15.896 ( 0.000 -16.131 20.334) 25.956 20.857 ( 0.000 0.208 0.176) 0.273 20.925 ( 0.000 -0.320 -0.556) 0.641 22.631 ( 0.000 -10.997 10.908) 15.490 22.800 ( 0.000 -8.388 11.336) 14.102 22.852 ( 0.000 -3.054 1.618) 3.456 23.064 ( 0.000 -2.014 0.639) 2.113 23.462 ( 0.000 -0.660 0.688) 0.954 23.599 ( 0.000 0.976 -0.175) 0.991 23.637 ( 0.000 5.742 -0.138) 5.744 23.689 ( 0.000 -0.215 -1.732) 1.746 23.733 ( 0.000 1.349 -0.451) 1.422 24.105 ( 0.000 7.544 -9.837) 12.396 25.867 ( 0.000 3.727 -4.104) 5.544 26.045 ( 0.000 18.647 -22.453) 29.186 26.319 ( 0.000 3.270 1.384) 3.551 26.652 ( 0.000 3.162 -1.292) 3.416 26.874 ( 0.000 23.580 -15.698) 28.328 26.957 ( 0.000 3.591 0.632) 3.646 28.180 ( 0.000 0.245 1.910) 1.926 28.423 ( 0.000 -14.611 10.261) 17.854 ======================= Grid point 71 (26/80) ======================= q-point: ( 0.14 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 13.729 17.947 22.590) 31.951 1.260 ( 17.577 19.561 23.522) 35.283 1.897 ( 8.652 25.147 -0.940) 26.611 2.056 ( 13.656 34.857 14.263) 40.061 2.288 ( 17.355 30.032 14.120) 37.450 3.206 ( -10.391 -4.798 -3.065) 11.849 3.283 ( -9.157 7.160 -6.696) 13.414 3.477 ( -8.896 1.015 -4.696) 10.111 3.631 ( -6.492 21.806 -4.946) 23.283 3.695 ( -3.058 24.223 0.643) 24.424 3.783 ( 0.172 18.113 -3.600) 18.468 3.953 ( 0.824 -3.359 -12.016) 12.504 4.079 ( -6.747 -1.986 -2.156) 7.356 4.334 ( -2.509 4.191 1.480) 5.104 4.490 ( -5.286 -3.367 -15.728) 16.931 4.626 ( 2.795 -0.122 3.715) 4.651 4.819 ( -2.096 2.008 3.024) 4.192 4.905 ( 2.670 3.585 -6.858) 8.186 5.147 ( -6.022 -2.837 0.170) 6.659 5.464 ( 5.747 4.418 -2.885) 7.802 5.660 ( -5.915 -0.243 0.896) 5.987 5.820 ( -2.866 -9.795 -4.729) 11.248 5.979 ( -4.206 -6.554 -7.112) 10.546 6.171 ( -12.061 -9.447 3.426) 15.699 6.287 ( -13.683 -5.405 -0.198) 14.713 6.433 ( -1.360 5.524 3.133) 6.495 6.726 ( 2.130 -5.703 -0.101) 6.089 6.851 ( 4.928 -5.325 3.918) 8.246 6.931 ( -0.439 -1.396 1.569) 2.146 6.998 ( 8.015 1.353 4.042) 9.078 7.068 ( -1.659 -5.380 1.089) 5.734 7.284 ( -3.103 6.114 -1.199) 6.960 7.404 ( 2.370 6.733 0.002) 7.138 7.469 ( -0.970 7.080 -0.968) 7.211 7.602 ( 0.356 1.425 -3.314) 3.625 7.665 ( 4.656 5.860 0.326) 7.491 7.840 ( -0.896 22.612 2.806) 22.803 7.957 ( 19.006 -14.266 0.047) 23.765 8.275 ( 1.828 -2.048 7.376) 7.870 8.444 ( 5.467 -2.560 0.399) 6.050 8.602 ( 6.583 7.287 0.435) 9.830 8.692 ( 7.077 8.051 5.692) 12.137 9.060 ( -8.278 -0.449 0.819) 8.330 9.135 ( -4.744 3.007 -0.924) 5.692 9.183 ( -10.076 4.342 -0.851) 11.005 9.278 ( 8.105 1.700 -14.583) 16.770 9.604 ( 11.494 11.708 -19.288) 25.322 9.679 ( 8.657 0.400 -3.194) 9.236 10.053 ( -2.135 -0.135 13.812) 13.977 10.298 ( 0.385 -17.056 -7.196) 18.516 10.482 ( -0.155 -2.015 -6.563) 6.867 10.899 ( -3.982 -3.081 -0.477) 5.057 11.089 ( 2.150 1.046 -4.791) 5.354 11.114 ( 1.618 -3.773 -3.387) 5.322 11.250 ( 1.558 -16.774 1.216) 16.890 11.316 ( -4.582 -3.491 2.177) 6.158 11.357 ( 2.315 -8.421 2.131) 8.990 11.713 ( -2.952 5.296 -0.006) 6.063 11.922 ( 1.963 7.416 -2.589) 8.097 12.040 ( -2.672 16.138 -3.722) 16.776 12.073 ( -0.996 7.202 -0.602) 7.295 12.224 ( 7.872 -10.746 -3.977) 13.902 12.947 ( -3.481 -15.263 -5.588) 16.623 13.160 ( -14.110 6.638 -17.801) 23.665 13.397 ( -11.572 12.237 -3.018) 17.110 13.453 ( -8.679 7.188 -3.096) 11.686 13.829 ( -11.271 -5.011 6.282) 13.842 13.933 ( -9.739 2.994 3.594) 10.804 14.074 ( 1.179 -2.673 2.084) 3.589 14.267 ( 3.506 0.501 3.240) 4.800 14.352 ( -0.981 -0.556 9.911) 9.975 14.441 ( 2.596 11.373 6.657) 13.432 14.699 ( 0.618 14.371 0.627) 14.397 15.106 ( 6.742 1.689 10.487) 12.581 15.225 ( -27.303 0.636 33.844) 43.489 15.717 ( -3.453 -2.657 2.795) 5.176 21.066 ( 20.602 0.636 0.604) 20.620 21.891 ( 45.197 -14.321 -27.363) 54.742 22.716 ( 3.846 -4.561 0.278) 5.973 22.776 ( -1.857 -8.324 6.585) 10.775 22.923 ( 12.713 -21.201 11.188) 27.135 23.097 ( 3.176 -2.641 0.968) 4.243 23.441 ( -2.030 -1.031 1.026) 2.497 23.596 ( -0.323 0.955 -0.072) 1.010 23.639 ( 0.283 5.131 -0.195) 5.142 23.701 ( 1.140 -0.105 -1.475) 1.867 23.729 ( -0.286 1.674 -0.480) 1.765 24.112 ( 0.418 4.838 -8.581) 9.860 25.869 ( 0.116 4.111 -4.700) 6.246 25.951 ( -6.314 16.683 -14.355) 22.897 26.318 ( 0.258 2.026 -0.007) 2.042 26.594 ( -4.855 2.981 -0.162) 5.699 26.931 ( 5.599 8.190 -1.421) 10.022 27.117 ( 10.281 8.184 -19.636) 23.627 28.142 ( -3.930 -0.069 1.833) 4.336 28.296 ( -11.186 -9.676 11.690) 18.852 ======================= Grid point 72 (27/80) ======================= q-point: ( 0.29 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 28.679 10.159 10.328) 32.130 1.655 ( 22.008 16.090 12.395) 29.948 2.078 ( 10.907 19.557 -4.228) 22.788 2.378 ( 15.382 17.076 -1.309) 23.020 2.633 ( 14.163 30.179 15.460) 36.748 3.048 ( -12.722 9.394 -0.270) 15.816 3.101 ( -3.530 -5.282 -10.354) 12.148 3.323 ( -6.084 0.823 -3.947) 7.299 3.541 ( -0.553 23.150 1.158) 23.185 3.654 ( -1.109 20.421 1.938) 20.543 3.726 ( -5.515 12.257 -3.089) 13.791 3.854 ( -5.222 9.729 -3.765) 11.666 3.970 ( -7.336 3.037 0.509) 7.956 4.331 ( 1.287 -2.554 -2.398) 3.732 4.347 ( -7.815 -2.255 -13.449) 15.717 4.597 ( -5.818 -4.780 0.606) 7.555 4.841 ( -0.960 2.832 2.162) 3.690 4.935 ( 2.635 8.893 3.502) 9.914 5.126 ( 6.510 -5.432 -5.237) 9.965 5.492 ( -10.225 -6.718 -12.203) 17.280 5.623 ( 9.148 -0.952 -4.805) 10.377 5.733 ( -5.141 -4.723 3.428) 7.778 5.835 ( -17.102 -2.609 1.589) 17.373 5.896 ( -4.683 -4.677 -3.997) 7.731 6.076 ( -11.476 -3.817 1.664) 12.208 6.369 ( -6.167 6.066 2.304) 8.951 6.772 ( 2.753 -8.507 2.720) 9.346 6.860 ( -0.596 -4.487 3.100) 5.486 6.938 ( -0.237 -2.388 0.211) 2.409 7.023 ( -4.787 -10.480 4.318) 12.304 7.176 ( 4.288 -0.819 -4.178) 6.043 7.283 ( 9.096 1.811 1.414) 9.381 7.393 ( -2.601 5.186 1.477) 5.986 7.462 ( 0.503 7.151 0.005) 7.168 7.590 ( -1.591 4.498 -1.408) 4.974 7.711 ( 3.019 17.133 2.407) 17.563 7.826 ( -0.130 22.609 4.832) 23.120 8.295 ( -1.175 -3.403 2.357) 4.303 8.342 ( 15.620 -16.285 -1.033) 22.589 8.495 ( 2.974 -5.280 2.969) 6.748 8.687 ( 2.795 7.002 0.530) 7.558 8.747 ( -14.709 1.268 0.176) 14.765 8.901 ( 2.407 11.345 4.438) 12.417 9.047 ( -2.700 4.627 -0.735) 5.407 9.078 ( 1.032 4.660 0.986) 4.874 9.487 ( 9.000 -5.600 -11.245) 15.453 9.791 ( 6.703 -3.532 -2.577) 8.003 9.882 ( 11.449 -8.244 -2.953) 14.414 10.132 ( 13.600 3.007 -7.674) 15.902 10.292 ( -1.243 -17.692 -1.043) 17.767 10.489 ( 0.972 -1.082 -6.672) 6.828 10.788 ( -7.398 -4.854 0.565) 8.867 10.996 ( -10.186 -2.449 -0.380) 10.483 11.115 ( -6.536 -3.450 -3.935) 8.373 11.245 ( 5.101 0.456 -2.789) 5.832 11.368 ( 6.080 -13.167 1.478) 14.578 11.449 ( 5.847 -8.244 0.132) 10.108 11.630 ( -5.409 5.315 -2.354) 7.940 11.914 ( -3.469 9.400 -2.366) 10.295 12.018 ( -0.309 7.345 -2.188) 7.671 12.064 ( 1.128 13.270 -3.396) 13.744 12.391 ( 9.250 -12.887 -5.808) 16.893 12.632 ( -23.715 21.332 5.601) 32.386 12.892 ( -6.050 -12.327 -6.588) 15.230 13.298 ( -0.177 6.064 -8.982) 10.839 13.435 ( 1.984 7.138 3.588) 8.232 13.646 ( -7.569 -1.337 5.511) 9.458 13.811 ( -6.393 0.979 -2.112) 6.804 14.114 ( 2.772 -0.797 1.678) 3.337 14.301 ( 0.323 -4.036 6.216) 7.418 14.369 ( 1.219 -0.217 7.758) 7.856 14.537 ( 3.537 11.560 -3.477) 12.579 14.701 ( -0.502 12.084 10.498) 16.015 14.869 ( -7.055 -2.671 19.100) 20.536 15.290 ( 7.318 -0.619 9.804) 12.250 15.631 ( -5.225 -1.982 4.337) 7.074 21.563 ( 28.788 1.459 1.248) 28.852 22.304 ( 8.336 -0.254 -10.174) 13.155 22.687 ( -3.692 -0.269 2.645) 4.550 22.723 ( -4.492 -2.120 0.012) 4.967 23.163 ( 4.152 -5.759 0.722) 7.137 23.248 ( 11.563 -20.601 0.532) 23.630 23.405 ( -0.169 -3.806 3.119) 4.924 23.585 ( -0.885 0.279 0.095) 0.933 23.648 ( 0.708 4.175 -0.079) 4.236 23.706 ( -0.786 1.813 -0.090) 1.978 23.756 ( 3.612 0.758 -1.193) 3.879 24.100 ( -2.319 0.301 -4.861) 5.394 25.862 ( -1.271 9.052 -9.380) 13.098 25.879 ( -0.783 5.521 -6.274) 8.394 26.329 ( 0.917 1.312 -1.379) 2.113 26.497 ( -5.013 2.171 -0.321) 5.472 27.054 ( 6.867 4.316 0.115) 8.112 27.252 ( 3.857 5.071 -18.239) 19.320 28.030 ( -7.911 -2.204 5.083) 9.658 28.076 ( -9.839 -3.672 6.667) 12.439 ======================= Grid point 73 (28/80) ======================= q-point: ( 0.43 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 18.913 7.301 8.067) 21.820 2.031 ( 14.932 5.379 -1.695) 15.961 2.296 ( 11.658 17.454 -5.222) 21.629 2.525 ( -2.807 16.565 -2.894) 17.048 2.662 ( -4.991 16.860 -2.221) 17.723 2.794 ( -12.859 15.186 0.797) 19.915 3.112 ( 4.239 1.538 -2.009) 4.937 3.221 ( -6.145 -0.176 -1.721) 6.384 3.572 ( 3.769 24.514 1.928) 24.877 3.653 ( -1.435 27.626 0.592) 27.670 3.733 ( 0.604 8.935 -1.510) 9.082 3.805 ( -4.144 6.730 1.161) 7.988 3.928 ( 16.145 5.501 5.504) 17.922 4.246 ( -3.750 -2.998 -8.342) 9.625 4.307 ( -3.843 -3.984 -2.444) 6.051 4.373 ( -15.887 2.515 4.478) 16.696 4.864 ( 8.263 -2.242 -6.948) 11.026 5.042 ( -2.443 -1.744 -5.505) 6.271 5.184 ( 3.198 4.289 0.636) 5.388 5.349 ( -7.750 -6.311 0.689) 10.018 5.571 ( 1.549 -2.396 -3.187) 4.278 5.677 ( -3.622 -7.958 1.437) 8.861 5.763 ( -1.976 -5.489 -5.466) 7.995 5.834 ( -9.129 -2.860 0.482) 9.578 5.937 ( 10.718 4.791 -2.149) 11.935 6.188 ( -12.467 4.996 -2.306) 13.627 6.822 ( 2.741 -12.244 5.114) 13.549 6.866 ( 0.261 -3.845 3.816) 5.423 6.915 ( -2.321 -7.234 0.121) 7.598 6.920 ( -3.167 -9.522 3.370) 10.586 7.248 ( 4.115 3.536 -2.122) 5.825 7.327 ( -3.888 5.460 0.554) 6.725 7.435 ( 3.254 0.340 1.462) 3.584 7.468 ( -0.790 3.199 -0.269) 3.306 7.632 ( 6.545 10.728 5.019) 13.533 7.725 ( -2.347 18.449 7.083) 19.901 7.896 ( 9.092 16.262 -2.260) 18.768 8.147 ( -14.067 2.389 -3.572) 14.709 8.462 ( 1.839 -5.506 -0.348) 5.816 8.518 ( -5.453 -2.974 1.377) 6.362 8.659 ( 8.905 -5.413 2.564) 10.732 8.735 ( 0.572 3.433 1.520) 3.798 8.889 ( 0.015 10.793 -0.038) 10.793 8.955 ( -5.605 2.717 2.142) 6.587 9.260 ( 12.337 4.267 4.136) 13.694 9.473 ( -8.540 1.591 1.937) 8.901 9.955 ( 10.502 -15.599 -4.573) 19.353 10.084 ( 1.944 -16.054 -6.225) 17.328 10.281 ( 6.524 -12.247 -4.418) 14.563 10.470 ( -6.596 -7.796 -8.770) 13.461 10.489 ( 19.572 -1.490 -8.753) 21.492 10.679 ( -0.316 -1.551 4.578) 4.844 10.790 ( -9.414 -1.066 -0.145) 9.475 10.899 ( -15.423 -3.805 -3.261) 16.217 11.368 ( 7.179 4.306 -5.191) 9.850 11.488 ( 4.923 -11.696 0.942) 12.725 11.503 ( -4.631 2.752 -5.349) 7.591 11.544 ( -0.040 -8.210 -0.126) 8.211 11.868 ( 0.546 9.406 -0.701) 9.447 11.945 ( -5.794 6.575 -0.547) 8.781 12.147 ( 6.221 18.965 -4.545) 20.470 12.304 ( -11.173 20.899 -1.108) 23.724 12.576 ( 9.547 -13.429 -6.176) 17.597 12.752 ( -8.615 -13.646 -7.267) 17.698 13.352 ( 5.419 4.260 -1.044) 6.972 13.462 ( -3.425 4.116 -2.788) 6.037 13.556 ( 1.952 3.241 7.859) 8.722 13.672 ( -7.654 2.743 -0.703) 8.161 14.184 ( 4.553 -0.486 3.601) 5.825 14.270 ( -3.612 -2.537 5.425) 6.993 14.404 ( 2.669 0.884 7.640) 8.141 14.480 ( -5.372 5.913 5.942) 9.956 14.762 ( 4.684 4.285 7.198) 9.598 14.821 ( -1.437 1.411 6.975) 7.260 15.415 ( 5.979 -0.631 8.242) 10.202 15.526 ( -5.691 -1.220 6.604) 8.802 22.073 ( 22.515 1.813 0.874) 22.605 22.352 ( -4.871 1.236 -2.410) 5.573 22.612 ( -2.982 0.279 1.024) 3.166 22.628 ( -3.722 0.073 1.519) 4.020 23.232 ( 3.151 -5.682 0.059) 6.497 23.287 ( -2.517 -6.016 -0.975) 6.594 23.492 ( 5.291 -7.235 2.164) 9.221 23.559 ( -2.073 -1.988 0.601) 2.935 23.665 ( 1.053 3.463 0.150) 3.622 23.687 ( -1.103 2.837 0.200) 3.051 23.862 ( 7.363 -0.186 -0.727) 7.401 24.009 ( -6.945 -1.198 -1.527) 7.211 25.855 ( 0.529 6.447 -8.656) 10.806 25.869 ( -0.683 4.730 -6.958) 8.442 26.356 ( 1.988 1.191 -2.186) 3.186 26.411 ( -3.795 1.508 -1.734) 4.437 27.183 ( 6.281 3.747 -1.712) 7.511 27.271 ( -2.076 4.289 -8.430) 9.683 27.902 ( -2.936 -3.124 5.220) 6.755 27.935 ( -5.366 -1.815 1.593) 5.885 ======================= Grid point 77 (29/80) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 25.023 16.082) 29.745 1.563 ( 0.000 29.855 12.622) 32.414 2.399 ( 0.000 31.083 -2.233) 31.163 2.486 ( 0.000 19.405 4.312) 19.878 2.964 ( 0.000 36.645 15.812) 39.910 3.265 ( 0.000 6.948 1.606) 7.132 3.526 ( 0.000 -2.381 -13.381) 13.591 3.559 ( 0.000 -5.384 -0.590) 5.416 3.618 ( 0.000 -3.156 -7.255) 7.911 3.993 ( 0.000 11.579 -8.783) 14.533 4.176 ( 0.000 2.334 -5.833) 6.283 4.279 ( 0.000 26.301 3.798) 26.574 4.403 ( 0.000 -0.145 -1.984) 1.989 4.427 ( 0.000 33.601 -5.394) 34.031 4.453 ( 0.000 -1.206 -13.408) 13.462 4.614 ( 0.000 0.534 4.761) 4.791 4.849 ( 0.000 -0.505 3.200) 3.240 5.059 ( 0.000 9.106 -5.276) 10.524 5.180 ( 0.000 0.114 1.167) 1.173 5.405 ( 0.000 -5.813 1.225) 5.941 5.692 ( 0.000 -3.159 5.805) 6.609 5.859 ( 0.000 -9.286 -6.516) 11.344 5.893 ( 0.000 13.290 -5.838) 14.516 5.997 ( 0.000 -12.153 4.380) 12.919 6.337 ( 0.000 -9.023 -9.091) 12.808 6.531 ( 0.000 4.164 2.356) 4.784 6.560 ( 0.000 -9.434 4.466) 10.438 6.749 ( 0.000 -6.872 5.210) 8.623 6.753 ( 0.000 1.999 3.365) 3.914 6.970 ( 0.000 2.560 5.436) 6.009 7.105 ( 0.000 -6.447 0.380) 6.458 7.347 ( 0.000 3.201 -2.833) 4.275 7.457 ( 0.000 3.474 1.687) 3.862 7.553 ( 0.000 10.452 -4.733) 11.474 7.607 ( 0.000 -0.974 2.011) 2.234 7.735 ( 0.000 14.227 -2.153) 14.388 7.940 ( 0.000 5.469 -2.052) 5.842 8.175 ( 0.000 -5.105 10.250) 11.451 8.252 ( 0.000 14.785 -6.941) 16.333 8.551 ( 0.000 4.325 3.324) 5.455 8.588 ( 0.000 18.382 7.080) 19.699 8.819 ( 0.000 9.794 5.304) 11.138 9.065 ( 0.000 -3.397 -2.604) 4.280 9.140 ( 0.000 -1.804 -0.435) 1.856 9.265 ( 0.000 0.120 -5.947) 5.948 9.352 ( 0.000 7.260 0.207) 7.263 9.562 ( 0.000 -2.523 4.072) 4.790 9.688 ( 0.000 -19.425 -6.427) 20.460 10.045 ( 0.000 10.914 -9.777) 14.653 10.099 ( 0.000 1.975 14.687) 14.819 10.488 ( 0.000 -5.243 -14.465) 15.386 10.863 ( 0.000 -8.137 5.694) 9.932 10.921 ( 0.000 -13.823 -0.938) 13.855 10.987 ( 0.000 -7.750 -6.227) 9.942 11.019 ( 0.000 -3.156 -0.575) 3.208 11.210 ( 0.000 0.069 -10.819) 10.819 11.363 ( 0.000 -1.951 -3.015) 3.591 11.643 ( 0.000 -25.336 -4.685) 25.766 11.796 ( 0.000 -2.471 -0.568) 2.536 11.897 ( 0.000 -1.366 1.195) 1.815 12.370 ( 0.000 6.540 -9.047) 11.164 12.419 ( 0.000 11.591 -11.522) 16.343 12.777 ( 0.000 1.124 8.367) 8.442 13.256 ( 0.000 -1.295 -16.496) 16.547 13.573 ( 0.000 4.656 -0.846) 4.732 13.645 ( 0.000 -0.900 -21.982) 22.000 13.712 ( 0.000 -9.722 5.049) 10.955 13.956 ( 0.000 -5.661 -5.668) 8.011 14.186 ( 0.000 1.100 4.671) 4.799 14.315 ( 0.000 1.794 12.652) 12.778 14.415 ( 0.000 3.646 5.425) 6.536 14.658 ( 0.000 8.848 18.500) 20.506 14.914 ( 0.000 7.592 3.133) 8.213 15.032 ( 0.000 9.494 0.989) 9.546 15.671 ( 0.000 -5.064 3.325) 6.058 15.758 ( 0.000 -1.479 13.008) 13.092 20.863 ( 0.000 0.491 -0.010) 0.491 20.917 ( 0.000 -0.584 -0.530) 0.788 22.516 ( 0.000 -1.554 8.768) 8.904 22.762 ( 0.000 0.631 1.637) 1.754 22.773 ( 0.000 -5.021 0.726) 5.073 23.018 ( 0.000 -2.749 0.305) 2.766 23.464 ( 0.000 0.808 0.831) 1.159 23.612 ( 0.000 0.110 0.627) 0.637 23.684 ( 0.000 -0.220 -1.993) 2.005 23.716 ( 0.000 1.283 -2.427) 2.745 23.799 ( 0.000 6.219 1.420) 6.380 24.140 ( 0.000 -1.165 -3.815) 3.989 25.964 ( 0.000 6.220 -3.404) 7.091 26.208 ( 0.000 3.350 -11.836) 12.301 26.408 ( 0.000 5.996 1.658) 6.221 26.701 ( 0.000 1.963 1.040) 2.222 27.058 ( 0.000 6.862 1.290) 6.983 27.247 ( 0.000 13.325 -17.660) 22.123 28.182 ( 0.000 -0.215 1.288) 1.306 28.208 ( 0.000 -7.744 11.234) 13.645 ======================= Grid point 78 (30/80) ======================= q-point: ( 0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 9.261 23.231 14.899) 29.110 1.662 ( 9.903 24.822 11.332) 29.028 2.431 ( 3.456 28.942 -2.383) 29.245 2.563 ( 7.795 20.146 1.108) 21.630 2.960 ( -3.773 3.815 2.385) 5.872 3.230 ( 2.053 27.917 6.216) 28.675 3.375 ( -9.209 2.977 0.336) 9.684 3.511 ( -3.163 7.843 -9.263) 12.542 3.746 ( 5.651 -10.402 -5.245) 12.948 3.985 ( -0.955 12.494 -4.441) 13.294 4.039 ( -10.611 4.408 -2.238) 11.706 4.197 ( -7.779 19.254 2.274) 20.890 4.391 ( -2.198 8.469 0.777) 8.784 4.410 ( -3.284 15.501 -5.208) 16.679 4.453 ( -0.167 9.811 -14.586) 17.580 4.636 ( -0.015 1.633 1.574) 2.268 4.869 ( 2.608 3.259 4.476) 6.120 4.989 ( -3.537 4.067 -7.583) 9.303 5.158 ( -1.317 4.447 0.537) 4.669 5.420 ( 0.782 -7.115 0.969) 7.223 5.589 ( -10.590 -4.326 -0.772) 11.465 5.817 ( -3.450 -1.285 -3.801) 5.292 5.876 ( -2.739 -0.041 -3.153) 4.177 5.984 ( -0.185 -4.105 4.221) 5.891 6.169 ( -14.091 -5.711 -3.441) 15.589 6.519 ( -1.088 2.797 5.010) 5.840 6.625 ( -1.843 -3.337 4.016) 5.537 6.667 ( 3.182 -12.034 3.046) 12.814 6.898 ( 5.683 -1.131 0.915) 5.866 6.975 ( 1.344 1.116 2.732) 3.242 7.141 ( -1.612 2.853 1.695) 3.689 7.380 ( -4.659 1.319 -1.838) 5.179 7.440 ( 9.025 -2.296 -2.746) 9.709 7.523 ( 0.253 0.936 0.032) 0.970 7.640 ( 1.797 6.244 -3.261) 7.269 7.851 ( 5.396 5.762 1.688) 8.072 7.910 ( 5.094 12.251 1.076) 13.312 8.155 ( 0.145 2.223 5.240) 5.694 8.312 ( 2.842 6.888 -1.416) 7.585 8.524 ( -3.647 14.541 6.420) 16.308 8.752 ( 11.975 6.625 -3.084) 14.028 8.843 ( 3.367 7.679 3.715) 9.171 9.026 ( -5.220 -1.099 -0.762) 5.389 9.132 ( 0.965 -1.846 1.025) 2.321 9.255 ( -2.189 4.550 -0.540) 5.078 9.310 ( -1.867 4.645 -4.386) 6.655 9.580 ( 2.636 -5.345 3.004) 6.674 9.673 ( -1.523 -17.536 -4.160) 18.087 10.036 ( 0.097 3.821 -2.035) 4.330 10.124 ( 2.441 6.496 5.581) 8.906 10.468 ( -1.938 -6.168 -11.991) 13.623 10.783 ( -6.094 -9.280 3.473) 11.632 10.939 ( -0.658 -15.371 1.545) 15.463 10.990 ( 0.397 -6.773 -5.621) 8.811 11.117 ( 8.686 -2.943 -0.446) 9.182 11.242 ( 2.874 -0.663 -10.494) 10.901 11.283 ( -5.419 -1.520 -1.856) 5.926 11.705 ( 3.275 -16.337 -3.116) 16.951 11.781 ( -0.581 -7.503 -5.167) 9.128 11.942 ( 4.475 -1.460 0.798) 4.774 12.349 ( -2.789 5.656 -11.502) 13.117 12.381 ( -2.547 9.647 -9.388) 13.700 12.764 ( -1.533 1.949 7.447) 7.849 13.205 ( -6.755 -1.576 -11.718) 13.617 13.556 ( -3.920 1.790 -5.407) 6.915 13.586 ( -4.660 6.067 -10.859) 13.283 13.676 ( -2.806 -4.733 1.738) 5.770 13.980 ( 1.028 -3.812 -6.014) 7.195 14.016 ( -11.182 2.299 9.068) 14.579 14.295 ( -4.112 -2.095 5.043) 6.836 14.395 ( 1.745 8.331 12.102) 14.796 14.676 ( 2.399 9.115 15.654) 18.273 14.896 ( -0.863 6.541 1.522) 6.771 15.150 ( 8.359 4.517 3.281) 10.053 15.361 ( -27.724 11.462 18.101) 35.038 15.647 ( -2.629 -4.480 3.809) 6.441 21.086 ( 21.867 1.549 0.127) 21.922 21.568 ( 49.275 -15.894 -11.865) 53.118 22.544 ( 3.099 -3.976 9.031) 10.342 22.738 ( -2.041 -0.648 0.681) 2.247 22.785 ( 1.304 -2.945 2.559) 4.113 23.038 ( 1.933 -3.406 0.279) 3.927 23.437 ( -2.713 0.618 1.028) 2.967 23.605 ( -0.911 -0.313 0.684) 1.182 23.689 ( 0.507 0.068 -2.122) 2.183 23.722 ( 0.808 1.252 -2.102) 2.576 23.794 ( -0.499 5.731 1.467) 5.937 24.127 ( -1.430 -1.552 -3.394) 3.996 25.969 ( 0.448 6.359 -3.570) 7.306 26.165 ( -4.348 6.731 -10.959) 13.576 26.377 ( -1.962 4.452 1.871) 5.213 26.648 ( -4.960 2.210 1.200) 5.561 27.077 ( 2.750 7.616 1.207) 8.187 27.305 ( 4.239 9.095 -17.063) 19.795 28.120 ( -6.955 -4.296 8.099) 11.507 28.152 ( -4.783 -2.750 3.913) 6.764 ======================= Grid point 79 (31/80) ======================= q-point: ( 0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 20.936 17.566 10.135) 29.148 1.913 ( 15.154 14.531 7.501) 22.295 2.529 ( 6.470 23.827 -3.121) 24.886 2.753 ( 10.473 19.088 -2.427) 21.908 2.902 ( -0.916 -6.544 -7.677) 10.129 3.134 ( -7.894 1.112 -7.538) 10.971 3.386 ( -0.957 29.403 8.008) 30.489 3.438 ( -2.069 14.882 -2.539) 15.238 3.777 ( -0.749 -1.683 -1.881) 2.633 3.901 ( -1.552 8.770 2.448) 9.236 3.981 ( -1.204 5.127 -0.498) 5.290 4.037 ( -4.261 9.921 3.625) 11.389 4.275 ( -6.665 9.337 -8.495) 14.275 4.360 ( -2.419 11.976 2.815) 12.538 4.423 ( -4.848 20.819 -7.920) 22.796 4.565 ( -5.798 1.780 0.183) 6.068 4.896 ( -0.789 1.301 -2.608) 3.019 5.051 ( 7.416 1.889 -5.982) 9.713 5.136 ( 0.917 8.842 2.343) 9.193 5.310 ( -12.274 -11.040 -7.032) 17.944 5.523 ( 5.587 -3.523 1.290) 6.730 5.699 ( -8.993 -1.965 -2.686) 9.589 5.791 ( -5.057 -2.292 -1.916) 5.873 5.901 ( -10.081 1.896 0.660) 10.278 5.986 ( -2.212 -0.206 2.680) 3.481 6.445 ( -7.638 1.870 4.317) 8.970 6.560 ( -2.002 -10.172 6.028) 11.993 6.744 ( 2.121 -8.814 0.677) 9.091 6.901 ( -5.358 -1.521 6.346) 8.444 6.930 ( -4.462 0.086 -0.639) 4.508 7.197 ( 4.365 1.270 -0.900) 4.634 7.329 ( 4.141 0.374 -3.155) 5.219 7.492 ( -0.745 5.201 -1.196) 5.388 7.548 ( -0.045 3.929 2.516) 4.666 7.727 ( 4.751 9.389 -2.411) 10.795 8.032 ( 11.493 3.898 2.132) 12.322 8.085 ( 11.671 0.390 -1.400) 11.761 8.181 ( 2.238 7.761 0.874) 8.124 8.321 ( -3.770 6.911 5.715) 9.728 8.448 ( -1.746 4.756 4.384) 6.699 8.755 ( -11.387 1.838 -5.927) 12.968 8.829 ( -1.180 6.252 1.755) 6.600 9.110 ( 6.541 4.793 0.688) 8.138 9.150 ( -0.512 9.831 -1.219) 9.919 9.190 ( -0.353 9.727 1.630) 9.869 9.377 ( 9.063 -5.708 -4.224) 11.514 9.629 ( -2.552 -15.303 1.034) 15.549 9.694 ( 9.273 -9.822 0.897) 13.538 10.027 ( -1.745 -3.742 7.357) 8.437 10.239 ( 10.269 7.785 -8.694) 15.545 10.413 ( -4.265 -9.634 -6.046) 12.147 10.658 ( -6.014 -8.877 4.224) 11.524 10.847 ( -8.046 -14.087 1.595) 16.301 10.992 ( -2.487 -7.033 -5.162) 9.072 11.207 ( -0.184 -1.846 -0.153) 1.861 11.292 ( 7.602 -5.898 1.026) 9.677 11.330 ( 5.384 1.575 -9.797) 11.289 11.678 ( -4.273 0.215 -1.486) 4.529 11.826 ( 3.665 -16.427 -12.033) 20.690 12.039 ( 3.941 -2.100 -0.170) 4.469 12.285 ( -1.641 3.929 -12.411) 13.121 12.360 ( 0.321 4.454 -8.754) 9.827 12.710 ( -4.303 3.637 3.113) 6.437 12.957 ( -16.777 6.366 -0.758) 17.960 13.436 ( -2.733 6.928 -8.859) 11.574 13.582 ( 1.412 7.234 0.978) 7.435 13.623 ( -2.887 1.385 0.534) 3.246 13.832 ( -6.987 1.726 0.583) 7.221 14.048 ( 4.009 -5.218 -0.852) 6.636 14.251 ( -1.068 -2.142 4.300) 4.922 14.399 ( -0.562 3.308 15.030) 15.400 14.753 ( 2.374 0.765 22.733) 22.869 14.827 ( -7.776 6.756 -1.118) 10.362 14.987 ( -7.236 17.337 9.077) 20.864 15.300 ( 6.606 1.758 3.367) 7.620 15.582 ( -3.979 -3.036 4.250) 6.566 21.608 ( 29.887 3.417 0.231) 30.083 22.263 ( 18.603 -5.777 -12.959) 23.397 22.618 ( 2.346 -7.459 4.102) 8.830 22.689 ( -3.126 -0.756 -0.421) 3.243 22.894 ( 12.754 -8.981 5.398) 16.507 23.089 ( 3.506 -4.718 -0.312) 5.886 23.367 ( -4.148 -0.726 2.133) 4.721 23.572 ( -2.686 -1.761 0.681) 3.283 23.702 ( 0.830 1.085 -1.645) 2.138 23.753 ( 2.057 1.657 -1.033) 2.836 23.784 ( 0.032 3.441 0.817) 3.536 24.078 ( -3.950 -2.350 -2.278) 5.130 25.980 ( 0.686 6.891 -4.056) 8.025 26.071 ( -4.406 10.160 -7.798) 13.545 26.359 ( 0.045 1.708 -0.121) 1.713 26.540 ( -5.806 1.857 0.405) 6.109 27.161 ( 5.684 6.741 0.632) 8.840 27.373 ( 2.616 6.730 -13.839) 15.610 27.949 ( -9.410 -4.669 9.503) 14.165 28.034 ( -7.377 -1.724 0.716) 7.610 ======================= Grid point 80 (32/80) ======================= q-point: ( 0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 12.201 10.427 -0.344) 16.053 2.166 ( 8.094 7.069 2.173) 10.964 2.667 ( 7.964 16.137 -1.764) 18.082 2.815 ( -5.494 6.690 -3.724) 9.424 2.954 ( 5.789 14.146 -1.809) 15.392 3.031 ( -3.401 9.190 -1.092) 9.860 3.318 ( -2.804 15.212 -2.146) 15.617 3.343 ( -5.820 18.529 -2.042) 19.529 3.814 ( 4.075 3.132 1.595) 5.382 3.879 ( -2.824 3.668 1.413) 4.840 3.975 ( 5.865 7.166 -3.598) 9.934 4.109 ( 3.814 4.359 0.655) 5.829 4.183 ( -7.483 -1.429 -7.999) 11.046 4.237 ( -5.544 23.036 -6.204) 24.493 4.368 ( 3.046 17.698 10.006) 20.558 4.475 ( -4.623 9.827 2.270) 11.095 4.862 ( 0.777 1.803 -4.395) 4.813 4.997 ( -12.111 -3.595 -7.124) 14.503 5.227 ( 8.612 -3.401 -2.317) 9.545 5.276 ( 4.039 4.340 2.321) 6.367 5.553 ( -2.518 -0.540 1.069) 2.788 5.589 ( -3.254 2.613 0.709) 4.233 5.712 ( -2.044 1.332 -4.338) 4.977 5.748 ( -5.411 -5.829 -2.322) 8.285 6.009 ( 7.344 3.602 -0.397) 8.189 6.233 ( -13.351 0.304 -0.000) 13.355 6.576 ( 4.014 -11.014 7.213) 13.764 6.701 ( -7.798 -9.619 5.621) 13.599 6.813 ( 1.018 -1.801 4.431) 4.890 6.863 ( -3.265 -2.220 0.071) 3.949 7.289 ( 5.551 -1.095 -3.402) 6.602 7.382 ( -2.926 -3.060 -0.958) 4.341 7.507 ( 3.502 8.896 0.062) 9.561 7.547 ( -0.571 8.325 3.580) 9.081 7.853 ( 9.602 11.419 -0.066) 14.919 8.060 ( -8.345 13.907 0.260) 16.221 8.197 ( -1.226 1.307 1.709) 2.477 8.210 ( -1.006 10.623 0.837) 10.703 8.362 ( 11.431 -4.673 -0.102) 12.349 8.519 ( 2.155 -1.685 -0.976) 2.905 8.567 ( -1.422 7.112 1.707) 7.451 8.743 ( -8.477 -1.372 1.430) 8.705 9.109 ( -0.480 11.416 -0.393) 11.432 9.123 ( -1.397 11.937 -2.212) 12.220 9.313 ( 8.022 1.895 0.917) 8.294 9.449 ( -4.799 -4.517 -1.560) 6.773 9.690 ( 9.706 -10.139 2.309) 14.225 9.834 ( -1.371 -7.866 0.436) 7.997 10.042 ( 8.563 -11.028 5.291) 14.931 10.266 ( -10.995 -13.020 -1.174) 17.082 10.484 ( 12.739 0.339 -11.753) 17.336 10.600 ( -0.296 -7.750 3.767) 8.622 10.703 ( -4.083 -8.040 2.514) 9.361 10.839 ( -12.104 -2.662 -4.968) 13.351 11.272 ( 5.393 -7.487 0.870) 9.268 11.350 ( -1.309 -8.991 -0.141) 9.087 11.456 ( 6.768 2.285 -6.315) 9.534 11.578 ( -5.963 1.478 -4.818) 7.807 11.916 ( 6.007 -7.809 -11.137) 14.870 12.029 ( -4.593 -2.574 -7.053) 8.801 12.334 ( 5.629 -3.458 -6.965) 9.600 12.392 ( 1.526 3.751 -6.627) 7.766 12.615 ( -3.832 6.258 -2.893) 7.888 12.680 ( -10.455 11.428 -2.049) 15.624 13.457 ( 4.003 6.592 -0.704) 7.744 13.549 ( -4.649 5.818 0.937) 7.506 13.631 ( 3.247 4.111 0.346) 5.251 13.713 ( -5.387 1.539 -2.906) 6.312 14.135 ( 4.816 -3.656 3.511) 6.992 14.216 ( -3.215 -2.253 5.769) 6.978 14.424 ( 4.110 -0.379 14.967) 15.526 14.566 ( -10.647 -0.822 18.454) 21.321 14.878 ( 4.372 10.094 3.223) 11.463 14.935 ( -1.812 10.918 3.493) 11.606 15.409 ( 5.070 0.025 3.752) 6.307 15.500 ( -4.510 -1.421 4.378) 6.444 22.127 ( 22.182 3.942 -0.223) 22.530 22.387 ( -3.537 2.401 -3.142) 5.305 22.611 ( -1.415 -1.254 0.897) 2.092 22.624 ( -2.658 -0.459 0.463) 2.736 23.105 ( 5.706 -7.009 -0.888) 9.082 23.169 ( 0.815 -5.246 -3.404) 6.307 23.348 ( 5.903 -7.020 4.999) 10.446 23.491 ( -6.100 -4.956 1.532) 8.008 23.722 ( 1.272 2.173 -0.490) 2.565 23.748 ( -1.351 3.362 0.638) 3.679 23.851 ( 5.798 -0.977 -1.067) 5.976 23.975 ( -6.490 -2.364 -1.218) 7.014 25.994 ( 0.718 8.075 -4.802) 9.422 26.014 ( -1.717 9.657 -5.875) 11.433 26.378 ( 2.000 0.807 -1.669) 2.727 26.439 ( -4.413 1.102 -1.298) 4.730 27.282 ( 6.635 6.547 -0.774) 9.353 27.382 ( -2.551 7.136 -6.456) 9.955 27.827 ( -1.623 -4.481 5.050) 6.944 27.890 ( -6.749 -2.898 0.803) 7.389 ======================= Grid point 84 (33/80) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.000 26.302 5.089) 26.790 2.133 ( 0.000 29.234 -0.474) 29.237 2.741 ( 0.000 -9.388 -8.316) 12.542 2.783 ( 0.000 10.915 2.485) 11.194 3.065 ( 0.000 12.729 6.499) 14.292 3.208 ( 0.000 -19.274 -7.992) 20.865 3.464 ( 0.000 1.299 -1.728) 2.162 3.808 ( 0.000 11.179 -9.020) 14.365 3.937 ( 0.000 30.609 14.538) 33.886 4.166 ( 0.000 -4.646 -1.473) 4.874 4.195 ( 0.000 8.641 -13.399) 15.943 4.321 ( 0.000 -4.364 -4.428) 6.217 4.390 ( 0.000 -2.908 -0.855) 3.031 4.597 ( 0.000 -3.082 6.546) 7.235 4.724 ( 0.000 14.261 0.904) 14.290 4.806 ( 0.000 2.266 0.046) 2.266 4.846 ( 0.000 3.084 -2.431) 3.927 5.185 ( 0.000 2.749 -12.454) 12.754 5.249 ( 0.000 4.931 -1.162) 5.066 5.353 ( 0.000 0.203 4.099) 4.104 5.675 ( 0.000 3.414 11.139) 11.651 5.761 ( 0.000 2.407 3.976) 4.648 5.832 ( 0.000 -1.186 -3.164) 3.379 6.180 ( 0.000 9.925 -9.612) 13.817 6.197 ( 0.000 -5.118 -6.779) 8.494 6.308 ( 0.000 -16.634 4.868) 17.332 6.605 ( 0.000 5.266 6.276) 8.192 6.752 ( 0.000 4.413 2.488) 5.066 6.787 ( 0.000 1.747 4.589) 4.910 6.938 ( 0.000 -9.305 2.404) 9.611 7.049 ( 0.000 5.841 -0.046) 5.841 7.342 ( 0.000 -5.272 -3.062) 6.097 7.526 ( 0.000 3.585 -0.443) 3.613 7.640 ( 0.000 -0.236 -7.710) 7.713 7.659 ( 0.000 7.443 5.309) 9.143 7.965 ( 0.000 1.438 1.171) 1.855 8.065 ( 0.000 10.014 1.222) 10.088 8.166 ( 0.000 8.115 6.731) 10.543 8.365 ( 0.000 -1.207 -4.205) 4.375 8.536 ( 0.000 -4.108 -2.054) 4.593 8.930 ( 0.000 -0.569 -0.403) 0.697 8.952 ( 0.000 2.882 7.700) 8.222 9.085 ( 0.000 5.602 2.979) 6.344 9.121 ( 0.000 10.360 -0.172) 10.361 9.274 ( 0.000 -0.953 -2.830) 2.986 9.337 ( 0.000 -10.399 0.623) 10.417 9.555 ( 0.000 10.974 -0.021) 10.974 9.660 ( 0.000 18.827 1.185) 18.864 10.153 ( 0.000 4.190 10.434) 11.244 10.159 ( 0.000 -7.712 -2.024) 7.973 10.357 ( 0.000 -5.256 -4.282) 6.779 10.666 ( 0.000 -8.042 2.347) 8.378 10.733 ( 0.000 -4.398 -4.970) 6.637 10.797 ( 0.000 -14.869 -8.189) 16.975 10.909 ( 0.000 -7.845 1.217) 7.939 11.083 ( 0.000 -23.509 -4.174) 23.877 11.297 ( 0.000 2.089 -20.017) 20.125 11.346 ( 0.000 -0.097 -10.490) 10.490 11.802 ( 0.000 2.251 2.835) 3.620 11.896 ( 0.000 0.644 1.837) 1.947 12.318 ( 0.000 -4.893 -8.372) 9.697 12.472 ( 0.000 -5.496 -11.093) 12.380 12.979 ( 0.000 12.724 12.883) 18.107 13.197 ( 0.000 -2.708 8.633) 9.048 13.560 ( 0.000 -0.811 -13.698) 13.722 13.617 ( 0.000 -2.037 -22.618) 22.709 13.716 ( 0.000 3.963 -2.957) 4.944 13.853 ( 0.000 -4.753 -6.730) 8.239 14.201 ( 0.000 0.749 5.909) 5.957 14.268 ( 0.000 -3.074 5.922) 6.672 14.581 ( 0.000 8.374 16.254) 18.285 14.724 ( 0.000 -0.191 23.749) 23.750 15.054 ( 0.000 8.258 2.116) 8.525 15.237 ( 0.000 7.640 -7.957) 11.031 15.587 ( 0.000 -1.787 7.287) 7.503 15.737 ( 0.000 -2.243 6.020) 6.425 20.875 ( 0.000 0.699 -0.190) 0.725 20.904 ( 0.000 -0.753 -0.463) 0.884 22.525 ( 0.000 1.977 4.128) 4.577 22.673 ( 0.000 -5.269 -0.059) 5.269 22.803 ( 0.000 3.429 0.474) 3.462 22.958 ( 0.000 -3.663 0.858) 3.762 23.493 ( 0.000 2.240 0.873) 2.404 23.594 ( 0.000 -1.992 1.064) 2.258 23.684 ( 0.000 0.326 -2.279) 2.302 23.715 ( 0.000 -0.790 -2.530) 2.651 23.923 ( 0.000 6.157 0.665) 6.193 24.096 ( 0.000 -3.121 -1.701) 3.555 26.088 ( 0.000 6.316 -3.802) 7.373 26.232 ( 0.000 -0.547 -8.003) 8.021 26.535 ( 0.000 7.001 2.263) 7.358 26.713 ( 0.000 -1.101 2.219) 2.478 27.205 ( 0.000 8.137 1.474) 8.269 27.386 ( 0.000 1.856 -7.320) 7.551 28.124 ( 0.000 -1.437 5.447) 5.633 28.167 ( 0.000 -1.418 0.681) 1.573 ======================= Grid point 85 (34/80) ======================= q-point: ( 0.14 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 3.464 22.697 5.876) 23.699 2.176 ( 4.202 27.626 -0.162) 27.944 2.660 ( -5.635 -11.822 -7.178) 14.934 2.869 ( 8.242 11.697 0.768) 14.329 3.005 ( -5.167 5.958 7.042) 10.573 3.205 ( 0.226 -2.054 -11.955) 12.133 3.477 ( 1.840 -3.589 -4.487) 6.033 3.788 ( -2.363 10.427 -6.591) 12.560 3.957 ( -0.706 23.155 11.239) 25.748 4.082 ( -5.346 -0.676 0.710) 5.435 4.169 ( -2.927 6.657 -2.718) 7.763 4.274 ( -12.212 -4.917 1.707) 13.275 4.369 ( 3.806 0.516 -5.540) 6.741 4.540 ( -2.001 3.341 -3.436) 5.193 4.709 ( -1.922 4.780 4.134) 6.606 4.812 ( 0.816 7.373 -5.634) 9.315 4.912 ( 2.288 0.494 -3.117) 3.898 5.121 ( -3.745 5.917 -13.163) 14.910 5.239 ( -0.033 3.227 1.595) 3.599 5.307 ( -5.224 -3.473 2.990) 6.949 5.598 ( -7.633 5.579 6.990) 11.758 5.777 ( -3.204 -3.166 4.745) 6.543 5.804 ( 2.334 5.144 1.236) 5.783 6.042 ( -9.516 0.838 -2.934) 9.993 6.197 ( -1.687 6.807 -6.662) 9.673 6.390 ( 5.609 -15.280 2.723) 16.503 6.588 ( -3.842 3.554 9.337) 10.704 6.658 ( -4.741 6.391 0.306) 7.963 6.882 ( 5.325 -0.899 1.361) 5.570 7.006 ( 2.111 -0.118 -1.027) 2.350 7.074 ( 3.618 -5.120 3.389) 7.127 7.312 ( -3.672 -5.987 -6.791) 9.770 7.491 ( -0.105 4.977 0.370) 4.992 7.618 ( 2.698 5.151 1.567) 6.022 7.685 ( 0.921 2.561 2.694) 3.830 7.955 ( -0.564 0.480 0.991) 1.237 8.129 ( 1.895 6.720 4.292) 8.196 8.219 ( 8.884 11.941 2.008) 15.018 8.352 ( -1.221 -1.244 -3.302) 3.734 8.651 ( 4.930 -4.963 -7.636) 10.356 8.894 ( -2.995 0.159 4.387) 5.315 8.968 ( 4.328 1.416 3.337) 5.645 9.086 ( -1.862 5.806 0.764) 6.145 9.119 ( 1.660 8.868 2.868) 9.467 9.305 ( 3.170 -1.480 -3.197) 4.739 9.331 ( -0.104 -6.329 1.213) 6.445 9.538 ( -1.292 11.531 0.120) 11.603 9.621 ( -3.600 15.765 1.981) 16.292 10.112 ( -2.891 4.144 6.697) 8.389 10.175 ( 0.988 -10.752 -0.068) 10.798 10.340 ( -1.535 -4.370 -1.227) 4.791 10.601 ( -6.289 -6.136 -4.168) 9.725 10.668 ( -4.421 -12.441 -1.893) 13.338 10.849 ( 3.040 -7.678 -5.470) 9.906 10.990 ( 7.157 -8.638 1.018) 11.264 11.104 ( 1.672 -17.448 -2.280) 17.675 11.317 ( 2.232 3.648 -14.375) 14.998 11.397 ( 4.751 -4.796 -15.206) 16.637 11.785 ( -1.892 2.745 1.200) 3.544 11.937 ( 3.813 -0.312 1.386) 4.069 12.274 ( -4.102 -5.104 -10.029) 11.978 12.436 ( -2.610 -4.636 -10.046) 11.368 12.959 ( -2.332 11.706 9.884) 15.497 13.150 ( -5.154 -2.131 8.253) 9.961 13.543 ( -1.498 0.577 -15.469) 15.552 13.624 ( 0.736 -1.327 -15.840) 15.913 13.722 ( 0.462 4.909 -2.331) 5.454 13.878 ( 2.445 -4.881 -4.349) 6.980 14.090 ( -9.242 3.849 5.535) 11.440 14.232 ( -3.209 -3.831 4.780) 6.915 14.558 ( -2.794 7.257 18.425) 19.999 14.727 ( -0.635 -1.926 24.270) 24.355 15.044 ( -1.028 9.409 -0.589) 9.483 15.259 ( 2.466 3.972 -5.970) 7.583 15.538 ( -15.138 5.717 7.146) 17.689 15.570 ( -2.418 -2.325 7.109) 7.861 21.127 ( 24.546 2.948 -0.654) 24.732 21.334 ( 38.004 -9.127 -4.505) 39.343 22.532 ( 0.671 1.569 3.882) 4.241 22.670 ( -0.352 -4.814 -0.044) 4.827 22.806 ( 0.623 3.494 1.213) 3.751 22.968 ( 1.058 -4.021 0.871) 4.248 23.465 ( -2.923 2.330 0.919) 3.850 23.578 ( -1.824 -2.439 1.008) 3.208 23.692 ( 0.810 0.419 -2.174) 2.358 23.724 ( 0.933 -0.705 -2.349) 2.624 23.908 ( -1.502 5.728 0.735) 5.967 24.079 ( -1.930 -3.323 -1.504) 4.126 26.095 ( 0.759 6.442 -3.703) 7.469 26.230 ( -0.198 0.509 -7.956) 7.975 26.487 ( -4.389 6.665 2.640) 8.406 26.662 ( -4.869 -1.043 2.192) 5.441 27.228 ( 2.494 8.096 1.241) 8.562 27.409 ( 2.209 1.428 -7.426) 7.878 28.058 ( -6.566 -0.924 5.459) 8.589 28.120 ( -4.821 -1.940 0.524) 5.223 ======================= Grid point 86 (35/80) ======================= q-point: ( 0.29 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 14.046 14.964 5.599) 21.273 2.284 ( 6.623 22.558 -0.424) 23.514 2.622 ( 2.249 -10.934 -6.599) 12.967 2.904 ( -4.503 -1.534 5.144) 7.007 3.081 ( 12.659 12.531 -2.384) 17.971 3.227 ( 2.134 16.480 -13.632) 21.494 3.546 ( 4.825 -5.621 -11.073) 13.322 3.715 ( -4.047 6.179 2.244) 7.720 3.837 ( -8.757 8.574 2.829) 12.578 4.017 ( -5.949 -1.663 4.042) 7.382 4.041 ( -8.240 0.273 5.658) 10.000 4.122 ( -0.195 7.602 1.063) 7.678 4.373 ( -4.545 6.914 -9.035) 12.251 4.575 ( 2.951 4.480 5.821) 7.916 4.625 ( -5.321 3.381 -2.544) 6.799 4.800 ( -5.772 12.267 -15.441) 20.548 4.871 ( -2.110 -3.658 -0.308) 4.234 5.070 ( -5.080 -3.196 -9.851) 11.535 5.182 ( -4.747 0.128 -0.364) 4.762 5.274 ( 3.642 2.314 2.598) 5.037 5.533 ( 3.709 1.476 6.506) 7.633 5.705 ( -5.114 -4.181 7.473) 9.974 5.749 ( -5.665 9.795 -1.531) 11.418 5.937 ( -2.338 9.012 2.118) 9.548 6.161 ( -1.961 9.660 -2.724) 10.227 6.430 ( -1.917 -7.739 -1.595) 8.131 6.445 ( -8.731 -0.662 6.027) 10.629 6.616 ( -1.429 -0.815 2.917) 3.349 6.897 ( -3.063 0.778 1.713) 3.595 6.951 ( -6.566 3.197 3.540) 8.115 7.154 ( 2.610 -6.718 5.772) 9.234 7.253 ( 0.361 -7.014 -10.595) 12.712 7.576 ( 5.419 4.887 0.072) 7.297 7.712 ( 4.723 9.950 3.303) 11.499 7.791 ( 12.163 -2.544 0.385) 12.432 7.996 ( 5.441 1.994 1.585) 6.008 8.139 ( 0.152 -0.222 6.164) 6.169 8.288 ( -2.420 -2.434 -0.709) 3.505 8.400 ( 1.422 8.979 -4.279) 10.047 8.602 ( -4.013 3.887 -3.675) 6.688 8.816 ( -5.443 -1.216 3.536) 6.603 9.001 ( -4.066 16.460 -2.731) 17.173 9.128 ( 3.219 -4.297 4.830) 7.222 9.238 ( 13.124 -2.923 -0.575) 13.458 9.330 ( 1.374 1.411 1.231) 2.322 9.413 ( 5.192 4.646 -3.017) 7.592 9.527 ( 0.248 6.355 2.584) 6.865 9.554 ( -0.343 9.583 1.277) 9.674 10.050 ( -3.919 3.439 5.691) 7.718 10.162 ( -4.238 -14.594 -1.298) 15.252 10.338 ( 2.287 -8.189 4.378) 9.563 10.463 ( -6.905 -11.178 -5.805) 14.364 10.596 ( -1.955 -1.573 -3.349) 4.184 10.887 ( 0.152 -3.969 -3.839) 5.524 11.104 ( 2.726 -8.894 -0.379) 9.310 11.138 ( 2.454 -12.970 0.978) 13.236 11.381 ( 4.482 3.083 -10.458) 11.789 11.513 ( 7.101 -7.771 -14.363) 17.808 11.723 ( -4.500 2.102 -3.157) 5.886 11.980 ( -2.318 -7.378 -2.783) 8.219 12.227 ( 2.433 0.712 -9.354) 9.692 12.429 ( 2.759 -1.360 -8.805) 9.327 12.873 ( -7.116 8.317 1.172) 11.008 12.996 ( -10.406 0.306 5.397) 11.726 13.528 ( 0.714 4.170 -10.518) 11.336 13.645 ( 1.460 0.050 -6.705) 6.862 13.722 ( -0.688 5.938 -1.935) 6.283 13.875 ( -6.723 0.097 4.438) 8.056 13.986 ( 3.182 1.660 0.583) 3.636 14.192 ( -0.296 -4.351 4.725) 6.430 14.463 ( -6.542 3.227 19.236) 20.573 14.652 ( -7.799 -6.573 24.877) 26.887 15.045 ( 1.905 11.961 -2.847) 12.442 15.290 ( -7.614 12.691 6.008) 15.973 15.326 ( 2.791 -0.198 -2.320) 3.634 15.525 ( -2.771 -2.790 5.737) 6.955 21.698 ( 31.682 6.188 -1.429) 32.312 22.066 ( 32.686 -12.692 -8.722) 36.132 22.546 ( 0.475 0.222 2.938) 2.984 22.652 ( -1.749 -3.198 -0.349) 3.662 22.851 ( 5.153 1.996 3.442) 6.510 23.003 ( 2.873 -4.475 0.803) 5.378 23.379 ( -6.175 1.998 1.328) 6.625 23.517 ( -4.818 -3.826 1.004) 6.233 23.716 ( 1.665 0.737 -1.732) 2.513 23.755 ( 2.491 -0.791 -1.894) 3.228 23.867 ( -2.718 4.466 0.660) 5.269 24.020 ( -4.230 -3.563 -1.107) 5.640 26.117 ( 1.578 6.985 -3.375) 7.917 26.222 ( -0.683 4.525 -6.824) 8.217 26.401 ( -3.668 3.461 2.024) 5.434 26.549 ( -6.350 -1.199 1.167) 6.567 27.301 ( 5.099 7.622 0.776) 9.203 27.465 ( 3.636 1.928 -6.888) 8.024 27.893 ( -9.865 -0.658 5.543) 11.335 27.990 ( -8.390 -2.988 0.083) 8.907 ======================= Grid point 87 (36/80) ======================= q-point: ( 0.43 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 8.917 10.317 -0.184) 13.638 2.386 ( 2.370 15.082 -2.378) 15.452 2.705 ( 5.629 -7.023 -3.038) 9.499 2.819 ( -5.344 -4.929 0.922) 7.328 3.292 ( 7.161 16.443 -1.354) 17.986 3.298 ( 4.650 19.481 -4.838) 20.604 3.574 ( -0.173 10.147 -7.783) 12.790 3.670 ( -8.678 10.364 -2.294) 13.710 3.789 ( 11.146 -4.507 1.028) 12.066 3.914 ( -1.377 0.638 1.303) 2.001 3.963 ( -1.445 -2.741 1.737) 3.552 4.112 ( -8.233 -1.976 -5.397) 10.041 4.265 ( 1.009 6.967 -0.988) 7.109 4.422 ( -10.658 4.664 3.185) 12.062 4.622 ( -1.024 -2.328 -9.667) 9.996 4.678 ( -5.050 4.961 -7.620) 10.401 4.888 ( 2.812 3.303 4.656) 6.364 4.950 ( -4.318 3.368 3.795) 6.662 5.185 ( 4.434 -4.412 -6.642) 9.124 5.298 ( -4.011 -5.317 -1.758) 6.889 5.639 ( 2.350 2.107 2.324) 3.919 5.686 ( 0.385 12.443 3.516) 12.936 5.705 ( 7.307 2.899 1.718) 8.047 5.859 ( -6.141 11.372 -1.356) 12.995 6.129 ( 0.114 9.626 0.543) 9.642 6.239 ( -10.646 1.825 5.274) 12.020 6.441 ( 3.686 -4.923 -2.286) 6.561 6.549 ( -5.916 -5.879 2.039) 8.586 6.831 ( -1.782 3.688 7.280) 8.354 6.850 ( -3.258 3.130 2.634) 5.230 7.197 ( 3.070 -8.721 2.660) 9.621 7.255 ( -1.996 -9.743 -2.890) 10.356 7.692 ( 5.927 9.882 -0.641) 11.541 7.757 ( -0.345 12.175 1.216) 12.240 8.024 ( 10.638 3.332 -4.918) 12.185 8.135 ( 2.425 -4.658 3.688) 6.417 8.158 ( 2.630 -7.266 3.156) 8.347 8.252 ( -11.318 6.739 -0.839) 13.199 8.288 ( 7.596 -4.472 1.360) 8.919 8.516 ( -10.505 -6.216 -3.544) 12.710 8.789 ( 4.498 15.121 3.190) 16.096 8.901 ( -6.005 17.499 -1.282) 18.545 9.212 ( 6.023 -0.684 3.372) 6.937 9.330 ( -4.065 -1.785 1.854) 4.811 9.390 ( 1.150 10.951 -0.719) 11.035 9.402 ( -0.266 4.941 -0.035) 4.948 9.644 ( 9.890 3.033 -1.504) 10.453 9.685 ( 8.879 -5.415 -1.868) 10.566 9.949 ( -5.197 0.158 5.545) 7.601 10.019 ( -9.325 -10.204 3.191) 14.186 10.364 ( -0.235 -16.847 1.167) 16.889 10.374 ( -2.079 -14.476 -1.483) 14.700 10.656 ( 7.949 7.264 -5.182) 11.950 10.820 ( -7.244 1.757 -4.317) 8.614 11.134 ( 1.840 -9.311 0.822) 9.527 11.164 ( -0.518 -11.924 1.009) 11.978 11.484 ( 5.987 1.623 -8.341) 10.395 11.594 ( -4.130 1.061 -5.864) 7.251 11.690 ( 6.666 -10.233 -11.588) 16.835 11.852 ( -8.802 -11.811 -8.877) 17.199 12.377 ( 10.935 6.743 -4.820) 13.722 12.514 ( 2.334 5.790 -6.475) 8.995 12.709 ( -6.202 1.664 -4.989) 8.132 12.793 ( -9.892 1.180 -2.611) 10.299 13.582 ( 4.690 6.064 -2.102) 7.950 13.672 ( -1.126 4.547 -0.350) 4.698 13.691 ( -0.715 2.696 -3.528) 4.497 13.744 ( -5.113 1.992 0.130) 5.489 14.096 ( 6.855 0.729 6.935) 9.778 14.199 ( -1.644 0.308 8.009) 8.182 14.365 ( -0.686 -4.872 17.389) 18.072 14.471 ( -9.360 -7.294 19.822) 23.102 15.107 ( 3.906 12.298 0.598) 12.917 15.182 ( -4.138 12.973 3.629) 14.092 15.396 ( 3.726 -2.208 0.529) 4.363 15.465 ( -3.409 -2.659 3.520) 5.575 22.224 ( 21.013 6.256 -1.875) 22.005 22.432 ( 2.817 1.371 -4.982) 5.885 22.547 ( 1.356 -4.342 -0.159) 4.551 22.604 ( -2.935 -2.099 -0.764) 3.688 23.017 ( 9.654 -1.412 1.372) 9.853 23.101 ( 6.259 -2.616 -0.447) 6.799 23.248 ( -4.464 -2.718 3.721) 6.416 23.380 ( -9.761 -6.418 1.993) 11.851 23.755 ( 2.444 1.571 -0.929) 3.051 23.806 ( -1.916 2.478 -0.296) 3.146 23.826 ( 3.370 -1.326 -1.031) 3.765 23.923 ( -5.544 -3.039 -0.980) 6.398 26.154 ( 2.262 8.274 -2.870) 9.045 26.197 ( -1.978 8.997 -3.643) 9.906 26.374 ( 1.111 -1.390 -0.956) 2.019 26.437 ( -5.006 -1.720 -0.841) 5.360 27.421 ( 7.170 7.669 0.168) 10.500 27.521 ( -0.339 6.629 -4.390) 7.958 27.739 ( -2.971 -4.348 4.114) 6.683 27.822 ( -8.406 -4.436 0.108) 9.506 ======================= Grid point 91 (37/80) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 2.362 ( 0.000 -21.967 -3.867) 22.305 2.362 ( 0.000 21.967 -3.867) 22.305 2.667 ( 0.000 -22.073 -7.174) 23.210 2.667 ( 0.000 22.073 -7.174) 23.210 3.089 ( 0.000 -6.294 6.444) 9.008 3.089 ( 0.000 6.294 6.444) 9.008 3.753 ( 0.000 -19.391 -3.724) 19.746 3.753 ( 0.000 19.391 -3.724) 19.746 4.143 ( 0.000 -5.145 -0.367) 5.158 4.143 ( 0.000 5.145 -0.367) 5.158 4.295 ( 0.000 -1.198 -12.809) 12.865 4.295 ( 0.000 1.198 -12.809) 12.865 4.458 ( 0.000 -11.149 11.710) 16.168 4.458 ( 0.000 11.149 11.710) 16.168 4.782 ( 0.000 -0.455 6.670) 6.685 4.782 ( 0.000 0.455 6.670) 6.685 5.065 ( 0.000 -12.613 -15.157) 19.718 5.065 ( 0.000 12.613 -15.157) 19.718 5.319 ( 0.000 -3.341 3.817) 5.073 5.319 ( 0.000 3.341 3.817) 5.073 5.830 ( 0.000 -2.092 2.451) 3.223 5.830 ( 0.000 2.092 2.451) 3.223 5.954 ( 0.000 -18.054 4.222) 18.541 5.954 ( 0.000 18.054 4.222) 18.541 6.199 ( 0.000 -4.545 -3.837) 5.948 6.199 ( 0.000 4.545 -3.837) 5.948 6.755 ( 0.000 -8.008 3.654) 8.803 6.755 ( 0.000 8.008 3.654) 8.803 6.818 ( 0.000 -1.173 2.087) 2.394 6.818 ( 0.000 1.173 2.087) 2.394 7.191 ( 0.000 -8.915 -2.700) 9.315 7.191 ( 0.000 8.915 -2.700) 9.315 7.596 ( 0.000 -3.578 -4.384) 5.659 7.596 ( 0.000 3.578 -4.384) 5.659 7.840 ( 0.000 -9.896 6.989) 12.115 7.840 ( 0.000 9.896 6.989) 12.115 8.269 ( 0.000 -8.223 -0.649) 8.248 8.269 ( 0.000 8.223 -0.649) 8.248 8.383 ( 0.000 -11.612 -0.990) 11.654 8.383 ( 0.000 11.612 -0.990) 11.654 8.893 ( 0.000 -0.644 1.004) 1.193 8.893 ( 0.000 0.644 1.004) 1.193 9.166 ( 0.000 -4.259 1.768) 4.611 9.166 ( 0.000 4.259 1.768) 4.611 9.319 ( 0.000 -0.319 3.879) 3.892 9.319 ( 0.000 0.319 3.879) 3.892 9.866 ( 0.000 -18.698 -2.923) 18.926 9.866 ( 0.000 18.698 -2.923) 18.926 10.082 ( 0.000 -22.012 4.663) 22.501 10.082 ( 0.000 22.012 4.663) 22.501 10.379 ( 0.000 -21.919 -0.641) 21.928 10.379 ( 0.000 21.919 -0.641) 21.928 10.695 ( 0.000 -5.258 -8.298) 9.823 10.695 ( 0.000 5.258 -8.298) 9.823 10.820 ( 0.000 -4.236 -0.289) 4.246 10.820 ( 0.000 4.236 -0.289) 4.246 11.339 ( 0.000 -1.144 -16.210) 16.250 11.339 ( 0.000 1.144 -16.210) 16.250 11.870 ( 0.000 -3.732 3.068) 4.831 11.870 ( 0.000 3.732 3.068) 4.831 12.325 ( 0.000 -6.228 -7.113) 9.454 12.325 ( 0.000 6.228 -7.113) 9.454 13.146 ( 0.000 -4.626 14.409) 15.134 13.146 ( 0.000 4.626 14.409) 15.134 13.576 ( 0.000 -1.916 -22.864) 22.945 13.576 ( 0.000 1.916 -22.864) 22.945 13.781 ( 0.000 -3.170 -5.039) 5.953 13.781 ( 0.000 3.170 -5.039) 5.953 14.222 ( 0.000 -1.670 5.400) 5.652 14.222 ( 0.000 1.670 5.400) 5.652 14.689 ( 0.000 -3.392 22.455) 22.710 14.689 ( 0.000 3.392 22.455) 22.710 15.218 ( 0.000 -7.500 -4.376) 8.683 15.218 ( 0.000 7.500 -4.376) 8.683 15.653 ( 0.000 -6.161 5.849) 8.495 15.653 ( 0.000 6.161 5.849) 8.495 20.889 ( 0.000 -0.795 -0.347) 0.868 20.889 ( 0.000 0.795 -0.347) 0.868 22.583 ( 0.000 -4.006 0.911) 4.108 22.583 ( 0.000 4.006 0.911) 4.108 22.880 ( 0.000 -4.398 0.956) 4.500 22.880 ( 0.000 4.398 0.956) 4.500 23.544 ( 0.000 -2.975 0.968) 3.129 23.544 ( 0.000 2.975 0.968) 3.129 23.697 ( 0.000 -0.943 -2.425) 2.602 23.697 ( 0.000 0.943 -2.425) 2.602 24.024 ( 0.000 -4.542 -0.380) 4.557 24.024 ( 0.000 4.542 -0.380) 4.557 26.188 ( 0.000 -3.980 -5.555) 6.834 26.188 ( 0.000 3.980 -5.555) 6.834 26.654 ( 0.000 -5.008 2.663) 5.672 26.654 ( 0.000 5.008 2.663) 5.672 27.342 ( 0.000 -5.612 -0.488) 5.633 27.342 ( 0.000 5.612 -0.488) 5.633 28.133 ( 0.000 -1.743 1.321) 2.187 28.133 ( 0.000 1.743 1.321) 2.187 ======================= Grid point 93 (38/80) ======================= q-point: ( 0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -2.374 -19.726 -3.037) 20.099 2.314 ( -2.374 19.726 -3.037) 20.099 2.690 ( 1.271 -22.864 -3.911) 23.231 2.690 ( 1.271 22.864 -3.911) 23.231 3.121 ( 4.504 -9.961 1.321) 11.011 3.121 ( 4.504 9.961 1.321) 11.011 3.727 ( -2.565 -18.558 -3.957) 19.148 3.727 ( -2.565 18.558 -3.957) 19.148 4.095 ( -6.559 -7.932 -1.242) 10.367 4.095 ( -6.559 7.932 -1.242) 10.367 4.223 ( -5.404 -2.786 0.436) 6.096 4.223 ( -5.404 2.786 0.436) 6.096 4.497 ( 3.561 -7.511 -0.692) 8.341 4.497 ( 3.561 7.511 -0.692) 8.341 4.771 ( -1.004 -4.186 5.561) 7.032 4.771 ( -1.004 4.186 5.561) 7.032 5.051 ( -2.154 -9.344 -17.076) 19.585 5.051 ( -2.154 9.344 -17.076) 19.585 5.274 ( -3.654 -1.434 5.282) 6.581 5.274 ( -3.654 1.434 5.282) 6.581 5.727 ( -8.150 -5.317 5.710) 11.283 5.727 ( -8.150 5.317 5.710) 11.283 6.038 ( 4.684 -18.005 2.419) 18.761 6.038 ( 4.684 18.005 2.419) 18.761 6.175 ( -0.481 -8.932 -1.519) 9.073 6.175 ( -0.481 8.932 -1.519) 9.073 6.707 ( -6.192 -5.119 4.476) 9.197 6.707 ( -6.192 5.119 4.476) 9.197 6.899 ( 7.576 -4.946 -1.699) 9.206 6.899 ( 7.576 4.946 -1.699) 9.206 7.158 ( -3.427 -9.026 -2.948) 10.095 7.158 ( -3.427 9.026 -2.948) 10.095 7.587 ( 0.387 -4.581 0.475) 4.622 7.587 ( 0.387 4.581 0.475) 4.622 7.847 ( 2.216 -9.510 6.387) 11.668 7.847 ( 2.216 9.510 6.387) 11.668 8.260 ( -2.138 -6.139 -0.433) 6.515 8.260 ( -2.138 6.139 -0.433) 6.515 8.489 ( 8.713 -11.922 -5.166) 15.645 8.489 ( 8.713 11.922 -5.166) 15.645 8.876 ( -0.991 -3.311 3.442) 4.878 8.876 ( -0.991 3.311 3.442) 4.878 9.183 ( 1.992 -5.035 0.884) 5.487 9.183 ( 1.992 5.035 0.884) 5.487 9.317 ( -0.170 -2.849 3.273) 4.342 9.317 ( -0.170 2.849 3.273) 4.342 9.862 ( -0.102 -18.692 -2.478) 18.856 9.862 ( -0.102 18.692 -2.478) 18.856 10.024 ( -5.254 -22.174 4.432) 23.215 10.024 ( -5.254 22.174 4.432) 23.215 10.325 ( -4.847 -15.956 -0.743) 16.693 10.325 ( -4.847 15.956 -0.743) 16.693 10.721 ( 2.521 -7.874 -7.909) 11.442 10.721 ( 2.521 7.874 -7.909) 11.442 10.885 ( 5.108 -2.040 0.713) 5.546 10.885 ( 5.108 2.040 0.713) 5.546 11.366 ( 2.724 -1.353 -15.172) 15.474 11.366 ( 2.724 1.353 -15.172) 15.474 11.873 ( -0.401 -5.708 1.355) 5.881 11.873 ( -0.401 5.708 1.355) 5.881 12.297 ( -1.742 -6.888 -7.431) 10.281 12.297 ( -1.742 6.888 -7.431) 10.281 13.109 ( -4.136 -4.001 10.709) 12.157 13.109 ( -4.136 4.001 10.709) 12.157 13.580 ( 0.602 -2.758 -18.613) 18.826 13.580 ( 0.602 2.758 -18.613) 18.826 13.801 ( 1.779 -3.670 -3.050) 5.093 13.801 ( 1.779 3.670 -3.050) 5.093 14.160 ( -5.321 -3.716 4.699) 8.012 14.160 ( -5.321 3.716 4.699) 8.012 14.663 ( -3.470 -4.297 23.161) 23.810 14.663 ( -3.470 4.297 23.161) 23.810 15.217 ( 0.259 -7.447 -4.695) 8.808 15.217 ( 0.259 7.447 -4.695) 8.808 15.575 ( -6.457 -1.115 6.251) 9.056 15.575 ( -6.457 1.115 6.251) 9.056 21.203 ( 29.529 -5.172 -1.913) 30.040 21.203 ( 29.529 5.172 -1.913) 30.040 22.586 ( 0.225 -3.839 0.774) 3.922 22.586 ( 0.225 3.839 0.774) 3.922 22.886 ( 0.679 -4.554 1.299) 4.784 22.886 ( 0.679 4.554 1.299) 4.784 23.521 ( -2.567 -3.283 0.935) 4.271 23.521 ( -2.567 3.283 0.935) 4.271 23.706 ( 0.937 -0.980 -2.278) 2.651 23.706 ( 0.937 0.980 -2.278) 2.651 24.005 ( -2.033 -4.468 -0.294) 4.918 24.005 ( -2.033 4.468 -0.294) 4.918 26.196 ( 0.841 -3.851 -5.314) 6.616 26.196 ( 0.841 3.851 -5.314) 6.616 26.604 ( -4.835 -4.992 2.646) 7.437 26.604 ( -4.835 4.992 2.646) 7.437 27.364 ( 2.234 -5.549 -0.720) 6.025 27.364 ( 2.234 5.549 -0.720) 6.025 28.077 ( -5.738 -2.274 1.244) 6.296 28.077 ( -5.738 2.274 1.244) 6.296 ======================= Grid point 95 (39/80) ======================= q-point: ( 0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 7.447 -14.398 -2.834) 16.456 2.361 ( 7.447 14.398 -2.834) 16.456 2.694 ( -0.736 -17.702 0.858) 17.738 2.694 ( -0.736 17.702 0.858) 17.738 3.290 ( 12.860 -10.171 -6.521) 17.645 3.290 ( 12.860 10.171 -6.521) 17.645 3.661 ( -3.911 -15.472 -4.658) 16.624 3.661 ( -3.911 15.472 -4.658) 16.624 3.918 ( -8.619 -7.802 3.641) 12.182 3.918 ( -8.619 7.802 3.641) 12.182 4.145 ( -3.786 -5.289 1.951) 6.791 4.145 ( -3.786 5.289 1.951) 6.791 4.514 ( -3.214 -7.133 -7.293) 10.696 4.514 ( -3.214 7.133 -7.293) 10.696 4.739 ( -4.415 -8.664 4.505) 10.717 4.739 ( -4.415 8.664 4.505) 10.717 4.985 ( -2.194 -6.972 -14.782) 16.491 4.985 ( -2.194 6.972 -14.782) 16.491 5.215 ( -2.986 -4.458 2.784) 6.045 5.215 ( -2.986 4.458 2.784) 6.045 5.599 ( -2.208 -6.013 9.090) 11.121 5.599 ( -2.208 6.013 9.090) 11.121 6.051 ( -3.081 -13.788 2.069) 14.279 6.051 ( -3.081 13.788 2.069) 14.279 6.219 ( 3.698 -10.960 -0.736) 11.590 6.219 ( 3.698 10.960 -0.736) 11.590 6.557 ( -8.405 -8.682 2.367) 12.314 6.557 ( -8.405 8.682 2.367) 12.314 6.989 ( 0.302 -7.651 1.321) 7.771 6.989 ( 0.302 7.651 1.321) 7.771 7.087 ( -2.974 -9.450 -2.875) 10.316 7.087 ( -2.974 9.450 -2.875) 10.316 7.676 ( 9.221 -5.558 2.381) 11.027 7.676 ( 9.221 5.558 2.381) 11.027 7.926 ( 5.263 -8.613 4.735) 11.149 7.926 ( 5.263 8.613 4.735) 11.149 8.202 ( -3.231 -5.213 0.198) 6.136 8.202 ( -3.231 5.213 0.198) 6.136 8.547 ( -4.768 -7.067 -7.055) 11.066 8.547 ( -4.768 7.067 -7.055) 11.066 8.927 ( 6.918 -12.189 5.814) 15.173 8.927 ( 6.918 12.189 5.814) 15.173 9.241 ( 1.949 -6.013 -0.927) 6.388 9.241 ( 1.949 6.013 -0.927) 6.388 9.326 ( 3.475 -2.770 1.673) 4.749 9.326 ( 3.475 2.770 1.673) 4.749 9.833 ( -4.936 -15.212 0.452) 15.999 9.833 ( -4.936 15.212 0.452) 15.999 9.951 ( 0.172 -22.559 1.866) 22.636 9.951 ( 0.172 22.559 1.866) 22.636 10.217 ( -6.188 -9.931 -0.384) 11.708 10.217 ( -6.188 9.931 -0.384) 11.708 10.784 ( 3.985 -11.598 -7.106) 14.173 10.784 ( 3.985 11.598 -7.106) 14.173 10.960 ( 1.972 -2.581 1.649) 3.642 10.960 ( 1.972 2.581 1.649) 3.642 11.439 ( 4.720 -2.726 -12.081) 13.254 11.439 ( 4.720 2.726 -12.081) 13.254 11.815 ( -5.960 -7.627 -3.254) 10.212 11.815 ( -5.960 7.627 -3.254) 10.212 12.327 ( 6.000 -7.314 -7.202) 11.889 12.327 ( 6.000 7.314 -7.202) 11.889 12.978 ( -9.541 -2.944 2.520) 10.298 12.978 ( -9.541 2.944 2.520) 10.298 13.606 ( 2.262 -3.596 -9.722) 10.610 13.606 ( 2.262 3.596 -9.722) 10.610 13.819 ( -1.092 -4.307 0.624) 4.487 13.819 ( -1.092 4.307 0.624) 4.487 14.088 ( -0.296 -6.343 4.627) 7.857 14.088 ( -0.296 6.343 4.627) 7.857 14.538 ( -9.196 -5.061 21.961) 24.340 14.538 ( -9.196 5.061 21.961) 24.340 15.241 ( 2.406 -8.037 -3.172) 8.969 15.241 ( 2.406 8.037 -3.172) 8.969 15.461 ( -5.023 -5.153 5.577) 9.104 15.461 ( -5.023 5.153 5.577) 9.104 21.848 ( 33.611 -9.800 -4.028) 35.242 21.848 ( 33.611 9.800 -4.028) 35.242 22.586 ( -0.476 -3.294 0.187) 3.334 22.586 ( -0.476 3.294 0.187) 3.334 22.918 ( 3.240 -4.375 2.281) 5.903 22.918 ( 3.240 4.375 2.281) 5.903 23.439 ( -6.296 -4.051 1.033) 7.557 23.439 ( -6.296 4.051 1.033) 7.557 23.734 ( 2.105 -1.188 -1.867) 3.054 23.734 ( 2.105 1.188 -1.867) 3.054 23.947 ( -3.888 -4.038 -0.255) 5.611 23.947 ( -3.888 4.038 -0.255) 5.611 26.223 ( 2.102 -3.595 -4.472) 6.111 26.223 ( 2.102 3.595 -4.472) 6.111 26.491 ( -6.436 -4.732 1.800) 8.189 26.491 ( -6.436 4.732 1.800) 8.189 27.429 ( 4.734 -5.184 -0.795) 7.066 27.429 ( 4.734 5.184 -0.795) 7.066 27.926 ( -9.628 -3.361 0.989) 10.245 27.926 ( -9.628 3.361 0.989) 10.246 ======================= Grid point 97 (40/80) ======================= q-point: ( 0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 8.418 -10.470 -3.145) 13.798 2.530 ( 8.418 10.470 -3.145) 13.798 2.653 ( -4.137 -11.979 -0.474) 12.683 2.653 ( -4.137 11.979 -0.474) 12.683 3.545 ( 9.857 -10.481 -4.702) 15.137 3.545 ( 9.857 10.481 -4.702) 15.137 3.626 ( 0.262 -12.465 -2.283) 12.675 3.626 ( 0.262 12.465 -2.283) 12.675 3.840 ( 3.131 -7.118 -0.040) 7.776 3.840 ( 3.131 7.118 -0.040) 7.776 4.030 ( -9.916 -5.974 -2.930) 11.942 4.030 ( -9.916 5.974 -2.930) 11.942 4.444 ( -0.243 -11.619 -2.817) 11.958 4.444 ( -0.243 11.619 -2.817) 11.958 4.561 ( -10.814 -10.239 1.054) 14.930 4.561 ( -10.814 10.239 1.054) 14.930 5.028 ( 4.892 -5.518 -5.309) 9.086 5.028 ( 4.892 5.518 -5.309) 9.086 5.131 ( -5.449 -7.479 -1.203) 9.332 5.131 ( -5.449 7.479 -1.203) 9.332 5.694 ( 10.565 -2.667 5.417) 12.169 5.694 ( 10.565 2.667 5.417) 12.169 5.917 ( -10.703 -7.665 2.577) 13.415 5.917 ( -10.703 7.665 2.577) 13.415 6.297 ( 4.852 -9.678 -0.602) 10.843 6.297 ( 4.852 9.678 -0.602) 10.843 6.410 ( -6.825 -11.055 1.087) 13.038 6.410 ( -6.825 11.055 1.087) 13.038 6.980 ( 0.867 -9.934 4.298) 10.859 6.980 ( 0.867 9.934 4.298) 10.859 7.029 ( -3.415 -11.448 0.247) 11.949 7.029 ( -3.415 11.448 0.247) 11.949 7.876 ( 9.577 -8.992 -1.039) 13.178 7.876 ( 9.577 8.992 -1.039) 13.178 7.990 ( -1.165 -9.622 1.698) 9.840 7.990 ( -1.165 9.622 1.698) 9.840 8.196 ( 5.157 -5.221 1.462) 7.483 8.196 ( 5.157 5.221 1.462) 7.483 8.375 ( -11.088 -6.924 -1.689) 13.181 8.375 ( -11.088 6.924 -1.689) 13.181 9.071 ( 7.234 -12.867 2.829) 15.029 9.071 ( 7.234 12.867 2.829) 15.029 9.194 ( -5.256 -11.856 0.726) 12.989 9.194 ( -5.256 11.856 0.726) 12.989 9.493 ( 11.108 -7.394 -0.239) 13.346 9.493 ( 11.108 7.394 -0.239) 13.346 9.692 ( -9.134 -12.555 1.236) 15.575 9.692 ( -9.134 12.555 1.236) 15.575 10.005 ( 4.245 -17.875 0.028) 18.372 10.005 ( 4.245 17.875 0.028) 18.372 10.101 ( -5.665 -11.619 -0.113) 12.927 10.101 ( -5.665 11.619 -0.113) 12.927 10.871 ( 4.817 -11.524 -4.276) 13.202 10.871 ( 4.817 11.524 -4.276) 13.202 10.950 ( -2.844 -7.342 -0.321) 7.880 10.950 ( -2.844 7.342 -0.321) 7.880 11.543 ( 6.192 -4.573 -8.871) 11.746 11.543 ( 6.192 4.573 -8.871) 11.746 11.676 ( -7.623 -6.318 -6.416) 11.798 11.676 ( -7.623 6.318 -6.416) 11.798 12.510 ( 12.146 -5.705 -6.650) 14.977 12.510 ( 12.146 5.705 -6.650) 14.977 12.758 ( -12.934 -3.803 -3.804) 14.008 12.758 ( -12.934 3.803 -3.804) 14.008 13.667 ( 4.050 -2.673 -3.453) 5.956 13.667 ( 4.050 2.673 -3.453) 5.956 13.754 ( -4.685 -1.618 -0.304) 4.966 13.754 ( -4.685 1.618 -0.304) 4.966 14.166 ( 7.505 -4.972 10.458) 13.800 14.166 ( 7.505 4.972 10.458) 13.800 14.343 ( -10.386 -4.569 17.289) 20.679 14.343 ( -10.386 4.569 17.289) 20.679 15.303 ( 3.755 -7.783 0.099) 8.642 15.303 ( 3.755 7.783 0.099) 8.642 15.378 ( -4.000 -7.195 3.250) 8.851 15.378 ( -4.000 7.195 3.250) 8.851 22.358 ( 17.725 -7.357 -3.940) 19.591 22.358 ( 17.725 7.357 -3.940) 19.591 22.548 ( -4.350 -3.193 -1.428) 5.582 22.548 ( -4.350 3.193 -1.428) 5.582 23.042 ( 10.331 -3.182 2.885) 11.188 23.042 ( 10.331 3.182 2.885) 11.188 23.270 ( -11.375 -4.437 1.718) 12.330 23.270 ( -11.375 4.437 1.718) 12.330 23.787 ( 3.456 -1.870 -1.268) 4.129 23.787 ( 3.456 1.870 -1.268) 4.129 23.865 ( -4.451 -3.021 -0.618) 5.415 23.865 ( -4.451 3.021 -0.618) 5.415 26.280 ( 3.910 -3.611 -2.777) 6.003 26.280 ( 3.910 3.611 -2.777) 6.003 26.372 ( -5.664 -4.124 -0.347) 7.015 26.372 ( -5.664 4.124 -0.347) 7.015 27.551 ( 8.000 -4.800 -0.251) 9.333 27.551 ( 8.000 4.800 -0.251) 9.333 27.729 ( -10.321 -4.305 0.482) 11.193 27.729 ( -10.321 4.305 0.482) 11.193 ======================= Grid point 126 (41/80) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 1.349 ( 0.000 0.000 22.426) 22.426 1.553 ( 0.000 0.000 37.161) 37.161 1.670 ( 0.000 0.000 13.179) 13.179 1.879 ( 0.000 0.000 -2.664) 2.664 2.192 ( 0.000 0.000 46.806) 46.806 3.060 ( 0.000 0.000 -15.780) 15.780 3.242 ( 0.000 0.000 -0.891) 0.891 3.248 ( 0.000 0.000 -17.007) 17.007 3.450 ( 0.000 0.000 -1.453) 1.453 3.557 ( 0.000 0.000 6.998) 6.998 3.619 ( 0.000 0.000 -18.373) 18.373 3.838 ( 0.000 0.000 8.119) 8.119 4.061 ( 0.000 0.000 -6.694) 6.694 4.289 ( 0.000 0.000 -3.875) 3.875 4.311 ( 0.000 0.000 -12.678) 12.678 4.645 ( 0.000 0.000 -10.793) 10.793 4.688 ( 0.000 0.000 7.449) 7.449 4.933 ( 0.000 0.000 4.661) 4.661 5.157 ( 0.000 0.000 -8.222) 8.222 5.206 ( 0.000 0.000 -2.395) 2.395 5.577 ( 0.000 0.000 -19.507) 19.507 5.795 ( 0.000 0.000 -20.948) 20.948 6.011 ( 0.000 0.000 15.249) 15.249 6.513 ( 0.000 0.000 0.095) 0.095 6.601 ( 0.000 0.000 -4.278) 4.278 6.611 ( 0.000 0.000 -9.081) 9.081 6.655 ( 0.000 0.000 17.824) 17.824 6.789 ( 0.000 0.000 7.896) 7.896 6.869 ( 0.000 0.000 2.710) 2.710 7.091 ( 0.000 0.000 7.175) 7.175 7.268 ( 0.000 0.000 2.373) 2.373 7.302 ( 0.000 0.000 9.274) 9.274 7.349 ( 0.000 0.000 -3.084) 3.084 7.389 ( 0.000 0.000 0.807) 0.807 7.445 ( 0.000 0.000 1.687) 1.687 7.527 ( 0.000 0.000 -7.784) 7.784 7.560 ( 0.000 0.000 -5.088) 5.088 7.708 ( 0.000 0.000 5.155) 5.155 8.388 ( 0.000 0.000 8.783) 8.783 8.540 ( 0.000 0.000 7.750) 7.750 8.541 ( 0.000 0.000 2.817) 2.817 8.613 ( 0.000 0.000 0.838) 0.838 8.704 ( 0.000 0.000 5.282) 5.282 9.085 ( 0.000 0.000 -3.118) 3.118 9.141 ( 0.000 0.000 -7.249) 7.249 9.158 ( 0.000 0.000 -8.923) 8.923 9.438 ( 0.000 0.000 13.278) 13.278 9.719 ( 0.000 0.000 8.242) 8.242 10.134 ( 0.000 0.000 -6.674) 6.674 10.442 ( 0.000 0.000 17.364) 17.364 10.612 ( 0.000 0.000 -18.280) 18.280 10.913 ( 0.000 0.000 -5.216) 5.216 10.925 ( 0.000 0.000 2.483) 2.483 11.041 ( 0.000 0.000 -7.036) 7.036 11.500 ( 0.000 0.000 1.620) 1.620 11.512 ( 0.000 0.000 3.984) 3.984 11.586 ( 0.000 0.000 1.119) 1.119 11.595 ( 0.000 0.000 3.426) 3.426 11.641 ( 0.000 0.000 -0.314) 0.314 11.800 ( 0.000 0.000 -3.743) 3.743 12.241 ( 0.000 0.000 -0.070) 0.070 12.257 ( 0.000 0.000 13.556) 13.556 12.797 ( 0.000 0.000 -17.937) 17.937 12.901 ( 0.000 0.000 -17.206) 17.206 13.282 ( 0.000 0.000 -12.618) 12.618 13.480 ( 0.000 0.000 7.128) 7.128 13.931 ( 0.000 0.000 -14.650) 14.650 13.943 ( 0.000 0.000 -0.883) 0.883 14.043 ( 0.000 0.000 1.236) 1.236 14.114 ( 0.000 0.000 -2.797) 2.797 14.504 ( 0.000 0.000 7.928) 7.928 14.582 ( 0.000 0.000 3.940) 3.940 14.917 ( 0.000 0.000 12.707) 12.707 15.131 ( 0.000 0.000 6.840) 6.840 15.841 ( 0.000 0.000 5.379) 5.379 16.152 ( 0.000 0.000 -3.505) 3.505 20.863 ( 0.000 0.000 0.561) 0.561 20.914 ( 0.000 0.000 -0.932) 0.932 22.768 ( 0.000 0.000 3.240) 3.240 22.916 ( 0.000 0.000 1.134) 1.134 23.126 ( 0.000 0.000 3.051) 3.051 23.417 ( 0.000 0.000 -4.104) 4.104 23.499 ( 0.000 0.000 1.532) 1.532 23.568 ( 0.000 0.000 0.044) 0.044 23.568 ( 0.000 0.000 0.066) 0.066 23.614 ( 0.000 0.000 1.106) 1.106 23.648 ( 0.000 0.000 -2.743) 2.743 23.699 ( 0.000 0.000 -1.377) 1.377 25.572 ( 0.000 0.000 0.956) 0.956 25.734 ( 0.000 0.000 -5.018) 5.018 26.321 ( 0.000 0.000 2.278) 2.278 26.518 ( 0.000 0.000 -3.088) 3.088 26.740 ( 0.000 0.000 4.303) 4.303 26.921 ( 0.000 0.000 -0.797) 0.797 28.235 ( 0.000 0.000 3.840) 3.840 28.542 ( 0.000 0.000 -5.595) 5.595 ======================= Grid point 127 (42/80) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 7.966 0.000 19.407) 20.978 1.509 ( 1.562 0.000 34.908) 34.943 1.681 ( 3.688 0.000 6.013) 7.055 2.037 ( 12.263 0.000 0.584) 12.277 2.425 ( 18.696 0.000 36.715) 41.201 3.024 ( -4.757 0.000 -13.231) 14.061 3.075 ( -11.309 0.000 -14.379) 18.293 3.199 ( -2.945 0.000 -0.177) 2.950 3.448 ( -1.587 0.000 -0.780) 1.768 3.552 ( -8.161 0.000 -5.388) 9.779 3.558 ( 1.434 0.000 5.045) 5.245 3.820 ( -1.846 0.000 -4.208) 4.595 3.998 ( -5.937 0.000 -5.548) 8.125 4.235 ( -1.819 0.000 -3.750) 4.168 4.250 ( -7.630 0.000 -12.899) 14.987 4.678 ( 1.049 0.000 -7.942) 8.011 4.755 ( 6.712 0.000 7.547) 10.100 4.925 ( 3.381 0.000 3.689) 5.004 5.116 ( -8.768 0.000 -6.592) 10.970 5.242 ( 8.292 0.000 -8.347) 11.766 5.564 ( -9.231 0.000 -13.384) 16.259 5.710 ( -1.429 0.000 -15.566) 15.631 6.044 ( 0.687 0.000 8.540) 8.568 6.283 ( -18.216 0.000 0.921) 18.239 6.379 ( -14.168 0.000 0.044) 14.168 6.532 ( -6.375 0.000 4.801) 7.981 6.762 ( 4.330 0.000 0.717) 4.389 6.840 ( 1.725 0.000 1.991) 2.634 6.932 ( 4.475 0.000 -0.080) 4.476 7.109 ( 5.909 0.000 8.684) 10.504 7.286 ( -1.296 0.000 0.748) 1.496 7.295 ( 4.105 0.000 7.346) 8.415 7.325 ( -3.043 0.000 0.276) 3.055 7.447 ( -0.982 0.000 -0.399) 1.060 7.481 ( 0.836 0.000 -0.359) 0.910 7.619 ( 2.211 0.000 5.257) 5.703 7.632 ( 2.568 0.000 -4.839) 5.478 8.001 ( 34.753 0.000 -14.185) 37.537 8.428 ( 3.781 0.000 6.129) 7.202 8.486 ( -1.070 0.000 4.659) 4.780 8.624 ( 0.650 0.000 -0.896) 1.107 8.630 ( 4.693 0.000 4.999) 6.857 8.730 ( 3.112 0.000 7.285) 7.922 9.095 ( -2.046 0.000 -6.504) 6.819 9.096 ( 0.634 0.000 -1.537) 1.662 9.244 ( -1.310 0.000 -5.858) 6.002 9.353 ( 1.019 0.000 8.914) 8.972 9.763 ( 4.762 0.000 6.161) 7.787 10.158 ( 2.521 0.000 -5.798) 6.322 10.409 ( -4.230 0.000 12.607) 13.297 10.578 ( -2.923 0.000 -15.854) 16.121 10.848 ( -3.872 0.000 -0.048) 3.873 10.986 ( 3.408 0.000 -1.478) 3.715 11.059 ( 1.524 0.000 -7.118) 7.279 11.424 ( -8.129 0.000 4.600) 9.340 11.547 ( -3.539 0.000 -0.016) 3.540 11.550 ( 4.917 0.000 1.883) 5.265 11.623 ( 2.465 0.000 4.643) 5.257 11.656 ( 1.233 0.000 -0.147) 1.242 11.805 ( 0.030 0.000 -2.595) 2.595 12.181 ( -6.821 0.000 6.678) 9.546 12.300 ( 5.616 0.000 -1.831) 5.907 12.723 ( -11.465 0.000 -17.730) 21.114 12.876 ( -2.565 0.000 -16.508) 16.706 13.169 ( -6.731 0.000 -2.080) 7.045 13.478 ( -0.215 0.000 6.160) 6.164 13.844 ( -5.016 0.000 -1.992) 5.397 13.917 ( -6.887 0.000 -4.703) 8.340 14.087 ( 4.821 0.000 -1.808) 5.149 14.175 ( 5.864 0.000 -6.142) 8.492 14.502 ( -0.181 0.000 7.626) 7.628 14.578 ( -0.535 0.000 3.939) 3.975 14.721 ( -10.818 0.000 18.935) 21.807 15.235 ( 4.252 0.000 2.046) 4.718 15.764 ( -15.342 0.000 15.057) 21.496 15.860 ( -7.170 0.000 9.915) 12.235 21.085 ( 21.802 0.000 2.008) 21.895 21.527 ( 41.394 0.000 -19.211) 45.635 22.758 ( -1.220 0.000 1.747) 2.131 22.869 ( -4.519 0.000 0.998) 4.628 23.175 ( 4.524 0.000 3.671) 5.826 23.482 ( -0.873 0.000 1.162) 1.453 23.567 ( 0.058 0.000 0.124) 0.137 23.572 ( 0.313 0.000 0.057) 0.319 23.576 ( 13.907 0.000 -9.046) 16.590 23.613 ( -0.094 0.000 0.962) 0.967 23.664 ( 2.210 0.000 -3.023) 3.745 23.691 ( -0.795 0.000 -1.283) 1.509 25.554 ( -1.455 0.000 -1.493) 2.084 25.727 ( -0.840 0.000 -5.750) 5.811 26.308 ( -0.948 0.000 1.502) 1.776 26.508 ( -2.304 0.000 -3.848) 4.485 26.810 ( 7.250 0.000 1.803) 7.471 26.950 ( 2.857 0.000 -1.560) 3.255 28.192 ( -4.384 0.000 3.267) 5.467 28.439 ( -9.942 0.000 -2.995) 10.384 ======================= Grid point 128 (43/80) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 14.519 0.000 11.157) 18.311 1.725 ( 19.795 0.000 22.176) 29.725 1.834 ( 11.819 0.000 2.199) 12.022 2.226 ( 5.231 0.000 -2.737) 5.904 2.673 ( 0.989 0.000 7.002) 7.072 2.845 ( -13.714 0.000 -7.176) 15.478 3.002 ( 5.665 0.000 -0.089) 5.665 3.188 ( 2.470 0.000 0.454) 2.511 3.388 ( -8.211 0.000 -0.468) 8.224 3.405 ( -1.834 0.000 1.004) 2.090 3.610 ( 3.143 0.000 1.785) 3.615 3.760 ( -0.521 0.000 -3.373) 3.413 3.867 ( -7.040 0.000 -2.781) 7.569 4.089 ( -6.595 0.000 -14.666) 16.081 4.259 ( 2.913 0.000 -3.308) 4.407 4.633 ( -3.795 0.000 -2.712) 4.665 4.900 ( -12.717 0.000 -3.270) 13.130 4.928 ( 11.032 0.000 7.722) 13.466 5.129 ( 12.865 0.000 2.342) 13.076 5.262 ( -14.966 0.000 -16.545) 22.310 5.451 ( 13.077 0.000 -8.371) 15.527 5.740 ( 0.793 0.000 -13.806) 13.829 5.899 ( -20.874 0.000 4.581) 21.370 5.973 ( -7.493 0.000 6.991) 10.248 6.117 ( -13.282 0.000 -0.442) 13.289 6.344 ( -13.109 0.000 -1.299) 13.173 6.828 ( 3.409 0.000 -1.125) 3.590 6.892 ( 3.300 0.000 2.964) 4.436 6.983 ( 0.965 0.000 1.340) 1.651 7.163 ( -7.455 0.000 -3.608) 8.282 7.318 ( 14.972 0.000 2.850) 15.241 7.351 ( 1.917 0.000 3.357) 3.866 7.392 ( 5.101 0.000 8.514) 9.925 7.426 ( -1.069 0.000 1.117) 1.546 7.526 ( 3.085 0.000 1.291) 3.344 7.604 ( -2.011 0.000 10.489) 10.680 7.647 ( -0.507 0.000 -0.709) 0.872 8.337 ( -4.208 0.000 -2.001) 4.659 8.510 ( 4.259 0.000 1.403) 4.484 8.594 ( 4.940 0.000 -5.538) 7.421 8.628 ( -0.141 0.000 -1.935) 1.940 8.731 ( 1.657 0.000 -5.520) 5.764 8.821 ( 5.903 0.000 8.211) 10.113 9.029 ( 6.883 0.000 11.231) 13.172 9.089 ( -1.667 0.000 1.892) 2.522 9.235 ( 8.691 0.000 -13.294) 15.883 9.578 ( 14.203 0.000 -4.945) 15.039 9.900 ( 9.231 0.000 1.439) 9.342 10.219 ( 3.158 0.000 -5.078) 5.980 10.263 ( -10.288 0.000 -9.802) 14.210 10.532 ( -1.126 0.000 -1.656) 2.002 10.775 ( -3.183 0.000 3.761) 4.928 11.026 ( -1.094 0.000 2.066) 2.338 11.061 ( -2.939 0.000 -6.845) 7.449 11.266 ( -5.838 0.000 2.534) 6.364 11.461 ( -5.184 0.000 -1.220) 5.326 11.650 ( 4.130 0.000 2.168) 4.664 11.685 ( 1.787 0.000 -0.338) 1.819 11.694 ( 6.164 0.000 4.563) 7.669 11.793 ( -1.202 0.000 -1.570) 1.977 12.036 ( -7.800 0.000 -0.929) 7.855 12.356 ( -21.673 0.000 -7.805) 23.035 12.429 ( 7.388 0.000 -5.092) 8.973 12.805 ( -4.708 0.000 -14.537) 15.281 13.160 ( 4.369 0.000 2.826) 5.203 13.472 ( -0.539 0.000 4.846) 4.876 13.740 ( -6.060 0.000 1.513) 6.246 13.771 ( -6.984 0.000 -1.615) 7.168 14.156 ( 3.093 0.000 0.391) 3.117 14.296 ( 3.865 0.000 -7.557) 8.488 14.501 ( 0.261 0.000 6.779) 6.784 14.561 ( -1.129 0.000 4.084) 4.237 14.644 ( 3.045 0.000 14.270) 14.592 15.199 ( -7.870 0.000 3.977) 8.818 15.593 ( 0.110 0.000 18.925) 18.925 15.807 ( -2.213 0.000 9.824) 10.070 21.600 ( 29.014 0.000 3.771) 29.258 22.090 ( 18.286 0.000 -12.188) 21.975 22.715 ( -3.513 0.000 0.733) 3.588 22.763 ( -6.099 0.000 0.920) 6.168 23.270 ( 4.770 0.000 4.217) 6.367 23.447 ( -2.516 0.000 2.446) 3.509 23.570 ( 0.210 0.000 0.247) 0.325 23.578 ( 0.252 0.000 0.232) 0.343 23.613 ( 0.179 0.000 0.461) 0.494 23.671 ( -1.283 0.000 -1.034) 1.647 23.713 ( 5.047 0.000 -1.787) 5.355 23.871 ( 11.549 0.000 -11.908) 16.589 25.533 ( -0.244 0.000 -7.455) 7.459 25.696 ( -2.498 0.000 -7.921) 8.305 26.294 ( -0.418 0.000 -0.314) 0.522 26.431 ( -4.999 0.000 -3.532) 6.121 26.977 ( 8.961 0.000 -2.363) 9.267 27.024 ( 4.708 0.000 -1.700) 5.006 28.081 ( -6.654 0.000 2.017) 6.953 28.209 ( -12.753 0.000 0.279) 12.756 ======================= Grid point 129 (44/80) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 13.831 0.000 2.820) 14.116 2.078 ( 6.808 0.000 5.402) 8.691 2.160 ( 22.886 0.000 10.536) 25.195 2.240 ( 3.343 0.000 -8.741) 9.358 2.524 ( -14.090 0.000 2.040) 14.236 2.528 ( -18.414 0.000 -4.509) 18.958 3.101 ( 3.578 0.000 -2.471) 4.349 3.218 ( -8.859 0.000 -3.493) 9.522 3.284 ( 6.185 0.000 1.638) 6.399 3.372 ( -2.578 0.000 0.876) 2.723 3.667 ( 3.132 0.000 1.450) 3.451 3.746 ( -5.321 0.000 0.073) 5.322 3.926 ( 14.223 0.000 -4.702) 14.980 4.047 ( 0.602 0.000 -13.994) 14.007 4.296 ( 2.086 0.000 4.031) 4.539 4.485 ( -14.568 0.000 5.871) 15.707 4.763 ( 3.183 0.000 -6.537) 7.271 4.935 ( -12.970 0.000 -11.380) 17.255 5.175 ( 14.908 0.000 7.619) 16.742 5.482 ( 17.251 0.000 -4.704) 17.881 5.499 ( -18.412 0.000 5.992) 19.363 5.725 ( -3.359 0.000 -8.762) 9.384 5.744 ( 15.251 0.000 -6.685) 16.652 5.809 ( -6.898 0.000 1.176) 6.997 5.878 ( -10.516 0.000 -0.083) 10.517 6.055 ( -16.347 0.000 -5.405) 17.218 6.909 ( 5.192 0.000 -2.902) 5.948 6.948 ( 2.399 0.000 3.626) 4.348 6.981 ( -0.993 0.000 3.768) 3.897 7.025 ( -6.810 0.000 -4.013) 7.905 7.382 ( 1.343 0.000 2.947) 3.239 7.405 ( -1.136 0.000 2.241) 2.512 7.474 ( 3.557 0.000 8.862) 9.549 7.527 ( -1.056 0.000 5.567) 5.667 7.583 ( 2.632 0.000 2.302) 3.497 7.625 ( -1.723 0.000 1.978) 2.623 7.689 ( 18.443 0.000 7.950) 20.083 8.081 ( -19.937 0.000 3.166) 20.187 8.579 ( 2.832 0.000 -1.224) 3.086 8.609 ( 0.406 0.000 2.692) 2.723 8.617 ( -1.195 0.000 -2.008) 2.336 8.645 ( -3.485 0.000 -1.918) 3.978 8.935 ( 5.711 0.000 7.021) 9.050 9.031 ( -4.165 0.000 4.897) 6.429 9.325 ( 13.997 0.000 5.240) 14.946 9.451 ( 5.525 0.000 -12.830) 13.969 9.786 ( 10.317 0.000 -11.810) 15.682 10.044 ( -13.129 0.000 -27.368) 30.354 10.091 ( 9.756 0.000 -3.224) 10.275 10.229 ( -3.470 0.000 -5.915) 6.858 10.614 ( 11.679 0.000 1.112) 11.732 10.769 ( 3.714 0.000 8.987) 9.724 10.897 ( -14.020 0.000 -4.780) 14.813 10.906 ( -9.024 0.000 9.227) 12.906 11.263 ( 3.806 0.000 -2.667) 4.647 11.357 ( -5.467 0.000 -2.383) 5.963 11.723 ( 2.105 0.000 -0.738) 2.231 11.743 ( 6.338 0.000 1.079) 6.429 11.762 ( -1.949 0.000 -1.117) 2.246 11.831 ( 7.207 0.000 2.311) 7.569 11.888 ( -7.249 0.000 -2.249) 7.589 12.020 ( -12.803 0.000 -0.735) 12.824 12.570 ( 7.181 0.000 -8.436) 11.078 12.700 ( -6.232 0.000 -11.681) 13.239 13.285 ( 7.934 0.000 0.624) 7.958 13.426 ( -5.404 0.000 0.738) 5.454 13.645 ( -1.864 0.000 2.686) 3.269 13.672 ( -3.677 0.000 3.504) 5.079 14.222 ( 3.843 0.000 0.755) 3.917 14.292 ( -2.956 0.000 -1.982) 3.559 14.513 ( 0.984 0.000 5.640) 5.726 14.537 ( -1.362 0.000 4.640) 4.836 14.794 ( 10.685 0.000 7.097) 12.827 15.007 ( -11.090 0.000 6.176) 12.694 15.662 ( 5.083 0.000 13.943) 14.841 15.751 ( -3.829 0.000 11.870) 12.472 22.092 ( 20.230 0.000 2.468) 20.380 22.286 ( 1.499 0.000 -3.301) 3.625 22.632 ( -3.517 0.000 1.181) 3.710 22.654 ( -4.673 0.000 0.909) 4.760 23.344 ( 2.936 0.000 3.620) 4.661 23.395 ( -2.705 0.000 2.941) 3.996 23.575 ( 0.283 0.000 0.402) 0.491 23.579 ( -0.147 0.000 0.468) 0.491 23.623 ( 0.902 0.000 -0.235) 0.932 23.645 ( -1.322 0.000 -0.691) 1.491 23.848 ( 8.227 0.000 -1.040) 8.293 23.963 ( -1.888 0.000 -4.272) 4.671 25.559 ( 2.927 0.000 -11.942) 12.295 25.631 ( -4.054 0.000 -11.043) 11.763 26.298 ( 1.038 0.000 -1.987) 2.242 26.342 ( -3.722 0.000 -3.089) 4.837 27.109 ( 3.904 0.000 -2.861) 4.840 27.113 ( 3.610 0.000 -1.262) 3.824 27.973 ( -3.260 0.000 1.144) 3.455 28.005 ( -7.043 0.000 1.216) 7.147 ======================= Grid point 133 (45/80) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 0.000 5.270 30.786) 31.234 1.609 ( 0.000 17.665 24.315) 30.055 1.856 ( 0.000 20.520 9.000) 22.407 2.127 ( 0.000 22.444 0.658) 22.453 2.593 ( 0.000 38.723 32.682) 50.671 3.201 ( 0.000 -3.648 -12.772) 13.282 3.266 ( 0.000 10.002 -5.357) 11.346 3.380 ( 0.000 7.979 -22.484) 23.858 3.549 ( 0.000 6.111 -2.000) 6.430 3.597 ( 0.000 11.398 -7.524) 13.657 3.759 ( 0.000 11.139 3.361) 11.635 3.882 ( 0.000 11.286 6.581) 13.065 4.126 ( 0.000 5.162 -3.512) 6.243 4.232 ( 0.000 -2.965 -12.003) 12.364 4.328 ( 0.000 2.618 -4.023) 4.799 4.639 ( 0.000 0.715 -8.369) 8.399 4.740 ( 0.000 6.301 2.046) 6.625 4.927 ( 0.000 -0.195 4.552) 4.556 5.201 ( 0.000 -0.513 -1.702) 1.777 5.252 ( 0.000 4.902 -11.432) 12.438 5.593 ( 0.000 4.032 -13.949) 14.520 5.761 ( 0.000 -3.087 -17.367) 17.639 5.936 ( 0.000 -6.643 11.830) 13.567 6.360 ( 0.000 -11.923 -8.030) 14.375 6.455 ( 0.000 -9.477 8.917) 13.013 6.603 ( 0.000 -1.552 12.274) 12.371 6.748 ( 0.000 -0.634 2.867) 2.936 6.832 ( 0.000 3.716 10.180) 10.837 6.957 ( 0.000 9.546 -3.667) 10.227 7.071 ( 0.000 -0.900 5.028) 5.108 7.098 ( 0.000 -13.460 4.381) 14.155 7.330 ( 0.000 -2.342 -2.287) 3.274 7.347 ( 0.000 4.461 1.841) 4.826 7.439 ( 0.000 1.560 0.911) 1.807 7.484 ( 0.000 8.661 -0.294) 8.666 7.551 ( 0.000 2.040 -6.716) 7.019 7.709 ( 0.000 11.793 -4.320) 12.559 7.894 ( 0.000 13.890 0.323) 13.893 8.452 ( 0.000 7.860 8.076) 11.269 8.464 ( 0.000 -4.614 9.890) 10.913 8.561 ( 0.000 1.809 2.462) 3.055 8.779 ( 0.000 7.899 7.917) 11.184 8.907 ( 0.000 19.637 -13.429) 23.790 9.098 ( 0.000 -0.164 -6.288) 6.290 9.126 ( 0.000 2.901 -8.360) 8.849 9.168 ( 0.000 3.040 -3.396) 4.558 9.413 ( 0.000 -2.828 10.895) 11.256 9.703 ( 0.000 -1.513 8.079) 8.220 10.078 ( 0.000 -11.171 -9.086) 14.400 10.394 ( 0.000 -10.710 -7.933) 13.328 10.413 ( 0.000 -2.064 15.250) 15.389 10.894 ( 0.000 -1.462 -5.068) 5.275 10.943 ( 0.000 2.179 -3.460) 4.089 11.057 ( 0.000 -3.495 -1.935) 3.995 11.259 ( 0.000 -15.509 2.790) 15.758 11.401 ( 0.000 -12.298 3.408) 12.761 11.470 ( 0.000 -4.767 3.849) 6.127 11.692 ( 0.000 4.811 -4.187) 6.378 11.867 ( 0.000 11.032 -1.158) 11.093 11.994 ( 0.000 6.698 -2.442) 7.129 12.034 ( 0.000 -11.287 -2.882) 11.649 12.201 ( 0.000 -4.209 4.116) 5.887 12.813 ( 0.000 1.760 -17.541) 17.629 12.837 ( 0.000 -2.096 -7.156) 7.457 13.281 ( 0.000 -0.152 -13.158) 13.159 13.526 ( 0.000 3.583 4.515) 5.764 13.959 ( 0.000 -5.550 -0.066) 5.550 14.014 ( 0.000 -3.952 -0.542) 3.989 14.086 ( 0.000 13.174 -8.930) 15.915 14.122 ( 0.000 8.904 -2.635) 9.285 14.592 ( 0.000 9.542 6.633) 11.621 14.645 ( 0.000 1.174 3.827) 4.003 14.901 ( 0.000 1.878 12.616) 12.755 15.127 ( 0.000 -0.561 6.569) 6.593 15.820 ( 0.000 -2.177 5.613) 6.020 16.069 ( 0.000 -7.074 1.779) 7.295 20.863 ( 0.000 0.062 0.514) 0.517 20.911 ( 0.000 -0.279 -0.895) 0.938 22.747 ( 0.000 -1.855 4.570) 4.932 22.889 ( 0.000 -3.084 1.796) 3.568 23.019 ( 0.000 -19.249 8.091) 20.880 23.075 ( 0.000 -4.102 0.486) 4.131 23.485 ( 0.000 -0.469 1.678) 1.742 23.595 ( 0.000 1.847 -0.222) 1.861 23.629 ( 0.000 4.022 -0.668) 4.077 23.644 ( 0.000 -0.385 -2.809) 2.836 23.727 ( 0.000 3.269 0.001) 3.269 23.920 ( 0.000 11.994 -8.377) 14.630 25.763 ( 0.000 15.043 -7.219) 16.685 25.784 ( 0.000 5.057 -4.039) 6.472 26.354 ( 0.000 3.374 2.360) 4.117 26.587 ( 0.000 6.076 -4.435) 7.523 26.816 ( 0.000 8.573 2.513) 8.933 26.962 ( 0.000 4.259 -0.424) 4.280 28.231 ( 0.000 -0.459 3.349) 3.380 28.466 ( 0.000 -7.036 -2.357) 7.420 ======================= Grid point 134 (46/80) ======================= q-point: ( 0.14 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 2.913 8.373 26.282) 27.736 1.748 ( 9.655 20.430 21.238) 31.010 1.915 ( 5.335 18.905 10.196) 22.132 2.149 ( 4.785 17.523 -1.597) 18.234 2.748 ( 10.312 27.975 20.216) 36.022 3.028 ( -10.281 -0.575 -8.722) 13.494 3.220 ( -4.767 11.363 -2.852) 12.649 3.397 ( -2.140 -1.203 -13.840) 14.056 3.421 ( -4.790 16.780 -3.900) 17.880 3.729 ( 5.376 13.285 -3.641) 14.787 3.737 ( -1.713 17.306 2.761) 17.608 3.824 ( -4.309 7.580 1.472) 8.842 4.025 ( -5.901 -0.075 -3.051) 6.644 4.199 ( -5.090 -0.293 -11.794) 12.848 4.308 ( -3.483 6.771 -3.627) 8.434 4.644 ( -0.362 -1.822 -5.456) 5.764 4.782 ( 5.361 1.889 0.671) 5.724 4.925 ( 2.071 0.627 4.582) 5.067 5.103 ( -7.385 0.022 -5.963) 9.492 5.313 ( 4.883 2.850 -8.910) 10.552 5.545 ( -10.699 -0.726 -10.692) 15.143 5.706 ( -0.254 1.048 -12.090) 12.138 5.944 ( -1.070 -8.253 5.677) 10.074 6.196 ( -14.458 -7.691 -1.720) 16.466 6.323 ( -10.402 -5.666 6.085) 13.317 6.560 ( -3.918 1.635 6.036) 7.379 6.761 ( 2.004 -0.895 4.929) 5.396 6.912 ( 2.530 -0.325 1.995) 3.239 6.930 ( -2.739 3.773 -0.861) 4.741 7.078 ( 4.803 -2.469 4.677) 7.144 7.168 ( 4.303 -9.379 8.575) 13.417 7.261 ( -3.360 2.360 -1.049) 4.238 7.409 ( 0.240 3.391 -1.021) 3.550 7.467 ( 0.862 5.060 0.249) 5.139 7.512 ( 0.397 1.814 -4.313) 4.696 7.687 ( 9.690 6.909 2.263) 12.114 7.811 ( 9.028 8.495 -6.888) 14.182 7.955 ( 11.480 3.598 -0.235) 12.033 8.439 ( -0.965 3.055 9.275) 9.812 8.528 ( 4.200 -0.630 7.560) 8.671 8.582 ( 3.097 2.714 -1.084) 4.259 8.814 ( 3.528 6.341 6.767) 9.922 8.909 ( -0.942 18.113 -13.411) 22.558 9.060 ( -2.923 -2.423 -4.717) 6.055 9.125 ( 0.998 3.838 -0.614) 4.013 9.261 ( 1.851 4.377 -6.946) 8.416 9.350 ( 1.694 -0.428 6.630) 6.856 9.739 ( 4.159 -2.749 5.965) 7.774 10.063 ( -1.640 -13.310 -7.626) 15.428 10.376 ( -1.772 -6.922 -9.040) 11.523 10.421 ( 0.415 -2.603 14.118) 14.362 10.861 ( -2.505 0.009 -2.342) 3.429 11.001 ( 3.935 0.911 -6.208) 7.406 11.054 ( -0.151 -2.928 -0.969) 3.088 11.288 ( 1.869 -15.479 2.726) 15.828 11.391 ( -5.444 -4.988 3.359) 8.111 11.425 ( 1.856 -11.752 4.639) 12.770 11.645 ( -4.538 4.417 -5.277) 8.243 11.887 ( 1.453 10.406 -0.889) 10.544 11.984 ( -0.879 7.678 -1.985) 7.979 12.050 ( -0.147 -11.015 -1.564) 11.126 12.195 ( 0.930 -4.311 -0.573) 4.447 12.750 ( -4.595 -3.161 -16.840) 17.739 12.806 ( -6.778 2.513 -11.699) 13.752 13.236 ( -2.943 4.677 -4.471) 7.108 13.524 ( -0.340 4.172 4.927) 6.465 13.873 ( -6.552 -1.274 -0.760) 6.718 13.945 ( -7.535 1.167 -1.285) 7.733 14.118 ( 1.155 2.882 0.064) 3.106 14.192 ( 8.194 5.593 -7.279) 12.305 14.566 ( -2.679 3.421 7.122) 8.343 14.584 ( -5.077 3.217 7.849) 9.886 14.820 ( -2.357 10.056 11.782) 15.668 15.232 ( 5.568 -0.504 2.230) 6.019 15.737 ( -16.688 -2.482 15.801) 23.116 15.826 ( -5.543 -3.180 8.863) 10.926 21.087 ( 21.877 0.176 1.713) 21.945 21.472 ( 41.275 -5.349 -16.187) 44.657 22.740 ( -0.891 -1.717 2.241) 2.960 22.845 ( -4.219 -2.736 1.764) 5.329 23.088 ( 6.737 -16.607 4.661) 18.518 23.130 ( 5.181 -9.434 2.800) 11.121 23.473 ( -0.984 -1.037 2.221) 2.642 23.593 ( -0.256 1.591 -0.282) 1.636 23.629 ( 0.380 2.994 -0.845) 3.134 23.662 ( 1.739 0.343 -2.338) 2.934 23.725 ( -0.198 3.744 0.270) 3.759 23.936 ( 1.620 10.447 -8.530) 13.583 25.725 ( -3.269 13.864 -6.621) 15.708 25.780 ( -0.698 5.589 -4.863) 7.441 26.336 ( -1.357 2.882 1.760) 3.639 26.554 ( -3.671 4.309 -3.852) 6.847 26.888 ( 6.886 8.203 -0.202) 10.712 26.990 ( 2.752 4.131 -1.230) 5.114 28.187 ( -4.525 -0.588 2.833) 5.371 28.375 ( -8.900 -6.003 -0.844) 10.768 ======================= Grid point 135 (47/80) ======================= q-point: ( 0.29 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 14.425 5.328 13.711) 20.602 1.976 ( 14.082 24.819 11.975) 30.947 2.053 ( 8.620 15.613 10.679) 20.788 2.293 ( 8.304 10.497 -7.527) 15.356 2.767 ( -4.896 5.498 -6.786) 10.013 2.970 ( -2.510 8.097 2.656) 8.883 3.098 ( -6.610 16.388 -0.817) 17.689 3.277 ( -5.398 -1.620 1.418) 5.812 3.495 ( 8.832 20.170 -5.408) 22.673 3.683 ( -6.657 18.096 0.341) 19.284 3.709 ( -0.457 11.737 2.891) 12.096 3.822 ( 2.519 14.406 -0.415) 14.631 3.950 ( -3.756 3.009 -2.107) 5.254 4.071 ( -5.319 -1.296 -13.950) 14.986 4.261 ( 0.547 4.396 -0.668) 4.480 4.591 ( -4.141 -3.208 -0.831) 5.304 4.851 ( -5.724 -2.280 -3.708) 7.191 5.029 ( 6.467 5.330 4.672) 9.595 5.072 ( 11.640 -3.277 0.635) 12.109 5.222 ( -15.950 -3.208 -12.071) 20.258 5.470 ( 7.959 -0.145 -9.583) 12.458 5.710 ( -1.026 -2.014 -10.318) 10.563 5.817 ( -13.224 -5.583 2.660) 14.599 5.938 ( -9.139 -4.215 4.031) 10.841 6.098 ( -12.932 -1.371 2.114) 13.175 6.410 ( -12.258 5.326 -0.173) 13.366 6.810 ( 2.947 -2.885 1.874) 4.530 6.892 ( -0.408 -2.005 1.375) 2.465 6.940 ( 0.466 -3.540 0.669) 3.632 7.100 ( -6.184 -4.062 0.624) 7.425 7.197 ( 5.084 -8.473 5.748) 11.432 7.356 ( 8.111 1.440 5.742) 10.042 7.425 ( 2.616 3.057 3.145) 5.107 7.483 ( 0.505 3.985 1.430) 4.264 7.522 ( 1.934 6.220 -3.442) 7.368 7.786 ( 3.650 14.430 4.159) 15.454 7.882 ( 1.197 16.082 -0.103) 16.127 8.270 ( 8.958 -7.824 -2.726) 12.202 8.407 ( -0.252 -1.820 6.367) 6.627 8.606 ( 0.871 2.798 -0.359) 2.952 8.622 ( 1.047 -6.384 2.503) 6.936 8.814 ( -3.380 3.342 4.215) 6.353 8.868 ( -3.628 10.396 -7.369) 13.249 9.082 ( 6.452 2.226 3.776) 7.801 9.116 ( 0.218 1.979 0.563) 2.069 9.287 ( 7.837 6.196 -5.125) 11.228 9.585 ( 15.153 2.086 -10.116) 18.339 9.867 ( 8.795 -5.220 1.328) 10.313 10.012 ( -3.103 -14.183 -7.674) 16.421 10.332 ( -3.058 -1.039 -11.902) 12.332 10.418 ( -0.400 -5.156 10.892) 12.058 10.808 ( -2.281 1.195 2.820) 3.819 10.992 ( -5.958 -6.736 -4.895) 10.239 11.058 ( -2.784 2.132 1.949) 4.012 11.241 ( -1.229 -3.748 1.609) 4.260 11.408 ( 4.972 -11.647 2.345) 12.880 11.477 ( 2.635 -8.365 2.166) 9.033 11.547 ( -4.241 0.370 -4.821) 6.431 11.883 ( -2.577 5.431 -1.160) 6.123 11.982 ( -1.292 1.430 -4.580) 4.969 12.001 ( -1.065 6.892 0.745) 7.014 12.259 ( 4.147 -9.962 -7.293) 13.024 12.552 ( -14.887 13.095 -9.350) 21.921 12.666 ( -5.482 -10.045 -14.564) 18.522 13.241 ( 3.585 7.095 3.472) 8.675 13.514 ( -0.720 4.169 4.144) 5.922 13.752 ( -5.489 -1.465 1.694) 5.929 13.784 ( -8.022 2.757 -0.667) 8.509 14.171 ( 3.985 0.333 2.237) 4.582 14.358 ( 8.331 1.074 -5.433) 10.004 14.482 ( -4.970 3.967 6.461) 9.065 14.535 ( -1.142 3.625 5.998) 7.101 14.822 ( 1.909 11.922 8.904) 15.002 15.226 ( -7.253 2.518 5.296) 9.327 15.541 ( -0.201 -5.177 18.682) 19.387 15.772 ( -2.636 -3.392 8.887) 9.871 21.604 ( 29.232 0.505 3.196) 29.410 22.076 ( 20.426 -1.758 -12.678) 24.105 22.705 ( -2.926 -0.907 0.698) 3.142 22.751 ( -5.201 -1.489 1.394) 5.587 23.186 ( 3.613 -7.561 1.627) 8.536 23.260 ( 4.744 -16.663 0.482) 17.332 23.474 ( 2.205 -4.046 3.797) 5.970 23.585 ( -0.541 0.480 -0.151) 0.739 23.645 ( 1.242 2.904 -0.165) 3.162 23.706 ( 1.116 2.368 -0.302) 2.635 23.731 ( 2.860 2.268 -0.708) 3.718 23.973 ( 1.664 4.828 -7.633) 9.184 25.665 ( -2.310 11.913 -8.155) 14.620 25.754 ( -2.087 5.969 -6.713) 9.222 26.315 ( -0.709 2.035 -0.014) 2.155 26.459 ( -5.632 2.758 -3.352) 7.110 27.040 ( 8.110 6.408 -2.936) 10.744 27.062 ( 4.725 3.988 -1.450) 6.351 28.071 ( -7.005 -1.035 1.727) 7.289 28.164 ( -11.910 -4.320 1.136) 12.720 ======================= Grid point 136 (48/80) ======================= q-point: ( 0.43 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 11.002 1.091 0.168) 11.057 2.132 ( -1.802 1.676 -2.292) 3.363 2.291 ( 16.771 20.363 11.388) 28.734 2.465 ( 8.023 18.698 -2.813) 20.540 2.636 ( -7.045 16.019 -0.165) 17.500 2.786 ( -13.402 18.807 -2.624) 23.242 3.081 ( 3.496 0.505 -1.575) 3.868 3.177 ( -5.727 0.261 -0.983) 5.817 3.595 ( 0.740 23.864 0.211) 23.876 3.618 ( 0.017 18.356 -3.821) 18.750 3.738 ( 2.898 8.607 1.861) 9.271 3.820 ( -4.692 8.039 0.081) 9.308 3.958 ( 7.370 3.190 -6.349) 10.237 4.046 ( -0.153 0.613 -11.977) 11.994 4.316 ( 5.354 4.521 7.910) 10.567 4.483 ( -9.101 0.549 5.339) 10.565 4.741 ( 0.664 -1.181 -5.390) 5.557 4.894 ( -13.145 -2.481 -8.161) 15.670 5.234 ( 10.813 4.645 4.452) 12.583 5.345 ( 9.082 -9.012 -0.681) 12.812 5.551 ( -5.090 1.324 0.940) 5.343 5.615 ( 0.756 -7.343 -7.692) 10.661 5.686 ( -1.669 -5.671 -2.146) 6.289 5.818 ( -10.819 -4.845 -2.554) 12.127 5.894 ( 3.188 5.943 -1.854) 6.994 6.127 ( -15.758 5.395 -4.402) 17.228 6.867 ( 3.075 -6.165 0.272) 6.894 6.909 ( 0.850 -5.128 1.220) 5.339 6.932 ( -0.403 -3.734 2.933) 4.766 6.986 ( -4.910 -3.391 0.831) 6.025 7.295 ( 4.709 -5.781 5.237) 9.112 7.369 ( -2.680 -1.077 3.059) 4.207 7.478 ( 0.503 3.571 2.316) 4.286 7.484 ( -0.233 4.413 1.478) 4.659 7.733 ( 17.556 4.496 5.935) 19.070 7.846 ( 2.433 16.780 5.002) 17.678 7.889 ( -0.130 18.470 1.159) 18.507 8.111 ( -18.007 3.760 4.079) 18.842 8.474 ( 2.535 -5.672 0.645) 6.246 8.516 ( -3.178 -3.639 -1.735) 5.134 8.714 ( 4.304 2.462 2.517) 5.561 8.777 ( -2.549 3.797 1.596) 4.843 8.886 ( 6.109 1.761 0.442) 6.373 9.016 ( -6.183 -0.233 3.638) 7.177 9.311 ( 10.685 -2.421 -1.715) 11.089 9.426 ( 1.465 -1.570 -6.921) 7.247 9.813 ( 8.809 1.611 -7.950) 11.975 9.945 ( -2.747 -5.970 -11.303) 13.075 10.069 ( 8.746 -3.579 -5.823) 11.101 10.235 ( -7.426 -1.350 -12.960) 14.998 10.485 ( 10.516 -10.062 3.705) 15.018 10.773 ( -15.825 -9.925 -2.914) 18.905 10.814 ( 3.506 2.211 8.259) 9.241 10.929 ( -7.764 0.611 8.269) 11.359 11.312 ( 6.343 3.702 -2.014) 7.616 11.431 ( -5.133 4.825 -2.869) 7.606 11.511 ( 4.340 -11.047 1.337) 11.944 11.550 ( 0.810 -11.444 0.593) 11.488 11.837 ( -0.255 1.772 -2.682) 3.225 11.893 ( -4.954 0.326 -4.321) 6.582 12.070 ( 5.501 13.410 -2.482) 14.705 12.212 ( -8.999 10.403 -7.042) 15.453 12.442 ( 4.276 -7.149 -7.108) 10.951 12.554 ( -6.243 -11.148 -11.750) 17.358 13.349 ( 6.977 5.894 1.567) 9.267 13.473 ( -4.644 4.501 1.333) 6.604 13.666 ( -2.655 1.168 0.887) 3.033 13.676 ( -2.897 0.832 4.343) 5.286 14.263 ( 5.518 1.664 3.394) 6.688 14.375 ( -5.920 2.769 4.623) 8.005 14.481 ( 3.985 2.660 -2.126) 5.242 14.521 ( -0.813 2.515 3.281) 4.213 14.897 ( 6.160 8.103 8.718) 13.402 15.050 ( -9.343 3.652 9.243) 13.641 15.614 ( 5.344 -4.785 12.379) 14.308 15.708 ( -4.179 -4.187 10.528) 12.076 22.100 ( 20.271 0.853 1.942) 20.382 22.291 ( 1.752 0.557 -3.724) 4.152 22.636 ( -2.909 0.254 1.295) 3.194 22.657 ( -4.197 0.093 1.162) 4.356 23.238 ( 2.100 -8.491 0.646) 8.770 23.274 ( -1.527 -9.909 -0.365) 10.032 23.536 ( 2.781 -4.221 2.102) 5.474 23.571 ( -1.103 -1.327 0.524) 1.804 23.674 ( 1.563 3.446 0.934) 3.898 23.698 ( -0.950 4.271 1.139) 4.521 23.843 ( 7.365 -0.574 -1.226) 7.489 23.961 ( -3.736 -0.472 -3.553) 5.178 25.654 ( 1.282 9.367 -10.452) 14.094 25.702 ( -3.109 7.222 -9.503) 12.334 26.315 ( 1.011 1.662 -1.733) 2.605 26.362 ( -4.005 1.903 -2.890) 5.293 27.153 ( 3.865 4.376 -1.572) 6.046 27.162 ( 3.535 5.137 -2.283) 6.640 27.954 ( -3.897 -1.980 1.059) 4.498 27.974 ( -6.444 -3.134 1.418) 7.304 ======================= Grid point 140 (49/80) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 11.459 19.453) 22.577 1.894 ( 0.000 14.924 20.123) 25.053 2.379 ( 0.000 28.264 1.033) 28.282 2.583 ( 0.000 21.742 5.528) 22.434 2.987 ( 0.000 -3.608 -9.610) 10.265 3.211 ( 0.000 -6.650 -17.464) 18.688 3.484 ( 0.000 3.537 -7.049) 7.887 3.527 ( 0.000 23.203 12.915) 26.555 3.603 ( 0.000 14.336 8.682) 16.760 3.776 ( 0.000 1.840 -10.227) 10.391 4.013 ( 0.000 15.328 -11.677) 19.269 4.233 ( 0.000 -0.586 -10.496) 10.512 4.270 ( 0.000 12.711 -2.376) 12.931 4.362 ( 0.000 19.599 2.806) 19.798 4.387 ( 0.000 11.858 -1.021) 11.902 4.691 ( 0.000 4.574 1.495) 4.812 4.918 ( 0.000 -0.987 4.305) 4.417 4.957 ( 0.000 14.520 -4.361) 15.161 5.199 ( 0.000 1.045 0.826) 1.332 5.302 ( 0.000 4.162 -9.507) 10.378 5.711 ( 0.000 -0.884 -8.721) 8.766 5.718 ( 0.000 3.506 -6.655) 7.522 5.835 ( 0.000 0.215 3.640) 3.646 6.169 ( 0.000 -7.959 -7.574) 10.986 6.222 ( 0.000 -12.533 16.957) 21.086 6.590 ( 0.000 0.116 4.662) 4.663 6.658 ( 0.000 -9.422 4.884) 10.613 6.827 ( 0.000 -8.889 2.684) 9.286 6.905 ( 0.000 3.710 10.977) 11.587 7.066 ( 0.000 -0.043 4.315) 4.315 7.115 ( 0.000 0.237 0.084) 0.251 7.291 ( 0.000 0.201 -2.449) 2.457 7.441 ( 0.000 4.613 -6.265) 7.780 7.485 ( 0.000 1.636 -1.249) 2.059 7.602 ( 0.000 4.791 -0.948) 4.884 7.699 ( 0.000 13.565 -2.102) 13.727 7.917 ( 0.000 9.695 -0.010) 9.695 8.141 ( 0.000 11.395 -5.045) 12.461 8.385 ( 0.000 -3.505 11.531) 12.052 8.567 ( 0.000 -0.879 -0.695) 1.121 8.719 ( 0.000 18.013 6.482) 19.143 8.911 ( 0.000 2.090 -0.149) 2.095 9.019 ( 0.000 5.323 1.315) 5.483 9.099 ( 0.000 2.192 -8.634) 8.908 9.253 ( 0.000 -0.210 8.580) 8.583 9.372 ( 0.000 4.753 1.109) 4.881 9.459 ( 0.000 13.441 -18.179) 22.608 9.665 ( 0.000 -2.518 7.804) 8.200 9.762 ( 0.000 -9.170 -11.759) 14.911 10.308 ( 0.000 -4.121 -5.941) 7.231 10.389 ( 0.000 -0.402 13.493) 13.499 10.846 ( 0.000 -5.673 -6.638) 8.732 10.891 ( 0.000 -13.963 -1.093) 14.005 10.947 ( 0.000 -5.172 1.472) 5.377 11.015 ( 0.000 -4.411 0.325) 4.423 11.172 ( 0.000 -11.002 1.406) 11.092 11.331 ( 0.000 -9.440 0.360) 9.447 11.520 ( 0.000 -30.179 -4.732) 30.547 11.754 ( 0.000 2.266 -4.058) 4.648 11.917 ( 0.000 -1.590 0.601) 1.699 12.186 ( 0.000 0.046 -9.517) 9.517 12.269 ( 0.000 8.817 -5.954) 10.639 12.866 ( 0.000 3.859 -16.715) 17.154 12.935 ( 0.000 11.748 4.767) 12.678 13.273 ( 0.000 -0.638 -11.901) 11.919 13.588 ( 0.000 2.644 0.523) 2.695 13.843 ( 0.000 -5.662 4.617) 7.306 13.886 ( 0.000 -6.940 -2.494) 7.375 14.275 ( 0.000 5.023 4.114) 6.493 14.391 ( 0.000 16.896 -3.953) 17.352 14.538 ( 0.000 -8.784 8.824) 12.451 14.853 ( 0.000 16.117 1.114) 16.155 15.038 ( 0.000 9.210 8.294) 12.394 15.104 ( 0.000 -1.979 6.624) 6.913 15.765 ( 0.000 -3.219 6.251) 7.031 15.941 ( 0.000 -5.817 5.170) 7.783 20.866 ( 0.000 0.246 0.317) 0.401 20.904 ( 0.000 -0.486 -0.781) 0.920 22.699 ( 0.000 -4.571 9.398) 10.451 22.794 ( 0.000 -6.553 1.335) 6.688 22.797 ( 0.000 -3.271 1.743) 3.707 23.013 ( 0.000 -2.278 -1.222) 2.585 23.486 ( 0.000 0.522 1.360) 1.456 23.620 ( 0.000 -0.214 -1.373) 1.390 23.640 ( 0.000 0.632 -0.968) 1.156 23.672 ( 0.000 0.741 -1.807) 1.953 23.824 ( 0.000 6.124 1.310) 6.262 24.038 ( 0.000 2.192 -6.258) 6.630 25.907 ( 0.000 7.235 -2.163) 7.551 25.992 ( 0.000 8.339 -8.539) 11.936 26.446 ( 0.000 6.221 2.429) 6.678 26.690 ( 0.000 4.096 -2.759) 4.938 27.050 ( 0.000 14.031 -3.850) 14.549 27.077 ( 0.000 7.556 0.362) 7.564 28.215 ( 0.000 -1.277 2.139) 2.491 28.319 ( 0.000 -7.672 1.464) 7.810 ======================= Grid point 141 (50/80) ======================= q-point: ( 0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 3.764 13.643 15.922) 21.303 1.974 ( 7.389 9.298 18.508) 21.990 2.398 ( 2.206 26.387 -0.029) 26.479 2.610 ( 3.241 23.088 3.580) 23.587 2.855 ( -10.084 -3.086 -9.713) 14.337 3.195 ( -3.485 -6.509 -9.505) 12.036 3.316 ( -6.828 5.920 -5.016) 10.336 3.624 ( 1.596 19.575 7.133) 20.895 3.679 ( 5.149 11.380 2.088) 12.664 3.813 ( 3.559 8.076 -8.156) 12.017 3.979 ( -2.417 8.505 -5.099) 10.207 4.177 ( -3.398 10.805 -11.042) 15.819 4.264 ( -6.098 18.357 2.141) 19.461 4.300 ( -4.267 14.128 -2.284) 14.934 4.395 ( 3.394 3.194 -0.857) 4.739 4.669 ( -3.171 4.290 0.608) 5.370 4.871 ( -4.280 9.077 -3.086) 10.499 4.949 ( 0.491 1.333 3.339) 3.629 5.154 ( -1.389 6.329 -2.106) 6.813 5.316 ( -0.579 0.737 -6.173) 6.243 5.553 ( -10.145 2.176 -4.598) 11.349 5.763 ( -0.833 0.912 -8.731) 8.818 5.810 ( -3.013 -2.329 3.042) 4.875 6.068 ( -8.938 -4.367 -4.188) 10.793 6.181 ( -3.956 -7.724 12.255) 15.016 6.590 ( -0.047 1.795 2.907) 3.416 6.720 ( 4.445 -8.020 3.881) 9.957 6.737 ( -5.453 -9.592 2.843) 11.394 6.930 ( -3.171 -0.716 2.912) 4.365 7.088 ( 4.330 -1.198 9.467) 10.479 7.162 ( 0.538 6.211 0.478) 6.252 7.332 ( -5.394 -0.539 -1.736) 5.692 7.381 ( 7.650 -1.721 -3.422) 8.555 7.553 ( 4.567 4.513 0.983) 6.495 7.599 ( 0.698 7.453 -0.507) 7.503 7.805 ( 9.832 6.469 -4.667) 12.661 7.967 ( 4.862 9.635 2.277) 11.030 8.144 ( 0.717 10.692 -3.430) 11.252 8.427 ( 3.494 -3.021 10.498) 11.469 8.595 ( 0.056 -0.597 -1.837) 1.933 8.696 ( -0.799 14.609 2.484) 14.840 8.918 ( 0.627 2.283 1.686) 2.906 9.021 ( 0.376 4.652 -0.745) 4.726 9.102 ( -0.649 4.890 -7.866) 9.285 9.266 ( 2.127 1.377 8.501) 8.871 9.309 ( -5.011 4.323 1.201) 6.726 9.505 ( 5.115 8.970 -13.957) 17.362 9.669 ( 0.647 -4.188 6.168) 7.483 9.765 ( 0.731 -5.830 -12.832) 14.113 10.301 ( -0.838 -3.355 -2.567) 4.307 10.384 ( -1.016 -3.081 9.484) 10.023 10.810 ( -3.117 -8.626 0.092) 9.172 10.892 ( 0.464 -9.093 -3.810) 9.870 10.991 ( 1.252 -11.486 2.860) 11.902 11.074 ( 6.459 1.097 -3.205) 7.294 11.188 ( 1.896 -11.565 0.550) 11.732 11.291 ( -2.462 -6.326 2.942) 7.399 11.545 ( 1.962 -29.168 -7.844) 30.268 11.706 ( -4.746 2.471 -5.041) 7.351 11.957 ( 3.824 -1.475 0.566) 4.138 12.142 ( -4.365 -2.007 -10.243) 11.314 12.259 ( -0.822 7.980 -4.352) 9.126 12.759 ( -7.767 5.583 -11.458) 14.926 12.936 ( -3.606 8.944 -7.658) 12.314 13.297 ( 2.738 2.086 -4.791) 5.900 13.604 ( 1.187 3.610 1.320) 4.023 13.787 ( -4.033 -5.047 3.126) 7.177 13.935 ( 2.115 -1.725 0.057) 2.730 14.173 ( -7.819 1.892 6.164) 10.135 14.355 ( -4.287 6.304 -1.442) 7.759 14.540 ( 3.081 2.787 7.298) 8.398 14.821 ( -3.531 14.912 2.016) 15.457 15.015 ( -0.037 8.501 8.625) 12.110 15.210 ( 7.081 -1.627 2.523) 7.691 15.695 ( -16.003 -1.402 12.999) 20.665 15.758 ( -4.779 -3.500 7.623) 9.654 21.094 ( 22.323 0.690 0.892) 22.352 21.351 ( 37.666 -6.686 -9.814) 39.494 22.689 ( -0.784 -4.502 5.326) 7.018 22.764 ( -2.735 -4.676 1.592) 5.646 22.849 ( 5.123 -5.370 4.299) 8.577 23.036 ( 2.084 -3.351 -0.734) 4.014 23.464 ( -2.042 0.161 1.758) 2.700 23.608 ( -1.181 -0.507 -1.355) 1.868 23.653 ( 1.222 0.718 -0.626) 1.549 23.682 ( 1.087 0.758 -1.804) 2.238 23.821 ( -0.357 5.637 1.470) 5.836 24.035 ( -0.450 1.552 -5.794) 6.015 25.904 ( -0.300 7.708 -2.720) 8.179 25.969 ( -2.234 9.829 -7.758) 12.719 26.414 ( -2.775 5.310 2.179) 6.375 26.638 ( -5.051 3.819 -2.589) 6.841 27.091 ( 3.712 10.608 -1.301) 11.314 27.105 ( 3.069 8.918 -3.029) 9.906 28.168 ( -4.875 -1.487 1.790) 5.402 28.245 ( -7.287 -6.899 1.836) 10.201 ======================= Grid point 142 (51/80) ======================= q-point: ( 0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 9.532 13.311 6.230) 17.517 2.133 ( 6.952 1.039 9.316) 11.670 2.486 ( 7.918 24.070 -0.029) 25.339 2.722 ( 8.689 19.838 0.855) 21.674 2.737 ( -0.219 2.906 -6.098) 6.759 3.070 ( -7.064 -4.517 -1.911) 8.600 3.256 ( -2.038 6.743 -8.595) 11.112 3.597 ( -6.940 25.552 6.681) 27.308 3.690 ( 0.782 1.801 -7.605) 7.855 3.907 ( 5.376 6.851 -2.722) 9.124 3.981 ( -0.180 9.139 0.386) 9.149 4.068 ( -6.858 1.424 -11.656) 13.599 4.110 ( -5.161 16.566 2.133) 17.482 4.236 ( -4.629 17.434 -2.672) 18.235 4.466 ( 2.177 9.883 1.871) 10.292 4.589 ( -3.753 7.069 3.254) 8.640 4.833 ( -0.907 2.378 -2.578) 3.622 4.972 ( 4.459 -2.964 -3.282) 6.280 5.185 ( -6.363 1.632 -3.573) 7.478 5.198 ( -0.710 7.946 4.311) 9.068 5.470 ( 2.410 3.669 -5.555) 7.080 5.669 ( -7.083 -1.734 -3.401) 8.046 5.739 ( -4.389 -2.138 -1.927) 5.249 5.879 ( -10.053 -1.550 -3.436) 10.737 6.074 ( -6.828 0.636 6.623) 9.534 6.511 ( -10.694 4.459 0.341) 11.591 6.656 ( -2.373 -13.500 3.621) 14.177 6.778 ( 1.608 -6.485 2.835) 7.258 6.877 ( -0.792 -3.117 -1.998) 3.786 7.048 ( -8.201 -1.267 2.116) 8.564 7.157 ( 2.846 1.560 4.686) 5.700 7.407 ( 8.256 -2.036 6.622) 10.777 7.445 ( 0.868 4.615 -1.640) 4.975 7.613 ( 1.521 8.877 2.930) 9.471 7.666 ( 5.748 8.086 -2.305) 10.185 8.040 ( 10.183 2.860 -3.151) 11.036 8.095 ( 8.777 6.565 1.331) 11.041 8.179 ( 4.143 6.482 0.658) 7.721 8.463 ( -3.666 1.125 7.858) 8.744 8.522 ( -3.744 -2.638 1.512) 4.823 8.665 ( -3.469 8.049 -0.062) 8.765 8.882 ( -4.332 2.390 3.021) 5.797 9.072 ( -1.701 9.599 -6.891) 11.939 9.109 ( 8.678 3.654 -3.509) 10.048 9.204 ( -5.491 7.524 0.834) 9.352 9.367 ( 6.798 0.611 5.457) 8.739 9.639 ( 5.432 -5.030 -1.391) 7.532 9.713 ( 7.212 -6.988 -0.112) 10.043 9.831 ( 7.242 3.244 -17.772) 19.463 10.261 ( -3.711 -4.059 2.289) 5.957 10.337 ( -4.016 -6.604 0.719) 7.763 10.763 ( -1.305 -8.437 6.588) 10.784 10.844 ( -7.175 -7.382 -5.938) 11.884 10.959 ( -4.354 -12.888 6.145) 14.927 11.181 ( 4.488 -1.973 -1.295) 5.070 11.291 ( 5.291 -6.266 1.491) 8.335 11.301 ( 6.732 -1.248 0.492) 6.864 11.582 ( 2.027 -24.843 -11.795) 27.575 11.601 ( -5.178 1.453 -4.928) 7.294 12.018 ( -5.564 -2.137 -4.683) 7.580 12.061 ( 3.882 -4.449 -8.009) 9.950 12.252 ( 0.442 6.920 -2.725) 7.450 12.603 ( -8.300 4.148 -11.845) 15.047 12.780 ( -11.556 9.432 -12.274) 19.317 13.372 ( 4.896 6.026 2.984) 8.318 13.614 ( -0.414 5.322 2.077) 5.728 13.711 ( -3.287 -1.427 3.663) 5.124 13.864 ( -8.296 6.104 1.986) 10.489 14.136 ( 4.245 -3.843 6.693) 8.808 14.330 ( 1.305 -1.297 2.653) 3.228 14.602 ( 2.365 6.980 6.047) 9.533 14.735 ( -4.601 13.208 -1.294) 14.046 15.030 ( 1.043 8.407 7.900) 11.583 15.286 ( -4.785 3.669 4.721) 7.658 15.426 ( -3.063 -5.432 17.452) 18.533 15.697 ( -3.521 -3.985 6.677) 8.536 21.623 ( 29.912 1.629 1.562) 29.997 22.012 ( 26.591 -5.180 -12.508) 29.839 22.672 ( -1.209 -3.867 1.877) 4.466 22.700 ( -3.759 -2.902 1.157) 4.888 22.981 ( 7.749 -8.397 3.426) 11.928 23.080 ( 2.369 -4.653 -0.676) 5.265 23.421 ( -1.767 -1.848 3.322) 4.192 23.576 ( -2.197 -1.598 -0.674) 2.799 23.682 ( 1.796 1.082 -0.093) 2.099 23.723 ( 3.402 0.336 -1.694) 3.816 23.808 ( -1.067 4.178 1.629) 4.610 24.012 ( -2.284 -0.239 -4.429) 4.989 25.891 ( -1.126 9.892 -4.981) 11.132 25.921 ( -2.267 11.651 -6.065) 13.330 26.364 ( -2.046 2.976 0.668) 3.673 26.518 ( -6.875 2.872 -2.664) 7.913 27.169 ( 4.794 7.052 -0.154) 8.529 27.200 ( 5.980 9.539 -4.292) 12.049 28.040 ( -7.932 -2.292 1.244) 8.350 28.066 ( -10.404 -5.410 2.050) 11.904 ======================= Grid point 143 (52/80) ======================= q-point: ( 0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 6.243 7.875 -2.599) 10.380 2.162 ( -2.847 2.922 -4.046) 5.746 2.678 ( 9.359 12.843 1.901) 16.005 2.802 ( -0.137 9.225 2.971) 9.692 2.891 ( 7.336 12.631 -8.092) 16.699 2.991 ( -0.006 6.991 -1.675) 7.189 3.234 ( 3.401 14.975 -0.439) 15.363 3.421 ( -11.227 21.710 8.282) 25.806 3.747 ( 5.956 1.606 -8.203) 10.263 3.894 ( -6.712 4.919 -7.041) 10.900 3.933 ( 0.388 5.313 2.778) 6.007 4.052 ( -2.722 3.931 -2.950) 5.619 4.084 ( -2.260 10.335 -3.004) 10.998 4.127 ( 1.095 15.297 -4.774) 16.062 4.471 ( 0.832 -0.126 -1.949) 2.122 4.539 ( -3.674 7.423 4.383) 9.371 4.819 ( 2.425 11.911 1.489) 12.246 4.944 ( -9.973 9.242 2.643) 13.852 5.183 ( 12.050 -6.436 -1.562) 13.750 5.290 ( 2.188 -0.091 -0.802) 2.332 5.543 ( 3.443 4.223 -2.909) 6.177 5.579 ( -0.183 -0.778 -1.215) 1.455 5.627 ( -7.127 4.521 -2.648) 8.846 5.703 ( -8.399 -6.081 -3.264) 10.871 6.007 ( 3.720 6.118 -0.432) 7.173 6.226 ( -16.166 4.703 -2.073) 16.963 6.664 ( 3.263 -13.324 2.963) 14.034 6.757 ( -4.830 -9.322 1.953) 10.679 6.880 ( 1.628 -1.947 1.795) 3.109 6.928 ( -3.613 -2.088 1.842) 4.562 7.252 ( 6.192 -0.572 2.645) 6.757 7.367 ( -5.259 -0.907 0.023) 5.336 7.577 ( 4.920 6.841 4.974) 9.785 7.624 ( -0.614 9.367 3.135) 9.897 7.842 ( 13.049 6.464 1.356) 14.625 8.076 ( -6.816 5.304 1.333) 8.739 8.193 ( 2.974 11.101 0.074) 11.493 8.274 ( -7.527 10.484 3.401) 13.347 8.374 ( 9.289 -4.568 0.318) 10.357 8.494 ( -3.318 0.530 0.382) 3.382 8.648 ( 4.073 0.042 5.123) 6.545 8.777 ( -6.952 -3.193 1.589) 7.814 9.059 ( 0.697 11.771 -4.429) 12.596 9.106 ( -4.179 10.219 -0.903) 11.078 9.282 ( 8.504 1.201 -2.556) 8.961 9.408 ( -3.590 0.421 -0.404) 3.637 9.761 ( 9.273 -6.496 4.577) 12.212 9.871 ( 2.546 -8.499 2.263) 9.156 10.011 ( 8.685 2.780 -15.310) 17.820 10.169 ( -6.844 -4.739 -8.578) 11.954 10.300 ( 7.059 -8.664 -0.946) 11.215 10.588 ( -17.009 -8.055 -6.317) 19.852 10.788 ( 2.588 -7.088 8.889) 11.659 10.862 ( -4.913 -9.255 9.219) 13.956 11.291 ( 6.222 -5.534 1.186) 8.411 11.350 ( 1.202 -5.296 2.018) 5.793 11.435 ( 4.007 -0.864 1.089) 4.241 11.510 ( -4.582 0.526 -2.156) 5.091 11.667 ( 8.017 -15.412 -14.410) 22.571 11.853 ( -9.972 -7.841 -11.239) 16.948 12.182 ( 7.009 -0.238 -6.913) 9.847 12.270 ( -0.220 5.567 -5.209) 7.627 12.472 ( -3.132 3.575 -10.227) 11.278 12.557 ( -10.109 8.772 -9.579) 16.459 13.479 ( 6.122 7.269 2.972) 9.958 13.581 ( -3.506 6.321 1.641) 7.412 13.677 ( -0.128 1.062 3.048) 3.230 13.721 ( -5.347 3.645 3.113) 7.181 14.247 ( 6.251 -1.545 6.493) 9.144 14.338 ( -2.172 -1.274 6.478) 6.950 14.628 ( 1.548 5.468 5.092) 7.630 14.672 ( -2.387 10.404 -2.553) 10.976 15.052 ( 1.660 7.485 9.140) 11.929 15.124 ( -6.738 5.006 14.126) 16.432 15.506 ( 6.097 -5.677 6.964) 10.858 15.615 ( -5.061 -4.916 6.627) 9.679 22.128 ( 20.356 2.219 0.499) 20.483 22.306 ( 3.580 1.009 -4.852) 6.114 22.630 ( -2.599 -2.017 1.000) 3.438 22.638 ( -2.153 -2.225 0.842) 3.209 23.086 ( 2.956 -6.304 -0.963) 7.029 23.116 ( 0.287 -4.803 -2.192) 5.287 23.437 ( 3.751 -5.906 4.038) 8.078 23.520 ( -3.855 -4.120 1.068) 5.742 23.722 ( 2.379 1.611 0.692) 2.955 23.765 ( -1.573 2.554 1.136) 3.208 23.826 ( 5.408 -1.123 -1.323) 5.680 23.939 ( -5.326 -1.866 -2.564) 6.199 25.874 ( -0.152 12.530 -6.899) 14.305 25.888 ( -1.356 11.930 -6.173) 13.501 26.348 ( 0.747 1.456 -1.178) 2.016 26.401 ( -4.772 1.711 -2.407) 5.612 27.268 ( 4.699 7.480 -0.625) 8.855 27.295 ( 2.655 8.411 -2.447) 9.153 27.894 ( -5.232 -4.708 1.904) 7.291 27.903 ( -5.600 -3.618 0.459) 6.683 ======================= Grid point 147 (53/80) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 0.000 14.661 6.721) 16.128 2.203 ( 0.000 17.043 8.092) 18.866 2.572 ( 0.000 -8.333 -9.119) 12.353 2.778 ( 0.000 -3.428 -2.928) 4.508 3.157 ( 0.000 1.509 3.666) 3.964 3.161 ( 0.000 20.972 3.436) 21.251 3.444 ( 0.000 -4.369 0.655) 4.418 3.615 ( 0.000 11.997 -10.841) 16.170 3.860 ( 0.000 7.360 -18.104) 19.543 4.088 ( 0.000 -8.699 -16.026) 18.235 4.123 ( 0.000 -2.806 -6.530) 7.107 4.143 ( 0.000 9.645 2.469) 9.956 4.475 ( 0.000 11.731 6.919) 13.619 4.598 ( 0.000 6.447 -6.770) 9.348 4.652 ( 0.000 10.599 -2.121) 10.809 4.777 ( 0.000 0.687 2.019) 2.133 4.900 ( 0.000 -0.072 5.138) 5.139 5.115 ( 0.000 -0.343 1.525) 1.563 5.294 ( 0.000 8.786 5.145) 10.181 5.476 ( 0.000 9.303 8.237) 12.426 5.724 ( 0.000 2.031 -3.612) 4.144 5.776 ( 0.000 6.438 -1.363) 6.581 5.897 ( 0.000 3.332 2.912) 4.425 6.068 ( 0.000 -2.090 -5.957) 6.313 6.100 ( 0.000 1.605 5.679) 5.901 6.413 ( 0.000 -14.102 4.980) 14.955 6.623 ( 0.000 3.910 -1.535) 4.201 6.785 ( 0.000 2.126 -0.111) 2.129 6.953 ( 0.000 0.173 10.655) 10.656 7.001 ( 0.000 -9.486 4.035) 10.308 7.077 ( 0.000 2.325 2.970) 3.772 7.279 ( 0.000 -3.719 -2.290) 4.368 7.492 ( 0.000 0.475 -3.893) 3.922 7.505 ( 0.000 1.815 -6.544) 6.791 7.758 ( 0.000 10.406 4.402) 11.298 7.930 ( 0.000 7.522 -3.771) 8.414 8.100 ( 0.000 10.887 2.653) 11.206 8.284 ( 0.000 2.688 -3.586) 4.482 8.342 ( 0.000 -0.447 10.852) 10.862 8.510 ( 0.000 -4.444 -0.228) 4.450 8.879 ( 0.000 -2.417 -4.918) 5.480 9.038 ( 0.000 0.212 -3.374) 3.380 9.145 ( 0.000 13.208 2.487) 13.440 9.182 ( 0.000 6.008 6.001) 8.492 9.246 ( 0.000 2.950 3.668) 4.707 9.355 ( 0.000 -4.085 1.453) 4.336 9.558 ( 0.000 6.435 -0.484) 6.454 9.698 ( 0.000 14.077 3.636) 14.539 9.977 ( 0.000 12.679 -23.538) 26.736 10.153 ( 0.000 -10.075 -6.178) 11.819 10.394 ( 0.000 0.769 13.433) 13.455 10.587 ( 0.000 -14.091 -8.635) 16.527 10.643 ( 0.000 -17.801 -7.536) 19.331 10.794 ( 0.000 -13.940 9.264) 16.738 10.936 ( 0.000 -5.868 1.418) 6.037 10.980 ( 0.000 -19.919 -4.422) 20.404 11.068 ( 0.000 0.358 -6.276) 6.286 11.175 ( 0.000 -5.514 -6.105) 8.226 11.817 ( 0.000 4.761 -0.979) 4.860 11.939 ( 0.000 3.303 2.211) 3.975 12.138 ( 0.000 -3.714 -9.473) 10.175 12.303 ( 0.000 -4.479 -7.292) 8.557 12.956 ( 0.000 5.414 -16.830) 17.680 13.121 ( 0.000 1.900 -11.640) 11.794 13.318 ( 0.000 8.958 5.937) 10.746 13.609 ( 0.000 -1.225 1.223) 1.731 13.764 ( 0.000 -2.377 9.388) 9.684 13.785 ( 0.000 -3.416 -1.248) 3.637 14.325 ( 0.000 0.820 6.397) 6.450 14.388 ( 0.000 -5.533 5.931) 8.112 14.697 ( 0.000 14.014 -1.297) 14.073 15.029 ( 0.000 -3.580 -3.893) 5.288 15.138 ( 0.000 9.718 9.141) 13.342 15.183 ( 0.000 5.562 9.354) 10.883 15.721 ( 0.000 -0.584 6.419) 6.446 15.845 ( 0.000 -4.739 4.088) 6.259 20.873 ( 0.000 0.443 0.018) 0.444 20.893 ( 0.000 -0.585 -0.579) 0.823 22.610 ( 0.000 -3.178 3.757) 4.921 22.670 ( 0.000 -5.743 -0.213) 5.747 22.828 ( 0.000 4.063 2.524) 4.783 22.973 ( 0.000 -2.404 0.378) 2.433 23.505 ( 0.000 1.618 0.041) 1.618 23.594 ( 0.000 -2.135 -2.509) 3.294 23.654 ( 0.000 0.478 0.535) 0.717 23.672 ( 0.000 -0.470 -1.206) 1.294 23.932 ( 0.000 4.964 0.322) 4.974 24.045 ( 0.000 -0.997 -3.516) 3.655 26.033 ( 0.000 5.555 -1.389) 5.726 26.094 ( 0.000 2.796 -5.176) 5.883 26.577 ( 0.000 7.092 2.060) 7.385 26.733 ( 0.000 0.167 -0.638) 0.660 27.228 ( 0.000 7.655 0.724) 7.689 27.271 ( 0.000 8.015 -4.019) 8.966 28.183 ( 0.000 -2.018 0.900) 2.209 28.198 ( 0.000 -4.616 2.028) 5.042 ======================= Grid point 148 (54/80) ======================= q-point: ( 0.14 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 3.058 12.567 5.416) 14.022 2.224 ( 1.894 16.363 6.043) 17.545 2.519 ( -3.640 -9.087 -7.286) 12.203 2.827 ( 4.334 -3.667 -6.565) 8.679 3.084 ( -3.848 10.953 2.075) 11.793 3.141 ( -3.570 13.228 6.656) 15.232 3.374 ( -3.667 2.311 -5.051) 6.655 3.656 ( 3.252 6.854 -6.946) 10.285 3.939 ( 4.279 6.566 -14.630) 16.597 4.038 ( -4.356 -3.421 -6.116) 8.251 4.099 ( -0.715 3.999 -4.127) 5.791 4.166 ( -0.660 -3.361 -7.606) 8.342 4.471 ( -7.076 8.163 9.229) 14.208 4.488 ( -2.920 6.611 -1.345) 7.352 4.589 ( -2.966 10.312 -8.885) 13.931 4.770 ( -3.849 5.470 2.771) 7.240 4.902 ( 0.594 -4.618 -0.285) 4.664 5.038 ( -6.523 1.411 1.888) 6.936 5.305 ( 1.182 7.041 4.781) 8.592 5.424 ( -5.258 7.097 8.547) 12.291 5.637 ( -6.036 5.742 -1.821) 8.528 5.787 ( -1.059 3.644 -1.940) 4.262 5.847 ( -3.536 7.097 1.467) 8.063 6.043 ( -3.220 1.709 -2.359) 4.342 6.117 ( 1.559 1.532 3.276) 3.938 6.440 ( 0.366 -14.010 1.761) 14.125 6.638 ( 0.150 3.705 -0.858) 3.806 6.741 ( -2.020 3.983 1.761) 4.801 6.886 ( -6.843 -4.509 1.886) 8.409 7.069 ( 6.286 -5.149 8.517) 11.772 7.151 ( 4.533 -4.909 3.822) 7.698 7.227 ( -4.702 -1.627 -0.808) 5.041 7.483 ( 4.034 6.105 -1.568) 7.483 7.616 ( 6.701 0.646 -1.933) 7.004 7.762 ( 1.118 10.218 3.969) 11.018 7.927 ( 0.508 4.781 -3.935) 6.214 8.157 ( 4.949 9.128 1.277) 10.462 8.273 ( -0.561 2.714 -1.530) 3.165 8.384 ( 3.397 -0.858 9.295) 9.934 8.528 ( 0.620 -4.326 -3.621) 5.675 8.876 ( -0.130 -2.100 -5.073) 5.492 9.028 ( -1.787 7.236 -1.840) 7.677 9.133 ( 0.475 4.082 3.152) 5.179 9.186 ( 0.515 5.813 3.490) 6.800 9.263 ( 1.769 5.161 2.142) 5.861 9.364 ( 1.163 -2.121 2.296) 3.335 9.542 ( -1.034 5.836 -0.363) 5.938 9.676 ( -2.190 12.603 4.497) 13.559 9.987 ( 1.439 12.309 -21.885) 25.150 10.148 ( -0.697 -11.569 -5.127) 12.673 10.361 ( -3.630 2.018 9.886) 10.723 10.516 ( -3.600 -17.772 -3.624) 18.491 10.692 ( 0.261 -17.217 -0.637) 17.230 10.783 ( 0.052 -11.509 3.196) 11.944 10.989 ( 3.902 -10.240 -4.315) 11.777 11.032 ( 4.696 -15.553 -1.978) 16.366 11.118 ( 6.106 1.755 -6.244) 8.908 11.199 ( 2.562 -3.888 -4.892) 6.753 11.767 ( -5.036 4.638 -2.546) 7.305 11.975 ( 3.459 2.446 2.078) 4.719 12.057 ( -7.517 -4.431 -11.276) 14.257 12.288 ( -0.869 -4.476 -5.958) 7.503 12.886 ( -6.646 6.732 -14.538) 17.345 13.057 ( -6.547 1.142 -12.944) 14.550 13.377 ( 5.104 7.749 5.224) 10.649 13.620 ( 0.628 -2.546 1.644) 3.095 13.756 ( 1.696 2.308 4.931) 5.703 13.895 ( 8.276 -2.613 5.717) 10.393 14.202 ( -10.436 1.723 5.667) 11.999 14.331 ( -4.943 -4.347 4.632) 8.049 14.731 ( 2.469 12.145 1.186) 12.450 15.032 ( -2.741 0.953 -3.035) 4.199 15.104 ( -1.219 5.763 13.216) 14.470 15.211 ( 3.105 1.848 4.222) 5.557 15.685 ( -8.031 0.019 6.858) 10.561 15.708 ( -7.363 -1.481 6.861) 10.173 21.116 ( 23.689 1.678 -0.363) 23.751 21.238 ( 31.556 -5.037 -4.966) 32.339 22.605 ( -0.460 -2.909 3.002) 4.206 22.666 ( -0.607 -5.243 -0.413) 5.294 22.849 ( 2.366 3.325 3.354) 5.282 22.985 ( 1.269 -2.575 0.615) 2.936 23.481 ( -2.556 1.618 0.406) 3.053 23.578 ( -1.689 -2.427 -1.950) 3.542 23.664 ( 1.082 0.437 0.273) 1.199 23.683 ( 1.164 -0.430 -1.235) 1.751 23.919 ( -1.403 4.508 0.409) 4.739 24.032 ( -1.442 -1.410 -3.243) 3.819 26.039 ( 0.657 5.978 -1.607) 6.225 26.097 ( 0.383 3.764 -4.907) 6.196 26.530 ( -4.536 6.524 1.907) 8.172 26.679 ( -5.333 0.146 -0.826) 5.398 27.247 ( 2.098 7.542 0.566) 7.849 27.294 ( 2.410 7.422 -3.975) 8.758 28.129 ( -5.684 -2.675 1.288) 6.412 28.136 ( -6.027 -3.887 1.508) 7.329 ======================= Grid point 149 (55/80) ======================= q-point: ( 0.29 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 8.957 8.055 0.185) 12.048 2.261 ( 1.610 15.218 -0.553) 15.313 2.517 ( 4.294 -8.739 -4.159) 10.588 2.872 ( -1.692 -10.084 -12.718) 16.318 3.070 ( 3.119 19.499 8.171) 21.371 3.133 ( 6.193 17.054 3.166) 18.418 3.360 ( 2.318 3.660 -7.328) 8.512 3.722 ( 1.733 5.594 -2.409) 6.333 3.840 ( -5.946 -4.043 -3.811) 8.138 4.025 ( -7.189 2.419 -1.911) 7.822 4.075 ( -2.604 2.883 -6.150) 7.275 4.131 ( 1.899 4.264 -0.697) 4.719 4.280 ( -7.841 5.450 1.523) 9.670 4.456 ( -5.418 1.173 -7.575) 9.387 4.535 ( -4.341 7.778 -6.644) 11.112 4.704 ( -2.115 3.077 1.107) 3.894 4.912 ( -2.238 -2.195 -3.120) 4.423 4.923 ( 0.597 -0.529 2.005) 2.158 5.283 ( -9.212 4.222 8.533) 13.248 5.323 ( -0.226 2.278 2.369) 3.295 5.583 ( 1.819 5.923 -0.459) 6.213 5.708 ( -5.105 3.638 -0.526) 6.291 5.812 ( -1.798 12.855 2.175) 13.161 5.950 ( -5.502 11.304 -1.575) 12.670 6.146 ( 0.582 4.834 0.470) 4.891 6.368 ( -4.895 -12.567 -2.671) 13.749 6.596 ( -10.095 1.655 2.823) 10.613 6.671 ( -2.568 -4.660 6.883) 8.700 6.832 ( 2.295 -0.163 -5.800) 6.239 7.055 ( -8.210 1.267 -0.282) 8.312 7.155 ( 2.322 -3.092 6.256) 7.354 7.272 ( 3.674 -8.336 5.237) 10.507 7.596 ( 6.558 8.178 2.432) 10.761 7.770 ( 9.139 1.238 -0.011) 9.223 7.804 ( 2.388 10.930 3.552) 11.739 8.002 ( 7.964 0.252 -2.463) 8.340 8.223 ( 0.649 0.808 2.759) 2.948 8.275 ( 0.821 2.038 -0.245) 2.211 8.423 ( -1.870 -1.703 5.509) 6.062 8.500 ( -1.576 -0.466 -3.379) 3.758 8.855 ( -2.470 0.052 -2.722) 3.676 8.959 ( -4.772 16.992 -1.258) 17.694 9.211 ( 3.438 7.212 2.788) 8.462 9.226 ( 7.153 -6.472 0.228) 9.649 9.314 ( 3.152 9.461 -1.292) 10.056 9.412 ( 3.908 1.376 2.508) 4.843 9.556 ( 3.471 -0.010 0.459) 3.502 9.618 ( -3.149 8.938 5.468) 10.941 10.041 ( 3.900 8.621 -16.546) 19.060 10.115 ( -3.048 -13.092 -4.545) 14.190 10.259 ( -6.182 2.242 2.921) 7.195 10.491 ( 1.036 -15.335 3.189) 15.697 10.612 ( -7.022 -19.791 7.148) 22.183 10.794 ( -1.580 -3.043 -5.723) 6.671 11.044 ( 2.489 -15.169 -7.751) 17.215 11.119 ( 3.743 -12.574 -2.158) 13.296 11.272 ( 4.984 -0.825 -3.024) 5.888 11.301 ( 11.474 -0.013 -4.181) 12.212 11.648 ( -6.657 3.571 -3.481) 8.318 11.883 ( -9.204 -7.686 -8.304) 14.586 12.076 ( 6.557 4.007 -3.864) 8.601 12.296 ( 2.249 -2.679 -5.038) 6.133 12.721 ( -10.293 6.631 -12.986) 17.848 12.878 ( -11.714 0.740 -13.084) 17.577 13.485 ( 5.951 6.114 4.163) 9.494 13.634 ( 1.174 -1.751 0.959) 2.316 13.782 ( -0.612 7.179 6.841) 9.935 13.985 ( -11.269 2.917 4.906) 12.632 14.075 ( 10.074 0.590 7.945) 12.844 14.289 ( 2.061 -3.654 4.557) 6.194 14.730 ( -3.550 6.147 7.970) 10.673 14.913 ( -7.875 2.600 0.656) 8.319 15.117 ( 1.919 3.811 11.525) 12.289 15.296 ( 5.398 -2.382 -0.199) 5.904 15.452 ( -10.834 6.827 10.083) 16.299 15.632 ( -4.371 -2.952 4.885) 7.189 21.671 ( 31.051 3.561 -0.980) 31.270 21.888 ( 31.683 -7.213 -8.977) 33.711 22.590 ( -1.368 -2.869 1.562) 3.541 22.641 ( -2.168 -3.803 -0.806) 4.451 22.925 ( 5.595 1.210 3.843) 6.894 23.024 ( 3.021 -2.109 1.103) 3.846 23.409 ( -4.849 0.768 1.686) 5.190 23.525 ( -4.021 -3.601 -0.701) 5.443 23.694 ( 2.061 0.449 -0.008) 2.109 23.720 ( 2.803 -0.626 -1.354) 3.175 23.877 ( -2.987 3.231 0.425) 4.421 23.984 ( -3.644 -2.298 -2.574) 5.018 26.059 ( 1.412 7.485 -2.269) 7.948 26.109 ( 0.828 6.776 -4.348) 8.093 26.428 ( -5.433 3.923 0.967) 6.770 26.548 ( -7.786 -0.164 -1.476) 7.926 27.312 ( 4.761 7.402 0.281) 8.806 27.365 ( 4.906 6.713 -3.322) 8.954 27.969 ( -10.020 -3.781 2.315) 10.957 27.992 ( -8.885 -3.210 0.062) 9.447 ======================= Grid point 150 (56/80) ======================= q-point: ( 0.43 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 2.481 8.184 -5.447) 10.140 2.285 ( 0.718 13.547 -6.840) 15.193 2.639 ( 6.921 -8.276 -4.601) 11.729 2.774 ( -7.115 -9.020 -7.317) 13.621 3.230 ( 10.324 21.471 -0.284) 23.825 3.306 ( 6.087 16.736 1.830) 17.902 3.455 ( 9.218 7.246 -0.700) 11.746 3.678 ( -5.245 1.482 -1.595) 5.679 3.801 ( -2.713 6.212 3.162) 7.479 3.919 ( 0.209 -2.808 -1.501) 3.190 3.962 ( -6.081 0.536 -2.066) 6.445 4.075 ( -8.511 -0.015 5.150) 9.948 4.253 ( 4.773 6.745 -2.563) 8.652 4.397 ( -5.610 10.416 -5.080) 12.875 4.419 ( 1.389 -2.539 -8.096) 8.598 4.570 ( -10.162 -1.318 -5.438) 11.600 4.941 ( 5.660 0.475 2.338) 6.142 5.059 ( 8.158 -2.964 1.571) 8.821 5.100 ( -6.807 -0.865 2.255) 7.222 5.260 ( -7.340 -5.940 -2.006) 9.653 5.645 ( 1.387 6.379 -0.636) 6.559 5.684 ( 3.230 8.239 -2.104) 9.096 5.756 ( -1.067 13.145 2.347) 13.395 5.858 ( -5.410 14.973 -0.220) 15.922 6.137 ( 2.404 6.981 -0.716) 7.418 6.295 ( -10.484 2.987 -1.832) 11.054 6.438 ( 3.900 -8.608 3.698) 10.148 6.584 ( -7.786 -8.555 2.958) 11.940 6.883 ( 2.520 3.207 -0.269) 4.088 6.938 ( -3.812 4.046 0.974) 5.643 7.211 ( 3.831 -4.887 3.469) 7.113 7.279 ( -2.409 -8.562 3.212) 9.457 7.730 ( 6.629 8.733 4.263) 11.764 7.815 ( -1.819 10.448 3.222) 11.084 7.946 ( 9.541 2.680 -1.200) 9.983 8.114 ( -4.682 -1.324 -2.924) 5.676 8.225 ( 4.680 -3.232 3.008) 6.435 8.300 ( -0.248 0.173 2.190) 2.210 8.348 ( 0.776 -4.183 5.265) 6.769 8.462 ( -5.087 -5.090 -1.319) 7.316 8.821 ( 0.340 11.337 -0.635) 11.360 8.870 ( -4.078 17.481 -1.577) 18.020 9.294 ( 4.791 9.122 5.012) 11.458 9.322 ( 1.994 4.872 -2.627) 5.883 9.359 ( 1.606 5.902 -2.707) 6.688 9.431 ( -4.177 4.373 3.812) 7.149 9.639 ( 7.116 -2.352 1.329) 7.612 9.684 ( 5.369 -5.340 1.686) 7.757 10.027 ( -3.510 -7.050 -0.198) 7.878 10.060 ( -4.565 -3.714 -0.606) 5.916 10.242 ( 7.211 -0.304 -9.621) 12.027 10.430 ( -10.163 -14.863 2.595) 18.192 10.565 ( 4.944 -8.545 -0.444) 9.882 10.692 ( -7.537 -0.886 -6.324) 9.879 11.108 ( 3.760 -18.570 -5.996) 19.873 11.155 ( -0.439 -14.880 -2.806) 15.149 11.386 ( 6.715 1.574 -1.315) 7.021 11.517 ( 2.763 -1.634 -4.318) 5.381 11.520 ( 1.147 1.322 -0.674) 1.876 11.710 ( -9.211 -5.735 -4.503) 11.748 12.237 ( 10.183 5.210 -8.130) 14.034 12.371 ( 2.667 3.344 -7.557) 8.683 12.525 ( -6.646 1.702 -12.307) 14.090 12.639 ( -12.133 -0.063 -11.828) 16.945 13.605 ( 6.443 5.513 3.316) 9.105 13.668 ( 1.808 2.125 0.876) 2.925 13.733 ( -3.005 4.643 5.228) 7.610 13.794 ( -8.214 2.822 3.572) 9.391 14.266 ( 9.313 4.224 9.053) 13.658 14.364 ( 1.660 3.504 8.131) 9.008 14.644 ( -1.559 -3.320 10.700) 11.311 14.745 ( -9.154 -3.498 6.897) 11.984 15.180 ( 4.495 7.792 7.110) 11.466 15.283 ( -6.343 9.836 6.843) 13.557 15.418 ( 6.173 -3.952 1.745) 7.534 15.535 ( -5.745 -3.871 3.162) 7.615 22.187 ( 20.376 4.045 -1.575) 20.833 22.321 ( 10.694 -0.047 -5.981) 12.253 22.541 ( -2.921 -5.028 -0.379) 5.828 22.582 ( -3.991 -4.120 -1.471) 5.922 23.044 ( 6.065 1.669 1.495) 6.466 23.101 ( 2.761 2.073 0.143) 3.456 23.326 ( -1.142 -5.113 4.046) 6.619 23.418 ( -7.104 -6.348 1.505) 9.645 23.743 ( 3.025 0.863 -0.091) 3.147 23.790 ( 3.569 -0.814 -1.302) 3.886 23.813 ( -2.545 0.968 -0.105) 2.725 23.895 ( -5.389 -2.601 -1.905) 6.279 26.094 ( 2.058 10.256 -3.055) 10.898 26.120 ( -0.225 11.034 -3.803) 11.673 26.357 ( -0.940 -0.772 -0.713) 1.410 26.409 ( -5.873 -1.258 -1.869) 6.290 27.423 ( 5.993 8.333 0.070) 10.264 27.461 ( 3.438 8.287 -1.979) 9.187 27.795 ( -6.035 -5.454 1.684) 8.307 27.822 ( -7.542 -5.009 -0.083) 9.054 ======================= Grid point 154 (57/80) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 2.289 ( 0.000 -13.432 -2.532) 13.669 2.289 ( 0.000 13.432 -2.532) 13.669 2.568 ( 0.000 -14.680 -2.851) 14.955 2.568 ( 0.000 14.680 -2.851) 14.955 3.233 ( 0.000 -5.464 7.761) 9.492 3.233 ( 0.000 5.464 7.761) 9.492 3.663 ( 0.000 -14.848 -6.094) 16.050 3.663 ( 0.000 14.848 -6.094) 16.050 4.006 ( 0.000 -4.596 -15.440) 16.109 4.006 ( 0.000 4.596 -15.440) 16.109 4.063 ( 0.000 -6.626 -7.256) 9.826 4.063 ( 0.000 6.626 -7.256) 9.826 4.671 ( 0.000 -4.903 6.414) 8.073 4.671 ( 0.000 4.903 6.414) 8.073 4.712 ( 0.000 -0.249 -8.597) 8.601 4.712 ( 0.000 0.249 -8.597) 8.601 5.007 ( 0.000 -9.072 6.955) 11.431 5.007 ( 0.000 9.072 6.955) 11.431 5.457 ( 0.000 -7.685 9.758) 12.421 5.457 ( 0.000 7.685 9.758) 12.421 5.796 ( 0.000 -4.113 -2.813) 4.983 5.796 ( 0.000 4.113 -2.813) 4.983 6.091 ( 0.000 -3.958 -1.617) 4.276 6.091 ( 0.000 3.958 -1.617) 4.276 6.146 ( 0.000 -9.331 7.691) 12.092 6.146 ( 0.000 9.331 7.691) 12.092 6.753 ( 0.000 -8.726 -4.647) 9.887 6.753 ( 0.000 8.726 -4.647) 9.887 6.907 ( 0.000 -3.046 6.742) 7.398 6.907 ( 0.000 3.046 6.742) 7.398 7.169 ( 0.000 -6.482 1.582) 6.672 7.169 ( 0.000 6.482 1.582) 6.672 7.511 ( 0.000 -0.855 -4.986) 5.059 7.511 ( 0.000 0.855 -4.986) 5.059 7.935 ( 0.000 -6.234 2.086) 6.574 7.935 ( 0.000 6.234 2.086) 6.574 8.260 ( 0.000 -4.359 -0.150) 4.362 8.260 ( 0.000 4.359 -0.150) 4.362 8.408 ( 0.000 -6.334 4.770) 7.930 8.408 ( 0.000 6.334 4.770) 7.930 8.897 ( 0.000 -6.050 -1.344) 6.197 8.897 ( 0.000 6.050 -1.344) 6.197 9.218 ( 0.000 -2.759 3.460) 4.426 9.218 ( 0.000 2.759 3.460) 4.426 9.398 ( 0.000 -1.818 3.902) 4.305 9.398 ( 0.000 1.818 3.902) 4.305 9.779 ( 0.000 -18.475 -7.206) 19.831 9.779 ( 0.000 18.475 -7.206) 19.831 10.105 ( 0.000 -22.675 -2.610) 22.825 10.105 ( 0.000 22.675 -2.610) 22.825 10.323 ( 0.000 -5.875 -13.086) 14.344 10.323 ( 0.000 5.875 -13.086) 14.344 10.537 ( 0.000 -9.645 4.879) 10.809 10.537 ( 0.000 9.645 4.879) 10.809 10.849 ( 0.000 -1.292 2.063) 2.434 10.849 ( 0.000 1.292 2.063) 2.434 11.106 ( 0.000 -2.699 -8.227) 8.659 11.106 ( 0.000 2.699 -8.227) 8.659 11.925 ( 0.000 -5.518 2.262) 5.963 11.925 ( 0.000 5.518 2.262) 5.963 12.167 ( 0.000 -7.354 -8.303) 11.091 12.167 ( 0.000 7.354 -8.303) 11.091 13.061 ( 0.000 -5.321 -17.771) 18.550 13.061 ( 0.000 5.321 -17.771) 18.550 13.515 ( 0.000 -8.657 9.610) 12.934 13.515 ( 0.000 8.657 9.610) 12.934 13.751 ( 0.000 -0.564 2.973) 3.026 13.751 ( 0.000 0.564 2.973) 3.026 14.332 ( 0.000 -0.811 5.294) 5.356 14.332 ( 0.000 0.811 5.294) 5.356 14.911 ( 0.000 -8.605 -1.328) 8.707 14.911 ( 0.000 8.605 -1.328) 8.707 15.237 ( 0.000 -0.443 8.665) 8.676 15.237 ( 0.000 0.443 8.665) 8.676 15.758 ( 0.000 -4.005 4.444) 5.982 15.758 ( 0.000 4.005 4.444) 5.982 20.882 ( 0.000 -0.568 -0.299) 0.642 20.882 ( 0.000 0.568 -0.299) 0.642 22.596 ( 0.000 -1.749 0.260) 1.769 22.596 ( 0.000 1.749 0.260) 1.769 22.911 ( 0.000 -4.141 2.149) 4.665 22.911 ( 0.000 4.141 2.149) 4.665 23.547 ( 0.000 -2.589 -1.547) 3.016 23.547 ( 0.000 2.589 -1.547) 3.016 23.662 ( 0.000 -0.501 -0.186) 0.534 23.662 ( 0.000 0.501 -0.186) 0.534 24.007 ( 0.000 -2.939 -1.345) 3.232 24.007 ( 0.000 2.939 -1.345) 3.232 26.104 ( 0.000 -1.707 -2.515) 3.039 26.104 ( 0.000 1.707 -2.515) 3.039 26.692 ( 0.000 -4.437 0.972) 4.542 26.692 ( 0.000 4.437 0.972) 4.542 27.329 ( 0.000 -1.874 -0.761) 2.023 27.329 ( 0.000 1.874 -0.761) 2.023 28.156 ( 0.000 -0.132 0.826) 0.837 28.156 ( 0.000 0.132 0.826) 0.837 ======================= Grid point 156 (58/80) ======================= q-point: ( 0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -0.854 -12.357 -1.597) 12.489 2.264 ( -0.854 12.357 -1.597) 12.489 2.587 ( 1.541 -16.620 -5.220) 17.488 2.587 ( 1.541 16.620 -5.220) 17.488 3.208 ( -0.821 -5.432 6.296) 8.356 3.208 ( -0.821 5.432 6.296) 8.356 3.640 ( -2.256 -16.097 -5.146) 17.049 3.640 ( -2.256 16.097 -5.146) 17.050 4.000 ( -3.607 -6.100 -9.732) 12.039 4.000 ( -3.607 6.100 -9.732) 12.039 4.087 ( 4.286 -5.462 -9.150) 11.486 4.087 ( 4.286 5.462 -9.150) 11.486 4.558 ( -8.696 -1.893 2.228) 9.174 4.558 ( -8.696 1.893 2.228) 9.174 4.740 ( 0.714 -8.113 -6.521) 10.433 4.740 ( 0.714 8.113 -6.521) 10.433 4.951 ( -5.159 -8.379 6.251) 11.658 4.951 ( -5.159 8.379 6.251) 11.658 5.412 ( -4.118 -4.958 8.414) 10.599 5.412 ( -4.118 4.958 8.414) 10.599 5.761 ( -3.646 -6.009 -0.688) 7.062 5.761 ( -3.646 6.009 -0.688) 7.062 6.078 ( 0.424 -9.582 -2.070) 9.812 6.078 ( 0.424 9.582 -2.070) 9.812 6.188 ( 1.825 -11.332 5.688) 12.810 6.188 ( 1.825 11.332 5.688) 12.810 6.754 ( -3.958 -8.125 -4.740) 10.206 6.754 ( -3.958 8.125 -4.740) 10.206 6.876 ( 0.714 -9.554 5.248) 10.924 6.876 ( 0.714 9.554 5.248) 10.924 7.177 ( 0.613 -3.322 4.485) 5.615 7.177 ( 0.613 3.322 4.485) 5.615 7.579 ( 6.116 -3.898 -1.974) 7.517 7.579 ( 6.116 3.898 -1.974) 7.517 7.932 ( 0.683 -5.332 1.478) 5.575 7.932 ( 0.683 5.332 1.478) 5.575 8.256 ( -0.698 -3.294 0.252) 3.376 8.256 ( -0.698 3.294 0.252) 3.376 8.445 ( 2.831 -5.098 1.815) 6.107 8.445 ( 2.831 5.098 1.815) 6.107 8.908 ( 1.732 -7.083 -0.703) 7.326 8.908 ( 1.732 7.083 -0.703) 7.326 9.224 ( 0.630 -4.236 2.924) 5.186 9.224 ( 0.630 4.236 2.924) 5.186 9.382 ( -1.506 -5.522 3.375) 6.644 9.382 ( -1.506 5.522 3.375) 6.644 9.785 ( 0.853 -19.083 -6.771) 20.267 9.785 ( 0.853 19.083 -6.771) 20.267 10.053 ( -4.443 -20.151 -1.677) 20.703 10.053 ( -4.443 20.151 -1.677) 20.703 10.313 ( -1.874 -7.743 -5.536) 9.701 10.313 ( -1.874 7.743 -5.536) 9.701 10.547 ( 1.364 -11.716 -1.365) 11.874 10.547 ( 1.364 11.716 -1.365) 11.874 10.902 ( 4.240 -2.623 0.662) 5.030 10.902 ( 4.240 2.623 0.662) 5.030 11.153 ( 4.974 -1.791 -6.989) 8.763 11.153 ( 4.974 1.791 -6.989) 8.763 11.885 ( -5.031 -7.389 -0.887) 8.983 11.885 ( -5.031 7.389 -0.887) 8.983 12.145 ( -0.523 -8.805 -6.629) 11.034 12.145 ( -0.523 8.805 -6.629) 11.034 13.003 ( -6.126 -5.297 -15.792) 17.748 13.003 ( -6.126 5.297 -15.792) 17.748 13.532 ( 1.777 -6.767 6.412) 9.490 13.532 ( 1.777 6.767 6.412) 9.490 13.827 ( 6.980 -4.270 6.337) 10.350 13.827 ( 6.980 4.270 6.337) 10.350 14.253 ( -6.818 -3.618 4.168) 8.772 14.253 ( -6.818 3.618 4.168) 8.772 14.928 ( 0.111 -8.447 1.312) 8.549 14.928 ( 0.111 8.447 1.312) 8.549 15.211 ( -1.747 -2.811 7.208) 7.932 15.211 ( -1.747 2.811 7.208) 7.932 15.692 ( -5.977 -0.671 5.225) 7.967 15.692 ( -5.977 0.671 5.225) 7.967 21.161 ( 26.622 -3.136 -2.147) 26.891 21.161 ( 26.622 3.136 -2.147) 26.891 22.595 ( -0.195 -1.821 0.046) 1.832 22.595 ( -0.195 1.821 0.046) 1.832 22.924 ( 1.457 -3.934 2.528) 4.898 22.924 ( 1.457 3.934 2.528) 4.898 23.525 ( -2.313 -2.876 -1.106) 3.853 23.525 ( -2.313 2.876 -1.106) 3.853 23.673 ( 1.112 -0.536 -0.343) 1.281 23.673 ( 1.112 0.536 -0.343) 1.281 23.990 ( -1.867 -2.958 -1.244) 3.713 23.990 ( -1.867 2.958 -1.244) 3.713 26.115 ( 1.232 -1.742 -2.442) 3.243 26.115 ( 1.232 1.742 -2.442) 3.243 26.639 ( -5.271 -4.318 0.759) 6.856 26.639 ( -5.271 4.318 0.759) 6.856 27.348 ( 2.026 -1.920 -0.851) 2.919 27.348 ( 2.026 1.920 -0.851) 2.919 28.098 ( -5.888 -0.477 0.769) 5.957 28.098 ( -5.888 0.477 0.769) 5.957 ======================= Grid point 158 (59/80) ======================= q-point: ( 0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 6.171 -9.301 -1.867) 11.317 2.317 ( 6.171 9.301 -1.867) 11.317 2.601 ( -0.442 -16.454 -8.963) 18.742 2.601 ( -0.442 16.454 -8.963) 18.742 3.277 ( 8.939 -4.399 3.976) 10.727 3.277 ( 8.939 4.399 3.976) 10.727 3.584 ( -2.869 -18.542 -2.858) 18.979 3.584 ( -2.869 18.542 -2.858) 18.979 3.904 ( -4.960 -9.889 -5.122) 12.192 3.904 ( -4.960 9.889 -5.122) 12.192 4.160 ( 1.018 -1.813 -1.295) 2.450 4.160 ( 1.018 1.813 -1.295) 2.450 4.383 ( -7.978 -5.332 -3.672) 10.274 4.383 ( -7.978 5.332 -3.672) 10.274 4.697 ( -6.831 -5.712 -8.095) 12.034 4.697 ( -6.831 5.712 -8.095) 12.034 4.888 ( 1.083 -2.494 3.690) 4.584 4.888 ( 1.083 2.494 3.690) 4.584 5.304 ( -7.584 -1.183 5.668) 9.542 5.304 ( -7.584 1.183 5.668) 9.542 5.697 ( -1.161 -4.804 1.735) 5.238 5.697 ( -1.161 4.804 1.735) 5.238 6.101 ( -1.436 -10.211 2.114) 10.526 6.101 ( -1.436 10.211 2.114) 10.526 6.177 ( -0.247 -6.998 -3.167) 7.686 6.177 ( -0.247 6.999 -3.167) 7.686 6.609 ( -8.858 -1.576 1.724) 9.161 6.609 ( -8.858 1.576 1.724) 9.161 6.940 ( 4.259 -10.651 -0.837) 11.502 6.940 ( 4.259 10.651 -0.837) 11.502 7.164 ( -2.414 -4.379 6.581) 8.266 7.164 ( -2.414 4.379 6.581) 8.266 7.722 ( 8.533 -5.048 1.802) 10.077 7.722 ( 8.533 5.048 1.802) 10.077 7.983 ( 4.029 -5.666 0.583) 6.977 7.983 ( 4.029 5.666 0.583) 6.977 8.231 ( -1.503 -3.179 2.837) 4.518 8.231 ( -1.503 3.179 2.837) 4.518 8.453 ( -2.866 -3.517 -1.856) 4.902 8.453 ( -2.866 3.517 -1.856) 4.902 8.989 ( 6.247 -12.179 0.266) 13.691 8.989 ( 6.247 12.179 0.266) 13.691 9.238 ( -0.073 -10.033 -0.113) 10.033 9.238 ( -0.073 10.033 -0.113) 10.033 9.373 ( 2.630 -6.727 4.024) 8.268 9.373 ( 2.630 6.727 4.024) 8.268 9.804 ( 0.026 -17.040 -4.548) 17.636 9.804 ( 0.026 17.040 -4.548) 17.636 9.973 ( -2.731 -19.844 0.009) 20.031 9.973 ( -2.731 19.844 0.009) 20.031 10.237 ( -5.803 -8.184 1.966) 10.223 10.237 ( -5.803 8.184 1.966) 10.223 10.602 ( 4.514 -16.050 -8.595) 18.758 10.602 ( 4.514 16.050 -8.595) 18.758 10.950 ( -0.482 -6.487 -3.170) 7.236 10.950 ( -0.482 6.487 -3.170) 7.236 11.286 ( 8.284 -1.394 -3.511) 9.104 11.286 ( 8.284 1.394 -3.511) 9.104 11.747 ( -7.893 -6.528 -3.313) 10.766 11.747 ( -7.893 6.528 -3.313) 10.766 12.190 ( 5.194 -7.085 -5.912) 10.589 12.190 ( 5.194 7.085 -5.912) 10.589 12.832 ( -11.388 -4.749 -13.519) 18.303 12.832 ( -11.388 4.749 -13.519) 18.303 13.584 ( 3.704 -3.864 3.139) 6.205 13.584 ( 3.704 3.864 3.139) 6.205 13.917 ( -1.734 -6.430 8.497) 10.796 13.917 ( -1.734 6.430 8.497) 10.796 14.186 ( 4.241 -6.904 4.983) 9.513 14.186 ( 4.241 6.904 4.983) 9.513 14.846 ( -8.870 -6.222 8.290) 13.642 14.846 ( -8.870 6.222 8.290) 13.642 15.225 ( 3.640 -5.469 2.814) 7.147 15.225 ( 3.640 5.469 2.814) 7.147 15.567 ( -6.591 -4.566 4.971) 9.434 15.567 ( -6.591 4.566 4.971) 9.434 21.760 ( 32.238 -5.899 -4.482) 33.078 21.760 ( 32.238 5.899 -4.482) 33.078 22.581 ( -1.588 -1.762 -0.664) 2.463 22.581 ( -1.588 1.762 -0.664) 2.463 22.975 ( 4.292 -3.123 3.347) 6.275 22.975 ( 4.292 3.123 3.347) 6.275 23.453 ( -5.503 -3.567 0.050) 6.559 23.453 ( -5.503 3.567 0.050) 6.559 23.705 ( 2.340 -0.752 -0.657) 2.544 23.705 ( 2.340 0.752 -0.657) 2.544 23.934 ( -3.931 -2.849 -1.114) 4.981 23.934 ( -3.931 2.849 -1.114) 4.981 26.154 ( 2.883 -1.905 -2.302) 4.152 26.154 ( 2.883 1.905 -2.302) 4.152 26.507 ( -7.921 -3.823 -0.089) 8.796 26.507 ( -7.921 3.823 -0.089) 8.796 27.413 ( 5.037 -2.044 -0.773) 5.490 27.413 ( 5.037 2.044 -0.773) 5.490 27.942 ( -9.974 -1.184 0.582) 10.061 27.942 ( -9.974 1.184 0.582) 10.061 ======================= Grid point 160 (60/80) ======================= q-point: ( 0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 6.619 -9.220 -5.664) 12.685 2.447 ( 6.619 9.220 -5.664) 12.685 2.558 ( -4.380 -12.329 -8.616) 15.666 2.558 ( -4.380 12.329 -8.616) 15.666 3.499 ( 10.600 -3.241 -0.728) 11.108 3.499 ( 10.600 3.241 -0.728) 11.108 3.581 ( 1.879 -12.961 -1.406) 13.172 3.581 ( 1.879 12.961 -1.406) 13.172 3.846 ( 1.391 -3.026 1.060) 3.495 3.846 ( 1.391 3.026 1.060) 3.495 4.029 ( -12.822 -4.729 4.354) 14.343 4.029 ( -12.822 4.729 4.354) 14.343 4.363 ( 5.291 -4.905 -5.918) 9.332 4.363 ( 5.291 4.905 -5.918) 9.332 4.520 ( -10.002 -4.132 -4.963) 11.906 4.520 ( -10.002 4.132 -4.963) 11.906 4.973 ( 6.716 -3.439 -0.791) 7.587 4.973 ( 6.716 3.439 -0.791) 7.587 5.131 ( -9.504 -4.882 1.429) 10.780 5.131 ( -9.504 4.882 1.429) 10.780 5.759 ( 7.460 -2.779 0.995) 8.022 5.759 ( 7.460 2.779 0.995) 8.022 5.948 ( -10.943 -5.771 0.201) 12.373 5.948 ( -10.943 5.771 0.201) 12.373 6.272 ( 7.687 -7.509 -1.805) 10.896 6.272 ( 7.687 7.509 -1.805) 10.896 6.437 ( -9.115 -6.967 1.163) 11.532 6.437 ( -9.115 6.967 1.163) 11.532 7.023 ( 4.271 -7.938 1.818) 9.195 7.023 ( 4.271 7.938 1.818) 9.195 7.100 ( -3.797 -6.254 5.320) 9.046 7.100 ( -3.797 6.254 5.320) 9.046 7.887 ( 8.248 -7.238 1.622) 11.092 7.887 ( 8.248 7.238 1.622) 11.092 8.009 ( -3.191 -9.199 0.441) 9.747 8.009 ( -3.191 9.199 0.441) 9.747 8.244 ( 4.078 -4.441 3.450) 6.947 8.244 ( 4.078 4.441 3.450) 6.947 8.355 ( -6.366 -4.685 0.043) 7.905 8.355 ( -6.366 4.685 0.043) 7.905 9.102 ( 5.207 -15.637 -0.165) 16.482 9.102 ( 5.207 15.637 -0.165) 16.482 9.191 ( -4.087 -15.094 -1.289) 15.691 9.191 ( -4.087 15.094 -1.289) 15.691 9.523 ( 11.174 -6.500 3.747) 13.460 9.523 ( 11.174 6.500 3.747) 13.460 9.723 ( -8.407 -8.178 1.263) 11.797 9.723 ( -8.407 8.178 1.263) 11.797 9.996 ( 4.585 -15.744 -0.867) 16.421 9.996 ( 4.585 15.744 -0.867) 16.421 10.111 ( -6.838 -10.299 1.741) 12.485 10.111 ( -6.838 10.299 1.741) 12.485 10.718 ( 7.465 -16.354 -10.626) 20.883 10.718 ( 7.465 16.354 -10.626) 20.883 10.869 ( -7.279 -12.588 -8.592) 16.890 10.869 ( -7.279 12.588 -8.592) 16.890 11.452 ( 8.702 -4.095 0.300) 9.622 11.452 ( 8.702 4.095 0.300) 9.622 11.606 ( -7.330 -5.507 0.291) 9.173 11.606 ( -7.330 5.507 0.291) 9.173 12.345 ( 10.933 -5.064 -9.639) 15.430 12.345 ( 10.933 5.064 -9.639) 15.430 12.587 ( -13.545 -4.307 -12.171) 18.712 12.587 ( -13.545 4.307 -12.171) 18.712 13.674 ( 5.734 -1.590 2.608) 6.497 13.674 ( 5.734 1.590 2.608) 6.497 13.802 ( -7.395 -1.902 4.232) 8.730 13.802 ( -7.395 1.902 4.232) 8.730 14.377 ( 12.774 -4.914 10.393) 17.185 14.377 ( 12.774 4.914 10.393) 17.185 14.628 ( -12.909 -5.103 11.304) 17.901 14.628 ( -12.909 5.103 11.304) 17.901 15.324 ( 6.028 -6.325 2.030) 8.971 15.324 ( 6.028 6.325 2.030) 8.971 15.443 ( -6.351 -6.369 3.286) 9.576 15.443 ( -6.351 6.369 3.286) 9.576 22.274 ( 19.618 -4.574 -4.197) 20.576 22.274 ( 19.618 4.574 -4.197) 20.576 22.512 ( -6.624 -2.171 -2.104) 7.282 22.512 ( -6.624 2.171 -2.104) 7.282 23.106 ( 9.501 -3.070 3.325) 10.523 23.106 ( 9.501 3.070 3.325) 10.523 23.305 ( -9.866 -4.042 1.704) 10.797 23.305 ( -9.866 4.042 1.704) 10.797 23.763 ( 3.765 -1.377 -0.973) 4.126 23.763 ( 3.765 1.377 -0.973) 4.126 23.847 ( -4.793 -2.276 -1.115) 5.422 23.847 ( -4.793 2.276 -1.115) 5.422 26.231 ( 5.278 -2.290 -2.042) 6.105 26.231 ( 5.278 2.290 -2.042) 6.105 26.355 ( -7.558 -3.001 -1.282) 8.233 26.355 ( -7.558 3.001 -1.282) 8.233 27.545 ( 8.705 -2.129 -0.316) 8.967 27.545 ( 8.705 2.129 -0.316) 8.967 27.737 ( -10.925 -1.851 0.218) 11.082 27.737 ( -10.925 1.851 0.218) 11.082 ======================= Grid point 189 (61/80) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 1.572 ( 0.000 0.000 8.788) 8.788 1.755 ( 0.000 0.000 -9.340) 9.340 2.159 ( 0.000 0.000 29.436) 29.436 2.213 ( 0.000 0.000 31.420) 31.420 2.678 ( 0.000 0.000 -23.956) 23.956 2.701 ( 0.000 0.000 -11.269) 11.269 3.026 ( 0.000 0.000 10.925) 10.925 3.291 ( 0.000 0.000 5.058) 5.058 3.307 ( 0.000 0.000 -14.403) 14.403 3.392 ( 0.000 0.000 -4.597) 4.597 3.717 ( 0.000 0.000 9.379) 9.379 3.902 ( 0.000 0.000 -9.508) 9.508 4.035 ( 0.000 0.000 10.015) 10.015 4.187 ( 0.000 0.000 -6.785) 6.785 4.228 ( 0.000 0.000 6.414) 6.414 4.445 ( 0.000 0.000 -11.074) 11.074 4.835 ( 0.000 0.000 7.976) 7.976 4.994 ( 0.000 0.000 -8.595) 8.595 5.035 ( 0.000 0.000 5.311) 5.311 5.134 ( 0.000 0.000 -5.013) 5.013 5.303 ( 0.000 0.000 -6.504) 6.504 5.400 ( 0.000 0.000 -16.175) 16.175 6.280 ( 0.000 0.000 12.451) 12.451 6.480 ( 0.000 0.000 -8.405) 8.405 6.500 ( 0.000 0.000 -0.753) 0.753 6.507 ( 0.000 0.000 -2.230) 2.230 6.902 ( 0.000 0.000 3.439) 3.439 6.916 ( 0.000 0.000 1.537) 1.537 7.006 ( 0.000 0.000 17.428) 17.428 7.186 ( 0.000 0.000 4.099) 4.099 7.272 ( 0.000 0.000 -4.670) 4.670 7.277 ( 0.000 0.000 -7.295) 7.295 7.366 ( 0.000 0.000 -2.643) 2.643 7.391 ( 0.000 0.000 -1.188) 1.188 7.466 ( 0.000 0.000 0.275) 0.275 7.483 ( 0.000 0.000 -2.318) 2.318 7.515 ( 0.000 0.000 11.649) 11.649 7.699 ( 0.000 0.000 -6.199) 6.199 8.519 ( 0.000 0.000 5.008) 5.008 8.589 ( 0.000 0.000 -2.525) 2.525 8.675 ( 0.000 0.000 10.271) 10.271 8.710 ( 0.000 0.000 8.732) 8.732 8.840 ( 0.000 0.000 7.844) 7.844 8.965 ( 0.000 0.000 -10.060) 10.060 8.970 ( 0.000 0.000 -9.632) 9.632 8.985 ( 0.000 0.000 -6.868) 6.868 9.776 ( 0.000 0.000 20.911) 20.911 9.894 ( 0.000 0.000 8.605) 8.605 10.024 ( 0.000 0.000 -5.440) 5.440 10.206 ( 0.000 0.000 -22.997) 22.997 10.720 ( 0.000 0.000 11.624) 11.624 10.860 ( 0.000 0.000 0.249) 0.249 10.902 ( 0.000 0.000 -7.889) 7.889 10.907 ( 0.000 0.000 -3.273) 3.273 11.555 ( 0.000 0.000 3.732) 3.732 11.581 ( 0.000 0.000 3.201) 3.201 11.609 ( 0.000 0.000 0.584) 0.584 11.614 ( 0.000 0.000 -1.535) 1.535 11.644 ( 0.000 0.000 0.762) 0.762 11.700 ( 0.000 0.000 -5.287) 5.287 12.339 ( 0.000 0.000 9.766) 9.766 12.468 ( 0.000 0.000 6.563) 6.563 12.563 ( 0.000 0.000 -6.676) 6.676 12.585 ( 0.000 0.000 -15.248) 15.248 13.207 ( 0.000 0.000 6.783) 6.783 13.462 ( 0.000 0.000 -13.878) 13.878 13.773 ( 0.000 0.000 3.890) 3.890 13.890 ( 0.000 0.000 -5.230) 5.230 14.060 ( 0.000 0.000 0.499) 0.499 14.072 ( 0.000 0.000 -1.213) 1.213 14.614 ( 0.000 0.000 3.417) 3.417 14.635 ( 0.000 0.000 1.122) 1.122 15.103 ( 0.000 0.000 6.696) 6.696 15.179 ( 0.000 0.000 -1.205) 1.205 15.964 ( 0.000 0.000 6.637) 6.637 16.074 ( 0.000 0.000 -4.804) 4.804 20.876 ( 0.000 0.000 0.858) 0.858 20.895 ( 0.000 0.000 -1.018) 1.018 22.840 ( 0.000 0.000 3.939) 3.939 22.904 ( 0.000 0.000 -2.354) 2.354 23.210 ( 0.000 0.000 5.520) 5.520 23.321 ( 0.000 0.000 -5.711) 5.711 23.538 ( 0.000 0.000 2.508) 2.508 23.568 ( 0.000 0.000 0.028) 0.028 23.569 ( 0.000 0.000 0.012) 0.012 23.591 ( 0.000 0.000 -3.015) 3.015 23.639 ( 0.000 0.000 1.506) 1.506 23.670 ( 0.000 0.000 -1.618) 1.618 25.600 ( 0.000 0.000 2.023) 2.023 25.651 ( 0.000 0.000 -3.473) 3.473 26.376 ( 0.000 0.000 3.471) 3.471 26.449 ( 0.000 0.000 -3.931) 3.931 26.822 ( 0.000 0.000 4.061) 4.061 26.888 ( 0.000 0.000 -2.650) 2.650 28.322 ( 0.000 0.000 5.142) 5.142 28.429 ( 0.000 0.000 -5.960) 5.960 ======================= Grid point 190 (62/80) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 4.791 0.000 7.411) 8.824 1.763 ( 2.104 0.000 -5.367) 5.764 2.138 ( -3.927 0.000 29.928) 30.185 2.240 ( 6.378 0.000 22.406) 23.296 2.624 ( -6.838 0.000 -18.983) 20.177 2.684 ( -0.175 0.000 -21.498) 21.499 3.074 ( 5.246 0.000 16.711) 17.515 3.271 ( -1.546 0.000 6.156) 6.347 3.351 ( 2.343 0.000 -12.984) 13.194 3.387 ( -0.581 0.000 -5.114) 5.146 3.695 ( -1.589 0.000 8.484) 8.632 3.861 ( -3.677 0.000 -8.380) 9.151 3.888 ( -12.021 0.000 7.492) 14.164 4.046 ( -11.407 0.000 -8.920) 14.480 4.296 ( 4.850 0.000 11.532) 12.511 4.533 ( 7.082 0.000 -8.904) 11.377 4.907 ( 7.182 0.000 8.330) 10.999 4.939 ( -6.422 0.000 -2.500) 6.891 4.964 ( -11.409 0.000 -6.780) 13.272 5.074 ( 7.883 0.000 -8.939) 11.918 5.378 ( -1.131 0.000 -3.821) 3.985 5.439 ( 4.033 0.000 -9.636) 10.445 6.220 ( -5.594 0.000 8.438) 10.124 6.334 ( -13.452 0.000 4.574) 14.208 6.343 ( -11.748 0.000 -4.164) 12.464 6.451 ( -8.470 0.000 -7.120) 11.065 6.877 ( 1.112 0.000 1.952) 2.247 6.912 ( 0.998 0.000 -1.617) 1.900 6.973 ( -2.817 0.000 14.098) 14.377 7.200 ( -6.723 0.000 -8.776) 11.055 7.285 ( 7.511 0.000 9.060) 11.768 7.375 ( 2.354 0.000 3.522) 4.236 7.399 ( 5.644 0.000 -0.141) 5.646 7.430 ( 0.974 0.000 -1.674) 1.936 7.486 ( 2.415 0.000 0.955) 2.596 7.533 ( 4.235 0.000 -4.288) 6.027 7.666 ( 10.074 0.000 3.468) 10.654 7.801 ( 15.102 0.000 -8.638) 17.398 8.525 ( 0.716 0.000 4.058) 4.121 8.588 ( -0.066 0.000 -2.577) 2.578 8.636 ( -2.988 0.000 10.613) 11.026 8.760 ( 2.466 0.000 3.971) 4.674 8.883 ( 4.136 0.000 8.077) 9.074 8.955 ( 2.455 0.000 -4.463) 5.093 9.022 ( 3.305 0.000 -5.971) 6.825 9.063 ( 7.986 0.000 -10.162) 12.924 9.671 ( -9.457 0.000 20.595) 22.662 9.909 ( 1.779 0.000 8.196) 8.387 10.050 ( 2.428 0.000 -6.204) 6.662 10.105 ( -10.122 0.000 -23.902) 25.957 10.724 ( 0.133 0.000 11.882) 11.882 10.856 ( -0.072 0.000 2.481) 2.482 10.914 ( 0.934 0.000 -8.364) 8.416 10.935 ( 2.555 0.000 -4.430) 5.114 11.505 ( -6.852 0.000 3.390) 7.645 11.543 ( -5.145 0.000 -0.710) 5.194 11.610 ( 5.069 0.000 3.886) 6.387 11.664 ( 4.481 0.000 -0.763) 4.545 11.668 ( 1.452 0.000 1.699) 2.235 11.728 ( 1.490 0.000 -4.399) 4.644 12.289 ( -13.937 0.000 5.816) 15.102 12.359 ( 1.977 0.000 7.837) 8.083 12.448 ( -12.567 0.000 -11.133) 16.789 12.576 ( -0.888 0.000 -14.156) 14.183 13.256 ( 3.973 0.000 11.198) 11.882 13.502 ( 2.095 0.000 -9.080) 9.318 13.753 ( -1.637 0.000 0.393) 1.683 13.833 ( -5.510 0.000 -4.438) 7.075 14.080 ( 2.702 0.000 0.428) 2.736 14.101 ( 2.992 0.000 -2.083) 3.645 14.609 ( -0.523 0.000 3.369) 3.410 14.629 ( -0.549 0.000 1.081) 1.212 15.018 ( -6.005 0.000 12.085) 13.495 15.190 ( -0.622 0.000 -5.985) 6.017 15.944 ( -2.423 0.000 6.108) 6.571 15.991 ( -5.377 0.000 1.843) 5.684 21.144 ( 25.322 0.000 4.339) 25.691 21.267 ( 32.203 0.000 -9.116) 33.469 22.806 ( -3.108 0.000 2.968) 4.297 22.858 ( -4.322 0.000 -2.040) 4.780 23.269 ( 5.416 0.000 6.044) 8.115 23.398 ( 6.939 0.000 -7.203) 10.002 23.548 ( 1.778 0.000 2.747) 3.272 23.570 ( 0.176 0.000 0.136) 0.222 23.572 ( 0.290 0.000 -0.078) 0.301 23.606 ( 1.744 0.000 -3.096) 3.553 23.636 ( -0.361 0.000 1.385) 1.432 23.664 ( -0.592 0.000 -1.505) 1.617 25.566 ( -3.387 0.000 2.204) 4.042 25.629 ( -2.410 0.000 -4.278) 4.910 26.354 ( -2.118 0.000 3.245) 3.875 26.427 ( -2.488 0.000 -4.266) 4.938 26.863 ( 4.214 0.000 3.150) 5.261 26.916 ( 3.005 0.000 -2.263) 3.762 28.266 ( -5.631 0.000 4.397) 7.144 28.357 ( -7.235 0.000 -4.911) 8.744 ======================= Grid point 191 (63/80) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 9.469 0.000 4.926) 10.674 1.869 ( 9.086 0.000 -4.607) 10.187 2.179 ( 8.821 0.000 23.029) 24.661 2.315 ( -0.092 0.000 14.343) 14.343 2.547 ( -0.119 0.000 -14.535) 14.536 2.626 ( -6.895 0.000 -15.258) 16.744 3.139 ( -0.708 0.000 9.810) 9.835 3.265 ( 1.645 0.000 6.217) 6.431 3.328 ( -6.586 0.000 -7.861) 10.255 3.374 ( -0.513 0.000 -4.224) 4.255 3.682 ( 0.400 0.000 5.304) 5.319 3.709 ( -3.173 0.000 1.124) 3.367 3.788 ( -3.478 0.000 -5.241) 6.290 3.836 ( -7.797 0.000 -10.985) 13.471 4.406 ( 5.905 0.000 16.619) 17.637 4.614 ( 0.091 0.000 -0.345) 0.357 4.762 ( -9.158 0.000 -6.831) 11.425 4.883 ( -1.927 0.000 -17.915) 18.018 5.091 ( 11.692 0.000 9.240) 14.903 5.275 ( 12.724 0.000 -9.712) 16.006 5.298 ( -1.313 0.000 9.102) 9.196 5.491 ( 1.463 0.000 -11.513) 11.605 6.028 ( -17.648 0.000 8.685) 19.669 6.070 ( -10.590 0.000 3.065) 11.025 6.104 ( -12.519 0.000 -0.957) 12.556 6.214 ( -15.337 0.000 -9.893) 18.251 6.921 ( -2.152 0.000 8.021) 8.305 6.941 ( 4.596 0.000 2.374) 5.173 6.980 ( 4.894 0.000 -1.454) 5.106 7.067 ( -6.738 0.000 -6.529) 9.382 7.398 ( 5.266 0.000 5.735) 7.786 7.409 ( 1.170 0.000 2.457) 2.721 7.437 ( 0.038 0.000 -0.287) 0.289 7.488 ( 3.573 0.000 -1.400) 3.837 7.554 ( 3.944 0.000 1.975) 4.411 7.605 ( 2.796 0.000 -3.018) 4.114 7.827 ( 8.872 0.000 14.825) 17.277 8.151 ( 15.899 0.000 -17.336) 23.523 8.545 ( 1.235 0.000 2.092) 2.429 8.569 ( -4.275 0.000 8.718) 9.710 8.587 ( -0.051 0.000 -2.261) 2.262 8.727 ( -5.231 0.000 -3.803) 6.467 8.978 ( 5.214 0.000 7.560) 9.183 9.084 ( 2.588 0.000 -2.949) 3.924 9.110 ( 9.201 0.000 3.280) 9.768 9.195 ( 3.806 0.000 -0.145) 3.809 9.570 ( 4.662 0.000 6.686) 8.151 9.860 ( -13.414 0.000 -21.764) 25.566 9.965 ( 3.991 0.000 5.634) 6.904 10.099 ( 2.130 0.000 -7.398) 7.699 10.709 ( -2.108 0.000 11.498) 11.690 10.872 ( 2.225 0.000 6.709) 7.068 10.907 ( -2.767 0.000 -9.195) 9.602 10.999 ( 3.965 0.000 -5.112) 6.469 11.349 ( -8.870 0.000 5.201) 10.283 11.427 ( -6.856 0.000 -2.707) 7.371 11.692 ( 1.129 0.000 1.406) 1.803 11.706 ( 3.830 0.000 3.692) 5.319 11.741 ( -0.053 0.000 -3.349) 3.349 11.756 ( 4.830 0.000 0.056) 4.831 12.038 ( -10.974 0.000 3.166) 11.421 12.172 ( -13.565 0.000 -9.610) 16.625 12.407 ( 2.926 0.000 3.356) 4.452 12.552 ( -1.637 0.000 -11.119) 11.239 13.308 ( 1.241 0.000 11.012) 11.082 13.494 ( -3.109 0.000 -5.169) 6.032 13.711 ( -2.938 0.000 -0.428) 2.969 13.744 ( -1.886 0.000 -1.937) 2.704 14.150 ( 3.968 0.000 -0.033) 3.969 14.180 ( 4.567 0.000 -3.638) 5.839 14.598 ( -0.487 0.000 3.065) 3.103 14.615 ( -0.847 0.000 1.180) 1.453 14.933 ( -2.179 0.000 13.752) 13.924 15.141 ( -4.357 0.000 -7.738) 8.881 15.883 ( -1.841 0.000 9.408) 9.586 15.943 ( -1.301 0.000 2.814) 3.100 21.700 ( 29.117 0.000 6.895) 29.922 21.867 ( 26.537 0.000 -10.508) 28.542 22.735 ( -4.202 0.000 1.374) 4.421 22.760 ( -5.501 0.000 -1.039) 5.599 23.374 ( 4.287 0.000 6.292) 7.613 23.470 ( -0.274 0.000 -1.774) 1.795 23.575 ( 0.362 0.000 0.274) 0.453 23.579 ( 0.438 0.000 -0.127) 0.456 23.627 ( -0.473 0.000 1.007) 1.112 23.649 ( -0.931 0.000 -1.195) 1.515 23.674 ( 7.566 0.000 -1.925) 7.807 23.691 ( 10.849 0.000 -5.024) 11.956 25.480 ( -5.135 0.000 1.269) 5.290 25.556 ( -5.157 0.000 -6.159) 8.033 26.307 ( -2.381 0.000 1.754) 2.957 26.359 ( -4.122 0.000 -3.507) 5.412 26.974 ( 6.781 0.000 1.248) 6.895 27.001 ( 5.546 0.000 -1.318) 5.701 28.125 ( -8.315 0.000 2.622) 8.719 28.178 ( -10.454 0.000 -2.695) 10.795 ======================= Grid point 192 (64/80) ======================= q-point: ( 0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 11.144 0.000 2.714) 11.470 2.066 ( 7.069 0.000 -8.079) 10.735 2.252 ( -2.019 0.000 10.287) 10.484 2.417 ( 13.262 0.000 13.668) 19.044 2.424 ( -13.032 0.000 -7.107) 14.844 2.568 ( -0.954 0.000 -0.522) 1.088 3.060 ( -3.597 0.000 0.328) 3.611 3.134 ( -10.206 0.000 -5.212) 11.460 3.323 ( 3.365 0.000 2.380) 4.121 3.365 ( -0.910 0.000 -1.573) 1.817 3.702 ( 1.454 0.000 2.005) 2.477 3.735 ( -2.106 0.000 -1.239) 2.444 3.757 ( 4.685 0.000 -6.791) 8.250 3.791 ( 0.870 0.000 -10.114) 10.152 4.493 ( 3.510 0.000 11.758) 12.271 4.573 ( -4.029 0.000 4.226) 5.839 4.650 ( -1.147 0.000 -5.267) 5.390 4.738 ( -9.488 0.000 -9.426) 13.375 5.346 ( 14.647 0.000 9.882) 17.668 5.454 ( 13.696 0.000 2.053) 13.849 5.529 ( 9.557 0.000 -7.545) 12.176 5.555 ( 5.277 0.000 -7.909) 9.508 5.708 ( -11.238 0.000 7.637) 13.587 5.834 ( -11.842 0.000 1.380) 11.922 5.862 ( -12.258 0.000 -1.421) 12.340 5.898 ( -16.864 0.000 -10.203) 19.710 6.906 ( 0.856 0.000 1.864) 2.051 6.957 ( -4.418 0.000 -3.170) 5.438 7.022 ( 3.259 0.000 3.480) 4.768 7.045 ( 1.161 0.000 1.648) 2.016 7.426 ( 0.613 0.000 1.514) 1.633 7.434 ( -0.304 0.000 0.650) 0.717 7.494 ( 3.969 0.000 -0.688) 4.029 7.528 ( 0.397 0.000 -2.955) 2.981 7.615 ( 2.224 0.000 1.253) 2.553 7.634 ( 0.270 0.000 -0.588) 0.647 8.034 ( 13.249 0.000 21.629) 25.365 8.280 ( -7.338 0.000 9.335) 11.874 8.508 ( 2.859 0.000 -8.100) 8.589 8.568 ( 1.078 0.000 0.136) 1.087 8.583 ( -0.451 0.000 -1.365) 1.438 8.611 ( -5.799 0.000 -5.180) 7.776 9.065 ( 3.540 0.000 5.423) 6.476 9.105 ( -0.543 0.000 1.556) 1.648 9.153 ( 3.500 0.000 -6.077) 7.013 9.269 ( -4.036 0.000 -12.896) 13.512 9.733 ( 4.055 0.000 -2.090) 4.562 9.751 ( 5.524 0.000 -0.452) 5.542 10.050 ( 4.350 0.000 0.029) 4.350 10.109 ( -1.386 0.000 -5.663) 5.830 10.672 ( 0.714 0.000 4.778) 4.831 10.785 ( -8.921 0.000 -6.461) 11.015 10.951 ( 5.903 0.000 9.189) 10.922 11.051 ( -1.273 0.000 2.227) 2.565 11.216 ( -1.834 0.000 0.217) 1.847 11.292 ( -6.766 0.000 -4.582) 8.172 11.713 ( 1.053 0.000 0.028) 1.053 11.732 ( -0.853 0.000 -1.749) 1.946 11.762 ( 2.946 0.000 1.809) 3.457 11.817 ( -0.716 0.000 -3.636) 3.706 11.907 ( -0.636 0.000 4.150) 4.198 11.981 ( -6.623 0.000 -3.219) 7.364 12.464 ( 2.858 0.000 -1.794) 3.374 12.514 ( -2.304 0.000 -6.776) 7.158 13.333 ( 2.177 0.000 3.818) 4.395 13.404 ( -5.041 0.000 -2.960) 5.846 13.694 ( 0.784 0.000 2.620) 2.735 13.718 ( -1.399 0.000 0.615) 1.528 14.217 ( 2.663 0.000 -0.333) 2.684 14.237 ( 0.908 0.000 -2.621) 2.774 14.593 ( 0.050 0.000 2.410) 2.411 14.600 ( -0.643 0.000 1.662) 1.782 14.945 ( 3.279 0.000 7.195) 7.907 15.038 ( -5.810 0.000 -2.156) 6.197 15.884 ( 1.406 0.000 7.441) 7.573 15.916 ( -1.612 0.000 4.099) 4.404 22.149 ( 15.701 0.000 3.383) 16.061 22.218 ( 9.035 0.000 -3.692) 9.760 22.651 ( -3.711 0.000 0.709) 3.778 22.660 ( -4.355 0.000 -0.194) 4.360 23.420 ( 1.260 0.000 3.616) 3.829 23.445 ( -1.531 0.000 1.350) 2.041 23.582 ( 0.372 0.000 0.363) 0.520 23.586 ( 0.127 0.000 0.102) 0.162 23.622 ( 0.057 0.000 0.203) 0.211 23.631 ( -0.824 0.000 -0.693) 1.076 23.832 ( 7.530 0.000 -0.038) 7.530 23.872 ( 4.590 0.000 -4.293) 6.285 25.406 ( -1.314 0.000 -2.952) 3.231 25.449 ( -5.096 0.000 -6.815) 8.509 26.276 ( -0.609 0.000 -0.173) 0.633 26.292 ( -2.396 0.000 -1.877) 3.044 27.090 ( 4.247 0.000 0.176) 4.251 27.099 ( 3.366 0.000 -0.566) 3.414 27.990 ( -4.321 0.000 0.791) 4.393 28.006 ( -6.039 0.000 -0.717) 6.082 ======================= Grid point 196 (65/80) ======================= q-point: ( 0.00 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.000 22.773 6.787) 23.763 1.936 ( 0.000 13.127 -1.060) 13.170 2.287 ( 0.000 11.309 21.733) 24.499 2.310 ( 0.000 9.305 28.868) 30.331 2.732 ( 0.000 3.316 -16.723) 17.048 2.885 ( 0.000 11.046 -27.022) 29.193 3.158 ( 0.000 15.785 5.131) 16.598 3.202 ( 0.000 1.535 -2.436) 2.879 3.526 ( 0.000 10.344 0.132) 10.345 3.528 ( 0.000 16.260 -0.525) 16.268 3.889 ( 0.000 13.850 9.106) 16.575 4.037 ( 0.000 11.720 -6.044) 13.187 4.073 ( 0.000 -1.428 14.487) 14.557 4.141 ( 0.000 4.323 2.125) 4.818 4.230 ( 0.000 1.584 -5.825) 6.037 4.390 ( 0.000 0.664 -15.386) 15.400 4.845 ( 0.000 1.691 6.208) 6.434 4.966 ( 0.000 -0.086 -4.542) 4.543 5.094 ( 0.000 1.292 0.065) 1.293 5.153 ( 0.000 1.331 -3.101) 3.374 5.385 ( 0.000 8.822 -5.938) 10.634 5.444 ( 0.000 4.354 -12.548) 13.282 6.119 ( 0.000 -10.925 7.271) 13.123 6.234 ( 0.000 -12.050 -5.542) 13.263 6.630 ( 0.000 4.956 8.783) 10.085 6.756 ( 0.000 8.714 -3.254) 9.301 6.801 ( 0.000 -5.652 7.246) 9.189 6.888 ( 0.000 -0.044 -3.218) 3.219 7.072 ( 0.000 2.112 13.165) 13.333 7.145 ( 0.000 -2.575 3.970) 4.732 7.165 ( 0.000 -11.267 0.850) 11.299 7.293 ( 0.000 -0.824 -0.282) 0.871 7.343 ( 0.000 -3.861 -2.472) 4.584 7.347 ( 0.000 0.951 -10.953) 10.994 7.474 ( 0.000 4.167 -0.194) 4.172 7.476 ( 0.000 6.366 -0.383) 6.378 7.714 ( 0.000 13.013 4.689) 13.832 7.834 ( 0.000 10.550 -6.134) 12.204 8.565 ( 0.000 4.105 5.300) 6.704 8.650 ( 0.000 0.671 5.394) 5.436 8.700 ( 0.000 3.348 9.759) 10.317 8.715 ( 0.000 4.914 -3.151) 5.837 8.922 ( 0.000 -2.513 -9.423) 9.753 8.933 ( 0.000 6.442 1.970) 6.737 8.964 ( 0.000 3.871 -3.452) 5.186 9.089 ( 0.000 8.545 -6.203) 10.559 9.677 ( 0.000 -9.258 14.572) 17.264 9.909 ( 0.000 0.578 12.796) 12.809 9.912 ( 0.000 -13.340 -9.587) 16.428 10.172 ( 0.000 -0.622 -14.022) 14.035 10.631 ( 0.000 -4.821 7.961) 9.307 10.770 ( 0.000 -4.651 -7.204) 8.575 10.936 ( 0.000 3.498 2.795) 4.478 11.008 ( 0.000 0.989 -3.580) 3.714 11.323 ( 0.000 -14.675 3.768) 15.151 11.396 ( 0.000 -13.667 -3.244) 14.046 11.551 ( 0.000 -4.033 4.374) 5.950 11.625 ( 0.000 0.907 -3.165) 3.293 11.871 ( 0.000 12.525 1.930) 12.673 11.936 ( 0.000 14.400 -4.119) 14.978 12.061 ( 0.000 -23.689 5.901) 24.413 12.188 ( 0.000 -19.965 -5.272) 20.649 12.620 ( 0.000 4.245 -2.373) 4.864 12.689 ( 0.000 6.782 -7.780) 10.321 13.250 ( 0.000 3.543 9.462) 10.103 13.492 ( 0.000 2.482 -10.646) 10.932 13.913 ( 0.000 3.715 1.139) 3.886 13.984 ( 0.000 -6.281 -3.444) 7.164 14.037 ( 0.000 7.374 1.039) 7.447 14.067 ( 0.000 13.945 -2.324) 14.138 14.679 ( 0.000 5.876 2.499) 6.385 14.692 ( 0.000 3.469 1.023) 3.617 15.095 ( 0.000 0.374 7.168) 7.178 15.175 ( 0.000 -0.187 -1.168) 1.183 15.943 ( 0.000 -2.125 6.463) 6.803 16.043 ( 0.000 -3.102 -3.653) 4.792 20.876 ( 0.000 -0.050 0.803) 0.805 20.893 ( 0.000 -0.175 -0.957) 0.972 22.833 ( 0.000 -0.371 4.260) 4.276 22.895 ( 0.000 -1.194 -1.685) 2.065 23.091 ( 0.000 -9.568 1.284) 9.654 23.102 ( 0.000 -15.480 1.124) 15.520 23.526 ( 0.000 -0.506 2.593) 2.642 23.579 ( 0.000 -0.227 -2.475) 2.486 23.602 ( 0.000 2.099 -0.256) 2.115 23.613 ( 0.000 2.621 -0.916) 2.776 23.741 ( 0.000 6.206 1.664) 6.425 23.798 ( 0.000 9.439 -4.484) 10.450 25.702 ( 0.000 9.526 -0.380) 9.533 25.723 ( 0.000 7.019 -2.244) 7.369 26.413 ( 0.000 3.732 3.874) 5.379 26.498 ( 0.000 4.769 -4.776) 6.750 26.879 ( 0.000 5.943 3.479) 6.887 26.936 ( 0.000 4.963 -2.268) 5.457 28.305 ( 0.000 -1.676 4.333) 4.646 28.393 ( 0.000 -3.597 -4.599) 5.839 ======================= Grid point 197 (66/80) ======================= q-point: ( 0.14 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 2.724 19.435 7.435) 20.986 1.981 ( 5.122 15.713 -1.917) 16.638 2.185 ( -5.563 9.320 18.138) 21.138 2.372 ( 2.729 9.090 23.136) 25.007 2.635 ( -5.238 3.769 -13.596) 15.049 2.938 ( 3.106 16.550 -23.686) 29.061 3.132 ( -2.765 7.940 3.114) 8.966 3.191 ( -1.386 -1.768 -3.532) 4.186 3.511 ( 1.657 15.265 8.007) 17.317 3.637 ( 6.816 15.485 -5.141) 17.682 3.839 ( -4.422 14.344 6.131) 16.214 3.907 ( -11.052 7.433 1.909) 13.455 4.005 ( -5.078 7.316 1.549) 9.039 4.051 ( -9.068 2.957 -3.649) 10.212 4.294 ( 5.354 4.598 5.595) 9.007 4.488 ( 8.557 -2.155 -9.902) 13.263 4.825 ( -2.929 -2.120 2.152) 4.207 4.915 ( -6.623 -0.983 -7.853) 10.319 5.038 ( 0.827 3.967 4.879) 6.342 5.168 ( 3.522 4.335 -7.509) 9.358 5.393 ( -3.603 2.354 -2.380) 4.918 5.473 ( 2.072 4.239 -9.683) 10.771 6.057 ( -6.014 -10.731 5.309) 13.398 6.142 ( -8.776 -10.512 -3.577) 14.154 6.468 ( -13.367 3.258 7.477) 15.659 6.576 ( -11.392 5.475 -3.272) 13.056 6.867 ( 2.336 -3.810 2.675) 5.209 6.900 ( 0.609 0.111 -1.597) 1.713 7.017 ( -4.723 2.713 9.880) 11.282 7.156 ( -0.365 -4.415 0.439) 4.451 7.226 ( -0.156 -2.191 -0.789) 2.334 7.297 ( 4.556 -4.220 -3.137) 6.958 7.399 ( 9.879 -0.986 8.324) 12.956 7.466 ( 0.983 3.359 0.133) 3.503 7.480 ( 0.759 4.344 -0.084) 4.411 7.618 ( 14.741 1.859 -10.997) 18.485 7.774 ( 6.189 11.484 5.571) 14.185 7.896 ( 7.270 8.813 -5.967) 12.889 8.572 ( 0.673 4.082 4.563) 6.159 8.654 ( -2.763 1.759 9.147) 9.716 8.673 ( 0.745 5.417 -1.270) 5.613 8.741 ( 1.077 1.315 1.054) 2.000 8.932 ( 1.166 -0.747 -5.943) 6.102 8.945 ( 2.447 2.250 3.189) 4.606 9.039 ( 7.064 4.610 -4.647) 9.630 9.117 ( 2.910 6.386 -6.190) 9.358 9.616 ( -5.596 -5.794 15.981) 17.896 9.885 ( -1.985 -11.112 -6.752) 13.154 9.905 ( -0.908 -3.862 5.908) 7.116 10.139 ( -2.828 1.784 -13.870) 14.267 10.641 ( 0.638 -4.780 9.034) 10.241 10.796 ( 2.271 -3.725 -6.686) 7.983 10.942 ( 0.494 3.154 2.498) 4.053 11.018 ( 1.056 1.275 -3.428) 3.807 11.349 ( 1.752 -14.636 3.342) 15.115 11.405 ( -0.302 -12.398 -1.901) 12.546 11.506 ( -2.158 -5.505 3.450) 6.846 11.564 ( -5.072 0.237 -2.954) 5.875 11.898 ( 1.592 11.434 2.193) 11.751 11.951 ( 0.319 10.238 -2.366) 10.513 12.064 ( 0.222 -18.374 3.742) 18.753 12.154 ( -2.968 -16.157 -3.843) 16.870 12.530 ( -6.833 2.655 -4.498) 8.601 12.589 ( -9.518 6.893 -9.399) 15.048 13.311 ( 4.801 4.204 10.589) 12.363 13.525 ( 2.200 2.192 -7.707) 8.309 13.840 ( -5.742 3.944 1.257) 7.079 13.908 ( -6.942 2.809 -3.483) 8.260 14.099 ( 5.034 4.196 -1.021) 6.633 14.107 ( 4.467 5.943 -1.324) 7.552 14.657 ( -1.979 4.369 2.664) 5.487 14.668 ( -2.640 3.341 1.606) 4.551 15.051 ( -2.643 3.771 10.494) 11.460 15.200 ( 1.075 0.950 -4.984) 5.186 15.917 ( -3.122 -2.726 5.744) 7.083 15.957 ( -5.985 -3.423 2.292) 7.265 21.138 ( 24.960 -0.549 3.870) 25.264 21.248 ( 31.336 -1.873 -8.079) 32.415 22.795 ( -3.183 -0.989 3.177) 4.605 22.845 ( -4.303 -1.455 -1.665) 4.838 23.142 ( 4.715 -10.873 2.224) 12.058 23.167 ( 5.275 -14.239 0.164) 15.186 23.523 ( -0.023 -1.132 2.911) 3.123 23.575 ( -0.210 -0.335 -2.068) 2.106 23.614 ( 1.164 2.425 -0.242) 2.700 23.625 ( 1.380 2.083 -1.284) 2.809 23.745 ( 0.352 6.571 1.969) 6.868 23.807 ( 1.000 9.349 -4.831) 10.571 25.670 ( -3.227 9.796 0.079) 10.314 25.704 ( -2.126 7.381 -3.038) 8.260 26.386 ( -2.486 3.320 3.556) 5.464 26.468 ( -3.151 3.991 -4.718) 6.937 26.919 ( 4.071 5.791 2.494) 7.505 26.963 ( 2.896 4.834 -1.885) 5.942 28.249 ( -5.641 -1.672 3.674) 6.936 28.323 ( -7.002 -3.355 -3.762) 8.627 ======================= Grid point 198 (67/80) ======================= q-point: ( 0.29 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 5.009 11.556 7.284) 14.549 2.091 ( 1.762 13.113 -8.041) 15.483 2.188 ( 9.763 10.839 13.184) 19.663 2.382 ( 1.159 3.700 3.832) 5.452 2.659 ( 4.890 15.362 5.605) 17.068 2.920 ( -6.572 20.911 -10.390) 24.257 3.073 ( -2.533 2.721 0.617) 3.769 3.168 ( 0.292 -7.461 -9.740) 12.272 3.555 ( 1.398 14.954 9.931) 18.006 3.694 ( -8.669 16.842 0.393) 18.946 3.747 ( 1.718 16.189 -3.074) 16.567 3.781 ( 0.994 6.015 -3.920) 7.248 3.855 ( -8.459 6.007 -3.065) 10.818 3.909 ( -4.710 9.865 -3.282) 11.414 4.423 ( 6.523 4.152 15.043) 16.914 4.587 ( 0.333 -2.219 -0.053) 2.245 4.738 ( -7.085 -1.095 -4.980) 8.729 4.855 ( 2.687 -0.159 -15.242) 15.478 5.148 ( 8.836 3.254 6.432) 11.403 5.262 ( -4.171 -1.491 6.379) 7.766 5.296 ( 7.815 0.084 -5.435) 9.520 5.481 ( -0.100 0.477 -12.265) 12.274 5.885 ( -11.930 -8.485 4.043) 15.188 5.950 ( -10.566 -9.185 -2.144) 14.164 6.188 ( -15.437 4.305 6.524) 17.303 6.326 ( -15.090 6.565 -7.209) 17.967 6.904 ( -0.216 -3.986 6.251) 7.417 6.923 ( 2.014 -3.186 1.400) 4.021 6.952 ( -0.120 -2.125 1.197) 2.442 7.053 ( -6.733 -2.067 -5.347) 8.843 7.295 ( 4.646 -4.253 4.671) 7.842 7.374 ( 3.027 -2.547 -2.887) 4.897 7.478 ( 0.762 5.024 0.417) 5.099 7.493 ( 0.782 4.222 -0.488) 4.322 7.618 ( 11.359 3.697 11.537) 16.607 7.790 ( 5.084 11.882 -6.091) 14.287 7.916 ( 7.029 8.558 8.021) 13.674 8.134 ( 14.610 -0.664 -12.169) 19.026 8.561 ( -4.147 2.885 7.388) 8.950 8.574 ( -4.712 0.363 3.734) 6.023 8.698 ( 1.811 8.219 -5.096) 9.839 8.724 ( -1.181 0.206 -0.825) 1.455 8.948 ( -1.750 -1.477 7.047) 7.409 9.056 ( 6.148 -3.898 -2.919) 7.843 9.121 ( 2.609 2.921 1.628) 4.241 9.242 ( 8.488 5.178 -6.638) 11.955 9.561 ( 3.078 -0.635 8.963) 9.498 9.797 ( -5.610 -5.844 -12.984) 15.304 9.935 ( 4.151 -4.123 5.103) 7.764 10.092 ( -1.900 -0.849 -11.129) 11.322 10.631 ( -2.305 -5.727 10.844) 12.478 10.818 ( -1.850 -4.980 -7.528) 9.214 10.945 ( 0.345 2.496 5.796) 6.320 11.059 ( 3.604 3.448 -3.792) 6.266 11.310 ( -4.576 -4.860 5.041) 8.365 11.404 ( -0.815 -5.093 -4.159) 6.626 11.493 ( -0.206 -5.749 1.947) 6.073 11.523 ( 2.413 -10.772 0.198) 11.041 11.872 ( -4.926 -2.873 0.927) 5.778 11.917 ( -4.672 1.645 -2.574) 5.582 12.046 ( -0.387 5.740 3.570) 6.770 12.132 ( 0.059 -6.831 -5.552) 8.803 12.395 ( -7.392 5.245 -4.816) 10.264 12.429 ( -4.489 -6.597 -8.386) 11.576 13.378 ( 1.779 5.755 9.391) 11.156 13.532 ( -1.907 3.463 -4.368) 5.892 13.741 ( -3.988 2.088 0.989) 4.609 13.781 ( -4.758 3.438 -1.470) 6.051 14.195 ( 5.728 3.342 1.030) 6.711 14.241 ( 7.860 5.296 -4.461) 10.475 14.594 ( -4.752 1.235 3.523) 6.043 14.611 ( -2.815 2.164 1.636) 3.910 15.025 ( 0.039 7.738 10.648) 13.163 15.191 ( -2.216 4.359 -6.167) 7.871 15.833 ( -2.959 -4.985 9.502) 11.131 15.896 ( -2.069 -4.665 2.537) 5.699 21.693 ( 29.373 -0.694 6.315) 30.052 21.851 ( 27.459 -1.691 -10.235) 29.353 22.729 ( -3.651 -0.609 1.594) 4.030 22.755 ( -4.838 -0.733 -0.862) 4.968 23.224 ( 3.019 -11.160 2.156) 11.761 23.257 ( 2.776 -14.619 -1.009) 14.915 23.539 ( 1.624 -2.911 2.727) 4.307 23.575 ( 0.125 -0.867 -1.085) 1.394 23.650 ( 2.814 2.621 0.839) 3.936 23.678 ( 4.069 1.239 -1.890) 4.654 23.755 ( 1.099 6.474 2.798) 7.138 23.838 ( 2.315 7.371 -5.927) 9.737 25.588 ( -4.868 10.538 -0.106) 11.609 25.639 ( -4.533 8.342 -4.831) 10.652 26.333 ( -2.713 2.495 1.969) 4.179 26.388 ( -4.612 2.825 -3.627) 6.512 27.025 ( 6.494 5.230 0.817) 8.378 27.046 ( 5.527 4.649 -1.055) 7.299 28.107 ( -8.454 -1.785 2.120) 8.896 28.149 ( -10.248 -2.915 -1.972) 10.836 ======================= Grid point 199 (68/80) ======================= q-point: ( 0.43 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 4.393 2.739 2.626) 5.805 2.085 ( -1.661 0.001 -2.545) 3.039 2.422 ( 11.713 17.589 3.140) 21.364 2.510 ( 11.245 8.638 -1.260) 14.236 2.639 ( -7.893 17.930 6.095) 20.516 2.743 ( -10.331 15.724 -1.966) 18.917 3.075 ( 2.790 4.218 1.780) 5.361 3.148 ( -3.699 7.365 -3.928) 9.130 3.572 ( 2.055 12.612 1.344) 12.849 3.603 ( -1.069 20.541 0.627) 20.578 3.760 ( 1.066 2.017 -5.915) 6.340 3.782 ( -0.416 10.505 0.506) 10.525 3.820 ( 0.357 5.756 -7.926) 9.802 3.838 ( -2.510 9.540 -2.640) 10.212 4.502 ( 2.856 0.102 6.846) 7.419 4.562 ( -2.912 -1.303 2.159) 3.852 4.661 ( 0.610 4.445 0.066) 4.487 4.768 ( -9.226 5.212 -6.049) 12.202 5.332 ( 9.643 -4.279 4.026) 11.292 5.364 ( 9.479 -6.082 3.215) 11.712 5.468 ( 10.074 -3.920 -3.729) 11.435 5.558 ( 6.674 -0.508 -6.777) 9.525 5.651 ( -10.165 -4.395 3.584) 11.640 5.742 ( -10.547 -6.864 -4.721) 13.440 5.907 ( -10.465 5.750 3.467) 12.434 6.014 ( -15.929 6.651 -6.821) 18.561 6.889 ( 0.434 -3.093 2.365) 3.918 6.931 ( -3.366 -3.794 -0.623) 5.110 6.972 ( 1.059 -4.987 0.835) 5.166 6.980 ( 0.580 -5.397 0.257) 5.434 7.371 ( 2.991 -4.513 2.688) 6.045 7.402 ( -0.142 -3.755 -0.088) 3.759 7.493 ( 0.735 5.701 0.198) 5.752 7.501 ( -0.002 5.207 -0.221) 5.212 7.808 ( 6.894 11.716 2.311) 13.788 7.855 ( 1.287 14.761 -2.794) 15.078 8.071 ( 11.082 4.474 17.087) 20.852 8.326 ( -7.332 4.290 9.667) 12.869 8.388 ( 1.429 -6.581 -6.684) 9.489 8.500 ( -4.870 -1.916 -1.617) 5.477 8.728 ( 1.828 7.404 -1.393) 7.752 8.747 ( 1.235 10.124 -3.220) 10.696 8.909 ( 1.096 -9.632 2.099) 9.919 9.012 ( -6.633 -7.114 -6.055) 11.457 9.251 ( 6.598 4.029 1.969) 7.978 9.330 ( -0.565 7.025 -3.664) 7.943 9.691 ( 6.774 -3.922 -3.093) 8.417 9.750 ( 0.148 1.994 -7.303) 7.572 10.043 ( 5.077 -3.240 0.198) 6.026 10.071 ( 0.064 -4.856 -3.747) 6.134 10.575 ( -0.692 -8.885 5.534) 10.490 10.685 ( -9.877 -9.325 -5.531) 14.666 11.006 ( 5.615 4.359 10.499) 12.679 11.106 ( -2.158 4.929 5.539) 7.722 11.261 ( 2.282 4.085 -1.545) 4.927 11.350 ( -4.385 5.238 -6.040) 9.119 11.540 ( 3.127 -10.601 1.884) 11.212 11.564 ( 1.097 -11.037 0.192) 11.093 11.772 ( -3.199 -7.262 -2.454) 8.306 11.801 ( -5.430 -4.469 -4.597) 8.402 12.067 ( 1.823 10.762 1.658) 11.041 12.108 ( -2.248 8.080 -3.014) 8.912 12.333 ( 0.302 -7.796 -3.130) 8.406 12.366 ( -2.580 -10.500 -6.652) 12.695 13.403 ( 1.761 6.391 3.505) 7.499 13.463 ( -4.287 5.478 -2.290) 7.324 13.706 ( 0.173 1.231 2.500) 2.793 13.727 ( -1.717 1.067 0.831) 2.186 14.310 ( 5.838 6.840 2.068) 9.227 14.363 ( 2.889 11.331 -3.490) 12.203 14.511 ( -2.253 -5.778 3.339) 7.044 14.548 ( -3.750 -1.492 -0.353) 4.051 15.053 ( 2.848 8.669 6.518) 11.214 15.124 ( -4.169 7.297 -0.555) 8.422 15.822 ( 1.182 -6.399 7.300) 9.779 15.857 ( -2.078 -6.041 3.655) 7.360 22.148 ( 15.911 -0.006 3.105) 16.211 22.216 ( 9.361 -0.113 -3.893) 10.139 22.657 ( -3.071 0.517 0.907) 3.244 22.667 ( -3.837 0.518 -0.054) 3.872 23.255 ( 0.758 -11.819 0.975) 11.883 23.269 ( -0.640 -12.602 -0.375) 12.624 23.565 ( 0.870 -2.298 0.917) 2.623 23.575 ( -0.204 -1.399 -0.146) 1.421 23.704 ( 2.006 3.974 1.893) 4.838 23.722 ( 0.072 5.120 0.586) 5.154 23.828 ( 5.607 -0.246 0.562) 5.640 23.881 ( 0.806 0.639 -4.269) 4.391 25.517 ( -1.534 10.977 -2.936) 11.466 25.547 ( -4.185 9.908 -5.626) 12.139 26.297 ( -0.686 2.037 -0.037) 2.150 26.315 ( -2.580 2.139 -1.836) 3.822 27.137 ( 4.196 4.856 0.105) 6.419 27.145 ( 3.481 4.782 -0.526) 5.938 27.968 ( -4.634 -2.247 0.612) 5.186 27.979 ( -5.916 -2.673 -0.442) 6.507 ======================= Grid point 203 (69/80) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 0.000 2.970 11.676) 12.048 2.171 ( 0.000 8.523 3.164) 9.091 2.521 ( 0.000 12.255 16.563) 20.603 2.703 ( 0.000 23.664 6.649) 24.580 2.813 ( 0.000 10.544 -6.381) 12.324 2.879 ( 0.000 0.596 -17.835) 17.845 3.352 ( 0.000 4.036 -4.935) 6.375 3.422 ( 0.000 6.248 -11.937) 13.474 3.673 ( 0.000 -3.678 5.193) 6.364 3.797 ( 0.000 7.402 -8.645) 11.381 3.952 ( 0.000 12.625 10.316) 16.304 4.079 ( 0.000 -4.150 -5.832) 7.158 4.303 ( 0.000 13.726 3.587) 14.187 4.358 ( 0.000 11.893 -2.219) 12.098 4.444 ( 0.000 21.194 7.440) 22.462 4.619 ( 0.000 16.878 -8.369) 18.839 4.944 ( 0.000 8.621 2.413) 8.952 4.983 ( 0.000 0.225 0.330) 0.399 5.186 ( 0.000 14.814 0.021) 14.814 5.213 ( 0.000 7.875 0.216) 7.878 5.545 ( 0.000 6.222 -6.817) 9.229 5.551 ( 0.000 6.532 -7.225) 9.739 5.947 ( 0.000 -6.228 6.030) 8.669 6.052 ( 0.000 -6.857 -5.228) 8.622 6.554 ( 0.000 -11.138 16.293) 19.736 6.688 ( 0.000 -6.291 4.398) 7.676 6.721 ( 0.000 -10.403 1.060) 10.457 6.797 ( 0.000 -9.580 -7.457) 12.140 7.104 ( 0.000 3.022 3.567) 4.675 7.111 ( 0.000 3.960 0.165) 3.963 7.154 ( 0.000 1.099 10.056) 10.116 7.278 ( 0.000 0.220 1.299) 1.317 7.335 ( 0.000 2.325 -4.396) 4.972 7.368 ( 0.000 0.362 -9.708) 9.715 7.611 ( 0.000 9.782 1.244) 9.860 7.649 ( 0.000 11.243 -2.743) 11.572 7.951 ( 0.000 11.538 3.533) 12.067 8.041 ( 0.000 11.015 -5.382) 12.260 8.602 ( 0.000 -1.037 5.751) 5.844 8.613 ( 0.000 -2.603 12.109) 12.386 8.774 ( 0.000 -1.008 -10.514) 10.563 8.803 ( 0.000 3.721 -3.016) 4.790 8.957 ( 0.000 10.498 -0.435) 10.507 9.074 ( 0.000 12.145 -4.937) 13.110 9.203 ( 0.000 16.187 -0.195) 16.188 9.293 ( 0.000 12.475 -4.323) 13.203 9.472 ( 0.000 -10.840 7.804) 13.357 9.607 ( 0.000 -15.433 -6.621) 16.793 9.894 ( 0.000 -2.594 14.987) 15.210 10.157 ( 0.000 -2.804 -10.990) 11.342 10.570 ( 0.000 -2.618 6.245) 6.772 10.699 ( 0.000 -4.755 -7.912) 9.230 10.929 ( 0.000 -7.747 4.267) 8.844 10.966 ( 0.000 -3.574 0.346) 3.590 11.032 ( 0.000 -12.059 1.948) 12.216 11.121 ( 0.000 -14.955 -6.016) 16.120 11.383 ( 0.000 -14.466 4.874) 15.265 11.482 ( 0.000 -24.236 -3.390) 24.472 11.729 ( 0.000 -0.569 4.926) 4.959 11.878 ( 0.000 -5.492 -6.654) 8.628 12.066 ( 0.000 3.649 -0.391) 3.670 12.146 ( 0.000 6.377 -6.696) 9.247 12.710 ( 0.000 4.586 0.164) 4.589 12.822 ( 0.000 5.726 -10.028) 11.548 13.344 ( 0.000 7.049 12.272) 14.153 13.545 ( 0.000 2.898 -6.457) 7.078 13.852 ( 0.000 -5.526 -0.938) 5.605 13.859 ( 0.000 -2.120 -1.455) 2.571 14.330 ( 0.000 10.687 1.462) 10.786 14.341 ( 0.000 16.205 -0.583) 16.215 14.680 ( 0.000 -4.345 6.422) 7.754 14.794 ( 0.000 5.076 -5.340) 7.368 15.170 ( 0.000 7.395 4.579) 8.698 15.197 ( 0.000 3.579 1.910) 4.057 15.888 ( 0.000 -3.495 5.864) 6.827 15.967 ( 0.000 -4.697 -1.914) 5.072 20.875 ( 0.000 -0.015 0.617) 0.617 20.889 ( 0.000 -0.274 -0.770) 0.817 22.817 ( 0.000 -7.992 0.883) 8.041 22.821 ( 0.000 -7.511 0.563) 7.533 22.857 ( 0.000 -2.831 6.938) 7.494 22.963 ( 0.000 -2.018 -4.072) 4.544 23.515 ( 0.000 -0.773 1.814) 1.972 23.562 ( 0.000 -1.340 -3.141) 3.414 23.649 ( 0.000 2.192 0.527) 2.254 23.654 ( 0.000 1.652 -0.245) 1.670 23.857 ( 0.000 5.478 2.392) 5.977 23.926 ( 0.000 4.355 -4.942) 6.587 25.884 ( 0.000 8.929 -0.353) 8.936 25.896 ( 0.000 9.608 -2.112) 9.837 26.509 ( 0.000 5.981 4.252) 7.339 26.605 ( 0.000 5.682 -5.401) 7.839 27.039 ( 0.000 10.341 1.303) 10.423 27.068 ( 0.000 8.503 -1.227) 8.591 28.261 ( 0.000 -2.964 2.500) 3.878 28.306 ( 0.000 -5.189 -1.993) 5.559 ======================= Grid point 204 (70/80) ======================= q-point: ( 0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -1.139 3.793 11.574) 12.233 2.182 ( 0.595 3.510 -0.414) 3.584 2.485 ( -2.375 15.775 10.097) 18.880 2.681 ( -7.047 5.804 -7.719) 11.955 2.749 ( 4.361 25.628 10.053) 27.872 2.961 ( 4.800 -1.457 -11.560) 12.601 3.270 ( -5.807 4.528 0.047) 7.363 3.440 ( -0.242 12.276 -16.476) 20.548 3.678 ( 0.638 -1.871 6.306) 6.608 3.836 ( 2.961 4.406 -8.833) 10.305 3.953 ( -1.277 10.389 6.550) 12.348 4.034 ( -4.281 1.526 -4.107) 6.126 4.288 ( -2.354 15.071 0.849) 15.277 4.305 ( -5.189 15.168 -0.438) 16.037 4.450 ( 2.625 11.452 8.168) 14.309 4.616 ( -0.328 13.365 -6.594) 14.907 4.885 ( -4.502 7.522 3.174) 9.323 4.951 ( -4.325 2.976 -3.193) 6.145 5.145 ( 0.957 12.793 4.924) 13.741 5.265 ( 3.633 11.075 -3.481) 12.164 5.465 ( -6.759 4.832 -0.896) 8.357 5.574 ( -0.934 5.160 -9.692) 11.020 5.889 ( -5.764 -5.997 4.655) 9.532 5.978 ( -7.259 -6.284 -4.592) 10.642 6.434 ( -9.754 -6.389 12.488) 17.085 6.614 ( -9.261 -1.057 -3.898) 10.103 6.720 ( -0.343 -12.501 -0.460) 12.515 6.748 ( 2.412 -9.658 -0.843) 9.990 7.059 ( -7.974 0.670 8.870) 11.947 7.171 ( -3.754 2.841 -0.421) 4.726 7.243 ( 2.707 2.368 1.542) 3.913 7.302 ( 7.889 4.459 -4.208) 9.992 7.364 ( 10.193 -2.675 8.628) 13.619 7.520 ( 9.695 1.521 -4.416) 10.762 7.616 ( 1.104 9.421 1.390) 9.587 7.685 ( 5.625 7.213 -6.611) 11.286 8.007 ( 5.395 11.362 2.781) 12.882 8.076 ( 3.633 10.037 -3.912) 11.369 8.595 ( -0.000 -1.947 6.014) 6.321 8.644 ( 1.147 -2.537 9.869) 10.254 8.757 ( -1.826 2.019 -2.467) 3.674 8.800 ( 0.561 1.741 -9.291) 9.470 8.975 ( 1.674 9.227 -0.372) 9.385 9.053 ( -1.613 10.834 -2.338) 11.200 9.238 ( 2.880 13.161 -3.341) 13.881 9.289 ( -0.210 11.405 -5.147) 12.514 9.473 ( 1.404 -7.561 8.676) 11.594 9.609 ( 0.844 -13.142 -6.251) 14.577 9.867 ( -2.700 -2.766 14.147) 14.666 10.142 ( -2.021 -2.547 -12.553) 12.967 10.567 ( -0.800 -3.944 8.434) 9.345 10.732 ( 1.951 -4.701 -8.457) 9.870 10.910 ( -0.946 -9.033 5.915) 10.838 11.007 ( 3.934 -1.222 -2.539) 4.839 11.063 ( 2.847 -12.163 2.534) 12.746 11.140 ( 2.026 -14.430 -5.010) 15.409 11.367 ( -0.850 -10.932 4.408) 11.818 11.458 ( -1.744 -20.987 -4.160) 21.466 11.680 ( -4.888 -3.638 5.900) 8.482 11.870 ( -2.258 -9.031 -10.720) 14.198 12.060 ( 0.443 3.571 3.165) 4.793 12.163 ( 1.855 5.800 -6.145) 8.651 12.624 ( -8.018 5.988 0.231) 10.010 12.740 ( -7.993 7.023 -10.371) 14.859 13.400 ( 4.712 5.623 10.380) 12.711 13.572 ( 1.995 2.306 -5.784) 6.539 13.832 ( -0.781 -1.178 3.279) 3.571 13.909 ( 2.136 0.544 -3.603) 4.224 14.253 ( -4.943 6.760 2.751) 8.815 14.298 ( -3.266 10.487 -2.594) 11.286 14.687 ( 0.793 0.873 7.106) 7.203 14.797 ( -1.075 7.765 -4.000) 8.801 15.161 ( -0.126 7.214 5.882) 9.309 15.228 ( 2.356 2.412 -1.068) 3.537 15.850 ( -4.412 -3.955 4.803) 7.627 15.877 ( -7.011 -4.561 2.570) 8.750 21.126 ( 24.199 -0.562 2.646) 24.350 21.204 ( 28.987 -2.543 -5.658) 29.643 22.758 ( -3.320 -4.270 2.258) 5.861 22.780 ( -3.299 -5.995 -0.116) 6.843 22.936 ( 5.223 -6.021 4.286) 9.050 23.004 ( 3.247 -4.144 -2.663) 5.900 23.503 ( -1.038 -1.055 2.330) 2.760 23.556 ( -0.564 -1.481 -3.148) 3.524 23.659 ( 1.091 1.942 0.423) 2.267 23.663 ( 1.007 1.692 -0.225) 1.981 23.857 ( -0.033 4.927 2.574) 5.558 23.928 ( 0.107 3.767 -4.870) 6.158 25.871 ( -1.497 9.903 -0.662) 10.037 25.882 ( -1.403 10.451 -1.985) 10.730 26.470 ( -3.631 5.242 3.883) 7.466 26.559 ( -4.513 4.984 -5.002) 8.380 27.072 ( 3.307 9.729 0.649) 10.296 27.091 ( 2.574 8.279 -0.941) 8.721 28.205 ( -5.656 -2.961 2.044) 6.704 28.241 ( -6.516 -4.910 -1.532) 8.302 ======================= Grid point 205 (71/80) ======================= q-point: ( 0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.745 4.571 6.956) 8.357 2.161 ( -3.221 -0.604 -3.976) 5.153 2.510 ( 6.295 13.752 2.991) 15.417 2.621 ( 1.446 9.987 -7.030) 12.298 2.887 ( 7.867 15.386 11.507) 20.761 3.014 ( -1.118 -1.682 -3.612) 4.138 3.198 ( 0.994 10.493 4.422) 11.430 3.430 ( 1.186 18.087 -15.504) 23.852 3.692 ( 0.479 4.368 3.500) 5.617 3.822 ( -5.539 2.902 -8.902) 10.879 3.924 ( -0.761 6.801 1.272) 6.960 3.967 ( -1.018 8.117 -1.849) 8.387 4.175 ( -6.321 17.536 3.602) 18.985 4.221 ( -5.575 14.398 -1.209) 15.487 4.496 ( -1.175 -0.534 3.557) 3.784 4.599 ( -2.349 3.296 -4.676) 6.185 4.855 ( 1.761 12.504 4.175) 13.300 4.912 ( 4.552 3.366 -1.993) 6.002 5.200 ( 1.836 7.589 4.385) 8.954 5.297 ( -8.042 5.906 1.128) 10.041 5.367 ( 6.427 11.670 -0.098) 13.323 5.525 ( -2.067 4.595 -10.012) 11.208 5.744 ( -8.771 -5.880 1.904) 10.730 5.802 ( -10.362 -5.095 -3.835) 12.167 6.223 ( -12.029 -0.574 8.790) 14.909 6.404 ( -12.757 0.141 -9.409) 15.852 6.743 ( 1.203 -10.015 4.912) 11.219 6.807 ( 3.214 -6.679 -1.230) 7.514 6.903 ( -6.264 -3.564 5.018) 8.782 7.007 ( -9.804 -2.190 -4.458) 10.990 7.298 ( 2.412 2.524 6.114) 7.041 7.382 ( 1.450 1.300 -3.187) 3.735 7.574 ( 6.159 4.424 6.180) 9.782 7.622 ( 2.417 8.469 -0.805) 8.844 7.704 ( 10.642 6.654 7.177) 14.458 7.904 ( 13.071 0.408 -10.369) 16.689 8.127 ( 6.221 11.428 2.405) 13.232 8.178 ( 6.860 5.828 -2.078) 9.238 8.548 ( -6.064 -2.800 6.724) 9.478 8.622 ( -3.752 -0.003 4.841) 6.125 8.721 ( -1.205 2.063 2.026) 3.132 8.808 ( -1.007 -0.825 -10.888) 10.966 9.005 ( -1.701 9.339 3.273) 10.041 9.057 ( 3.976 7.948 -1.879) 9.083 9.219 ( -0.938 7.075 2.702) 7.631 9.399 ( 10.539 10.333 -15.431) 21.353 9.550 ( 5.210 -0.233 10.143) 11.406 9.670 ( 5.732 -6.605 -2.919) 9.220 9.813 ( -1.064 -7.169 8.554) 11.211 10.065 ( -6.154 -2.395 -14.999) 16.388 10.506 ( -6.062 -7.554 10.103) 13.996 10.689 ( -7.659 -8.033 -9.046) 14.319 10.927 ( 3.411 -7.617 10.488) 13.404 11.107 ( 3.276 -5.138 3.892) 7.230 11.143 ( 7.987 -3.597 -4.642) 9.913 11.205 ( 4.918 -13.749 -4.216) 15.199 11.379 ( 2.085 -6.166 3.786) 7.530 11.444 ( 0.408 -16.028 -3.599) 16.432 11.566 ( -6.170 -5.432 4.486) 9.365 11.771 ( -7.476 -11.176 -14.142) 19.514 12.094 ( 2.462 1.619 5.317) 6.079 12.206 ( 2.332 4.857 -4.356) 6.929 12.441 ( -10.215 5.457 -1.370) 11.662 12.550 ( -10.887 7.798 -10.456) 16.990 13.484 ( 3.632 5.146 6.926) 9.361 13.596 ( 0.319 2.584 -4.060) 4.824 13.796 ( -3.076 4.736 5.284) 7.734 13.873 ( -5.647 6.500 -1.853) 8.807 14.238 ( 4.087 0.703 4.167) 5.879 14.312 ( 4.964 2.169 -3.498) 6.449 14.689 ( -1.210 7.436 3.930) 8.497 14.736 ( -4.852 9.688 -0.623) 10.853 15.172 ( 1.256 7.055 6.645) 9.772 15.270 ( 1.523 3.345 -3.441) 5.035 15.714 ( -6.296 -6.631 9.515) 13.196 15.786 ( -4.246 -6.167 1.395) 7.616 21.679 ( 30.009 -0.647 4.548) 30.359 21.805 ( 29.523 -3.021 -8.780) 30.949 22.701 ( -2.695 -3.051 1.238) 4.255 22.714 ( -3.547 -4.060 0.038) 5.391 23.029 ( 3.945 -6.954 1.915) 8.221 23.061 ( 2.303 -5.338 -1.366) 5.971 23.486 ( -0.351 -2.640 3.283) 4.227 23.543 ( -0.776 -2.344 -2.548) 3.548 23.691 ( 2.279 1.545 0.586) 2.815 23.700 ( 3.116 0.977 -0.611) 3.322 23.850 ( -0.909 3.295 2.922) 4.497 23.922 ( -0.997 1.906 -4.529) 5.014 25.826 ( -2.936 12.960 -1.086) 13.332 25.844 ( -2.603 12.296 -2.592) 12.833 26.391 ( -4.001 3.371 2.357) 5.738 26.452 ( -5.964 3.448 -3.736) 7.836 27.158 ( 5.497 8.305 0.126) 9.961 27.170 ( 5.514 8.115 -0.737) 9.839 28.060 ( -8.795 -3.143 0.993) 9.393 28.077 ( -9.874 -4.449 -0.540) 10.844 ======================= Grid point 206 (72/80) ======================= q-point: ( 0.43 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 1.078 3.406 1.368) 3.825 2.096 ( -2.678 1.774 -2.032) 3.801 2.642 ( 5.069 0.411 -3.028) 5.919 2.689 ( 2.123 2.745 -8.661) 9.330 2.917 ( 0.140 16.353 6.089) 17.451 2.976 ( -3.088 14.844 -0.647) 15.176 3.357 ( 11.653 18.955 8.810) 23.931 3.480 ( -0.111 17.517 -4.735) 18.146 3.677 ( 1.961 6.335 3.533) 7.514 3.795 ( -0.265 5.110 -2.933) 5.898 3.881 ( 0.410 8.286 -3.706) 9.086 3.972 ( -0.915 9.946 -5.713) 11.506 4.068 ( -5.469 11.296 0.790) 12.575 4.089 ( -6.212 11.572 -0.436) 13.141 4.453 ( -0.401 -4.697 1.041) 4.828 4.510 ( -5.245 -3.428 -4.171) 7.527 4.935 ( 4.676 17.200 7.320) 19.269 5.007 ( -1.183 16.074 0.888) 16.142 5.189 ( 4.503 -6.233 2.400) 8.055 5.251 ( -0.286 -4.222 -3.115) 5.255 5.505 ( 6.703 8.797 0.141) 11.061 5.543 ( 0.348 1.212 -2.411) 2.721 5.596 ( -4.892 0.387 -0.607) 4.945 5.627 ( -5.195 -4.126 -3.851) 7.671 6.023 ( -5.414 6.242 3.367) 8.922 6.132 ( -13.853 5.519 -6.823) 16.399 6.747 ( 0.843 -10.487 5.866) 12.045 6.810 ( -4.718 -7.741 2.929) 9.527 6.869 ( 1.230 -5.826 -3.350) 6.833 6.883 ( -1.181 -3.876 -3.756) 5.525 7.342 ( 2.218 0.134 4.138) 4.697 7.379 ( -1.396 -0.005 0.089) 1.399 7.636 ( 1.719 8.841 1.363) 9.109 7.648 ( 0.394 9.456 -0.066) 9.465 7.953 ( 12.799 3.712 8.579) 15.849 8.076 ( 2.865 6.433 -2.886) 7.610 8.218 ( 3.469 8.157 2.831) 9.305 8.294 ( 0.244 -2.594 -3.788) 4.598 8.409 ( -2.100 3.996 6.725) 8.099 8.512 ( -7.101 1.689 -1.164) 7.391 8.724 ( 1.597 -3.395 2.408) 4.458 8.770 ( -2.561 -5.893 -2.671) 6.958 8.979 ( 0.380 14.010 -1.462) 14.091 9.031 ( -4.364 10.842 -5.542) 12.935 9.340 ( 10.153 6.338 9.687) 15.398 9.510 ( -5.750 10.215 7.919) 14.147 9.657 ( 11.114 1.039 -14.142) 18.017 9.801 ( 3.242 1.819 -6.824) 7.771 9.891 ( 4.905 -11.684 -0.255) 12.675 9.938 ( -2.936 -6.603 -7.211) 10.209 10.379 ( -3.895 -10.772 5.552) 12.729 10.479 ( -11.912 -10.882 -5.039) 16.902 11.021 ( 5.419 -8.405 14.634) 17.725 11.106 ( -2.854 -9.433 13.428) 16.657 11.304 ( 6.711 -5.607 -1.599) 8.890 11.352 ( 8.910 -9.017 -14.606) 19.340 11.416 ( 0.722 -3.892 4.203) 5.774 11.455 ( 0.148 -11.713 -0.896) 11.748 11.480 ( -1.296 -0.101 -1.757) 2.185 11.599 ( -10.333 -7.007 -13.517) 18.401 12.146 ( 3.499 0.274 3.354) 4.855 12.238 ( -2.648 5.255 2.093) 6.245 12.280 ( -1.859 0.893 -8.563) 8.808 12.365 ( -7.563 5.373 -9.255) 13.104 13.541 ( 2.575 7.517 2.985) 8.488 13.583 ( -1.605 6.477 -1.253) 6.790 13.747 ( -1.177 3.323 3.201) 4.761 13.769 ( -3.736 3.611 1.032) 5.297 14.358 ( 6.886 0.349 5.027) 8.532 14.416 ( 3.034 -0.925 0.275) 3.183 14.628 ( -3.118 12.413 -0.292) 12.802 14.652 ( -3.712 9.502 -1.312) 10.285 15.210 ( 2.744 7.186 6.223) 9.894 15.264 ( -2.190 6.817 1.168) 7.255 15.658 ( 0.500 -10.033 6.730) 12.091 15.707 ( -3.802 -8.872 1.798) 9.819 22.153 ( 16.817 0.663 2.271) 16.982 22.216 ( 11.115 0.169 -4.225) 11.892 22.646 ( -2.842 -2.995 0.587) 4.171 22.649 ( -2.743 -3.299 0.241) 4.297 23.075 ( 1.067 -5.441 -0.105) 5.545 23.084 ( 0.146 -4.735 -1.094) 4.862 23.498 ( 1.372 -4.737 2.281) 5.434 23.525 ( -1.220 -3.967 -0.576) 4.190 23.746 ( 3.207 0.902 1.563) 3.680 23.773 ( 2.995 0.602 -0.929) 3.193 23.826 ( -0.461 -0.094 1.981) 2.036 23.881 ( -3.372 -0.828 -3.262) 4.764 25.780 ( -1.202 15.401 -2.269) 15.614 25.792 ( -2.265 14.822 -3.306) 15.354 26.339 ( -1.080 1.904 0.266) 2.205 26.359 ( -3.216 2.036 -1.769) 4.198 27.263 ( 4.313 8.033 0.166) 9.119 27.271 ( 3.671 8.179 -0.632) 8.988 27.908 ( -5.484 -3.991 0.170) 6.785 27.910 ( -5.823 -4.468 0.105) 7.341 ======================= Grid point 210 (73/80) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.000 5.775 7.350) 9.347 2.293 ( 0.000 6.739 -6.225) 9.174 2.520 ( 0.000 -6.707 9.975) 12.020 2.708 ( 0.000 -7.365 -5.794) 9.371 3.230 ( 0.000 23.305 5.296) 23.900 3.286 ( 0.000 13.101 8.801) 15.782 3.398 ( 0.000 14.280 -11.365) 18.250 3.473 ( 0.000 -3.548 -4.227) 5.519 3.577 ( 0.000 4.348 -4.245) 6.076 3.729 ( 0.000 -8.699 -15.139) 17.461 4.058 ( 0.000 -3.264 -0.988) 3.411 4.099 ( 0.000 -2.803 -4.321) 5.151 4.510 ( 0.000 9.042 0.032) 9.042 4.526 ( 0.000 6.742 -1.646) 6.940 4.726 ( 0.000 4.858 4.793) 6.824 4.782 ( 0.000 -0.561 -1.497) 1.599 5.008 ( 0.000 5.456 5.941) 8.066 5.103 ( 0.000 6.352 -3.251) 7.136 5.444 ( 0.000 11.366 9.889) 15.066 5.623 ( 0.000 6.929 1.578) 7.107 5.634 ( 0.000 18.540 -2.898) 18.765 5.727 ( 0.000 12.024 -3.872) 12.632 5.895 ( 0.000 1.294 2.442) 2.764 5.973 ( 0.000 -1.494 -4.383) 4.630 6.326 ( 0.000 -8.685 12.210) 14.984 6.459 ( 0.000 -11.173 -1.213) 11.239 6.618 ( 0.000 -1.336 1.903) 2.325 6.713 ( 0.000 -2.661 -6.655) 7.167 7.081 ( 0.000 -5.975 3.266) 6.809 7.096 ( 0.000 -4.360 2.166) 4.869 7.193 ( 0.000 3.330 9.889) 10.434 7.291 ( 0.000 -0.388 3.526) 3.548 7.375 ( 0.000 1.007 -8.072) 8.135 7.388 ( 0.000 2.081 -5.674) 6.044 7.810 ( 0.000 9.863 1.408) 9.963 7.852 ( 0.000 8.512 -3.540) 9.218 8.163 ( 0.000 10.033 3.583) 10.654 8.226 ( 0.000 6.575 -2.931) 7.199 8.566 ( 0.000 -1.236 6.816) 6.927 8.579 ( 0.000 -0.521 13.885) 13.895 8.740 ( 0.000 -0.843 -9.426) 9.464 8.852 ( 0.000 2.081 -13.508) 13.667 9.209 ( 0.000 10.271 3.941) 11.001 9.256 ( 0.000 1.944 0.489) 2.005 9.350 ( 0.000 1.514 5.261) 5.475 9.404 ( 0.000 4.539 3.030) 5.457 9.521 ( 0.000 8.028 -3.285) 8.674 9.564 ( 0.000 13.406 -14.574) 19.802 9.832 ( 0.000 0.311 10.088) 10.093 10.027 ( 0.000 -9.770 -8.742) 13.110 10.450 ( 0.000 -14.585 -1.970) 14.717 10.497 ( 0.000 -18.473 -6.339) 19.530 10.670 ( 0.000 -7.127 12.366) 14.273 10.862 ( 0.000 -6.746 -6.326) 9.248 10.948 ( 0.000 -2.041 0.630) 2.136 10.954 ( 0.000 -2.011 0.243) 2.026 11.035 ( 0.000 -17.888 3.998) 18.329 11.101 ( 0.000 -12.440 -2.649) 12.719 11.802 ( 0.000 6.030 1.260) 6.161 11.896 ( 0.000 4.943 -7.162) 8.702 12.068 ( 0.000 -2.765 3.556) 4.504 12.174 ( 0.000 -2.846 -6.465) 7.064 12.770 ( 0.000 2.024 -1.977) 2.829 12.859 ( 0.000 -1.421 -10.394) 10.490 13.501 ( 0.000 7.589 7.337) 10.556 13.585 ( 0.000 1.076 -2.466) 2.691 13.814 ( 0.000 2.015 4.209) 4.667 13.879 ( 0.000 3.046 0.222) 3.055 14.429 ( 0.000 0.146 4.138) 4.140 14.466 ( 0.000 -4.342 1.092) 4.477 14.692 ( 0.000 8.129 3.920) 9.025 14.847 ( 0.000 0.704 -10.426) 10.449 15.313 ( 0.000 7.024 4.966) 8.602 15.320 ( 0.000 6.981 3.900) 7.996 15.826 ( 0.000 -2.549 4.297) 4.996 15.876 ( 0.000 -4.515 -0.720) 4.572 20.876 ( 0.000 0.093 0.302) 0.316 20.883 ( 0.000 -0.274 -0.466) 0.540 22.653 ( 0.000 -6.445 1.019) 6.525 22.664 ( 0.000 -6.596 -0.400) 6.609 22.898 ( 0.000 3.197 4.133) 5.225 22.960 ( 0.000 0.334 -1.996) 2.024 23.500 ( 0.000 -0.514 0.201) 0.552 23.531 ( 0.000 -1.771 -2.952) 3.442 23.675 ( 0.000 0.589 0.767) 0.967 23.676 ( 0.000 0.679 0.846) 1.084 23.941 ( 0.000 3.344 0.913) 3.466 23.978 ( 0.000 1.384 -2.979) 3.285 26.029 ( 0.000 5.748 0.430) 5.764 26.040 ( 0.000 5.242 -1.045) 5.345 26.621 ( 0.000 5.367 2.846) 6.075 26.687 ( 0.000 2.560 -3.601) 4.419 27.232 ( 0.000 8.620 -0.542) 8.637 27.232 ( 0.000 7.820 -0.182) 7.822 28.199 ( 0.000 -3.151 0.807) 3.253 28.211 ( 0.000 -4.344 -0.249) 4.351 ======================= Grid point 211 (74/80) ======================= q-point: ( 0.14 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -0.401 5.534 6.235) 8.346 2.267 ( -2.274 6.464 -6.477) 9.429 2.494 ( -1.879 -6.705 8.586) 11.054 2.683 ( -2.614 -7.178 -8.673) 11.558 3.187 ( -1.581 18.964 5.714) 19.869 3.265 ( -2.254 20.055 5.279) 20.860 3.310 ( -3.318 2.375 0.529) 4.115 3.546 ( 6.333 0.032 -8.836) 10.872 3.662 ( 3.361 7.470 -6.740) 10.608 3.788 ( 4.688 -4.852 -12.683) 14.365 4.035 ( -0.953 -3.607 0.414) 3.753 4.090 ( -1.238 -1.100 -4.105) 4.427 4.468 ( -4.702 6.786 0.266) 8.260 4.492 ( -2.806 7.748 -2.289) 8.553 4.651 ( -6.339 3.504 7.321) 10.299 4.764 ( -3.430 0.050 -4.055) 5.312 4.955 ( -4.331 4.150 5.271) 7.985 5.040 ( -5.525 5.148 -2.551) 7.971 5.430 ( -1.311 9.020 8.004) 12.131 5.556 ( -6.114 3.495 -2.301) 7.409 5.622 ( -0.913 17.444 6.050) 18.486 5.738 ( 0.273 10.342 -4.297) 11.203 5.858 ( -3.744 5.629 1.510) 6.927 5.928 ( -3.422 2.909 -5.848) 7.374 6.280 ( -4.415 -6.703 9.458) 12.405 6.425 ( -4.982 -11.070 -4.437) 12.925 6.628 ( 0.516 -0.426 0.265) 0.720 6.666 ( 0.315 -1.108 -4.227) 4.381 7.027 ( -7.621 -3.367 8.553) 11.940 7.141 ( -3.090 -6.765 -2.886) 7.977 7.266 ( 6.124 0.332 7.690) 9.836 7.312 ( 1.872 0.308 7.856) 8.082 7.423 ( 11.135 4.634 -3.503) 12.559 7.528 ( 10.677 -0.669 -7.568) 13.105 7.809 ( 0.690 9.589 1.184) 9.686 7.846 ( 0.434 7.880 -3.391) 8.590 8.196 ( 3.310 7.753 2.571) 8.814 8.240 ( 1.460 5.315 -1.835) 5.809 8.552 ( -1.449 -1.529 6.422) 6.759 8.599 ( 0.555 -2.104 11.604) 11.807 8.735 ( 0.471 0.458 -8.516) 8.542 8.862 ( 0.908 3.615 -12.652) 13.189 9.201 ( -0.143 9.068 3.632) 9.769 9.235 ( -1.362 3.557 0.790) 3.890 9.354 ( 0.083 5.668 5.423) 7.845 9.416 ( 1.314 1.051 2.057) 2.657 9.514 ( 0.009 5.771 -2.198) 6.176 9.591 ( 2.864 12.953 -14.600) 19.727 9.818 ( -1.448 1.405 10.046) 10.247 10.017 ( -1.223 -9.200 -9.264) 13.113 10.439 ( -0.438 -13.761 2.602) 14.012 10.554 ( 3.908 -17.596 -8.721) 20.023 10.635 ( -3.117 -8.949 11.650) 15.017 10.840 ( -2.663 -9.153 -9.015) 13.120 10.944 ( 0.615 -7.618 7.258) 10.540 11.027 ( 2.970 -4.393 -2.162) 5.726 11.072 ( 6.849 -8.159 2.257) 10.889 11.136 ( 3.694 -10.034 -3.131) 11.142 11.731 ( -6.529 5.106 0.545) 8.307 11.829 ( -6.842 1.908 -9.366) 11.755 12.068 ( 1.056 -1.134 5.629) 5.838 12.184 ( 1.283 -2.975 -5.753) 6.603 12.712 ( -6.111 3.299 -1.895) 7.199 12.804 ( -6.003 -0.212 -10.378) 11.991 13.519 ( 1.927 5.809 6.154) 8.679 13.600 ( 1.116 0.603 -2.715) 2.997 13.871 ( 5.556 5.581 7.017) 10.548 13.968 ( 7.689 4.633 -1.025) 9.035 14.305 ( -9.581 -0.875 5.008) 10.846 14.371 ( -7.374 -2.481 -1.077) 7.854 14.759 ( 4.679 6.429 4.306) 9.043 14.893 ( 2.609 1.583 -8.486) 9.018 15.288 ( -1.641 5.714 5.307) 7.969 15.309 ( -1.124 5.154 2.947) 6.042 15.784 ( -4.755 -2.668 3.278) 6.361 15.799 ( -6.703 -3.340 1.987) 7.748 21.121 ( 23.789 0.046 1.010) 23.810 21.159 ( 26.271 -2.008 -3.082) 26.527 22.641 ( -1.113 -5.529 1.026) 5.733 22.656 ( -0.981 -5.910 -0.641) 6.025 22.923 ( 2.588 2.266 3.885) 5.189 22.979 ( 1.864 0.005 -1.603) 2.459 23.486 ( -1.489 -0.541 0.731) 1.745 23.522 ( -0.988 -1.970 -2.932) 3.668 23.682 ( 0.817 0.592 0.779) 1.274 23.684 ( 0.858 0.534 0.686) 1.222 23.930 ( -1.238 2.797 1.030) 3.228 23.968 ( -1.112 0.807 -2.952) 3.256 26.031 ( 0.224 6.432 0.382) 6.447 26.045 ( 0.472 6.027 -1.190) 6.161 26.571 ( -5.001 4.871 2.649) 7.467 26.633 ( -5.397 2.323 -3.471) 6.825 27.249 ( 2.029 7.816 -0.088) 8.075 27.255 ( 2.418 8.001 -0.706) 8.388 28.143 ( -5.739 -3.221 0.578) 6.606 28.150 ( -6.142 -4.193 -0.059) 7.437 ======================= Grid point 212 (75/80) ======================= q-point: ( 0.29 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 2.246 6.275 1.712) 6.881 2.223 ( -2.329 8.168 -4.284) 9.513 2.494 ( 2.434 -8.360 2.894) 9.176 2.632 ( -1.751 -8.139 -10.800) 13.637 3.202 ( 1.825 17.256 3.836) 17.771 3.252 ( 2.034 15.392 -0.229) 15.527 3.344 ( 7.829 6.640 13.154) 16.685 3.623 ( -3.237 4.437 -10.417) 11.777 3.720 ( 9.813 0.493 -2.676) 10.183 3.832 ( -1.174 -1.852 -10.923) 11.141 4.073 ( 3.954 2.507 -1.205) 4.835 4.076 ( 1.188 5.061 0.067) 5.199 4.332 ( -9.314 3.424 3.882) 10.656 4.419 ( -5.436 7.386 -4.879) 10.388 4.501 ( -9.210 -0.318 6.886) 11.504 4.641 ( -8.898 -0.813 -6.607) 11.113 4.911 ( 1.124 1.057 2.880) 3.267 4.955 ( -1.514 0.681 -0.549) 1.748 5.378 ( -5.025 3.622 3.328) 7.032 5.409 ( -9.469 2.193 2.022) 9.928 5.598 ( -0.511 6.885 3.909) 7.933 5.687 ( -5.284 1.726 -3.167) 6.398 5.829 ( 1.446 21.539 1.431) 21.635 5.888 ( -1.422 17.293 -4.082) 17.825 6.174 ( -5.677 -4.052 3.191) 7.670 6.277 ( -7.931 -10.647 -6.632) 14.841 6.632 ( -1.627 -3.044 3.769) 5.111 6.723 ( 2.122 -4.719 -5.023) 7.211 6.854 ( -7.250 2.174 9.145) 11.870 6.994 ( -8.798 1.462 -5.124) 10.286 7.316 ( -0.549 -1.930 6.190) 6.507 7.348 ( 1.154 -4.709 2.236) 5.340 7.660 ( 10.949 4.489 4.384) 12.619 7.744 ( 8.765 2.212 -2.842) 9.476 7.862 ( 4.823 8.662 1.901) 10.094 7.918 ( 8.079 3.530 -4.778) 10.028 8.267 ( 2.850 2.765 2.165) 4.522 8.285 ( 3.038 3.032 0.473) 4.318 8.493 ( -4.459 -2.663 4.425) 6.823 8.554 ( -4.860 -5.884 2.550) 8.046 8.775 ( 2.247 5.983 -1.718) 6.618 8.867 ( -0.992 9.381 -7.820) 12.253 9.229 ( 2.399 6.093 1.503) 6.719 9.251 ( 3.603 7.572 -0.326) 8.392 9.359 ( 1.324 9.528 6.167) 11.426 9.455 ( 3.467 -1.058 -0.060) 3.625 9.561 ( 5.488 -3.224 0.757) 6.410 9.674 ( 6.038 9.686 -12.706) 17.080 9.778 ( -2.361 5.427 8.052) 9.993 9.974 ( -3.175 -6.312 -9.843) 12.116 10.386 ( -6.524 -5.116 8.301) 11.732 10.568 ( -4.891 -8.147 -9.489) 13.429 10.601 ( 0.684 -18.272 7.968) 19.945 10.785 ( -1.881 -21.430 -7.093) 22.652 10.921 ( -2.398 -14.006 6.469) 15.613 11.072 ( 0.581 -12.041 -4.848) 12.994 11.250 ( 9.087 -0.716 0.457) 9.127 11.269 ( 11.708 -0.003 -1.016) 11.752 11.614 ( -4.539 4.505 0.491) 6.414 11.698 ( -4.812 0.573 -8.438) 9.731 12.103 ( 2.017 0.166 5.370) 5.738 12.218 ( 1.981 -3.009 -4.822) 6.019 12.541 ( -11.301 4.385 -2.810) 12.443 12.633 ( -11.285 0.922 -10.562) 15.484 13.575 ( 3.872 4.192 4.053) 7.000 13.629 ( 2.114 1.028 -1.556) 2.819 13.928 ( -2.525 8.387 7.089) 11.268 14.015 ( -7.480 7.409 -1.573) 10.645 14.233 ( 6.920 -0.684 7.114) 9.948 14.324 ( 4.934 -1.318 -1.702) 5.383 14.816 ( 0.468 5.080 3.466) 6.168 14.885 ( -3.786 4.242 -3.008) 6.432 15.275 ( 0.278 3.601 4.527) 5.791 15.308 ( 2.225 0.991 0.454) 2.478 15.627 ( -8.989 -1.762 6.792) 11.403 15.688 ( -6.245 -3.847 0.332) 7.342 21.675 ( 30.779 0.388 1.721) 30.829 21.745 ( 31.092 -3.072 -5.690) 31.757 22.610 ( -2.369 -4.666 0.724) 5.282 22.624 ( -2.442 -4.797 -0.832) 5.447 22.991 ( 4.231 1.492 2.914) 5.349 23.029 ( 3.386 0.507 -0.886) 3.537 23.444 ( -2.863 -1.529 2.113) 3.873 23.490 ( -2.475 -3.039 -2.523) 4.661 23.707 ( 1.803 0.310 0.695) 1.957 23.711 ( 2.093 0.150 0.159) 2.104 23.890 ( -2.988 1.342 1.224) 3.496 23.930 ( -3.031 -0.621 -2.776) 4.157 26.038 ( 0.563 8.784 0.106) 8.803 26.056 ( 0.633 8.600 -1.648) 8.780 26.452 ( -6.638 2.885 1.873) 7.476 26.501 ( -7.673 1.318 -2.968) 8.332 27.315 ( 4.951 7.518 0.296) 9.006 27.328 ( 5.213 7.411 -1.037) 9.120 27.991 ( -9.879 -4.125 0.345) 10.712 27.993 ( -9.388 -3.637 0.053) 10.068 ======================= Grid point 213 (76/80) ======================= q-point: ( 0.43 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.689 7.824 -2.260) 8.173 2.188 ( -0.934 8.782 -3.045) 9.342 2.546 ( 2.090 -8.500 -3.062) 9.273 2.594 ( -2.917 -9.108 -8.103) 12.534 3.269 ( 4.568 17.779 2.918) 18.587 3.304 ( 1.599 16.021 -0.906) 16.126 3.560 ( 9.462 3.220 4.680) 11.036 3.599 ( 1.722 0.535 -2.999) 3.500 3.807 ( 3.424 5.362 2.873) 6.981 3.950 ( 13.103 1.572 -5.224) 14.194 4.029 ( -10.831 11.014 10.608) 18.739 4.149 ( -2.932 6.202 -0.500) 6.878 4.170 ( 0.077 3.510 -0.506) 3.547 4.271 ( -8.729 4.834 -8.164) 12.892 4.362 ( -1.893 -2.764 2.291) 4.059 4.456 ( -9.183 -2.620 -6.211) 11.392 4.989 ( 7.107 -2.900 2.563) 8.092 5.031 ( 8.276 -5.109 -1.699) 9.873 5.192 ( -11.892 -1.645 3.406) 12.479 5.229 ( -10.017 -3.689 -1.268) 10.750 5.635 ( 2.543 6.831 0.040) 7.289 5.653 ( 4.165 7.174 -1.419) 8.416 5.781 ( -6.002 15.460 1.428) 16.646 5.828 ( -6.091 17.139 -2.690) 18.387 6.130 ( 2.974 4.390 1.461) 5.500 6.205 ( -1.861 2.737 -5.598) 6.503 6.551 ( -2.257 -9.701 6.623) 11.961 6.634 ( -8.268 -10.989 -0.322) 13.756 6.854 ( 2.951 7.166 -0.454) 7.763 6.895 ( -1.926 7.222 -3.472) 8.241 7.313 ( 0.630 -4.649 4.441) 6.460 7.337 ( -1.484 -5.773 1.802) 6.227 7.802 ( 4.020 7.879 2.363) 9.156 7.830 ( 1.062 8.761 -0.797) 8.861 7.996 ( 8.529 1.124 4.933) 9.917 8.080 ( 4.367 -3.915 -2.527) 6.386 8.259 ( -1.577 1.027 2.618) 3.225 8.313 ( -2.257 0.706 -1.328) 2.712 8.436 ( -0.378 -3.350 3.095) 4.576 8.463 ( -2.982 -5.667 0.128) 6.405 8.799 ( 0.972 11.423 -0.087) 11.465 8.830 ( -2.221 13.109 -2.571) 13.542 9.265 ( 1.313 11.241 -1.455) 11.411 9.284 ( -0.467 10.803 -3.130) 11.257 9.443 ( 6.114 2.924 8.473) 10.850 9.519 ( -0.042 -5.746 2.767) 6.378 9.687 ( 5.961 -4.034 3.775) 8.128 9.745 ( 0.329 4.740 5.022) 6.913 9.856 ( 9.715 5.765 -13.456) 17.570 9.919 ( -1.128 0.948 -9.493) 9.607 10.236 ( -5.370 -1.902 5.040) 7.606 10.357 ( -14.128 -0.272 -7.451) 15.974 10.653 ( 3.971 -23.626 8.227) 25.331 10.736 ( -4.148 -26.145 6.320) 27.216 10.929 ( 3.838 -20.010 -7.762) 21.803 11.024 ( -4.893 -19.995 -10.186) 22.967 11.431 ( 8.728 4.801 4.691) 11.011 11.500 ( 11.027 3.359 -0.958) 11.567 11.548 ( -3.606 6.069 3.773) 8.005 11.642 ( -3.473 3.036 -4.433) 6.398 12.156 ( 4.667 1.043 1.448) 4.996 12.271 ( 4.245 -2.481 -5.739) 7.557 12.314 ( -11.125 3.101 -4.273) 12.314 12.413 ( -10.359 -0.414 -10.232) 14.566 13.665 ( 5.205 5.060 2.360) 7.633 13.685 ( 3.427 3.901 0.245) 5.198 13.824 ( -5.662 3.963 3.307) 7.661 13.845 ( -7.833 3.307 1.102) 8.574 14.413 ( 8.896 5.841 5.845) 12.142 14.463 ( 5.322 5.333 1.308) 7.647 14.768 ( -3.740 1.324 2.901) 4.915 14.790 ( -4.786 2.897 -0.043) 5.595 15.312 ( 3.676 3.648 5.427) 7.502 15.368 ( 1.180 3.472 0.057) 3.667 15.493 ( -2.552 -5.454 5.824) 8.377 15.563 ( -6.451 -5.495 -0.835) 8.515 22.177 ( 18.882 1.868 0.799) 18.991 22.223 ( 15.858 0.360 -3.947) 16.346 22.538 ( -4.782 -6.107 0.270) 7.762 22.554 ( -4.976 -5.900 -1.292) 7.826 23.073 ( 3.923 4.064 1.499) 5.844 23.096 ( 2.371 4.361 -0.741) 5.019 23.393 ( -1.343 -5.927 2.749) 6.670 23.426 ( -3.813 -6.140 -0.687) 7.260 23.752 ( 2.905 -0.023 0.778) 3.007 23.768 ( 3.679 -0.774 -0.951) 3.878 23.822 ( -3.717 -0.188 1.102) 3.882 23.854 ( -4.540 -1.704 -2.135) 5.298 26.054 ( 0.978 12.473 -0.811) 12.537 26.065 ( 0.046 12.682 -1.860) 12.818 26.353 ( -2.673 -0.728 0.436) 2.804 26.374 ( -4.652 -0.888 -1.633) 5.010 27.426 ( 5.439 8.590 0.334) 10.173 27.437 ( 4.741 8.582 -0.780) 9.835 27.812 ( -6.943 -5.630 0.445) 8.950 27.819 ( -7.212 -5.400 -0.262) 9.013 ======================= Grid point 217 (77/80) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 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| 2.287 ( 0.000 -8.505 1.462) 8.629 2.287 ( 0.000 8.505 1.462) 8.630 2.533 ( 0.000 -9.556 -1.256) 9.638 2.533 ( 0.000 9.556 -1.256) 9.638 3.362 ( 0.000 -4.774 5.086) 6.975 3.362 ( 0.000 4.774 5.086) 6.975 3.516 ( 0.000 -9.562 -7.407) 12.095 3.516 ( 0.000 9.562 -7.407) 12.095 3.795 ( 0.000 -0.189 -5.140) 5.143 3.795 ( 0.000 0.189 -5.140) 5.143 3.929 ( 0.000 -2.392 -4.867) 5.423 3.929 ( 0.000 2.392 -4.867) 5.423 4.618 ( 0.000 -0.919 -1.756) 1.982 4.618 ( 0.000 0.919 -1.756) 1.982 4.722 ( 0.000 -1.952 0.435) 1.999 4.722 ( 0.000 1.952 0.435) 1.999 5.124 ( 0.000 -3.666 3.541) 5.097 5.124 ( 0.000 3.666 3.541) 5.097 5.619 ( 0.000 -6.539 4.768) 8.092 5.619 ( 0.000 6.539 4.768) 8.092 5.780 ( 0.000 -3.572 1.562) 3.899 5.780 ( 0.000 3.572 1.562) 3.899 6.005 ( 0.000 -0.265 -4.056) 4.065 6.005 ( 0.000 0.265 -4.056) 4.065 6.326 ( 0.000 -5.725 6.752) 8.852 6.326 ( 0.000 5.725 6.752) 8.852 6.643 ( 0.000 -4.265 -4.772) 6.401 6.643 ( 0.000 4.265 -4.772) 6.401 7.011 ( 0.000 -1.701 3.120) 3.553 7.011 ( 0.000 1.701 3.120) 3.553 7.255 ( 0.000 -2.942 6.636) 7.259 7.255 ( 0.000 2.942 6.636) 7.259 7.398 ( 0.000 -0.788 -6.684) 6.730 7.398 ( 0.000 0.788 -6.684) 6.730 7.929 ( 0.000 -1.291 -1.273) 1.812 7.929 ( 0.000 1.291 -1.273) 1.812 8.266 ( 0.000 -1.251 0.480) 1.340 8.266 ( 0.000 1.251 0.480) 1.340 8.568 ( 0.000 -0.966 10.368) 10.413 8.568 ( 0.000 0.966 10.368) 10.413 8.811 ( 0.000 -6.384 -7.639) 9.956 8.811 ( 0.000 6.384 -7.639) 9.956 9.284 ( 0.000 -3.013 2.752) 4.081 9.284 ( 0.000 3.013 2.752) 4.081 9.463 ( 0.000 -5.212 3.499) 6.277 9.463 ( 0.000 5.212 3.499) 6.277 9.590 ( 0.000 -6.567 -10.085) 12.035 9.590 ( 0.000 6.567 -10.085) 12.035 10.041 ( 0.000 -4.746 -2.443) 5.338 10.041 ( 0.000 4.746 -2.443) 5.338 10.125 ( 0.000 -1.024 -4.700) 4.811 10.125 ( 0.000 1.024 -4.700) 4.811 10.725 ( 0.000 -10.080 9.935) 14.153 10.725 ( 0.000 10.080 9.935) 14.153 10.869 ( 0.000 -5.081 -0.907) 5.161 10.869 ( 0.000 5.081 -0.907) 5.161 10.982 ( 0.000 -1.655 -4.675) 4.959 10.982 ( 0.000 1.655 -4.675) 4.959 11.923 ( 0.000 -5.206 -2.146) 5.631 11.923 ( 0.000 5.206 -2.146) 5.631 12.073 ( 0.000 -5.977 -1.008) 6.061 12.073 ( 0.000 5.977 -1.008) 6.061 12.811 ( 0.000 -2.678 -7.064) 7.554 12.811 ( 0.000 2.678 -7.064) 7.554 13.583 ( 0.000 -1.554 0.161) 1.562 13.583 ( 0.000 1.554 0.161) 1.562 13.891 ( 0.000 -3.227 6.767) 7.497 13.891 ( 0.000 3.227 6.767) 7.497 14.404 ( 0.000 -0.166 1.948) 1.955 14.404 ( 0.000 0.166 1.948) 1.955 14.820 ( 0.000 -4.038 -4.290) 5.892 14.820 ( 0.000 4.038 -4.290) 5.892 15.392 ( 0.000 -0.190 4.854) 4.857 15.392 ( 0.000 0.190 4.854) 4.857 15.813 ( 0.000 -1.582 1.327) 2.065 15.813 ( 0.000 1.582 1.327) 2.065 20.879 ( 0.000 -0.204 -0.084) 0.220 20.879 ( 0.000 0.204 -0.084) 0.220 22.595 ( 0.000 -0.411 -0.196) 0.455 22.595 ( 0.000 0.411 -0.196) 0.455 22.949 ( 0.000 -1.771 1.335) 2.217 22.949 ( 0.000 1.771 1.335) 2.217 23.503 ( 0.000 -0.922 -1.772) 1.998 23.503 ( 0.000 0.922 -1.772) 1.998 23.680 ( 0.000 -0.084 1.064) 1.067 23.680 ( 0.000 0.084 1.064) 1.067 23.982 ( 0.000 -0.956 -0.938) 1.340 23.982 ( 0.000 0.956 -0.938) 1.340 26.088 ( 0.000 -0.313 0.152) 0.348 26.088 ( 0.000 0.313 0.152) 0.348 26.694 ( 0.000 -1.904 -0.347) 1.935 26.694 ( 0.000 1.904 -0.347) 1.935 27.318 ( 0.000 -0.227 -0.279) 0.360 27.318 ( 0.000 0.227 -0.279) 0.360 28.164 ( 0.000 -0.131 0.147) 0.197 28.164 ( 0.000 0.131 0.147) 0.197 ======================= Grid point 219 (78/80) ======================= q-point: ( 0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -0.759 -8.057 1.198) 8.181 2.265 ( -0.759 8.057 1.198) 8.181 2.506 ( -3.017 -9.515 -3.088) 10.449 2.506 ( -3.017 9.515 -3.088) 10.449 3.336 ( -1.478 -2.922 7.241) 7.947 3.336 ( -1.478 2.922 7.241) 7.947 3.506 ( 1.280 -8.612 -8.883) 12.439 3.506 ( 1.280 8.612 -8.883) 12.439 3.854 ( -1.978 -11.799 -1.971) 12.125 3.854 ( -1.978 11.799 -1.971) 12.125 3.936 ( 6.215 -12.075 -6.383) 15.006 3.936 ( 6.215 12.075 -6.383) 15.006 4.576 ( -4.637 -3.923 0.663) 6.110 4.576 ( -4.637 3.923 0.663) 6.110 4.670 ( -5.027 -6.257 -1.829) 8.232 4.670 ( -5.027 6.257 -1.829) 8.232 5.058 ( -5.969 -3.284 3.287) 7.564 5.058 ( -5.969 3.284 3.287) 7.564 5.556 ( -5.865 -4.850 5.188) 9.210 5.556 ( -5.865 4.850 5.188) 9.210 5.746 ( -3.239 -4.410 -0.513) 5.496 5.746 ( -3.239 4.410 -0.513) 5.496 6.014 ( 1.502 -2.228 -2.870) 3.931 6.014 ( 1.502 2.228 -2.870) 3.931 6.296 ( -3.966 -5.812 3.623) 7.914 6.296 ( -3.966 5.812 3.623) 7.914 6.641 ( 0.207 -2.059 -4.112) 4.603 6.641 ( 0.207 2.059 -4.112) 4.603 7.008 ( -1.916 -3.881 5.101) 6.690 7.008 ( -1.916 3.881 5.101) 6.690 7.295 ( 1.772 -1.852 7.062) 7.513 7.295 ( 1.772 1.852 7.062) 7.513 7.493 ( 10.495 -2.900 -6.510) 12.686 7.493 ( 10.495 2.900 -6.510) 12.686 7.923 ( 0.444 -1.108 -0.975) 1.541 7.923 ( 0.444 1.108 -0.975) 1.541 8.269 ( 0.561 -1.279 0.700) 1.562 8.269 ( 0.561 1.279 0.700) 1.562 8.550 ( -2.425 -1.679 7.069) 7.659 8.550 ( -2.425 1.679 7.069) 7.659 8.840 ( 3.772 -6.752 -5.375) 9.418 8.840 ( 3.772 6.752 -5.375) 9.418 9.273 ( -1.492 -2.568 1.636) 3.390 9.273 ( -1.492 2.568 1.636) 3.390 9.456 ( -0.176 -4.825 5.069) 7.001 9.456 ( -0.176 4.825 5.069) 7.001 9.603 ( 1.654 -9.093 -10.212) 13.773 9.603 ( 1.654 9.093 -10.212) 13.773 10.016 ( -2.184 -6.840 -1.104) 7.264 10.016 ( -2.184 6.840 -1.104) 7.264 10.164 ( 3.330 -8.646 -4.892) 10.477 10.164 ( 3.330 8.646 -4.892) 10.477 10.687 ( -3.590 -9.902 9.494) 14.180 10.687 ( -3.590 9.902 9.494) 14.180 10.879 ( 0.040 -6.270 -3.771) 7.317 10.879 ( 0.040 6.270 -3.771) 7.317 11.064 ( 8.204 -0.642 -2.323) 8.551 11.064 ( 8.204 0.642 -2.323) 8.551 11.826 ( -8.483 -3.637 -3.410) 9.840 11.826 ( -8.483 3.637 -3.410) 9.840 12.094 ( 2.116 -4.665 0.203) 5.126 12.094 ( 2.116 4.665 0.203) 5.126 12.767 ( -5.069 -2.764 -7.008) 9.080 12.767 ( -5.069 2.764 -7.008) 9.080 13.591 ( 0.955 -1.841 0.779) 2.215 13.591 ( 0.955 1.841 0.779) 2.215 13.991 ( 9.600 -4.235 7.058) 12.646 13.991 ( 9.600 4.235 7.058) 12.646 14.299 ( -9.191 -2.692 0.627) 9.598 14.299 ( -9.191 2.692 0.627) 9.598 14.866 ( 3.338 -3.949 -3.363) 6.168 14.866 ( 3.338 3.949 -3.363) 6.168 15.358 ( -3.051 -0.737 4.808) 5.742 15.358 ( -3.051 0.737 4.808) 5.742 15.761 ( -5.107 -0.438 1.831) 5.443 15.761 ( -5.107 0.438 1.831) 5.443 21.130 ( 24.399 -1.008 -0.875) 24.436 21.130 ( 24.399 1.008 -0.875) 24.436 22.591 ( -0.497 -0.482 -0.267) 0.742 22.591 ( -0.497 0.482 -0.267) 0.742 22.967 ( 1.923 -1.628 1.456) 2.910 22.967 ( 1.923 1.628 1.456) 2.910 23.490 ( -1.422 -1.090 -1.509) 2.342 23.490 ( -1.422 1.090 -1.509) 2.342 23.687 ( 0.750 -0.100 0.989) 1.245 23.687 ( 0.750 0.100 0.989) 1.245 23.966 ( -1.766 -1.007 -0.919) 2.231 23.966 ( -1.766 1.007 -0.919) 2.231 26.099 ( 1.144 -0.461 0.077) 1.236 26.099 ( 1.144 0.461 0.077) 1.236 26.638 ( -5.594 -1.838 -0.407) 5.902 26.638 ( -5.594 1.838 -0.407) 5.902 27.336 ( 1.972 -0.333 -0.309) 2.024 27.336 ( 1.972 0.333 -0.309) 2.024 28.106 ( -5.958 -0.021 0.132) 5.959 28.106 ( -5.958 0.021 0.132) 5.959 ======================= Grid point 221 (79/80) ======================= q-point: ( 0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 3.929 -9.263 1.108) 10.122 2.303 ( 3.929 9.263 1.108) 10.122 2.432 ( -3.458 -11.203 -7.234) 13.777 2.432 ( -3.458 11.203 -7.234) 13.777 3.371 ( 5.446 -0.402 4.621) 7.154 3.371 ( 5.446 0.402 4.621) 7.154 3.548 ( 1.539 -11.449 -1.811) 11.693 3.548 ( 1.539 11.449 -1.811) 11.693 3.791 ( -0.240 -4.914 -3.959) 6.315 3.791 ( -0.240 4.914 -3.959) 6.315 4.090 ( 7.928 -1.407 -3.667) 8.847 4.090 ( 7.928 1.407 -3.667) 8.847 4.424 ( -11.169 -5.747 5.945) 13.897 4.424 ( -11.169 5.747 5.945) 13.897 4.555 ( -6.935 -6.764 -6.971) 11.935 4.555 ( -6.935 6.764 -6.971) 11.935 4.953 ( -3.383 -1.697 2.104) 4.330 4.953 ( -3.383 1.697 2.104) 4.330 5.402 ( -10.578 -0.918 3.545) 11.194 5.402 ( -10.578 0.918 3.545) 11.194 5.698 ( -0.536 -2.614 -0.793) 2.784 5.698 ( -0.536 2.614 -0.793) 2.784 6.083 ( 5.836 -3.435 -2.386) 7.180 6.083 ( 5.836 3.435 -2.386) 7.180 6.154 ( -10.397 -4.414 0.172) 11.297 6.154 ( -10.397 4.414 0.172) 11.297 6.612 ( -5.049 -3.132 -0.434) 5.958 6.612 ( -5.049 3.132 -0.434) 5.958 6.984 ( 1.514 -6.358 2.941) 7.167 6.984 ( 1.514 6.358 2.941) 7.167 7.271 ( -3.652 -1.863 3.710) 5.530 7.271 ( -3.652 1.863 3.710) 5.530 7.728 ( 11.704 -2.553 -0.876) 12.011 7.728 ( 11.704 2.553 -0.876) 12.011 7.971 ( 3.852 -1.291 -0.767) 4.134 7.971 ( 3.852 1.291 -0.767) 4.134 8.289 ( 1.283 -1.537 2.251) 3.012 8.289 ( 1.283 1.537 2.251) 3.012 8.468 ( -5.605 -1.384 1.914) 6.083 8.468 ( -5.605 1.384 1.914) 6.083 8.958 ( 7.480 -7.203 -2.154) 10.606 8.958 ( 7.480 7.203 -2.154) 10.606 9.224 ( -3.404 -4.938 -0.880) 6.062 9.224 ( -3.404 4.938 -0.880) 6.062 9.490 ( 4.499 -2.369 7.844) 9.347 9.490 ( 4.499 2.369 7.844) 9.347 9.659 ( 4.027 -11.472 -9.334) 15.328 9.659 ( 4.027 11.472 -9.334) 15.328 9.968 ( -2.339 -7.037 -0.191) 7.418 9.968 ( -2.339 7.037 -0.191) 7.418 10.218 ( 1.311 -8.708 -2.611) 9.185 10.218 ( 1.311 8.708 -2.611) 9.185 10.606 ( -4.227 -12.063 7.487) 14.813 10.606 ( -4.227 12.063 7.487) 14.813 10.826 ( -6.387 -10.350 -8.913) 15.078 10.826 ( -6.387 10.350 -8.913) 15.078 11.272 ( 12.695 -1.034 0.769) 12.760 11.272 ( 12.695 1.034 0.769) 12.760 11.689 ( -4.203 -2.496 -2.396) 5.444 11.689 ( -4.203 2.496 -2.396) 5.444 12.138 ( 2.284 -3.893 0.091) 4.514 12.138 ( 2.284 3.893 0.091) 4.514 12.609 ( -11.190 -2.764 -7.539) 13.772 12.609 ( -11.190 2.764 -7.539) 13.772 13.629 ( 3.224 -1.319 1.212) 3.689 13.629 ( 3.224 1.319 1.212) 3.689 14.063 ( -9.472 -3.985 4.756) 11.323 14.063 ( -9.472 3.985 4.756) 11.323 14.261 ( 12.491 -4.248 2.406) 13.411 14.261 ( 12.491 4.248 2.406) 13.411 14.888 ( -2.406 -2.692 -0.795) 3.697 14.888 ( -2.406 2.692 -0.795) 3.697 15.314 ( -0.291 -0.778 3.732) 3.823 15.314 ( -0.291 0.778 3.732) 3.823 15.636 ( -7.469 -1.881 1.952) 7.945 15.636 ( -7.469 1.881 1.952) 7.945 21.696 ( 31.352 -1.912 -1.855) 31.465 21.696 ( 31.352 1.912 -1.855) 31.465 22.568 ( -2.273 -0.535 -0.501) 2.389 22.568 ( -2.273 0.535 -0.501) 2.389 23.028 ( 4.651 -1.313 1.656) 5.109 23.028 ( 4.651 1.313 1.656) 5.109 23.442 ( -3.937 -1.510 -0.672) 4.270 23.442 ( -3.937 1.510 -0.672) 4.270 23.710 ( 1.679 -0.111 0.638) 1.800 23.710 ( 1.679 0.111 0.638) 1.800 23.912 ( -3.863 -1.082 -0.892) 4.109 23.912 ( -3.863 1.082 -0.892) 4.109 26.134 ( 2.642 -0.731 -0.176) 2.747 26.134 ( 2.642 0.731 -0.176) 2.747 26.497 ( -8.577 -1.608 -0.609) 8.748 26.497 ( -8.577 1.608 -0.609) 8.748 27.403 ( 5.227 -0.527 -0.289) 5.262 27.403 ( 5.227 0.527 -0.289) 5.262 27.948 ( -10.134 -0.243 0.085) 10.137 27.948 ( -10.134 0.243 0.085) 10.137 ======================= Grid point 223 (80/80) ======================= q-point: ( 0.43 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 1.961 -7.480 -2.823) 8.232 2.351 ( 1.961 7.480 -2.823) 8.232 2.398 ( -1.835 -8.432 -6.119) 10.579 2.398 ( -1.835 8.432 -6.119) 10.579 3.496 ( 5.916 -0.579 0.403) 5.958 3.496 ( 5.916 0.579 0.403) 5.958 3.559 ( -0.454 -2.038 -1.332) 2.477 3.559 ( -0.454 2.038 -1.332) 2.477 3.906 ( 11.498 -4.912 4.192) 13.187 3.906 ( 11.498 4.912 4.192) 13.187 4.168 ( -13.310 -4.087 7.572) 15.849 4.168 ( -13.310 4.087 7.572) 15.849 4.241 ( 6.616 -1.802 -4.927) 8.444 4.241 ( 6.616 1.802 -4.927) 8.444 4.399 ( -8.851 -2.961 -6.725) 11.504 4.399 ( -8.851 2.961 -6.725) 11.504 4.972 ( 5.813 -1.126 0.242) 5.926 4.972 ( 5.813 1.126 0.242) 5.926 5.163 ( -12.986 -0.988 1.217) 13.080 5.163 ( -12.986 0.988 1.217) 13.080 5.753 ( 6.413 -0.847 -0.688) 6.505 5.753 ( 6.413 0.847 -0.688) 6.505 5.930 ( -11.389 -2.670 -1.265) 11.766 5.930 ( -11.389 2.670 -1.265) 11.766 6.243 ( 10.102 -4.337 -0.912) 11.031 6.243 ( 10.102 4.337 -0.912) 11.031 6.449 ( -10.691 -4.325 0.226) 11.535 6.449 ( -10.691 4.325 0.226) 11.535 7.067 ( 5.965 -3.914 1.886) 7.380 7.067 ( 5.965 3.914 1.886) 7.380 7.181 ( -5.501 -2.616 2.524) 6.594 7.181 ( -5.501 2.616 2.524) 6.594 7.912 ( 7.664 -2.695 0.628) 8.148 7.912 ( 7.664 2.695 0.628) 8.148 8.008 ( -1.494 -2.984 -0.296) 3.350 8.008 ( -1.494 2.984 -0.296) 3.350 8.315 ( 1.799 -3.882 3.135) 5.304 8.315 ( 1.799 3.882 3.135) 5.304 8.369 ( -4.020 -2.691 0.619) 4.877 8.369 ( -4.020 2.691 0.619) 4.877 9.079 ( 4.785 -9.312 -1.276) 10.547 9.079 ( 4.785 9.312 -1.276) 10.547 9.155 ( -3.604 -8.833 -1.648) 9.682 9.155 ( -3.604 8.833 -1.648) 9.682 9.617 ( 7.221 -4.605 5.118) 9.978 9.617 ( 7.221 4.605 5.118) 9.978 9.709 ( -1.053 -10.599 -2.727) 10.994 9.709 ( -1.053 10.599 -2.727) 10.994 9.988 ( 6.654 -8.918 0.154) 11.127 9.988 ( 6.654 8.918 0.154) 11.127 10.163 ( -7.866 -8.666 2.459) 11.959 10.163 ( -7.866 8.666 2.459) 11.959 10.569 ( 1.577 -15.110 -2.027) 15.327 10.569 ( 1.577 15.110 -2.027) 15.327 10.668 ( -8.093 -15.124 -10.189) 19.951 10.668 ( -8.093 15.124 -10.189) 19.951 11.510 ( 10.837 -2.372 3.611) 11.667 11.510 ( 10.837 2.372 3.611) 11.667 11.642 ( -2.997 -3.056 1.526) 4.544 11.642 ( -2.997 3.056 1.526) 4.544 12.201 ( 5.442 -3.735 -3.891) 7.662 12.201 ( 5.442 3.735 -3.891) 7.662 12.374 ( -12.020 -3.055 -7.894) 14.701 12.374 ( -12.020 3.055 -7.894) 14.701 13.720 ( 6.338 -0.508 1.498) 6.532 13.720 ( 6.338 0.508 1.498) 6.532 13.871 ( -9.340 -0.677 2.159) 9.610 13.871 ( -9.340 0.677 2.159) 9.610 14.527 ( 13.742 -2.573 4.420) 14.662 14.527 ( 13.742 2.573 4.420) 14.662 14.761 ( -10.166 -2.073 2.966) 10.791 14.761 ( -10.166 2.073 2.966) 10.791 15.366 ( 5.200 -2.250 1.643) 5.899 15.366 ( 5.200 2.250 1.643) 5.899 15.490 ( -7.393 -2.826 1.356) 8.031 15.490 ( -7.393 2.826 1.356) 8.031 22.215 ( 20.822 -1.532 -1.728) 20.950 22.215 ( 20.822 1.532 -1.728) 20.950 22.479 ( -7.939 -0.767 -0.987) 8.037 22.479 ( -7.939 0.767 -0.987) 8.037 23.155 ( 8.609 -1.535 1.457) 8.865 23.155 ( 8.609 1.535 1.457) 8.865 23.327 ( -8.169 -1.855 0.537) 8.395 23.327 ( -8.169 1.855 0.537) 8.395 23.754 ( 3.034 -0.448 -0.071) 3.067 23.754 ( 3.034 0.448 -0.071) 3.067 23.828 ( -4.478 -0.925 -0.718) 4.629 23.828 ( -4.478 0.925 -0.718) 4.629 26.206 ( 5.146 -0.987 -0.549) 5.269 26.206 ( 5.146 0.987 -0.549) 5.269 26.333 ( -7.960 -1.270 -0.747) 8.095 26.333 ( -7.960 1.270 -0.747) 8.095 27.540 ( 9.057 -0.615 -0.157) 9.079 27.540 ( 9.057 0.615 -0.157) 9.079 27.738 ( -11.210 -0.503 -0.009) 11.221 27.738 ( -11.210 0.503 -0.009) 11.221 =================== 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 3/37632 10.0 880.082 703.331 722.695 0.000 0.000 -0.000 3/37632 20.0 71.457 75.002 72.150 0.000 0.000 -0.000 3/37632 30.0 19.364 25.668 19.871 0.000 0.000 -0.000 3/37632 40.0 9.132 14.077 9.691 0.000 0.000 0.000 3/37632 50.0 5.627 9.469 6.093 0.000 0.000 0.000 3/37632 60.0 4.010 7.075 4.377 0.000 0.000 0.000 3/37632 70.0 3.119 5.639 3.406 0.000 0.000 0.000 3/37632 80.0 2.566 4.699 2.794 0.000 0.000 0.000 3/37632 90.0 2.194 4.045 2.378 0.000 0.000 0.000 3/37632 100.0 1.928 3.568 2.079 0.000 0.000 0.000 3/37632 110.0 1.728 3.204 1.854 0.000 0.000 0.000 3/37632 120.0 1.574 2.919 1.680 0.000 0.000 0.000 3/37632 130.0 1.450 2.688 1.541 0.000 0.000 0.000 3/37632 140.0 1.349 2.496 1.427 0.000 0.000 0.000 3/37632 150.0 1.265 2.334 1.331 0.000 0.000 0.000 3/37632 160.0 1.194 2.195 1.250 0.000 0.000 0.000 3/37632 170.0 1.134 2.074 1.180 0.000 0.000 0.000 3/37632 180.0 1.081 1.967 1.118 0.000 0.000 0.000 3/37632 190.0 1.034 1.872 1.064 0.000 0.000 0.000 3/37632 200.0 0.993 1.787 1.015 0.000 0.000 0.000 3/37632 210.0 0.957 1.709 0.971 0.000 0.000 0.000 3/37632 220.0 0.924 1.639 0.931 0.000 0.000 0.000 3/37632 230.0 0.894 1.575 0.895 0.000 0.000 0.000 3/37632 240.0 0.866 1.516 0.861 0.000 0.000 0.000 3/37632 250.0 0.841 1.461 0.831 0.000 0.000 0.000 3/37632 260.0 0.818 1.411 0.802 0.000 0.000 0.000 3/37632 270.0 0.796 1.364 0.776 0.000 0.000 0.000 3/37632 280.0 0.775 1.320 0.751 0.000 0.000 0.000 3/37632 290.0 0.756 1.279 0.728 0.000 0.000 0.000 3/37632 300.0 0.738 1.241 0.706 0.000 0.000 0.000 3/37632 310.0 0.721 1.205 0.686 0.000 0.000 -0.000 3/37632 320.0 0.705 1.171 0.667 0.000 0.000 -0.000 3/37632 330.0 0.689 1.139 0.649 0.000 0.000 -0.000 3/37632 340.0 0.675 1.109 0.632 0.000 0.000 -0.000 3/37632 350.0 0.661 1.080 0.615 0.000 0.000 -0.000 3/37632 360.0 0.647 1.053 0.600 0.000 0.000 -0.000 3/37632 370.0 0.634 1.027 0.585 0.000 0.000 -0.000 3/37632 380.0 0.622 1.002 0.571 0.000 0.000 -0.000 3/37632 390.0 0.610 0.979 0.558 0.000 0.000 -0.000 3/37632 400.0 0.598 0.957 0.546 0.000 0.000 -0.000 3/37632 410.0 0.587 0.935 0.533 0.000 0.000 -0.000 3/37632 420.0 0.576 0.915 0.522 0.000 0.000 -0.000 3/37632 430.0 0.566 0.895 0.511 0.000 0.000 -0.000 3/37632 440.0 0.556 0.876 0.500 0.000 0.000 -0.000 3/37632 450.0 0.546 0.859 0.490 0.000 0.000 -0.000 3/37632 460.0 0.537 0.841 0.480 0.000 0.000 -0.000 3/37632 470.0 0.528 0.825 0.471 0.000 0.000 -0.000 3/37632 480.0 0.519 0.809 0.462 0.000 0.000 -0.000 3/37632 490.0 0.511 0.793 0.453 0.000 0.000 -0.000 3/37632 500.0 0.502 0.779 0.445 0.000 0.000 -0.000 3/37632 510.0 0.494 0.764 0.436 0.000 0.000 -0.000 3/37632 520.0 0.487 0.751 0.429 0.000 0.000 -0.000 3/37632 530.0 0.479 0.737 0.421 0.000 0.000 -0.000 3/37632 540.0 0.472 0.725 0.414 0.000 0.000 -0.000 3/37632 550.0 0.465 0.712 0.407 0.000 0.000 -0.000 3/37632 560.0 0.458 0.700 0.400 0.000 0.000 -0.000 3/37632 570.0 0.451 0.689 0.393 0.000 0.000 -0.000 3/37632 580.0 0.444 0.678 0.387 0.000 0.000 -0.000 3/37632 590.0 0.438 0.667 0.381 0.000 0.000 -0.000 3/37632 600.0 0.432 0.656 0.375 0.000 0.000 -0.000 3/37632 610.0 0.426 0.646 0.369 0.000 0.000 -0.000 3/37632 620.0 0.420 0.636 0.363 0.000 0.000 -0.000 3/37632 630.0 0.414 0.627 0.358 0.000 0.000 -0.000 3/37632 640.0 0.409 0.617 0.353 0.000 0.000 -0.000 3/37632 650.0 0.403 0.608 0.348 0.000 0.000 -0.000 3/37632 660.0 0.398 0.600 0.343 0.000 0.000 -0.000 3/37632 670.0 0.393 0.591 0.338 0.000 0.000 -0.000 3/37632 680.0 0.388 0.583 0.333 0.000 0.000 -0.000 3/37632 690.0 0.383 0.575 0.328 0.000 0.000 -0.000 3/37632 700.0 0.378 0.567 0.324 0.000 0.000 -0.000 3/37632 710.0 0.373 0.559 0.320 0.000 0.000 -0.000 3/37632 720.0 0.369 0.552 0.315 0.000 0.000 -0.000 3/37632 730.0 0.364 0.545 0.311 0.000 0.000 -0.000 3/37632 740.0 0.360 0.537 0.307 0.000 0.000 -0.000 3/37632 750.0 0.355 0.531 0.303 0.000 0.000 -0.000 3/37632 760.0 0.351 0.524 0.299 0.000 0.000 -0.000 3/37632 770.0 0.347 0.517 0.296 0.000 0.000 -0.000 3/37632 780.0 0.343 0.511 0.292 0.000 0.000 -0.000 3/37632 790.0 0.339 0.505 0.289 0.000 0.000 -0.000 3/37632 800.0 0.335 0.499 0.285 0.000 0.000 -0.000 3/37632 810.0 0.332 0.493 0.282 0.000 0.000 -0.000 3/37632 820.0 0.328 0.487 0.278 0.000 0.000 -0.000 3/37632 830.0 0.324 0.481 0.275 0.000 0.000 -0.000 3/37632 840.0 0.321 0.476 0.272 0.000 0.000 -0.000 3/37632 850.0 0.317 0.470 0.269 0.000 0.000 -0.000 3/37632 860.0 0.314 0.465 0.266 0.000 0.000 -0.000 3/37632 870.0 0.311 0.460 0.263 0.000 0.000 -0.000 3/37632 880.0 0.307 0.455 0.260 0.000 0.000 -0.000 3/37632 890.0 0.304 0.450 0.257 0.000 0.000 -0.000 3/37632 900.0 0.301 0.445 0.254 0.000 0.000 -0.000 3/37632 910.0 0.298 0.440 0.252 0.000 0.000 -0.000 3/37632 920.0 0.295 0.436 0.249 0.000 0.000 -0.000 3/37632 930.0 0.292 0.431 0.246 0.000 0.000 -0.000 3/37632 940.0 0.289 0.427 0.244 0.000 0.000 -0.000 3/37632 950.0 0.286 0.422 0.241 0.000 0.000 -0.000 3/37632 960.0 0.284 0.418 0.239 0.000 0.000 -0.000 3/37632 970.0 0.281 0.414 0.237 0.000 0.000 -0.000 3/37632 980.0 0.278 0.410 0.234 0.000 0.000 -0.000 3/37632 990.0 0.276 0.406 0.232 0.000 0.000 -0.000 3/37632 1000.0 0.273 0.402 0.230 0.000 0.000 -0.000 3/37632 Thermal conductivity related properties were written into "kappa-m787.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:22:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|